#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6p n MET 3 N 0.00 0.00 -3.59 0.00 0.00 -1.26 -5.13 117.12 107.15 3a6p n MET 3 Ca 0.00 0.07 -0.10 0.00 -0.00 0.00 0.00 57.70 57.66 3a6p n MET 3 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 33.22 32.66 3a6p n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3a6p s ASP 4 N -3.66 -0.45 0.02 6.12 2.15 -1.26 -5.17 116.67 114.41 3a6p s ASP 4 Ca 0.00 -0.23 -0.16 0.00 0.43 0.00 0.00 52.55 52.59 3a6p s ASP 4 Cb 0.00 0.65 -0.06 0.00 -0.30 0.00 0.00 42.92 43.21 3a6p s ASP 4 CO 0.00 -1.11 0.45 -1.58 -0.17 0.00 0.00 175.17 172.76 3a6p s GLN 5 N -3.81 4.00 0.23 4.34 0.74 -1.26 -5.01 119.66 118.89 3a6p s GLN 5 Ca 0.05 0.49 -0.12 0.00 0.05 0.00 0.00 55.36 55.83 3a6p s GLN 5 Cb -0.03 -3.23 0.32 0.00 1.10 0.00 0.00 33.01 31.17 3a6p s GLN 5 CO -0.06 0.67 1.44 0.28 -0.55 0.00 0.00 175.29 177.07 3a6p n VAL 6 N 1.84 -0.44 -0.35 1.34 0.31 -1.26 -0.85 118.33 118.91 3a6p n VAL 6 Ca -0.13 2.15 0.03 0.00 -0.01 0.00 0.00 64.34 66.37 3a6p n VAL 6 Cb 0.52 -2.90 0.19 0.00 -0.91 0.00 0.00 33.84 30.74 3a6p n VAL 6 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3a6p h ASN 7 N 0.00 1.01 0.44 4.52 2.35 -1.99 -2.77 115.58 119.14 3a6p h ASN 7 Ca 0.38 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.95 3a6p h ASN 7 Cb 0.61 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3a6p h ASN 7 CO -0.94 0.65 -0.80 0.00 -1.65 0.00 0.00 177.43 174.69 3a6p h ALA 8 N 1.47 0.58 0.13 -0.83 0.00 -1.41 -3.27 119.26 115.92 3a6p h ALA 8 Ca 0.41 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3a6p h ALA 8 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a6p h ALA 8 CO -0.16 0.83 -0.06 -0.07 0.00 0.00 0.00 179.25 179.80 3a6p h LEU 9 N 0.17 -0.14 -1.78 0.00 3.38 -1.32 -3.12 115.31 112.51 3a6p h LEU 9 Ca -0.04 -0.34 0.32 0.00 0.09 0.00 0.00 57.88 57.91 3a6p h LEU 9 Cb 1.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 3a6p h LEU 9 CO 0.13 0.29 0.93 0.00 0.09 0.00 0.00 178.44 179.89 3a6p h GLU 11 N 0.00 0.57 -0.02 0.00 4.81 -1.59 -2.85 114.58 115.50 3a6p h GLU 11 Ca 0.52 -0.64 -0.26 0.00 -0.13 0.00 0.00 59.36 58.86 3a6p h GLU 11 Cb 2.38 0.18 0.02 0.00 0.63 0.00 0.00 28.75 31.96 3a6p h GLU 11 CO -0.01 1.24 -1.00 1.96 -0.73 0.00 0.00 179.01 180.48 3a6p h GLN 12 N 0.17 0.69 -0.86 1.92 4.20 -0.75 -2.93 115.11 117.53 3a6p h GLN 12 Ca -0.11 -0.71 0.08 0.00 0.06 0.00 0.00 58.65 57.97 3a6p h GLN 12 Cb 1.57 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 29.47 3a6p h GLN 12 CO 0.17 1.30 0.52 -0.07 -0.67 0.00 0.00 178.83 180.08 3a6p h LEU 13 N 0.40 0.78 -1.02 1.46 3.38 -1.23 0.33 115.31 119.41 3a6p h LEU 13 Ca -0.12 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3a6p h LEU 13 Cb 1.65 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 3a6p h LEU 13 CO 0.20 0.47 0.66 0.58 0.09 0.00 0.00 178.44 180.44 3a6p h VAL 14 N 0.90 1.24 -0.05 1.22 2.07 -1.55 0.64 116.25 120.73 3a6p h VAL 14 Ca 0.40 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 3a6p h VAL 14 Cb 0.29 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3a6p h VAL 14 CO -0.22 0.25 -0.60 0.11 0.02 0.00 0.00 177.57 177.13 3a6p h LYS 15 N 1.34 0.16 0.00 1.57 1.79 -0.77 -2.57 116.57 118.09 3a6p h LYS 15 Ca 0.37 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3a6p h LYS 15 Cb -0.13 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3a6p h LYS 15 CO -0.09 0.71 -0.00 0.00 -1.08 0.00 0.00 179.45 178.99 3a6p h ALA 16 N 1.27 -0.00 -0.36 3.86 0.00 -0.11 -2.80 119.26 121.11 3a6p h ALA 16 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3a6p h ALA 16 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3a6p h ALA 16 CO 0.09 -0.16 0.24 -0.24 0.00 0.00 0.00 179.25 179.18 3a6p h VAL 17 N -0.68 0.94 -0.12 0.00 3.04 -0.90 -1.97 116.25 116.56 3a6p h VAL 17 Ca -0.00 -0.08 -0.13 0.00 -1.01 0.00 0.00 66.70 65.48 3a6p h VAL 17 Cb 0.67 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3a6p h VAL 17 CO 0.00 0.04 -0.42 0.74 -1.01 0.00 0.00 177.57 176.93 3a6p h THR 18 N 0.24 1.37 -0.44 3.17 2.02 -1.47 -2.56 112.91 115.22 3a6p h THR 18 Ca 0.16 -1.72 -0.12 0.00 0.77 0.00 0.00 66.41 65.49 3a6p h THR 18 Cb 0.33 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 3a6p h THR 18 CO -0.03 0.52 -0.21 0.58 0.37 0.00 0.00 175.52 176.75 3a6p h VAL 19 N 0.11 1.27 0.00 3.16 2.07 -1.18 -0.20 116.25 121.48 3a6p h VAL 19 Ca -0.02 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 3a6p h VAL 19 Cb 1.04 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3a6p h VAL 19 CO 0.09 0.46 -0.09 0.24 0.02 0.00 0.00 177.57 178.28 3a6p h MET 20 N 0.78 0.00 -0.01 1.57 2.86 -1.35 -2.27 114.93 116.51 3a6p h MET 20 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3a6p h MET 20 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3a6p h MET 20 CO 0.06 0.09 -0.71 -1.33 1.06 0.00 0.00 176.91 176.08 3a6p n MET 21 N -4.06 0.54 -2.03 1.72 2.81 -0.79 -4.87 117.12 110.44 3a6p n MET 21 Ca -0.02 -0.44 -0.43 0.00 -1.81 0.00 0.00 57.70 55.00 3a6p n MET 21 Cb 0.18 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 3a6p n MET 21 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3a6p s ASP 22 N -2.76 5.97 0.00 7.83 3.68 -0.15 -4.94 116.67 126.30 3a6p s ASP 22 Ca 0.13 1.31 0.00 0.00 2.13 0.00 0.00 52.55 56.13 3a6p s ASP 22 Cb 0.17 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 3a6p s ASP 22 CO 0.72 -1.64 0.87 -0.81 0.13 0.00 0.00 175.17 174.44 3a6p n PRO 23 N 8.34 0.00 -2.27 4.34 -0.04 -1.26 -2.61 135.00 141.50 3a6p n PRO 23 Ca 0.22 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 64.12 3a6p n PRO 23 Cb 0.47 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3a6p n PRO 23 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3a6p n ASN 24 N -2.44 7.40 -4.73 3.54 6.94 -1.26 -4.96 115.26 119.75 3a6p n ASN 24 Ca 0.00 -3.30 -0.36 0.00 -0.02 0.00 0.00 54.58 50.90 3a6p n ASN 24 Cb 0.00 -1.32 -0.07 0.00 -2.36 0.00 0.00 39.78 36.03 3a6p n ASN 24 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3a6p s SER 25 N -0.15 6.42 -0.32 0.53 0.15 -1.07 -5.01 113.70 114.24 3a6p s SER 25 Ca 0.47 0.49 -0.38 0.00 0.70 0.00 0.00 55.95 57.23 3a6p s SER 25 Cb 0.17 -2.18 -0.17 0.00 -1.71 0.00 0.00 66.02 62.13 3a6p s SER 25 CO -0.08 0.10 1.24 0.41 1.20 0.00 0.00 173.24 176.11 3a6p n THR 26 N 3.58 0.00 -0.15 6.45 -1.04 -1.26 -4.64 114.28 117.23 3a6p n THR 26 Ca -0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 3a6p n THR 26 Cb 0.52 -0.32 0.09 0.00 -1.82 0.00 0.00 70.33 68.80 3a6p n THR 26 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3a6p n GLN 27 N 2.86 -0.04 -0.01 -2.82 -0.06 -1.26 -0.46 117.38 115.60 3a6p n GLN 27 Ca 0.24 0.64 -0.16 0.00 -2.00 0.00 0.00 57.00 55.71 3a6p n GLN 27 Cb -0.02 -0.98 -0.11 0.00 -4.06 0.00 0.00 30.24 25.07 3a6p n GLN 27 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3a6p h ARG 28 N 0.00 0.31 -0.87 3.69 1.12 -2.01 -2.98 114.38 113.65 3a6p h ARG 28 Ca 0.23 -0.33 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 3a6p h ARG 28 Cb 0.42 0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 3a6p h ARG 28 CO -0.41 1.03 0.54 1.88 -3.11 0.00 0.00 179.97 179.90 3a6p h TYR 29 N -0.26 1.12 -0.00 2.20 0.99 -1.09 -2.36 116.97 117.56 3a6p h TYR 29 Ca -0.06 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.71 3a6p h TYR 29 Cb 1.18 -0.37 -0.05 0.00 1.00 0.00 0.00 36.73 38.49 3a6p h TYR 29 CO 0.16 0.73 -0.29 0.00 -0.00 0.00 0.00 178.16 178.76 3a6p h ARG 30 N 1.19 -0.42 -0.36 4.88 3.08 -1.33 -1.25 114.38 120.17 3a6p h ARG 30 Ca 0.31 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.44 3a6p h ARG 30 Cb -0.08 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 3a6p h ARG 30 CO -0.06 -0.28 0.09 -0.07 -1.07 0.00 0.00 179.97 178.58 3a6p h LEU 31 N -0.43 0.04 -1.38 3.04 3.38 -1.27 0.31 115.31 118.99 3a6p h LEU 31 Ca 0.06 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3a6p h LEU 31 Cb 0.52 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3a6p h LEU 31 CO -0.25 0.06 -0.08 -0.33 0.09 0.00 0.00 178.44 177.93 3a6p h GLU 32 N 0.22 0.31 0.09 1.13 3.07 -1.34 0.16 114.58 118.22 3a6p h GLU 32 Ca 0.17 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3a6p h GLU 32 Cb 0.18 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3a6p h GLU 32 CO -0.21 0.41 -0.05 0.00 -1.40 0.00 0.00 179.01 177.76 3a6p h ALA 33 N 1.63 -0.13 -1.01 3.43 0.00 0.10 -1.95 119.26 121.33 3a6p h ALA 33 Ca 0.06 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3a6p h ALA 33 Cb 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3a6p h ALA 33 CO 0.02 -0.40 0.64 1.25 0.00 0.00 0.00 179.25 180.76 3a6p h LEU 34 N -0.47 1.00 -0.59 0.00 5.85 0.34 -2.78 115.31 118.66 3a6p h LEU 34 Ca -0.01 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3a6p h LEU 34 Cb 0.39 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3a6p h LEU 34 CO 0.02 0.60 -0.35 0.50 -0.34 0.00 0.00 178.44 178.87 3a6p h LYS 35 N 1.11 0.73 -0.45 1.25 3.64 -0.68 -2.69 116.57 119.49 3a6p h LYS 35 Ca 0.46 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3a6p h LYS 35 Cb 0.28 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3a6p h LYS 35 CO -0.21 0.97 0.15 0.35 -2.27 0.00 0.00 179.45 178.45 3a6p h PHE 36 N 0.61 0.27 -0.09 1.91 3.57 -1.09 -2.75 116.94 119.37 3a6p h PHE 36 Ca 0.06 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.38 3a6p h PHE 36 Cb 0.89 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3a6p h PHE 36 CO 0.04 0.10 -0.78 0.00 -2.23 0.00 0.00 178.31 175.44 3a6p h GLU 38 N 0.35 0.10 0.03 0.00 3.07 -1.49 0.21 114.58 116.84 3a6p h GLU 38 Ca -0.05 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3a6p h GLU 38 Cb 1.38 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 3a6p h GLU 38 CO 0.14 0.21 -0.07 1.49 -1.40 0.00 0.00 179.01 179.39 3a6p h GLU 39 N -0.04 -0.12 -0.41 2.33 4.57 -1.44 -1.65 114.58 117.82 3a6p h GLU 39 Ca 0.02 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3a6p h GLU 39 Cb 0.15 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 3a6p h GLU 39 CO -0.00 -0.08 -0.30 0.35 -1.18 0.00 0.00 179.01 177.79 3a6p h PHE 40 N -0.13 -0.83 0.00 0.92 3.57 -1.00 0.65 116.94 120.12 3a6p h PHE 40 Ca 0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3a6p h PHE 40 Cb 0.15 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3a6p h PHE 40 CO -0.12 -0.37 0.00 1.63 -2.23 0.00 0.00 178.31 177.22 3a6p n LYS 41 N -5.41 0.08 -0.06 1.11 5.02 0.74 -2.73 118.16 116.90 3a6p n LYS 41 Ca 0.02 0.19 -0.08 0.00 -2.02 0.00 0.00 58.31 56.42 3a6p n LYS 41 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3a6p n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a6p n GLU 42 N -1.43 0.64 -0.05 1.97 1.02 -0.78 -4.91 120.64 117.10 3a6p n GLU 42 Ca 0.05 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.19 3a6p n GLU 42 Cb 0.17 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3a6p n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a6p n LYS 43 N -2.81 0.37 -1.66 3.49 5.02 0.16 -5.00 118.16 117.74 3a6p n LYS 43 Ca -0.22 0.15 -0.59 0.00 -2.02 0.00 0.00 58.31 55.62 3a6p n LYS 43 Cb 0.76 -1.15 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 3a6p n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a6p h PRO 45 N 5.35 -0.09 -2.16 0.00 0.13 -1.94 -3.34 132.00 129.95 3a6p h PRO 45 Ca -0.47 0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 3a6p h PRO 45 Cb 1.35 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.45 3a6p h PRO 45 CO 0.87 -0.06 -0.06 0.44 -0.23 0.00 0.00 178.00 178.97 3a6p n ILE 46 N -5.22 2.80 -0.04 -3.56 -5.35 -1.26 -4.59 119.36 102.14 3a6p n ILE 46 Ca -0.04 -1.42 -0.13 0.00 -0.27 0.00 0.00 62.75 60.89 3a6p n ILE 46 Cb 0.14 -1.99 -0.08 0.00 -1.74 0.00 0.00 39.64 35.98 3a6p n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a6p h VAL 48 N -0.16 1.08 -0.58 0.00 2.07 -1.95 -0.97 116.25 115.75 3a6p h VAL 48 Ca 0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3a6p h VAL 48 Cb 0.54 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3a6p h VAL 48 CO 0.02 0.11 0.33 -0.65 0.02 0.00 0.00 177.57 177.40 3a6p h PRO 49 N 0.62 0.79 -0.03 1.57 0.11 -1.94 -0.27 132.00 132.85 3a6p h PRO 49 Ca 0.19 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 3a6p h PRO 49 Cb -0.02 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3a6p h PRO 49 CO -0.07 0.57 -0.62 0.00 -0.21 0.00 0.00 178.00 177.68 3a6p h GLY 51 N 1.65 0.39 2.00 0.00 0.00 -0.49 -2.06 103.07 104.56 3a6p h GLY 51 Ca -0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3a6p h GLY 51 CO 0.09 0.54 -0.30 1.41 0.00 0.00 0.00 176.54 178.28 3a6p h LEU 52 N -0.17 0.00 0.10 3.11 3.38 -1.13 -1.77 115.31 118.82 3a6p h LEU 52 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a6p h LEU 52 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a6p h LEU 52 CO 0.08 0.30 -0.05 -0.09 0.09 0.00 0.00 178.44 178.77 3a6p h ARG 53 N 0.00 -0.13 0.00 1.13 2.43 -1.38 -3.25 114.38 113.19 3a6p h ARG 53 Ca -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3a6p h ARG 53 Cb 0.54 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3a6p h ARG 53 CO 0.04 0.36 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.66 3a6p h LEU 54 N -0.70 0.00 -0.15 3.80 3.38 -1.30 -1.53 115.31 118.81 3a6p h LEU 54 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a6p h LEU 54 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3a6p h LEU 54 CO 0.02 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3a6p n ALA 55 N -2.19 2.60 -1.77 1.53 0.00 -0.67 -2.84 120.51 117.17 3a6p n ALA 55 Ca -0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3a6p n ALA 55 Cb 0.34 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3a6p n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a6p s GLU 56 N -1.97 4.44 0.39 0.00 0.41 -0.58 -4.89 118.70 116.49 3a6p s GLU 56 Ca 0.30 1.57 0.13 0.00 -0.41 0.00 0.00 54.97 56.56 3a6p s GLU 56 Cb 0.14 -2.85 0.95 0.00 -1.78 0.00 0.00 34.13 30.60 3a6p s GLU 56 CO 0.23 0.09 1.86 1.57 -0.49 0.00 0.00 175.26 178.53 3a6p h LYS 57 N 3.15 0.53 0.00 1.61 2.10 -1.90 -1.86 116.57 120.21 3a6p h LYS 57 Ca -0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3a6p h LYS 57 Cb 1.21 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3a6p h LYS 57 CO 0.65 0.35 0.03 2.41 -2.00 0.00 0.00 179.45 180.89 3a6p n THR 58 N -4.55 1.51 -3.20 0.07 -1.04 -1.26 -4.72 114.28 101.09 3a6p n THR 58 Ca 0.18 0.60 -0.30 0.00 -2.04 0.00 0.00 64.05 62.49 3a6p n THR 58 Cb 0.58 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 3a6p n THR 58 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3a6p s GLN 59 N -3.19 3.75 0.32 -2.82 2.00 -0.70 -5.04 119.66 113.98 3a6p s GLN 59 Ca -0.01 0.27 -0.27 0.00 -2.00 0.00 0.00 55.36 53.35 3a6p s GLN 59 Cb 0.02 -2.55 -0.14 0.00 0.80 0.00 0.00 33.01 31.15 3a6p s GLN 59 CO 0.08 0.16 0.91 0.28 -0.50 0.00 0.00 175.29 176.22 3a6p n VAL 60 N -0.78 2.04 -0.12 1.34 0.31 -1.26 -4.65 118.33 115.21 3a6p n VAL 60 Ca 0.00 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.83 3a6p n VAL 60 Cb 0.53 -0.89 0.25 0.00 -0.91 0.00 0.00 33.84 32.83 3a6p n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a6p h ALA 61 N 1.69 1.37 -0.74 3.52 0.00 -1.96 1.00 119.26 124.14 3a6p h ALA 61 Ca -0.39 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.52 3a6p h ALA 61 Cb 1.35 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3a6p h ALA 61 CO 0.59 0.48 0.26 0.82 0.00 0.00 0.00 179.25 181.40 3a6p h ILE 62 N 0.78 0.63 0.04 0.00 5.03 -1.99 0.80 117.51 122.80 3a6p h ILE 62 Ca 0.19 -0.13 -0.13 0.00 -0.12 0.00 0.00 64.86 64.66 3a6p h ILE 62 Cb 0.14 0.20 0.01 0.00 -3.03 0.00 0.00 36.82 34.14 3a6p h ILE 62 CO -0.02 0.07 -0.55 0.58 -0.68 0.00 0.00 178.15 177.55 3a6p h VAL 63 N 0.39 1.50 -0.98 1.67 2.07 -1.58 -2.51 116.25 116.81 3a6p h VAL 63 Ca 0.41 -2.20 0.14 0.00 0.82 0.00 0.00 66.70 65.86 3a6p h VAL 63 Cb 0.64 2.86 -0.08 0.00 -1.52 0.00 0.00 31.29 33.18 3a6p h VAL 63 CO -0.42 0.62 0.62 0.03 0.02 0.00 0.00 177.57 178.44 3a6p h ARG 64 N -0.32 0.86 -0.35 1.57 3.08 -0.36 -0.66 114.38 118.21 3a6p h ARG 64 Ca -0.08 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3a6p h ARG 64 Cb 1.33 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3a6p h ARG 64 CO 0.11 0.57 -0.34 1.25 -1.07 0.00 0.00 179.97 180.48 3a6p h HIS 65 N 0.89 1.01 -0.65 3.04 2.76 -0.83 -1.60 115.15 119.77 3a6p h HIS 65 Ca 0.50 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3a6p h HIS 65 Cb 0.61 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3a6p h HIS 65 CO -0.00 1.10 0.32 0.35 -1.30 0.00 0.00 177.93 178.39 3a6p h PHE 66 N 0.63 0.93 -0.50 5.26 3.57 -0.95 -0.47 116.94 125.42 3a6p h PHE 66 Ca 0.05 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3a6p h PHE 66 Cb 0.93 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 3a6p h PHE 66 CO 0.07 0.70 0.13 0.78 -2.23 0.00 0.00 178.31 177.76 3a6p h GLY 67 N 0.90 0.63 2.00 2.40 0.00 -0.97 -2.27 103.07 105.76 3a6p h GLY 67 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3a6p h GLY 67 CO -0.03 -0.04 -0.20 1.41 0.00 0.00 0.00 176.54 177.68 3a6p h LEU 68 N 0.28 0.00 -0.33 3.11 3.38 -0.40 -2.72 115.31 118.62 3a6p h LEU 68 Ca 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.03 3a6p h LEU 68 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a6p h LEU 68 CO -0.29 0.20 -0.65 -0.61 0.09 0.00 0.00 178.44 177.18 3a6p h GLN 69 N 0.00 0.69 0.43 1.13 4.15 -0.62 -1.55 115.11 119.34 3a6p h GLN 69 Ca -0.00 -0.49 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 3a6p h GLN 69 Cb 0.41 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3a6p h GLN 69 CO 0.03 1.11 -0.21 0.82 -1.93 0.00 0.00 178.83 178.65 3a6p h ILE 70 N 0.50 0.58 -0.93 2.39 2.04 -1.13 -0.76 117.51 120.20 3a6p h ILE 70 Ca -0.02 -0.15 0.20 0.00 1.00 0.00 0.00 64.86 65.89 3a6p h ILE 70 Cb 1.24 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 3a6p h ILE 70 CO 0.13 0.03 0.60 -0.07 0.00 0.00 0.00 178.15 178.84 3a6p h LEU 71 N -0.66 0.53 -0.52 1.44 3.38 -1.42 0.13 115.31 118.20 3a6p h LEU 71 Ca -0.06 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3a6p h LEU 71 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3a6p h LEU 71 CO 0.10 0.21 -0.12 -0.08 0.09 0.00 0.00 178.44 178.64 3a6p h GLU 72 N 0.53 0.99 0.00 1.13 4.81 -1.07 -2.99 114.58 117.98 3a6p h GLU 72 Ca 0.50 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3a6p h GLU 72 Cb 1.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3a6p h GLU 72 CO -0.23 1.05 -0.23 1.25 -0.73 0.00 0.00 179.01 180.12 3a6p h HIS 73 N 0.86 0.00 -0.02 0.92 2.76 0.75 -0.51 115.15 119.91 3a6p h HIS 73 Ca 0.13 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.16 3a6p h HIS 73 Cb 0.68 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.65 3a6p h HIS 73 CO 0.05 0.23 -0.53 0.28 -1.30 0.00 0.00 177.93 176.65 3a6p h VAL 74 N 0.00 1.43 0.00 5.26 2.07 -1.23 -0.87 116.25 122.91 3a6p h VAL 74 Ca -0.00 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.46 3a6p h VAL 74 Cb 0.48 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3a6p h VAL 74 CO 0.03 0.58 -0.25 0.58 0.02 0.00 0.00 177.57 178.53 3a6p h VAL 75 N -0.11 0.89 0.03 2.57 2.07 -1.26 0.60 116.25 121.05 3a6p h VAL 75 Ca -0.06 -0.95 -0.30 0.00 0.82 0.00 0.00 66.70 66.21 3a6p h VAL 75 Cb 1.23 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 3a6p h VAL 75 CO 0.11 0.24 -1.70 0.50 0.02 0.00 0.00 177.57 176.74 3a6p h LYS 76 N 0.00 0.06 0.00 1.57 3.64 -1.08 -3.39 116.57 117.37 3a6p h LYS 76 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3a6p h LYS 76 Cb 0.54 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3a6p h LYS 76 CO 0.03 0.68 -0.49 1.19 -2.27 0.00 0.00 179.45 178.59 3a6p n PHE 77 N -3.16 -0.22 1.96 1.91 3.01 -0.34 -4.83 117.46 115.79 3a6p n PHE 77 Ca -0.18 0.04 0.09 0.00 1.01 0.00 0.00 57.45 58.41 3a6p n PHE 77 Cb 1.04 0.12 0.54 0.00 -0.01 0.00 0.00 39.48 41.18 3a6p n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a6p n ARG 78 N -3.11 0.98 0.18 -1.08 1.74 -1.01 -4.42 116.66 109.93 3a6p n ARG 78 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3a6p n ARG 78 Cb 0.25 -1.29 0.65 0.00 -1.02 0.00 0.00 32.46 31.04 3a6p n ARG 78 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3a6p h TRP 79 N 0.00 0.00 0.04 -1.55 2.91 0.01 -3.07 115.95 114.30 3a6p h TRP 79 Ca 0.00 0.00 -0.35 0.00 1.13 0.00 0.00 58.89 59.67 3a6p h TRP 79 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 3a6p h TRP 79 CO 0.00 0.00 -2.11 0.09 -1.03 0.00 0.00 178.44 175.39 3a6p n ASN 80 N -2.35 1.44 0.00 2.65 3.02 -1.26 -3.73 115.26 115.03 3a6p n ASN 80 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3a6p n ASN 80 Cb 0.06 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3a6p n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a6p n GLY 81 N 1.91 -0.46 3.87 7.41 0.00 -1.16 -4.78 105.19 111.98 3a6p n GLY 81 Ca -0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3a6p n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a6p s MET 82 N -2.91 3.68 0.99 1.61 -1.94 -1.24 -5.09 119.30 114.39 3a6p s MET 82 Ca 0.00 0.10 -0.13 0.00 -1.71 0.00 0.00 55.69 53.95 3a6p s MET 82 Cb 0.00 -3.12 0.18 0.00 2.01 0.00 0.00 34.83 33.90 3a6p s MET 82 CO 0.00 0.67 1.11 -1.54 -0.01 0.00 0.00 175.02 175.25 3a6p s SER 83 N -1.41 2.77 0.13 3.03 1.04 -1.26 -4.87 113.70 113.13 3a6p s SER 83 Ca 0.25 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.61 3a6p s SER 83 Cb -0.14 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 3a6p s SER 83 CO 0.13 -3.03 1.70 -0.09 0.98 0.00 0.00 173.24 172.93 3a6p h ARG 84 N -1.82 0.57 -0.74 4.02 1.12 -1.99 -2.35 114.38 113.18 3a6p h ARG 84 Ca -0.54 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 58.20 3a6p h ARG 84 Cb 1.33 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 31.16 3a6p h ARG 84 CO 0.59 0.52 0.30 -0.07 -3.11 0.00 0.00 179.97 178.19 3a6p h LEU 85 N 0.48 1.00 -0.86 3.80 3.38 -1.99 0.22 115.31 121.35 3a6p h LEU 85 Ca 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3a6p h LEU 85 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3a6p h LEU 85 CO -0.01 0.89 0.28 -0.33 0.09 0.00 0.00 178.44 179.35 3a6p h GLU 86 N 1.07 1.11 -0.50 1.13 5.08 -1.89 -0.95 114.58 119.64 3a6p h GLU 86 Ca 0.25 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3a6p h GLU 86 Cb 0.20 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3a6p h GLU 86 CO -0.02 0.91 -0.10 0.87 -1.00 0.00 0.00 179.01 179.67 3a6p h LYS 87 N 1.08 0.95 -0.07 2.33 1.57 -1.11 -2.41 116.57 118.91 3a6p h LYS 87 Ca 0.25 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3a6p h LYS 87 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3a6p h LYS 87 CO -0.02 1.02 -0.24 0.28 -0.57 0.00 0.00 179.45 179.92 3a6p h VAL 88 N 0.81 1.21 0.08 0.50 2.07 -0.35 -1.39 116.25 119.17 3a6p h VAL 88 Ca 0.13 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3a6p h VAL 88 Cb 0.66 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3a6p h VAL 88 CO 0.05 0.28 -0.04 0.22 0.02 0.00 0.00 177.57 178.10 3a6p h TYR 89 N 0.10 -0.10 -0.29 1.57 3.20 -1.17 -2.21 116.97 118.07 3a6p h TYR 89 Ca 0.02 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3a6p h TYR 89 Cb 0.49 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 3a6p h TYR 89 CO 0.00 0.39 0.13 1.25 -1.64 0.00 0.00 178.16 178.30 3a6p h LEU 90 N -0.67 0.18 -0.56 2.82 5.85 -1.37 -1.76 115.31 119.80 3a6p h LEU 90 Ca -0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3a6p h LEU 90 Cb 0.54 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 3a6p h LEU 90 CO 0.02 0.14 0.00 0.50 -0.34 0.00 0.00 178.44 178.76 3a6p h LYS 91 N 0.27 0.12 -0.17 1.25 3.64 -1.33 -2.64 116.57 117.71 3a6p h LYS 91 Ca 0.12 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3a6p h LYS 91 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3a6p h LYS 91 CO -0.10 0.08 -0.57 -0.91 -2.27 0.00 0.00 179.45 175.68 3a6p h ASN 92 N 0.12 0.60 -0.49 4.20 2.35 -0.97 -0.93 115.58 120.46 3a6p h ASN 92 Ca 0.29 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3a6p h ASN 92 Cb 0.45 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3a6p h ASN 92 CO -0.47 1.04 0.32 0.28 -1.65 0.00 0.00 177.43 176.95 3a6p h SER 93 N 0.40 0.48 0.27 5.81 0.02 -1.28 0.11 113.55 119.36 3a6p h SER 93 Ca 0.00 -0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3a6p h SER 93 Cb 1.12 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.55 3a6p h SER 93 CO 0.11 0.34 -1.66 0.58 -1.14 0.00 0.00 176.83 175.05 3a6p h VAL 94 N 0.56 1.04 -0.84 2.27 2.07 -1.05 -0.39 116.25 119.91 3a6p h VAL 94 Ca 0.19 -2.61 0.03 0.00 0.82 0.00 0.00 66.70 65.13 3a6p h VAL 94 Cb 0.08 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 3a6p h VAL 94 CO -0.05 0.84 0.54 0.24 0.02 0.00 0.00 177.57 179.17 3a6p h MET 95 N 0.10 1.03 -0.27 1.57 2.07 -1.14 -2.86 114.93 115.43 3a6p h MET 95 Ca -0.31 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.32 3a6p h MET 95 Cb 2.09 -0.23 -0.06 0.00 -1.87 0.00 0.00 31.60 31.53 3a6p h MET 95 CO 0.19 0.68 -0.13 0.93 1.07 0.00 0.00 176.91 179.65 3a6p h GLU 96 N 1.06 -0.09 -0.24 1.72 4.39 -0.69 -2.58 114.58 118.15 3a6p h GLU 96 Ca 0.34 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.11 3a6p h GLU 96 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3a6p h GLU 96 CO -0.11 -0.06 0.31 -0.07 -1.16 0.00 0.00 179.01 177.92 3a6p h LEU 97 N -0.09 0.00 0.10 1.33 3.38 -0.84 0.47 115.31 119.66 3a6p h LEU 97 Ca 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.84 3a6p h LEU 97 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a6p h LEU 97 CO -0.33 0.00 -1.23 0.40 0.09 0.00 0.00 178.44 177.37 3a6p h ILE 98 N 0.00 1.47 0.04 1.22 2.04 -1.32 0.20 117.51 121.15 3a6p h ILE 98 Ca 0.11 -2.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.02 3a6p h ILE 98 Cb 0.74 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 3a6p h ILE 98 CO -0.00 0.87 -0.02 0.00 0.00 0.00 0.00 178.15 179.00 3a6p h ALA 99 N 0.56 -0.05 0.00 1.87 0.00 0.16 -3.41 119.26 118.39 3a6p h ALA 99 Ca -0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3a6p h ALA 99 Cb 1.95 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.65 3a6p h ALA 99 CO 0.21 -0.32 -0.48 0.27 0.00 0.00 0.00 179.25 178.92 3a6p n ASN 100 N -4.92 0.11 0.01 0.00 6.94 -0.41 -4.96 115.26 112.03 3a6p n ASN 100 Ca -0.08 -1.77 -0.07 0.00 -0.02 0.00 0.00 54.58 52.63 3a6p n ASN 100 Cb 0.22 -0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.40 3a6p n ASN 100 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 3a6p h GLY 101 N 0.23 0.00 -2.71 4.83 0.00 -0.98 -3.47 103.07 100.97 3a6p h GLY 101 Ca -0.12 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.70 3a6p h GLY 101 CO -0.01 0.00 -0.52 -0.51 0.00 0.00 0.00 176.54 175.50 3a6p s THR 102 N -2.66 3.96 0.23 4.70 -4.23 -1.14 -4.38 115.64 112.12 3a6p s THR 102 Ca -0.03 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3a6p s THR 102 Cb 0.09 -3.24 0.06 0.00 1.34 0.00 0.00 72.50 70.74 3a6p s THR 102 CO 0.82 -0.29 0.13 0.18 -0.54 0.00 0.00 174.62 174.92 3a6p n LEU 103 N -1.20 0.00 -4.87 4.79 4.77 -1.26 -5.03 117.00 114.20 3a6p n LEU 103 Ca -0.06 -0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.49 3a6p n LEU 103 Cb 0.59 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3a6p n LEU 103 CO 0.42 -1.67 0.54 0.20 -1.33 0.00 0.00 177.39 175.55 3a6p s ASN 104 N -2.08 6.44 0.08 -1.43 -0.87 -1.26 -4.70 114.94 111.12 3a6p s ASN 104 Ca 0.10 1.22 -0.06 0.00 -1.57 0.00 0.00 52.86 52.55 3a6p s ASN 104 Cb -0.02 -2.37 0.08 0.00 -0.02 0.00 0.00 41.25 38.93 3a6p s ASN 104 CO 0.08 -0.56 0.55 2.30 -2.57 0.00 0.00 177.10 176.91 3a6p n ILE 105 N -1.81 -0.19 0.06 0.60 -6.64 -1.26 0.11 119.36 110.23 3a6p n ILE 105 Ca 0.03 0.84 -0.07 0.00 -1.77 0.00 0.00 62.75 61.78 3a6p n ILE 105 Cb 0.54 -1.10 -0.12 0.00 -1.44 0.00 0.00 39.64 37.52 3a6p n ILE 105 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 3a6p h LEU 106 N 0.00 0.00 0.00 7.28 3.38 -1.94 -3.27 115.31 120.75 3a6p h LEU 106 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a6p h LEU 106 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3a6p h LEU 106 CO -0.35 1.00 -0.63 -0.33 0.09 0.00 0.00 178.44 178.21 3a6p h GLU 107 N 0.00 0.00 -5.72 1.13 3.07 0.08 -3.46 114.58 109.69 3a6p h GLU 107 Ca -0.02 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.24 3a6p h GLU 107 Cb 1.78 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.60 3a6p h GLU 107 CO 0.13 0.00 0.33 -2.00 -1.40 0.00 0.00 179.01 176.07 3a6p s GLU 108 N -3.27 4.18 0.80 2.33 2.56 0.31 -4.81 118.70 120.80 3a6p s GLU 108 Ca 0.03 0.81 -0.16 0.00 0.00 0.00 0.00 54.97 55.65 3a6p s GLU 108 Cb 0.09 -3.63 -0.07 0.00 2.00 0.00 0.00 34.13 32.53 3a6p s GLU 108 CO 0.74 -0.42 0.07 0.39 -0.56 0.00 0.00 175.26 175.47 3a6p n GLU 109 N 5.68 0.06 0.09 4.30 -0.58 -1.26 -4.93 120.64 124.00 3a6p n GLU 109 Ca 0.03 0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.65 3a6p n GLU 109 Cb 0.48 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.72 3a6p n GLU 109 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3a6p h ASN 110 N -0.70 0.42 0.22 1.62 -1.24 -1.97 -3.30 115.58 110.63 3a6p h ASN 110 Ca -0.44 -0.50 -0.10 0.00 0.71 0.00 0.00 56.30 55.98 3a6p h ASN 110 Cb 1.34 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 3a6p h ASN 110 CO 0.36 1.40 -0.37 1.12 -1.29 0.00 0.00 177.43 178.65 3a6p h HIS 111 N 0.07 0.24 -0.08 0.67 2.07 -2.00 -2.69 115.15 113.44 3a6p h HIS 111 Ca -0.18 -0.06 -0.11 0.00 -2.85 0.00 0.00 60.37 57.17 3a6p h HIS 111 Cb 2.00 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 31.91 3a6p h HIS 111 CO 0.06 0.55 -0.43 0.82 -3.07 0.00 0.00 177.93 175.86 3a6p h ILE 112 N 0.18 1.32 -0.02 6.12 1.08 -1.95 -1.21 117.51 123.03 3a6p h ILE 112 Ca 0.02 -1.56 -0.13 0.00 -0.39 0.00 0.00 64.86 62.81 3a6p h ILE 112 Cb 0.73 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 3a6p h ILE 112 CO 0.06 0.46 -0.58 0.11 -0.69 0.00 0.00 178.15 177.50 3a6p h LYS 113 N 0.14 0.05 0.34 2.37 1.57 -1.59 -1.77 116.57 117.69 3a6p h LYS 113 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3a6p h LYS 113 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3a6p h LYS 113 CO 0.06 0.62 -0.16 0.22 -0.57 0.00 0.00 179.45 179.62 3a6p h ASP 114 N 0.04 -0.39 -0.95 0.86 3.58 -1.13 -0.93 116.42 117.50 3a6p h ASP 114 Ca -0.01 0.01 0.28 0.00 0.42 0.00 0.00 57.03 57.74 3a6p h ASP 114 Cb 1.04 0.10 -0.15 0.00 1.72 0.00 0.00 39.33 42.05 3a6p h ASP 114 CO 0.08 -0.21 0.41 0.00 -2.88 0.00 0.00 179.24 176.63 3a6p h ALA 115 N -1.66 1.63 -0.25 -0.78 0.00 -1.18 0.44 119.26 117.45 3a6p h ALA 115 Ca -0.05 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3a6p h ALA 115 Cb 0.35 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3a6p h ALA 115 CO 0.08 -0.52 -0.45 1.25 0.00 0.00 0.00 179.25 179.61 3a6p h LEU 116 N 0.27 0.84 -0.07 0.00 7.12 -1.37 -2.93 115.31 119.17 3a6p h LEU 116 Ca 0.65 -0.53 0.01 0.00 0.13 0.00 0.00 57.88 58.13 3a6p h LEU 116 Cb 1.40 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 3a6p h LEU 116 CO -0.63 1.21 0.02 -1.28 -0.13 0.00 0.00 178.44 177.62 3a6p h SER 117 N 0.50 0.02 -0.64 1.25 0.87 0.11 -2.95 113.55 112.71 3a6p h SER 117 Ca 0.02 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.71 3a6p h SER 117 Cb 1.05 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 62.90 3a6p h SER 117 CO 0.10 0.02 -0.17 0.03 -0.53 0.00 0.00 176.83 176.28 3a6p h ARG 118 N 0.05 -0.01 0.08 2.24 3.08 -0.43 -1.64 114.38 117.75 3a6p h ARG 118 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3a6p h ARG 118 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3a6p h ARG 118 CO -0.03 -0.01 -0.26 0.82 -1.07 0.00 0.00 179.97 179.42 3a6p h ILE 119 N -0.01 0.42 -0.62 2.04 2.04 -1.35 -1.72 117.51 118.32 3a6p h ILE 119 Ca 0.31 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3a6p h ILE 119 Cb 0.48 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3a6p h ILE 119 CO -0.67 0.00 0.36 0.58 0.00 0.00 0.00 178.15 178.43 3a6p h VAL 120 N -0.45 1.03 0.13 1.67 2.07 -1.31 -1.88 116.25 117.52 3a6p h VAL 120 Ca 0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3a6p h VAL 120 Cb 0.49 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3a6p h VAL 120 CO -0.18 0.13 -0.14 0.58 0.02 0.00 0.00 177.57 177.99 3a6p h VAL 121 N 0.70 0.69 -0.75 2.57 2.07 -1.23 0.67 116.25 120.98 3a6p h VAL 121 Ca 0.26 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.95 3a6p h VAL 121 Cb 0.08 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 3a6p h VAL 121 CO -0.13 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 177.35 3a6p h GLU 122 N -0.30 0.08 -0.02 1.57 4.57 -1.01 1.17 114.58 120.64 3a6p h GLU 122 Ca 0.01 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3a6p h GLU 122 Cb 0.29 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3a6p h GLU 122 CO -0.04 0.05 -0.36 0.52 -1.18 0.00 0.00 179.01 178.00 3a6p h MET 123 N 0.08 0.05 -0.45 1.92 2.86 -1.08 -1.81 114.93 116.50 3a6p h MET 123 Ca 0.40 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.91 3a6p h MET 123 Cb 0.69 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3a6p h MET 123 CO -0.68 0.40 -0.17 0.82 1.06 0.00 0.00 176.91 178.34 3a6p h ILE 124 N 0.04 1.27 0.00 -1.22 2.04 0.37 -2.45 117.51 117.56 3a6p h ILE 124 Ca 0.00 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 3a6p h ILE 124 Cb 0.66 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3a6p h ILE 124 CO 0.05 0.44 -0.47 0.11 0.00 0.00 0.00 178.15 178.28 3a6p h LYS 125 N 0.76 0.00 -0.13 2.37 1.57 -0.60 0.35 116.57 120.89 3a6p h LYS 125 Ca 0.11 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3a6p h LYS 125 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3a6p h LYS 125 CO 0.05 0.47 -0.68 0.00 -0.57 0.00 0.00 179.45 178.73 3a6p h ARG 126 N 0.00 0.53 0.00 3.15 2.47 -1.19 -3.43 114.38 115.91 3a6p h ARG 126 Ca -0.00 -0.40 -0.21 0.00 -1.26 0.00 0.00 59.98 58.11 3a6p h ARG 126 Cb 1.18 0.07 -0.15 0.00 -1.65 0.00 0.00 29.97 29.42 3a6p h ARG 126 CO 0.06 1.02 -0.34 -0.85 0.56 0.00 0.00 179.97 180.42 3a6p n GLU 127 N -3.90 1.22 0.00 0.04 0.28 -0.93 -5.08 120.64 112.27 3a6p n GLU 127 Ca -0.04 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.23 3a6p n GLU 127 Cb 0.68 0.03 0.00 0.00 1.43 0.00 0.00 31.44 33.58 3a6p n GLU 127 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 3a6p n TRP 128 N -0.73 0.00 -0.09 -1.84 -0.00 0.12 -3.51 117.44 111.40 3a6p n TRP 128 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.43 3a6p n TRP 128 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 32.14 3a6p n TRP 128 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3a6p n PRO 129 N 0.00 -0.09 -0.01 5.87 -0.04 -1.26 -0.78 135.00 138.69 3a6p n PRO 129 Ca 0.00 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 3a6p n PRO 129 Cb 0.00 -0.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.85 3a6p n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a6p n GLN 130 N -4.06 0.84 -0.53 0.54 0.00 -1.26 -3.53 117.38 109.37 3a6p n GLN 130 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 57.00 57.01 3a6p n GLN 130 Cb 0.05 -1.38 0.35 0.00 0.00 0.00 0.00 30.24 29.27 3a6p n GLN 130 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6p n HIS 131 N -1.85 1.31 -2.33 2.61 8.25 0.04 -4.35 115.22 118.89 3a6p n HIS 131 Ca -0.01 -0.56 -0.03 0.00 -0.26 0.00 0.00 57.72 56.86 3a6p n HIS 131 Cb 0.39 -0.15 0.04 0.00 1.12 0.00 0.00 29.99 31.38 3a6p n HIS 131 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3a6p n TRP 132 N 1.36 -0.90 -0.11 4.41 -0.00 -1.06 -4.91 117.44 116.24 3a6p n TRP 132 Ca 0.26 -0.87 0.16 0.00 -0.00 0.00 0.00 57.50 57.05 3a6p n TRP 132 Cb 0.79 0.94 0.55 0.00 -0.00 0.00 0.00 31.31 33.59 3a6p n TRP 132 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3a6p h PRO 133 N 0.43 0.31 -0.73 5.87 0.13 -1.75 0.70 132.00 136.96 3a6p h PRO 133 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3a6p h PRO 133 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3a6p h PRO 133 CO -0.15 0.20 0.00 -0.40 -0.23 0.00 0.00 178.00 177.42 3a6p n ASP 134 N -4.45 3.40 0.16 1.44 3.85 -1.26 -4.55 116.55 115.14 3a6p n ASP 134 Ca 0.12 -2.44 -0.14 0.00 -0.71 0.00 0.00 54.79 51.62 3a6p n ASP 134 Cb 0.51 -0.56 -0.07 0.00 -1.35 0.00 0.00 41.12 39.66 3a6p n ASP 134 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 3a6p h MET 135 N 2.19 -0.49 -0.77 0.11 4.05 -1.25 0.23 114.93 119.01 3a6p h MET 135 Ca 0.00 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.62 3a6p h MET 135 Cb 1.21 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 32.01 3a6p h MET 135 CO 0.24 -0.33 0.21 -0.07 0.23 0.00 0.00 176.91 177.19 3a6p h LEU 136 N -0.51 0.05 -0.59 3.39 3.38 -1.82 -2.19 115.31 117.03 3a6p h LEU 136 Ca -0.00 0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 3a6p h LEU 136 Cb 0.48 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3a6p h LEU 136 CO -0.06 -0.04 -0.35 0.40 0.09 0.00 0.00 178.44 178.49 3a6p h ILE 137 N 0.29 1.28 -0.68 1.22 2.04 -1.66 -1.40 117.51 118.60 3a6p h ILE 137 Ca 0.44 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.87 3a6p h ILE 137 Cb 0.77 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3a6p h ILE 137 CO -0.52 0.49 0.35 -0.08 0.00 0.00 0.00 178.15 178.39 3a6p h GLU 138 N 0.62 0.61 0.01 2.37 4.57 -0.16 0.01 114.58 122.62 3a6p h GLU 138 Ca 0.06 -0.04 -0.23 0.00 -1.18 0.00 0.00 59.36 57.98 3a6p h GLU 138 Cb 0.88 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3a6p h GLU 138 CO 0.08 0.40 -0.97 -0.07 -1.18 0.00 0.00 179.01 177.28 3a6p h LEU 139 N 0.63 0.52 -0.74 1.64 3.38 -1.26 -0.90 115.31 118.57 3a6p h LEU 139 Ca 0.32 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3a6p h LEU 139 Cb 0.27 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3a6p h LEU 139 CO -0.23 1.23 0.46 -0.78 0.09 0.00 0.00 178.44 179.22 3a6p h ASP 140 N 0.21 0.88 0.75 -0.43 3.58 -0.83 0.19 116.42 120.78 3a6p h ASP 140 Ca -0.08 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 3a6p h ASP 140 Cb 1.61 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.45 3a6p h ASP 140 CO 0.17 0.67 -0.36 0.74 -2.88 0.00 0.00 179.24 177.58 3a6p h THR 141 N 1.01 0.22 -0.87 2.25 2.02 -0.81 -2.76 112.91 113.97 3a6p h THR 141 Ca 0.27 -0.08 0.21 0.00 0.77 0.00 0.00 66.41 67.58 3a6p h THR 141 Cb -0.06 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.54 3a6p h THR 141 CO -0.05 0.01 0.59 -0.07 0.37 0.00 0.00 175.52 176.37 3a6p h LEU 142 N -1.07 0.26 -0.44 2.58 3.38 -0.90 -1.64 115.31 117.48 3a6p h LEU 142 Ca -0.10 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3a6p h LEU 142 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3a6p h LEU 142 CO 0.17 0.10 -0.64 -1.28 0.09 0.00 0.00 178.44 176.89 3a6p h SER 143 N 0.26 0.00 0.61 -0.43 0.87 -0.83 -2.69 113.55 111.34 3a6p h SER 143 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3a6p h SER 143 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3a6p h SER 143 CO -0.12 0.64 0.00 0.29 -0.53 0.00 0.00 176.83 177.11 3a6p n LYS 144 N -3.49 0.10 0.00 2.24 5.02 -0.62 -3.38 118.16 118.03 3a6p n LYS 144 Ca 0.00 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 3a6p n LYS 144 Cb 0.70 -1.68 0.73 0.00 -0.02 0.00 0.00 35.03 34.76 3a6p n LYS 144 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3a6p n GLN 145 N -1.86 0.61 0.00 1.97 6.02 -1.01 -4.98 117.38 118.13 3a6p n GLN 145 Ca 0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3a6p n GLN 145 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3a6p n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a6p n GLY 146 N 0.80 3.36 0.27 1.08 0.00 -1.22 -4.88 105.19 104.61 3a6p n GLY 146 Ca 0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 3a6p n GLY 146 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a6p h GLU 147 N 0.00 0.84 -0.47 1.61 9.09 -1.94 -0.12 114.58 123.59 3a6p h GLU 147 Ca 0.00 -0.05 0.14 0.00 0.05 0.00 0.00 59.36 59.50 3a6p h GLU 147 Cb 0.00 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 26.89 3a6p h GLU 147 CO 0.00 0.56 0.34 1.15 0.05 0.00 0.00 179.01 181.11 3a6p h THR 148 N 0.86 0.76 0.00 -1.06 2.02 -1.95 0.75 112.91 114.29 3a6p h THR 148 Ca 0.28 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 3a6p h THR 148 Cb 0.01 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3a6p h THR 148 CO -0.10 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.93 3a6p h GLN 149 N 0.00 0.00 -0.73 6.66 7.50 -1.63 -3.00 115.11 123.91 3a6p h GLN 149 Ca 0.23 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.42 3a6p h GLN 149 Cb 0.91 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.38 3a6p h GLN 149 CO -0.00 0.92 0.44 1.15 -1.50 0.00 0.00 178.83 179.83 3a6p h THR 150 N -1.00 1.03 -0.88 -0.54 2.02 -0.05 -0.69 112.91 112.79 3a6p h THR 150 Ca -0.11 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3a6p h THR 150 Cb 1.03 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3a6p h THR 150 CO -0.07 0.15 0.58 -0.08 0.37 0.00 0.00 175.52 176.48 3a6p h GLU 151 N 0.82 1.15 -0.47 6.66 4.81 -1.02 -1.95 114.58 124.58 3a6p h GLU 151 Ca 0.31 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3a6p h GLU 151 Cb 0.12 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3a6p h GLU 151 CO -0.15 0.76 0.19 -0.07 -0.73 0.00 0.00 179.01 179.01 3a6p h LEU 152 N 1.19 0.65 -0.70 1.64 3.38 -1.02 -1.39 115.31 119.07 3a6p h LEU 152 Ca 0.32 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3a6p h LEU 152 Cb -0.13 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.38 3a6p h LEU 152 CO -0.07 0.64 0.31 0.58 0.09 0.00 0.00 178.44 179.99 3a6p h VAL 153 N 0.62 0.78 -0.36 1.22 2.07 -0.97 -2.31 116.25 117.31 3a6p h VAL 153 Ca 0.16 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3a6p h VAL 153 Cb 0.19 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3a6p h VAL 153 CO -0.01 0.09 -0.13 0.24 0.02 0.00 0.00 177.57 177.78 3a6p h MET 154 N 0.52 0.65 0.00 1.57 2.86 -1.08 0.11 114.93 119.56 3a6p h MET 154 Ca 0.36 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3a6p h MET 154 Cb 0.44 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3a6p h MET 154 CO -0.31 0.76 -0.29 0.74 1.06 0.00 0.00 176.91 178.87 3a6p h PHE 155 N 0.59 0.00 0.00 -0.22 -1.00 -0.74 -2.47 116.94 113.10 3a6p h PHE 155 Ca 0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 3a6p h PHE 155 Cb 0.57 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 3a6p h PHE 155 CO 0.02 0.29 -0.10 0.82 -1.61 0.00 0.00 178.31 177.74 3a6p h ILE 156 N 0.00 1.08 0.00 -0.55 2.04 -0.91 -3.11 117.51 116.06 3a6p h ILE 156 Ca -0.00 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.00 3a6p h ILE 156 Cb 0.55 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3a6p h ILE 156 CO 0.04 0.37 -0.06 -0.07 0.00 0.00 0.00 178.15 178.42 3a6p h LEU 157 N -1.00 0.00 -0.10 1.44 3.38 -0.77 -0.01 115.31 118.24 3a6p h LEU 157 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3a6p h LEU 157 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3a6p h LEU 157 CO -0.01 0.06 -1.01 0.25 0.09 0.00 0.00 178.44 177.82 3a6p h LEU 158 N 0.00 0.27 -0.37 1.67 5.85 -1.59 -2.30 115.31 118.84 3a6p h LEU 158 Ca -0.00 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 3a6p h LEU 158 Cb 0.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3a6p h LEU 158 CO 0.01 1.12 -0.47 -0.09 -0.34 0.00 0.00 178.44 178.67 3a6p h ARG 159 N 0.08 0.00 0.22 1.25 2.43 -1.15 -2.41 114.38 114.81 3a6p h ARG 159 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3a6p h ARG 159 Cb 1.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 3a6p h ARG 159 CO 0.16 0.47 -0.11 1.25 -1.51 0.00 0.00 179.97 180.23 3a6p h LEU 160 N 0.00 -0.25 -0.85 3.80 5.85 -1.09 -1.40 115.31 121.36 3a6p h LEU 160 Ca -0.00 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.55 3a6p h LEU 160 Cb 1.21 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 3a6p h LEU 160 CO 0.06 0.24 0.48 0.00 -0.34 0.00 0.00 178.44 178.88 3a6p h ALA 161 N -0.36 1.22 0.69 1.25 0.00 -1.45 -2.61 119.26 117.99 3a6p h ALA 161 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a6p h ALA 161 Cb 0.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a6p h ALA 161 CO 0.05 0.08 -0.34 0.93 0.00 0.00 0.00 179.25 179.97 3a6p h GLU 162 N 0.78 -0.90 0.00 0.00 5.08 -1.46 -2.58 114.58 115.51 3a6p h GLU 162 Ca 0.42 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3a6p h GLU 162 Cb 0.42 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3a6p h GLU 162 CO -0.27 -0.60 -0.01 -0.44 -1.00 0.00 0.00 179.01 176.69 3a6p h ASP 163 N -0.93 0.00 0.00 1.42 3.32 -0.89 0.83 116.42 120.17 3a6p h ASP 163 Ca -0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3a6p h ASP 163 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3a6p h ASP 163 CO 0.15 0.01 -1.57 0.55 -1.72 0.00 0.00 179.24 176.67 3a6p n VAL 164 N -3.33 0.12 -0.01 -1.35 3.14 -1.05 0.90 118.33 116.75 3a6p n VAL 164 Ca -0.03 -0.30 -0.05 0.00 -2.96 0.00 0.00 64.34 61.01 3a6p n VAL 164 Cb 0.11 0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 32.96 3a6p n VAL 164 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3a6p n VAL 165 N -1.99 0.78 -0.02 1.55 0.31 -0.97 -4.40 118.33 113.60 3a6p n VAL 165 Ca -0.05 0.11 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 3a6p n VAL 165 Cb 0.39 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.52 3a6p n VAL 165 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3a6p h THR 166 N -0.23 1.60 -0.01 2.52 2.02 -1.30 -3.36 112.91 114.14 3a6p h THR 166 Ca -0.09 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.67 3a6p h THR 166 Cb 0.74 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 3a6p h THR 166 CO -0.06 0.65 -0.61 0.49 0.37 0.00 0.00 175.52 176.36 3a6p n PHE 167 N -4.37 0.00 -3.27 3.16 3.01 0.16 -4.97 117.46 111.19 3a6p n PHE 167 Ca -0.13 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.19 3a6p n PHE 167 Cb 0.65 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 3a6p n PHE 167 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3a6p n GLN 168 N -0.77 -0.67 0.00 -1.08 6.02 -1.14 -4.76 117.38 114.98 3a6p n GLN 168 Ca 0.08 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.34 3a6p n GLN 168 Cb 0.39 -0.83 0.60 0.00 1.02 0.00 0.00 30.24 31.42 3a6p n GLN 168 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3a6p n THR 169 N -1.75 0.22 -4.10 5.09 -2.24 0.26 -4.89 114.28 106.88 3a6p n THR 169 Ca -0.12 0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3a6p n THR 169 Cb 0.28 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 3a6p n THR 169 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a6p s LEU 170 N -2.43 3.83 -0.02 3.22 1.43 -1.26 -5.09 118.68 118.37 3a6p s LEU 170 Ca 0.25 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 52.82 3a6p s LEU 170 Cb 0.15 -2.39 -0.12 0.00 0.03 0.00 0.00 46.19 43.86 3a6p s LEU 170 CO 0.32 -0.00 1.84 -2.65 0.23 0.00 0.00 176.35 176.09 3a6p n PRO 171 N -0.89 2.29 -0.28 1.29 -0.02 -1.26 -4.71 135.00 131.42 3a6p n PRO 171 Ca -0.08 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3a6p n PRO 171 Cb 0.57 -2.69 0.25 0.00 -0.02 0.00 0.00 33.50 31.61 3a6p n PRO 171 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3a6p n PRO 172 N 6.12 -0.06 0.17 0.52 -0.02 -1.26 -0.22 135.00 140.25 3a6p n PRO 172 Ca 0.21 1.21 -0.14 0.00 -2.02 0.00 0.00 63.50 62.76 3a6p n PRO 172 Cb 0.31 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 3a6p n PRO 172 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3a6p h GLN 173 N 0.00 -0.40 -0.85 -0.52 4.20 -2.00 -1.12 115.11 114.42 3a6p h GLN 173 Ca 0.50 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.22 3a6p h GLN 173 Cb 1.04 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 3a6p h GLN 173 CO -0.76 -0.14 0.45 -0.09 -0.67 0.00 0.00 178.83 177.62 3a6p h ARG 174 N -0.62 1.19 -0.18 1.46 9.65 -1.31 -2.84 114.38 121.74 3a6p h ARG 174 Ca -0.04 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.71 3a6p h ARG 174 Cb 0.45 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3a6p h ARG 174 CO 0.07 0.89 0.03 -0.09 2.80 0.00 0.00 179.97 183.67 3a6p h ARG 175 N 1.19 0.10 -0.67 0.20 2.43 -0.49 -2.99 114.38 114.14 3a6p h ARG 175 Ca 0.30 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3a6p h ARG 175 Cb 0.05 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3a6p h ARG 175 CO -0.05 0.06 0.38 0.00 -1.51 0.00 0.00 179.97 178.86 3a6p h ARG 176 N 0.10 0.68 -0.42 0.20 3.08 -0.96 -2.97 114.38 114.10 3a6p h ARG 176 Ca 0.08 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3a6p h ARG 176 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3a6p h ARG 176 CO -0.11 0.45 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.66 3a6p h ASP 177 N 0.70 0.76 -0.41 7.04 3.45 -1.41 -2.22 116.42 124.34 3a6p h ASP 177 Ca 0.30 -0.24 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 3a6p h ASP 177 Cb 0.16 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3a6p h ASP 177 CO -0.17 0.92 -0.09 0.40 -1.57 0.00 0.00 179.24 178.72 3a6p h ILE 178 N 0.69 1.26 -0.16 0.35 2.04 -1.45 -1.90 117.51 118.34 3a6p h ILE 178 Ca 0.11 -1.18 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 3a6p h ILE 178 Cb 0.63 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3a6p h ILE 178 CO 0.04 0.41 -0.41 -0.61 0.00 0.00 0.00 178.15 177.58 3a6p h GLN 179 N 0.77 0.38 -0.52 2.37 4.15 -1.32 0.24 115.11 121.18 3a6p h GLN 179 Ca 0.13 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 3a6p h GLN 179 Cb 0.60 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 3a6p h GLN 179 CO 0.04 0.73 -0.12 1.96 -1.93 0.00 0.00 178.83 179.51 3a6p h GLN 180 N 0.31 1.00 -0.30 1.69 4.20 -1.24 -1.42 115.11 119.36 3a6p h GLN 180 Ca 0.03 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 3a6p h GLN 180 Cb 0.86 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3a6p h GLN 180 CO 0.07 1.06 -0.01 1.15 -0.67 0.00 0.00 178.83 180.43 3a6p h THR 181 N 0.87 1.26 -0.51 -0.54 2.02 -1.10 -0.29 112.91 114.62 3a6p h THR 181 Ca 0.13 -0.95 0.10 0.00 0.77 0.00 0.00 66.41 66.46 3a6p h THR 181 Cb 0.68 1.29 -0.08 0.00 -1.74 0.00 0.00 68.15 68.30 3a6p h THR 181 CO 0.05 0.31 0.05 -0.07 0.37 0.00 0.00 175.52 176.22 3a6p h LEU 182 N 0.32 -0.12 -0.14 2.58 3.38 -0.40 -0.50 115.31 120.43 3a6p h LEU 182 Ca 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3a6p h LEU 182 Cb 0.44 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3a6p h LEU 182 CO 0.02 -0.03 0.06 0.74 0.09 0.00 0.00 178.44 179.32 3a6p h THR 183 N 0.17 1.13 -0.63 0.22 2.02 -1.07 -1.43 112.91 113.32 3a6p h THR 183 Ca 0.26 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 67.17 3a6p h THR 183 Cb 0.38 1.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.84 3a6p h THR 183 CO -0.39 0.12 0.16 1.56 0.37 0.00 0.00 175.52 177.34 3a6p h GLN 184 N 0.09 0.28 -0.32 6.66 4.20 -0.45 -1.20 115.11 124.37 3a6p h GLN 184 Ca 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3a6p h GLN 184 Cb 0.14 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3a6p h GLN 184 CO -0.01 0.19 0.00 0.09 -0.67 0.00 0.00 178.83 178.43 3a6p n ASN 185 N -5.11 1.77 0.23 1.46 3.02 -0.25 -4.56 115.26 111.82 3a6p n ASN 185 Ca 0.10 -1.97 0.10 0.00 -0.03 0.00 0.00 54.58 52.78 3a6p n ASN 185 Cb 0.34 -0.21 0.50 0.00 -0.61 0.00 0.00 39.78 39.80 3a6p n ASN 185 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3a6p h MET 186 N 1.97 0.00 -0.02 3.52 4.05 -0.10 0.14 114.93 124.49 3a6p h MET 186 Ca 0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 3a6p h MET 186 Cb 0.45 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 3a6p h MET 186 CO 0.00 0.22 -0.85 1.49 0.23 0.00 0.00 176.91 178.00 3a6p h GLU 187 N 0.00 0.28 0.06 0.39 4.81 -1.80 -0.86 114.58 117.47 3a6p h GLU 187 Ca -0.00 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3a6p h GLU 187 Cb 0.67 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3a6p h GLU 187 CO 0.03 0.97 -0.03 0.00 -0.73 0.00 0.00 179.01 179.25 3a6p h ARG 188 N 0.17 -0.08 -0.78 1.92 2.47 -1.27 -1.83 114.38 114.98 3a6p h ARG 188 Ca -0.05 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3a6p h ARG 188 Cb 1.46 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.75 3a6p h ARG 188 CO 0.14 0.51 0.49 0.82 0.56 0.00 0.00 179.97 182.49 3a6p h ILE 189 N -0.80 1.12 0.00 2.04 2.04 -0.88 -0.52 117.51 120.51 3a6p h ILE 189 Ca -0.01 -0.33 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 3a6p h ILE 189 Cb 0.63 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3a6p h ILE 189 CO 0.01 0.18 -0.60 0.15 0.00 0.00 0.00 178.15 177.89 3a6p h PHE 190 N 0.96 0.00 -0.04 1.37 3.57 -1.22 -1.55 116.94 120.05 3a6p h PHE 190 Ca 0.31 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 3a6p h PHE 190 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3a6p h PHE 190 CO -0.03 0.60 -0.73 1.03 -2.23 0.00 0.00 178.31 176.95 3a6p h SER 191 N 0.00 0.26 -0.49 0.41 0.87 -0.85 -1.21 113.55 112.54 3a6p h SER 191 Ca -0.01 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 3a6p h SER 191 Cb 1.20 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 3a6p h SER 191 CO 0.08 0.90 -0.09 0.15 -0.53 0.00 0.00 176.83 177.34 3a6p h PHE 192 N 0.14 1.03 -0.44 2.24 3.57 -0.80 -1.04 116.94 121.63 3a6p h PHE 192 Ca -0.02 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.20 3a6p h PHE 192 Cb 1.29 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3a6p h PHE 192 CO 0.03 0.98 0.02 -0.07 -2.23 0.00 0.00 178.31 177.04 3a6p h LEU 193 N 0.77 0.74 -0.03 0.59 3.38 -1.17 -2.03 115.31 117.57 3a6p h LEU 193 Ca 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3a6p h LEU 193 Cb 0.63 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3a6p h LEU 193 CO 0.04 0.85 0.01 0.25 0.09 0.00 0.00 178.44 179.69 3a6p h LEU 194 N 0.61 0.05 -0.62 1.67 5.85 -1.15 -1.52 115.31 120.21 3a6p h LEU 194 Ca 0.13 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3a6p h LEU 194 Cb 0.46 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3a6p h LEU 194 CO 0.02 0.23 -0.07 0.78 -0.34 0.00 0.00 178.44 179.05 3a6p h ASN 195 N -0.14 1.01 -0.16 1.25 2.35 -1.18 -1.02 115.58 117.70 3a6p h ASN 195 Ca 0.01 -0.32 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 3a6p h ASN 195 Cb 0.20 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 3a6p h ASN 195 CO -0.00 1.10 -0.16 0.74 -1.65 0.00 0.00 177.43 177.46 3a6p h THR 196 N 0.91 0.57 -0.26 2.81 2.02 -1.38 -1.16 112.91 116.43 3a6p h THR 196 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 3a6p h THR 196 Cb 0.63 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 3a6p h THR 196 CO 0.04 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.09 3a6p h LEU 197 N -0.19 -0.31 -0.75 2.58 5.85 -1.04 -2.03 115.31 119.43 3a6p h LEU 197 Ca 0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3a6p h LEU 197 Cb 0.34 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3a6p h LEU 197 CO -0.27 -0.11 0.43 -0.61 -0.34 0.00 0.00 178.44 177.54 3a6p h GLN 198 N -0.04 1.03 0.20 1.25 4.15 -0.83 -1.36 115.11 119.51 3a6p h GLN 198 Ca 0.13 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3a6p h GLN 198 Cb 0.23 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.71 3a6p h GLN 198 CO -0.29 0.75 -0.10 0.93 -1.93 0.00 0.00 178.83 178.20 3a6p h GLU 199 N 1.03 -0.26 -0.85 1.69 5.08 -1.19 -2.74 114.58 117.34 3a6p h GLU 199 Ca 0.27 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.81 3a6p h GLU 199 Cb 0.00 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 3a6p h GLU 199 CO -0.05 0.14 0.40 -0.91 -1.00 0.00 0.00 179.01 177.58 3a6p h ASN 200 N -0.87 0.41 0.67 1.42 2.35 -1.34 -1.41 115.58 116.80 3a6p h ASN 200 Ca -0.03 0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3a6p h ASN 200 Cb 0.51 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3a6p h ASN 200 CO 0.04 0.12 -0.46 0.58 -1.65 0.00 0.00 177.43 176.07 3a6p h VAL 201 N 0.51 0.00 -0.93 2.81 2.07 -1.33 -2.13 116.25 117.25 3a6p h VAL 201 Ca 0.49 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.15 3a6p h VAL 201 Cb 0.79 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.41 3a6p h VAL 201 CO -0.43 0.00 -0.39 0.78 0.02 0.00 0.00 177.57 177.55 3a6p h ASN 202 N -1.07 -1.44 -0.73 0.57 -0.26 -1.06 0.62 115.58 112.21 3a6p h ASN 202 Ca -0.09 0.30 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 3a6p h ASN 202 Cb 0.87 0.74 -0.05 0.00 -1.06 0.00 0.00 38.32 38.82 3a6p h ASN 202 CO 0.06 -0.29 0.44 0.11 -1.06 0.00 0.00 177.43 176.69 3a6p h LYS 203 N -0.03 0.81 -0.32 0.81 1.57 -1.24 -0.09 116.57 118.07 3a6p h LYS 203 Ca 0.32 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3a6p h LYS 203 Cb 0.58 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3a6p h LYS 203 CO -0.94 0.53 -0.21 -0.92 -0.57 0.00 0.00 179.45 177.35 3a6p h TYR 204 N 0.83 0.66 0.20 -1.35 3.20 -0.27 -2.29 116.97 117.95 3a6p h TYR 204 Ca 0.31 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3a6p h TYR 204 Cb 0.12 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3a6p h TYR 204 CO -0.05 0.76 -0.37 1.96 -1.64 0.00 0.00 178.16 178.82 3a6p h GLN 205 N 0.53 -0.59 0.00 1.82 1.08 0.20 -0.95 115.11 117.20 3a6p h GLN 205 Ca 0.08 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 3a6p h GLN 205 Cb 0.65 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3a6p h GLN 205 CO 0.05 -0.39 -0.11 -0.56 -0.95 0.00 0.00 178.83 176.86 3a6p h GLN 206 N -0.61 0.00 -0.01 1.46 3.07 -1.40 -2.87 115.11 114.75 3a6p h GLN 206 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3a6p h GLN 206 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 3a6p h GLN 206 CO -0.13 0.11 -0.54 0.28 0.09 0.00 0.00 178.83 178.64 3a6p n VAL 207 N -3.34 0.00 0.05 1.86 0.31 -0.86 -4.72 118.33 111.63 3a6p n VAL 207 Ca -0.00 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 3a6p n VAL 207 Cb 0.31 1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 34.27 3a6p n VAL 207 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3a6p h LYS 208 N 1.84 -0.43 -0.01 5.55 3.64 -0.93 -2.92 116.57 123.31 3a6p h LYS 208 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3a6p h LYS 208 Cb 0.68 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3a6p h LYS 208 CO 0.00 -0.29 -0.22 0.25 -2.27 0.00 0.00 179.45 176.92 3a6p n THR 209 N -4.39 0.00 -1.84 1.00 -2.24 -1.26 -4.76 114.28 100.79 3a6p n THR 209 Ca -0.05 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.33 3a6p n THR 209 Cb 0.26 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 3a6p n THR 209 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a6p s ASP 210 N -2.37 4.49 0.60 3.42 2.15 -1.10 -4.84 116.67 119.03 3a6p s ASP 210 Ca 0.26 -0.62 0.29 0.00 0.43 0.00 0.00 52.55 52.91 3a6p s ASP 210 Cb 0.19 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.49 3a6p s ASP 210 CO 0.48 -3.43 1.62 0.00 -0.17 0.00 0.00 175.17 173.67 3a6p h THR 211 N 7.17 0.18 -0.41 1.71 1.03 -1.85 -2.49 112.91 118.25 3a6p h THR 211 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.37 3a6p h THR 211 Cb 0.99 0.32 -0.06 0.00 -1.07 0.00 0.00 68.15 68.33 3a6p h THR 211 CO 1.12 0.00 0.14 -1.54 -0.01 0.00 0.00 175.52 175.23 3a6p n SER 212 N -3.50 3.61 -2.74 0.00 3.41 -1.26 -4.21 113.62 108.93 3a6p n SER 212 Ca 0.16 -2.67 -0.09 0.00 -0.26 0.00 0.00 58.87 56.01 3a6p n SER 212 Cb 1.11 -0.64 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 3a6p n SER 212 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3a6p n GLN 213 N 0.07 1.03 -0.12 4.33 7.27 -0.94 -5.02 117.38 124.01 3a6p n GLN 213 Ca 0.22 -1.96 -0.11 0.00 0.07 0.00 0.00 57.00 55.22 3a6p n GLN 213 Cb 0.93 -0.96 -0.02 0.00 2.41 0.00 0.00 30.24 32.59 3a6p n GLN 213 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3a6p h GLU 214 N 2.92 0.71 -0.50 3.69 4.39 -1.78 -2.31 114.58 121.71 3a6p h GLU 214 Ca -0.11 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 3a6p h GLU 214 Cb 1.11 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3a6p h GLU 214 CO 0.12 0.88 0.01 0.66 -1.16 0.00 0.00 179.01 179.52 3a6p h SER 215 N 0.51 0.79 0.68 1.42 4.64 -1.95 -0.87 113.55 118.77 3a6p h SER 215 Ca 0.09 -0.19 -0.21 0.00 -0.47 0.00 0.00 61.79 61.00 3a6p h SER 215 Cb 0.64 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3a6p h SER 215 CO 0.04 0.85 -0.97 0.11 -0.87 0.00 0.00 176.83 176.00 3a6p h LYS 216 N 0.77 0.17 0.51 4.77 1.57 -1.98 -2.65 116.57 119.72 3a6p h LYS 216 Ca 0.15 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3a6p h LYS 216 Cb 0.46 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3a6p h LYS 216 CO 0.02 1.01 -0.25 0.00 -0.57 0.00 0.00 179.45 179.66 3a6p h ALA 217 N 0.91 -0.69 -1.13 3.86 0.00 -1.23 -1.64 119.26 119.34 3a6p h ALA 217 Ca -0.05 -0.19 0.31 0.00 0.00 0.00 0.00 54.91 54.98 3a6p h ALA 217 Cb 1.64 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 3a6p h ALA 217 CO 0.15 -0.76 0.76 0.37 0.00 0.00 0.00 179.25 179.77 3a6p h GLN 218 N -0.94 0.22 0.00 0.00 5.75 -1.26 -2.27 115.11 116.61 3a6p h GLN 218 Ca -0.07 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3a6p h GLN 218 Cb 0.61 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3a6p h GLN 218 CO 0.12 0.14 -0.00 0.00 -2.65 0.00 0.00 178.83 176.44 3a6p h ALA 219 N 1.54 -0.00 -0.07 3.38 0.00 -1.16 -2.83 119.26 120.12 3a6p h ALA 219 Ca 0.61 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3a6p h ALA 219 Cb 1.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 3a6p h ALA 219 CO -0.21 -0.01 0.11 -0.91 0.00 0.00 0.00 179.25 178.23 3a6p h ASN 220 N -1.00 0.00 -0.00 0.00 2.35 -1.16 -0.68 115.58 115.09 3a6p h ASN 220 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3a6p h ASN 220 Cb 0.66 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.03 3a6p h ASN 220 CO 0.00 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 175.52 3a6p h ARG 222 N -0.48 0.00 0.15 0.00 2.47 -0.86 -0.80 114.38 114.86 3a6p h ARG 222 Ca -0.03 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.39 3a6p h ARG 222 Cb 1.02 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.36 3a6p h ARG 222 CO 0.05 0.00 -1.29 0.28 0.56 0.00 0.00 179.97 179.57 3a6p h VAL 223 N 0.00 1.34 0.06 2.04 2.07 -1.53 -2.22 116.25 118.00 3a6p h VAL 223 Ca 0.06 -2.66 0.02 0.00 0.82 0.00 0.00 66.70 64.95 3a6p h VAL 223 Cb 0.33 2.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.89 3a6p h VAL 223 CO -0.00 0.80 -0.27 1.23 0.02 0.00 0.00 177.57 179.35 3a6p h GLY 224 N 0.61 -0.46 0.14 2.17 0.00 -0.96 0.55 103.07 105.12 3a6p h GLY 224 Ca -0.19 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3a6p h GLY 224 CO 0.24 -0.22 -0.31 -2.08 0.00 0.00 0.00 176.54 174.17 3a6p h VAL 225 N -0.44 0.30 -0.62 4.60 2.07 -1.46 -1.73 116.25 118.96 3a6p h VAL 225 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3a6p h VAL 225 Cb 0.50 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3a6p h VAL 225 CO -0.19 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.57 3a6p h ALA 226 N 0.50 1.13 -0.67 1.67 0.00 -0.84 -0.48 119.26 120.56 3a6p h ALA 226 Ca 0.11 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3a6p h ALA 226 Cb 0.53 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3a6p h ALA 226 CO -0.37 0.59 0.26 0.00 0.00 0.00 0.00 179.25 179.73 3a6p h ALA 227 N 1.26 0.90 0.51 0.00 0.00 -0.40 -1.17 119.26 120.37 3a6p h ALA 227 Ca 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3a6p h ALA 227 Cb 0.30 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a6p h ALA 227 CO -0.00 -0.20 -0.25 -0.07 0.00 0.00 0.00 179.25 178.73 3a6p h LEU 228 N 0.42 -0.58 -0.63 0.00 3.38 -0.23 0.58 115.31 118.25 3a6p h LEU 228 Ca 0.35 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.42 3a6p h LEU 228 Cb 0.48 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 3a6p h LEU 228 CO -0.35 -0.25 -0.31 0.59 0.09 0.00 0.00 178.44 178.21 3a6p n ASN 229 N -4.75 -0.53 -0.26 -0.43 4.13 -0.66 0.91 115.26 113.66 3a6p n ASN 229 Ca -0.09 1.11 -0.05 0.00 1.68 0.00 0.00 54.58 57.23 3a6p n ASN 229 Cb 0.27 -0.20 0.06 0.00 -1.54 0.00 0.00 39.78 38.37 3a6p n ASN 229 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3a6p h THR 230 N 0.00 1.21 -0.85 3.41 2.02 -0.51 -2.05 112.91 116.13 3a6p h THR 230 Ca 0.16 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3a6p h THR 230 Cb 0.32 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3a6p h THR 230 CO -0.61 0.21 0.56 -0.07 0.37 0.00 0.00 175.52 175.99 3a6p h LEU 231 N 0.99 0.96 -0.51 2.58 3.38 0.61 -2.58 115.31 120.73 3a6p h LEU 231 Ca 0.26 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.31 3a6p h LEU 231 Cb -0.04 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 3a6p h LEU 231 CO -0.05 0.68 0.06 0.00 0.09 0.00 0.00 178.44 179.23 3a6p h ALA 232 N 1.48 0.55 0.00 1.53 0.00 0.02 0.81 119.26 123.65 3a6p h ALA 232 Ca 0.32 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3a6p h ALA 232 Cb -0.09 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a6p h ALA 232 CO -0.08 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.24 3a6p n GLY 233 N -1.30 -0.54 0.00 0.00 0.00 -0.97 -3.44 105.19 98.93 3a6p n GLY 233 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3a6p n GLY 233 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a6p n TYR 234 N -0.55 0.00 0.31 1.61 4.02 -0.39 -4.69 117.16 117.48 3a6p n TYR 234 Ca 0.01 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.06 3a6p n TYR 234 Cb 0.01 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.02 3a6p n TYR 234 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3a6p h ILE 235 N 0.00 0.00 0.03 -0.72 2.10 -0.93 -2.95 117.51 115.04 3a6p h ILE 235 Ca 0.00 -0.27 -0.38 0.00 1.08 0.00 0.00 64.86 65.28 3a6p h ILE 235 Cb 0.28 1.11 -0.06 0.00 -1.09 0.00 0.00 36.82 37.06 3a6p h ILE 235 CO 0.00 0.00 -2.35 -0.90 -1.08 0.00 0.00 178.15 173.82 3a6p n ASP 236 N -2.69 2.02 -0.32 2.19 5.75 -1.26 -4.46 116.55 117.78 3a6p n ASP 236 Ca 0.00 -0.03 0.13 0.00 -0.01 0.00 0.00 54.79 54.88 3a6p n ASP 236 Cb 0.21 -0.54 0.36 0.00 -1.03 0.00 0.00 41.12 40.12 3a6p n ASP 236 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 3a6p n TRP 237 N -3.35 0.00 -2.34 2.11 4.27 -1.24 -4.84 117.44 112.04 3a6p n TRP 237 Ca -0.42 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 52.86 3a6p n TRP 237 Cb 1.00 -0.09 -0.03 0.00 -1.36 0.00 0.00 31.31 30.83 3a6p n TRP 237 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 3a6p s VAL 238 N -2.41 4.37 0.21 -1.67 -7.23 -1.12 -4.96 120.40 107.60 3a6p s VAL 238 Ca 0.26 1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 61.28 3a6p s VAL 238 Cb 0.19 -3.65 -0.15 0.00 0.56 0.00 0.00 36.38 33.34 3a6p s VAL 238 CO 0.49 -0.63 1.05 -0.24 -0.31 0.00 0.00 175.10 175.46 3a6p n SER 239 N -1.63 1.07 0.29 4.85 2.88 -1.26 -4.84 113.62 114.98 3a6p n SER 239 Ca 0.07 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.91 3a6p n SER 239 Cb 0.54 -1.21 0.90 0.00 -0.75 0.00 0.00 64.21 63.68 3a6p n SER 239 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3a6p h MET 240 N 2.66 0.00 0.00 -1.46 4.05 -1.93 -2.66 114.93 115.59 3a6p h MET 240 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3a6p h MET 240 Cb 1.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 3a6p h MET 240 CO 0.65 0.01 0.00 0.66 0.23 0.00 0.00 176.91 178.46 3a6p h SER 241 N 0.00 0.00 0.84 1.39 4.64 -1.92 -0.43 113.55 118.07 3a6p h SER 241 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3a6p h SER 241 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3a6p h SER 241 CO 0.00 0.00 -1.25 0.45 -0.87 0.00 0.00 176.83 175.16 3a6p h HIS 242 N 0.00 0.00 0.02 4.77 -0.00 -1.84 -2.86 115.15 115.24 3a6p h HIS 242 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 3a6p h HIS 242 Cb 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.63 3a6p h HIS 242 CO 0.00 0.74 -0.37 0.82 -0.00 0.00 0.00 177.93 179.11 3a6p h ILE 243 N 0.00 1.55 -0.06 2.45 5.03 -1.26 -3.19 117.51 122.02 3a6p h ILE 243 Ca -0.14 -2.10 0.00 0.00 -0.12 0.00 0.00 64.86 62.50 3a6p h ILE 243 Cb 1.69 2.87 0.00 0.00 -3.03 0.00 0.00 36.82 38.35 3a6p h ILE 243 CO 0.07 0.58 0.00 0.35 -0.68 0.00 0.00 178.15 178.47 3a6p n THR 244 N -4.41 0.08 0.00 -0.27 -2.24 -0.50 -4.29 114.28 102.65 3a6p n THR 244 Ca -0.10 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3a6p n THR 244 Cb 0.58 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3a6p n THR 244 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6p n ALA 245 N -0.41 -0.26 -2.40 6.98 0.00 -1.08 -3.03 120.51 120.32 3a6p n ALA 245 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3a6p n ALA 245 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3a6p n ALA 245 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a6p n GLU 246 N -2.07 3.94 -1.65 0.00 1.02 -1.26 -4.49 120.64 116.12 3a6p n GLU 246 Ca 0.00 -3.71 -0.12 0.00 -0.02 0.00 0.00 57.16 53.31 3a6p n GLU 246 Cb 0.00 -2.81 -0.04 0.00 -0.02 0.00 0.00 31.44 28.57 3a6p n GLU 246 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a6p n ASN 247 N 3.06 -3.46 -0.79 1.62 5.03 -1.21 -1.91 115.26 117.60 3a6p n ASN 247 Ca 0.41 0.28 0.00 0.00 0.87 0.00 0.00 54.58 56.13 3a6p n ASN 247 Cb 0.34 -3.17 0.00 0.00 -1.02 0.00 0.00 39.78 35.93 3a6p n ASN 247 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a6p h LYS 249 N 0.00 0.15 -0.50 0.00 1.57 -1.60 -2.25 116.57 113.94 3a6p h LYS 249 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3a6p h LYS 249 Cb 0.89 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3a6p h LYS 249 CO 0.00 0.43 0.27 1.25 -0.57 0.00 0.00 179.45 180.83 3a6p h LEU 250 N 0.13 0.63 -0.59 2.94 7.12 -1.88 -0.59 115.31 123.08 3a6p h LEU 250 Ca 0.02 -0.10 -0.15 0.00 0.13 0.00 0.00 57.88 57.79 3a6p h LEU 250 Cb 0.58 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 3a6p h LEU 250 CO 0.04 0.55 -0.45 -0.07 -0.13 0.00 0.00 178.44 178.38 3a6p h LEU 251 N 0.67 0.66 0.45 2.25 3.38 -1.74 -2.29 115.31 118.68 3a6p h LEU 251 Ca 0.18 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3a6p h LEU 251 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3a6p h LEU 251 CO -0.03 1.01 -0.22 -0.08 0.09 0.00 0.00 178.44 179.22 3a6p h GLU 252 N 0.49 -0.58 -0.79 1.13 4.57 -0.77 -1.88 114.58 116.75 3a6p h GLU 252 Ca 0.03 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3a6p h GLU 252 Cb 0.98 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 3a6p h GLU 252 CO 0.09 -0.38 0.43 0.82 -1.18 0.00 0.00 179.01 178.80 3a6p h ILE 253 N -0.62 1.23 -0.46 2.32 2.04 -1.14 -2.01 117.51 118.88 3a6p h ILE 253 Ca -0.06 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3a6p h ILE 253 Cb 0.47 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3a6p h ILE 253 CO 0.10 0.26 0.31 -0.07 0.00 0.00 0.00 178.15 178.75 3a6p h LEU 254 N 1.11 0.35 0.08 1.44 3.38 -1.04 0.12 115.31 120.75 3a6p h LEU 254 Ca 0.28 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3a6p h LEU 254 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a6p h LEU 254 CO -0.05 0.23 -0.04 0.00 0.09 0.00 0.00 178.44 178.68 3a6p h LEU 256 N -0.78 0.46 -0.03 0.00 5.85 -0.97 0.36 115.31 120.20 3a6p h LEU 256 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3a6p h LEU 256 Cb 0.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3a6p h LEU 256 CO 0.02 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.48 3a6p n LEU 257 N -4.55 0.07 0.29 2.25 4.32 0.36 -3.07 117.00 116.67 3a6p n LEU 257 Ca 0.20 0.51 0.16 0.00 -0.02 0.00 0.00 56.01 56.87 3a6p n LEU 257 Cb 0.69 -0.50 0.84 0.00 -1.62 0.00 0.00 43.42 42.83 3a6p n LEU 257 CO 0.29 -0.16 1.03 -0.07 -1.22 0.00 0.00 177.39 177.27 3a6p h LEU 258 N 0.00 0.00 -2.59 2.23 3.38 -0.27 -2.39 115.31 115.67 3a6p h LEU 258 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 258 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a6p h LEU 258 CO 0.00 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.18 3a6p n ASN 259 N -3.35 3.97 -4.00 -0.43 3.02 -1.17 -4.74 115.26 108.55 3a6p n ASN 259 Ca -0.01 -2.51 -0.31 0.00 -0.03 0.00 0.00 54.58 51.72 3a6p n ASN 259 Cb 0.22 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 3a6p n ASN 259 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3a6p s GLU 260 N -2.03 1.52 0.45 3.52 2.56 -0.90 -5.01 118.70 118.81 3a6p s GLU 260 Ca 0.37 -1.70 0.29 0.00 0.00 0.00 0.00 54.97 53.93 3a6p s GLU 260 Cb 0.27 -3.03 1.37 0.00 2.00 0.00 0.00 34.13 34.74 3a6p s GLU 260 CO 0.14 -0.88 1.68 1.96 -0.56 0.00 0.00 175.26 177.60 3a6p h GLN 261 N 7.69 0.15 0.00 4.30 1.08 -1.87 0.91 115.11 127.36 3a6p h GLN 261 Ca -0.07 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3a6p h GLN 261 Cb 1.02 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3a6p h GLN 261 CO 0.50 0.10 -0.03 0.39 -0.95 0.00 0.00 178.83 178.84 3a6p n GLU 262 N -4.57 0.08 0.00 1.46 -0.58 -1.26 -4.24 120.64 111.53 3a6p n GLU 262 Ca 0.33 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 3a6p n GLU 262 Cb 1.30 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 3a6p n GLU 262 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a6p n LEU 263 N -1.73 0.00 -0.24 -4.62 4.77 0.31 -4.88 117.00 110.60 3a6p n LEU 263 Ca 0.06 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3a6p n LEU 263 Cb 0.37 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3a6p n LEU 263 CO 0.28 0.00 1.04 0.06 -1.33 0.00 0.00 177.39 177.45 3a6p h GLN 264 N 0.00 0.97 -0.94 3.23 -0.00 -1.27 -2.61 115.11 114.49 3a6p h GLN 264 Ca 0.00 -0.15 0.10 0.00 -0.00 0.00 0.00 58.65 58.61 3a6p h GLN 264 Cb 0.00 -0.17 -0.07 0.00 -0.00 0.00 0.00 27.48 27.24 3a6p h GLN 264 CO 0.00 0.77 0.60 1.25 -0.00 0.00 0.00 178.83 181.46 3a6p h LEU 265 N 0.93 0.85 -0.34 0.06 6.46 -1.87 0.81 115.31 122.20 3a6p h LEU 265 Ca 0.23 0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.90 3a6p h LEU 265 Cb 0.13 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3a6p h LEU 265 CO -0.03 0.49 -0.25 1.23 -0.62 0.00 0.00 178.44 179.26 3a6p h GLY 266 N 0.93 0.84 1.45 3.75 0.00 -1.86 -1.78 103.07 106.41 3a6p h GLY 266 Ca 0.44 -0.81 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3a6p h GLY 266 CO -0.20 0.74 -0.40 0.00 0.00 0.00 0.00 176.54 176.67 3a6p h ALA 267 N 0.76 0.82 -0.87 3.60 0.00 -0.81 -0.15 119.26 122.60 3a6p h ALA 267 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3a6p h ALA 267 Cb 0.81 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3a6p h ALA 267 CO 0.07 0.65 0.57 0.00 0.00 0.00 0.00 179.25 180.54 3a6p h ALA 268 N 1.06 1.11 -0.21 0.00 0.00 0.56 0.18 119.26 121.96 3a6p h ALA 268 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3a6p h ALA 268 Cb 0.92 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a6p h ALA 268 CO 0.08 0.52 -0.39 1.49 0.00 0.00 0.00 179.25 180.95 3a6p h GLU 269 N 1.18 0.47 -0.27 0.00 4.22 -0.86 -0.08 114.58 119.25 3a6p h GLU 269 Ca 0.32 -0.23 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 3a6p h GLU 269 Cb -0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3a6p h GLU 269 CO -0.07 0.79 -0.04 0.00 -2.18 0.00 0.00 179.01 177.51 3a6p h LEU 271 N 0.26 0.87 0.33 0.00 3.38 -0.67 -2.21 115.31 117.27 3a6p h LEU 271 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3a6p h LEU 271 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3a6p h LEU 271 CO 0.02 0.75 -0.16 0.25 0.09 0.00 0.00 178.44 179.39 3a6p h LEU 272 N 0.95 -0.37 -1.54 1.67 6.46 -1.02 -2.19 115.31 119.27 3a6p h LEU 272 Ca 0.23 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3a6p h LEU 272 Cb 0.12 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3a6p h LEU 272 CO -0.03 -0.20 -0.23 0.40 -0.62 0.00 0.00 178.44 177.76 3a6p h ILE 273 N -0.52 0.83 0.21 4.05 2.04 -1.31 -0.34 117.51 122.47 3a6p h ILE 273 Ca -0.05 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3a6p h ILE 273 Cb 0.39 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3a6p h ILE 273 CO 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 178.15 178.34 3a6p h ALA 274 N 1.77 -0.28 -0.00 1.87 0.00 -1.26 -3.25 119.26 118.10 3a6p h ALA 274 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a6p h ALA 274 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a6p h ALA 274 CO 0.03 -0.42 -0.03 1.55 0.00 0.00 0.00 179.25 180.38 3a6p n VAL 275 N -5.01 0.00 -1.12 0.00 3.14 -0.84 -2.64 118.33 111.86 3a6p n VAL 275 Ca -0.09 -0.07 -0.08 0.00 -2.96 0.00 0.00 64.34 61.14 3a6p n VAL 275 Cb 0.26 -0.16 0.27 0.00 -1.06 0.00 0.00 33.84 33.16 3a6p n VAL 275 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a6p n SER 276 N -0.74 4.35 -4.97 6.55 7.64 -0.15 -4.40 113.62 121.89 3a6p n SER 276 Ca 0.19 -3.33 -0.21 0.00 1.01 0.00 0.00 58.87 56.53 3a6p n SER 276 Cb 0.22 -0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 3a6p n SER 276 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3a6p s ARG 277 N -3.06 3.35 0.00 1.43 0.52 -1.08 -4.97 118.95 115.13 3a6p s ARG 277 Ca 0.54 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 3a6p s ARG 277 Cb 0.44 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 33.09 3a6p s ARG 277 CO 0.11 0.26 0.00 1.63 0.02 0.00 0.00 175.30 177.32 3a6p n LYS 278 N -1.56 0.75 0.00 3.54 4.76 -1.26 -5.09 118.16 119.30 3a6p n LYS 278 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3a6p n LYS 278 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 3a6p n LYS 278 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a6p n GLY 279 N 5.00 -1.29 3.66 0.72 0.00 -1.26 -4.81 105.19 107.21 3a6p n GLY 279 Ca 0.00 -1.25 -0.56 0.00 0.00 0.00 0.00 46.02 44.21 3a6p n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a6p n LYS 280 N -0.17 1.08 0.18 1.61 4.81 -1.26 -4.85 118.16 119.57 3a6p n LYS 280 Ca 0.00 0.39 0.05 0.00 -0.87 0.00 0.00 58.31 57.88 3a6p n LYS 280 Cb 0.00 -2.05 0.31 0.00 0.02 0.00 0.00 35.03 33.31 3a6p n LYS 280 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3a6p h LEU 281 N 6.09 0.00 -1.42 3.14 4.07 -1.99 -3.26 115.31 121.95 3a6p h LEU 281 Ca -0.47 0.00 0.23 0.00 0.08 0.00 0.00 57.88 57.72 3a6p h LEU 281 Cb 1.33 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.99 3a6p h LEU 281 CO 0.89 0.40 0.64 -0.33 -1.08 0.00 0.00 178.44 178.96 3a6p h GLU 282 N 0.00 0.41 -0.53 1.13 5.08 -1.98 -0.10 114.58 118.59 3a6p h GLU 282 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3a6p h GLU 282 Cb 0.93 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3a6p h GLU 282 CO 0.05 0.27 0.00 -0.40 -1.00 0.00 0.00 179.01 177.94 3a6p n ASP 283 N -4.57 3.49 -0.03 1.42 3.85 -1.23 -3.93 116.55 115.55 3a6p n ASP 283 Ca 0.22 -1.98 -0.09 0.00 -0.71 0.00 0.00 54.79 52.24 3a6p n ASP 283 Cb 0.78 -0.35 -0.14 0.00 -1.35 0.00 0.00 41.12 40.06 3a6p n ASP 283 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3a6p n ARG 284 N 1.45 0.64 -0.25 0.11 5.12 -0.06 -4.30 116.66 119.37 3a6p n ARG 284 Ca 0.21 0.25 0.16 0.00 -1.93 0.00 0.00 57.85 56.54 3a6p n ARG 284 Cb 0.58 -1.75 0.30 0.00 -1.16 0.00 0.00 32.46 30.43 3a6p n ARG 284 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3a6p n LYS 285 N -2.99 -0.05 0.00 5.56 5.02 -1.14 0.14 118.16 124.69 3a6p n LYS 285 Ca -0.19 1.07 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 3a6p n LYS 285 Cb 1.06 -1.79 0.64 0.00 -0.02 0.00 0.00 35.03 34.92 3a6p n LYS 285 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3a6p n PRO 286 N -4.88 0.65 0.01 1.97 -0.02 -1.26 -2.33 135.00 129.13 3a6p n PRO 286 Ca 0.22 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3a6p n PRO 286 Cb 0.72 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 33.05 3a6p n PRO 286 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a6p n LEU 287 N -1.02 0.05 0.00 2.45 4.77 0.36 -3.06 117.00 120.55 3a6p n LEU 287 Ca 0.16 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 3a6p n LEU 287 Cb 0.08 -0.50 0.50 0.00 -2.33 0.00 0.00 43.42 41.16 3a6p n LEU 287 CO 0.12 -0.24 0.84 0.23 -1.33 0.00 0.00 177.39 177.01 3a6p n MET 288 N -1.55 0.14 0.27 3.23 2.81 -0.99 -2.81 117.12 118.22 3a6p n MET 288 Ca 0.04 0.11 0.13 0.00 -1.81 0.00 0.00 57.70 56.17 3a6p n MET 288 Cb 0.19 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.94 3a6p n MET 288 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a6p h VAL 289 N 0.00 0.57 0.00 2.03 2.07 -1.79 -0.98 116.25 118.14 3a6p h VAL 289 Ca 0.00 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3a6p h VAL 289 Cb 0.30 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3a6p h VAL 289 CO 0.00 0.11 -0.09 -0.07 0.02 0.00 0.00 177.57 177.54 3a6p h LEU 290 N 0.00 0.00 -0.07 2.57 3.38 -1.81 0.56 115.31 119.94 3a6p h LEU 290 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 290 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a6p h LEU 290 CO 0.01 0.09 0.00 0.49 0.09 0.00 0.00 178.44 179.12 3a6p n PHE 291 N -3.61 0.17 -0.88 1.13 3.01 -0.37 -3.46 117.46 113.45 3a6p n PHE 291 Ca -0.02 0.06 -0.33 0.00 1.01 0.00 0.00 57.45 58.17 3a6p n PHE 291 Cb 0.20 -0.59 0.13 0.00 -0.01 0.00 0.00 39.48 39.21 3a6p n PHE 291 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a6p n GLY 292 N 0.74 -0.87 0.27 1.37 0.00 0.19 -4.52 105.19 102.38 3a6p n GLY 292 Ca 0.05 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 3a6p n GLY 292 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a6p h ASP 293 N -1.39 0.58 0.26 1.61 5.19 -1.91 -0.57 116.42 120.19 3a6p h ASP 293 Ca -0.44 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 3a6p h ASP 293 Cb 1.29 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3a6p h ASP 293 CO 0.40 0.37 -0.12 0.58 -3.12 0.00 0.00 179.24 177.35 3a6p h VAL 294 N 0.72 0.75 0.02 -1.35 2.07 -1.92 -3.13 116.25 113.40 3a6p h VAL 294 Ca 0.32 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3a6p h VAL 294 Cb 0.23 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3a6p h VAL 294 CO -0.20 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 177.49 3a6p h ALA 295 N -0.21 -0.06 0.00 1.67 0.00 -1.81 -2.55 119.26 116.30 3a6p h ALA 295 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a6p h ALA 295 Cb 0.50 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a6p h ALA 295 CO 0.06 -0.55 -0.00 1.98 0.00 0.00 0.00 179.25 180.74 3a6p h MET 296 N -0.10 0.00 -0.11 0.00 -1.53 -1.13 -0.64 114.93 111.42 3a6p h MET 296 Ca 0.02 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.04 3a6p h MET 296 Cb 0.11 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.17 3a6p h MET 296 CO -0.04 0.00 -0.84 1.25 0.14 0.00 0.00 176.91 177.42 3a6p h HIS 297 N 0.00 1.04 0.05 1.39 6.17 -1.39 -0.71 115.15 121.69 3a6p h HIS 297 Ca -0.00 -0.49 -0.23 0.00 0.71 0.00 0.00 60.37 60.36 3a6p h HIS 297 Cb 0.06 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 3a6p h HIS 297 CO 0.00 1.32 -1.06 1.88 0.71 0.00 0.00 177.93 180.78 3a6p h TYR 298 N 0.50 0.23 0.14 5.26 -1.99 -1.16 -2.54 116.97 117.41 3a6p h TYR 298 Ca -0.07 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3a6p h TYR 298 Cb 1.47 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.19 3a6p h TYR 298 CO 0.09 1.09 -0.07 0.82 -0.00 0.00 0.00 178.16 180.09 3a6p h ILE 299 N 0.04 0.95 -0.25 -2.88 1.08 -1.24 -2.53 117.51 112.69 3a6p h ILE 299 Ca -0.06 -0.41 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 3a6p h ILE 299 Cb 1.79 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.74 3a6p h ILE 299 CO 0.16 0.10 -0.07 0.25 -0.69 0.00 0.00 178.15 177.89 3a6p h LEU 300 N -0.39 0.37 -0.60 1.44 6.46 -1.18 -2.32 115.31 119.09 3a6p h LEU 300 Ca -0.02 -0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.53 3a6p h LEU 300 Cb 0.31 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3a6p h LEU 300 CO 0.03 0.49 -0.30 -1.28 -0.62 0.00 0.00 178.44 176.76 3a6p h SER 301 N 0.37 0.82 0.43 1.25 0.87 -1.33 0.97 113.55 116.94 3a6p h SER 301 Ca 0.08 -0.33 -0.15 0.00 -1.23 0.00 0.00 61.79 60.16 3a6p h SER 301 Cb 0.37 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3a6p h SER 301 CO 0.02 1.06 -0.64 0.00 -0.53 0.00 0.00 176.83 176.73 3a6p h ALA 302 N 0.99 0.83 0.00 6.23 0.00 -1.28 -2.99 119.26 123.04 3a6p h ALA 302 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a6p h ALA 302 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3a6p h ALA 302 CO 0.07 0.76 -0.05 0.00 0.00 0.00 0.00 179.25 180.03 3a6p h ALA 303 N 1.19 0.97 0.03 0.00 0.00 -0.94 -2.99 119.26 117.52 3a6p h ALA 303 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3a6p h ALA 303 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3a6p h ALA 303 CO 0.10 0.00 -1.00 1.96 0.00 0.00 0.00 179.25 180.31 3a6p h GLN 304 N 0.00 0.26 0.00 0.00 4.20 -0.78 -2.89 115.11 115.90 3a6p h GLN 304 Ca 0.00 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3a6p h GLN 304 Cb 0.92 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3a6p h GLN 304 CO 0.00 1.07 0.00 0.25 -0.67 0.00 0.00 178.83 179.48 3a6p n THR 305 N -3.63 0.49 -0.09 -0.54 -2.24 -1.13 -4.03 114.28 103.11 3a6p n THR 305 Ca -0.05 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3a6p n THR 305 Cb 0.88 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3a6p n THR 305 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6p n ALA 306 N -1.15 0.79 -0.00 6.98 0.00 -1.09 -4.76 120.51 121.28 3a6p n ALA 306 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 3a6p n ALA 306 Cb 0.03 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 17.51 3a6p n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a6p h ASP 307 N 7.20 -0.00 0.00 0.00 3.32 -1.88 -3.47 116.42 121.58 3a6p h ASP 307 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a6p h ASP 307 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a6p h ASP 307 CO 0.76 -0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 3a6p n GLY 308 N -1.00 2.99 2.79 2.75 0.00 -1.26 -4.98 105.19 106.49 3a6p n GLY 308 Ca -0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3a6p n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLY 309 N 0.00 4.38 0.00 -0.02 0.00 -1.26 -4.78 105.19 103.51 3a6p n GLY 309 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3a6p n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLY 310 N 3.96 4.02 3.55 -0.02 0.00 -1.26 -4.98 105.19 110.46 3a6p n GLY 310 Ca 0.50 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3a6p n GLY 310 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a6p s LEU 311 N 0.00 3.25 -0.45 0.99 2.96 -1.26 -4.94 118.68 119.23 3a6p s LEU 311 Ca 0.00 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 3a6p s LEU 311 Cb 0.00 -2.54 0.08 0.00 0.50 0.00 0.00 46.19 44.23 3a6p s LEU 311 CO 0.00 -2.25 0.34 -0.69 -1.32 0.00 0.00 176.35 172.43 3a6p s VAL 312 N 8.15 4.68 0.28 1.68 1.01 -1.26 -4.99 120.40 129.95 3a6p s VAL 312 Ca 0.58 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3a6p s VAL 312 Cb -0.10 -3.87 0.34 0.00 0.00 0.00 0.00 36.38 32.75 3a6p s VAL 312 CO 0.13 -0.59 1.61 -0.08 0.00 0.00 0.00 175.10 176.18 3a6p h GLU 313 N 8.58 0.09 -0.34 2.72 4.81 -1.99 0.27 114.58 128.71 3a6p h GLU 313 Ca -0.25 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3a6p h GLU 313 Cb 1.09 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 3a6p h GLU 313 CO 0.84 0.06 0.11 -0.22 -0.73 0.00 0.00 179.01 179.07 3a6p h LYS 314 N 0.09 0.25 -0.11 1.92 3.64 -2.00 -2.47 116.57 117.89 3a6p h LYS 314 Ca 0.52 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.66 3a6p h LYS 314 Cb 1.01 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3a6p h LYS 314 CO -0.77 0.17 -0.82 1.25 -2.27 0.00 0.00 179.45 177.01 3a6p h HIS 315 N 0.26 0.98 -0.25 1.91 2.76 -0.98 -2.44 115.15 117.38 3a6p h HIS 315 Ca 0.16 -0.45 -0.11 0.00 -2.20 0.00 0.00 60.37 57.76 3a6p h HIS 315 Cb 0.13 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3a6p h HIS 315 CO -0.15 1.28 -0.32 -0.92 -1.30 0.00 0.00 177.93 176.52 3a6p h TYR 316 N 0.47 0.61 -0.05 5.26 3.20 -0.88 -0.46 116.97 125.12 3a6p h TYR 316 Ca -0.06 -0.15 -0.17 0.00 3.14 0.00 0.00 58.73 61.49 3a6p h TYR 316 Cb 1.45 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 3a6p h TYR 316 CO 0.08 0.79 -0.70 0.28 -1.64 0.00 0.00 178.16 176.97 3a6p h VAL 317 N 0.46 1.42 0.10 1.81 2.07 -1.31 -0.01 116.25 120.77 3a6p h VAL 317 Ca 0.05 -2.19 -0.00 0.00 0.82 0.00 0.00 66.70 65.38 3a6p h VAL 317 Cb 0.78 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3a6p h VAL 317 CO 0.06 0.65 -0.05 0.15 0.02 0.00 0.00 177.57 178.40 3a6p h PHE 318 N 0.17 -0.12 -0.76 1.57 3.57 -1.15 -2.99 116.94 117.23 3a6p h PHE 318 Ca -0.02 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3a6p h PHE 318 Cb 1.25 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 3a6p h PHE 318 CO 0.03 0.04 0.41 -0.07 -2.23 0.00 0.00 178.31 176.48 3a6p h LEU 319 N -0.25 0.57 -1.41 0.59 3.38 -0.61 0.29 115.31 117.87 3a6p h LEU 319 Ca -0.01 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.19 3a6p h LEU 319 Cb 0.21 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3a6p h LEU 319 CO 0.02 0.33 0.58 0.11 0.09 0.00 0.00 178.44 179.57 3a6p h LYS 320 N 0.70 0.51 0.13 1.13 1.57 -1.03 -0.52 116.57 119.06 3a6p h LYS 320 Ca 0.37 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 3a6p h LYS 320 Cb 0.35 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.57 3a6p h LYS 320 CO -0.25 0.34 -0.76 -0.09 -0.57 0.00 0.00 179.45 178.12 3a6p h ARG 321 N 0.53 0.28 0.00 3.15 9.65 -0.37 -3.09 114.38 124.53 3a6p h ARG 321 Ca 0.46 -0.48 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3a6p h ARG 321 Cb 0.96 0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3a6p h ARG 321 CO -0.20 1.23 -0.14 1.25 2.80 0.00 0.00 179.97 184.91 3a6p h LEU 322 N -0.41 0.00 0.15 3.80 5.85 -0.75 -2.26 115.31 121.69 3a6p h LEU 322 Ca -0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3a6p h LEU 322 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3a6p h LEU 322 CO 0.14 0.14 -0.07 0.00 -0.34 0.00 0.00 178.44 178.31 3a6p h GLN 324 N -0.63 0.00 -0.24 0.00 4.20 -1.36 0.17 115.11 117.26 3a6p h GLN 324 Ca -0.02 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3a6p h GLN 324 Cb 0.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3a6p h GLN 324 CO 0.03 0.00 -0.21 0.28 -0.67 0.00 0.00 178.83 178.26 3a6p h VAL 325 N 0.00 1.32 0.00 -0.54 2.07 -1.23 -0.59 116.25 117.28 3a6p h VAL 325 Ca 0.25 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 3a6p h VAL 325 Cb 1.02 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3a6p h VAL 325 CO -0.00 0.43 -0.36 -0.07 0.02 0.00 0.00 177.57 177.58 3a6p h LEU 326 N 0.27 0.00 0.12 2.57 3.38 -0.19 -0.93 115.31 120.53 3a6p h LEU 326 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a6p h LEU 326 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3a6p h LEU 326 CO 0.05 0.36 -0.06 0.00 0.09 0.00 0.00 178.44 178.89 3a6p h ALA 328 N 0.14 1.29 -0.02 0.00 0.00 -0.94 -1.36 119.26 118.37 3a6p h ALA 328 Ca -0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3a6p h ALA 328 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3a6p h ALA 328 CO 0.03 0.46 -0.77 1.25 0.00 0.00 0.00 179.25 180.22 3a6p h LEU 329 N 0.00 0.20 0.14 0.00 6.46 -1.20 -1.47 115.31 119.45 3a6p h LEU 329 Ca -0.00 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3a6p h LEU 329 Cb 0.70 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 3a6p h LEU 329 CO 0.05 0.90 -0.07 1.23 -0.62 0.00 0.00 178.44 179.93 3a6p h GLY 330 N 1.83 -0.20 2.00 3.75 0.00 -0.87 -2.74 103.07 106.83 3a6p h GLY 330 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3a6p h GLY 330 CO 0.11 -0.07 0.00 3.43 0.00 0.00 0.00 176.54 180.01 3a6p h ASN 331 N -0.21 0.00 0.21 0.19 4.21 -0.94 -1.74 115.58 117.30 3a6p h ASN 331 Ca -0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 3a6p h ASN 331 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3a6p h ASN 331 CO 0.03 0.00 -0.10 1.56 -1.29 0.00 0.00 177.43 177.63 3a6p h GLN 332 N 0.00 -0.27 -0.60 0.81 1.08 -1.14 -2.37 115.11 112.62 3a6p h GLN 332 Ca 0.00 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 3a6p h GLN 332 Cb 0.07 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.45 3a6p h GLN 332 CO 0.00 -0.18 -0.15 1.25 -0.95 0.00 0.00 178.83 178.80 3a6p h LEU 333 N -1.04 -0.55 -0.25 1.46 5.85 -1.15 -1.77 115.31 117.86 3a6p h LEU 333 Ca -0.03 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3a6p h LEU 333 Cb 0.21 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3a6p h LEU 333 CO 0.05 -0.20 -0.52 0.00 -0.34 0.00 0.00 178.44 177.43 3a6p n ALA 335 N -3.02 1.44 -0.03 0.00 0.00 -0.73 -3.58 120.51 114.60 3a6p n ALA 335 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3a6p n ALA 335 Cb 0.34 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3a6p n ALA 335 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a6p n LEU 336 N -1.24 1.82 -0.03 0.00 4.77 0.83 -4.18 117.00 118.98 3a6p n LEU 336 Ca 0.02 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3a6p n LEU 336 Cb 0.03 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 3a6p n LEU 336 CO 0.03 0.42 0.42 -0.07 -1.33 0.00 0.00 177.39 176.86 3a6p h LEU 337 N 0.00 0.39 -0.95 2.23 3.38 -0.51 -3.18 115.31 116.67 3a6p h LEU 337 Ca -0.14 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3a6p h LEU 337 Cb 1.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3a6p h LEU 337 CO -0.01 1.00 0.00 1.23 0.09 0.00 0.00 178.44 180.74 3a6p h GLY 338 N -0.19 0.00 -0.30 0.83 0.00 -1.79 -0.81 103.07 100.80 3a6p h GLY 338 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a6p h GLY 338 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 3a6p n ALA 339 N -1.81 2.51 -1.47 3.60 0.00 -1.20 -4.92 120.51 117.22 3a6p n ALA 339 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 3a6p n ALA 339 Cb 0.20 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3a6p n ALA 339 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3a6p n ASP 340 N -0.20 -1.79 -2.25 0.00 5.68 -0.31 -4.77 116.55 112.91 3a6p n ASP 340 Ca 0.08 0.20 -0.18 0.00 -0.50 0.00 0.00 54.79 54.38 3a6p n ASP 340 Cb 0.13 -1.85 -0.13 0.00 -1.14 0.00 0.00 41.12 38.13 3a6p n ASP 340 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3a6p n SER 341 N -0.13 5.87 0.00 -1.12 2.88 -1.25 -4.71 113.62 115.16 3a6p n SER 341 Ca -0.06 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 3a6p n SER 341 Cb 0.28 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 3a6p n SER 341 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3a6p n ASP 342 N 2.22 0.00 -4.53 -3.46 10.43 -1.26 -4.96 116.55 114.99 3a6p n ASP 342 Ca 0.48 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 57.37 3a6p n ASP 342 Cb 0.77 -0.04 -0.05 0.00 1.84 0.00 0.00 41.12 43.64 3a6p n ASP 342 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3a6p n VAL 343 N -0.63 0.28 -1.15 2.53 0.31 -1.26 -4.95 118.33 113.46 3a6p n VAL 343 Ca 0.00 -0.37 -0.32 0.00 -0.01 0.00 0.00 64.34 63.64 3a6p n VAL 343 Cb 0.00 -2.16 0.11 0.00 -0.91 0.00 0.00 33.84 30.88 3a6p n VAL 343 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3a6p s GLU 344 N 6.27 1.88 0.08 5.55 0.41 -1.26 -4.85 118.70 126.77 3a6p s GLU 344 Ca 1.05 1.41 -0.31 0.00 -0.41 0.00 0.00 54.97 56.71 3a6p s GLU 344 Cb -0.56 -1.84 -0.09 0.00 -1.78 0.00 0.00 34.13 29.86 3a6p s GLU 344 CO 0.41 -1.97 1.69 0.99 -0.49 0.00 0.00 175.26 175.90 3a6p s THR 345 N -2.62 2.95 0.52 3.63 2.01 -1.26 -4.95 115.64 115.93 3a6p s THR 345 Ca 0.66 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.84 3a6p s THR 345 Cb -0.21 -3.26 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 3a6p s THR 345 CO 0.53 -0.00 1.09 -2.65 -0.69 0.00 0.00 174.62 172.90 3a6p n PRO 346 N 5.68 1.29 0.04 4.92 -0.02 -1.26 -4.94 135.00 140.71 3a6p n PRO 346 Ca 0.16 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3a6p n PRO 346 Cb 0.40 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 3a6p n PRO 346 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3a6p h SER 347 N 1.13 0.21 -0.55 2.55 0.02 -1.92 -3.13 113.55 111.86 3a6p h SER 347 Ca -0.48 -0.32 -0.30 0.00 -0.84 0.00 0.00 61.79 59.85 3a6p h SER 347 Cb 1.34 -0.07 -0.17 0.00 0.14 0.00 0.00 62.40 63.64 3a6p h SER 347 CO 0.55 1.27 0.38 0.59 -1.14 0.00 0.00 176.83 178.47 3a6p n ASN 348 N -3.33 3.82 -0.26 3.07 4.13 -1.26 -4.40 115.26 117.04 3a6p n ASN 348 Ca -0.14 -2.92 0.02 0.00 1.68 0.00 0.00 54.58 53.22 3a6p n ASN 348 Cb 1.03 -0.73 0.25 0.00 -1.54 0.00 0.00 39.78 38.78 3a6p n ASN 348 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3a6p h PHE 349 N 0.67 0.99 -0.49 3.10 3.57 -1.91 0.11 116.94 122.99 3a6p h PHE 349 Ca 0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3a6p h PHE 349 Cb 1.88 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 3a6p h PHE 349 CO 0.88 0.57 0.27 0.78 -2.23 0.00 0.00 178.31 178.57 3a6p h GLY 350 N 1.02 0.71 1.24 2.40 0.00 -1.87 -1.62 103.07 104.94 3a6p h GLY 350 Ca 0.33 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 3a6p h GLY 350 CO -0.10 0.29 -0.53 0.50 0.00 0.00 0.00 176.54 176.69 3a6p h LYS 351 N 0.67 0.80 -0.27 4.80 1.57 -1.21 -1.54 116.57 121.39 3a6p h LYS 351 Ca 0.17 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3a6p h LYS 351 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3a6p h LYS 351 CO -0.03 1.13 0.17 -0.92 -0.57 0.00 0.00 179.45 179.23 3a6p h TYR 352 N 0.62 0.35 0.40 -1.35 3.20 -0.45 -2.04 116.97 117.69 3a6p h TYR 352 Ca 0.02 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3a6p h TYR 352 Cb 1.12 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 3a6p h TYR 352 CO 0.06 0.25 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.53 3a6p h LEU 353 N 0.35 -0.56 -1.76 2.82 3.38 -1.28 0.74 115.31 119.01 3a6p h LEU 353 Ca 0.10 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.26 3a6p h LEU 353 Cb -0.01 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3a6p h LEU 353 CO -0.02 -0.37 0.48 -0.08 0.09 0.00 0.00 178.44 178.54 3a6p h GLU 354 N -0.59 0.23 0.00 1.13 4.81 -1.20 0.18 114.58 119.14 3a6p h GLU 354 Ca -0.05 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3a6p h GLU 354 Cb 0.48 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3a6p h GLU 354 CO 0.06 0.15 -0.19 1.03 -0.73 0.00 0.00 179.01 179.33 3a6p h SER 355 N 0.24 0.00 -0.49 1.04 0.87 -0.83 -2.96 113.55 111.41 3a6p h SER 355 Ca 0.34 -0.85 0.10 0.00 -1.23 0.00 0.00 61.79 60.15 3a6p h SER 355 Cb 1.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3a6p h SER 355 CO -0.07 1.03 0.34 0.15 -0.53 0.00 0.00 176.83 177.75 3a6p h PHE 356 N -1.00 0.24 -0.47 2.24 3.57 0.13 -1.84 116.94 119.81 3a6p h PHE 356 Ca -0.05 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 3a6p h PHE 356 Cb 0.97 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3a6p h PHE 356 CO 0.23 0.11 -0.19 1.25 -2.23 0.00 0.00 178.31 177.48 3a6p h LEU 357 N 0.22 0.95 -0.97 0.59 6.46 -0.71 -2.30 115.31 119.56 3a6p h LEU 357 Ca 0.23 -0.34 0.25 0.00 -0.12 0.00 0.00 57.88 57.90 3a6p h LEU 357 Cb 0.62 -0.26 -0.18 0.00 -0.73 0.00 0.00 40.66 40.11 3a6p h LEU 357 CO -0.04 1.11 -0.02 0.00 -0.62 0.00 0.00 178.44 178.86 3a6p n ALA 358 N -2.51 0.45 0.12 1.25 0.00 -0.69 -0.68 120.51 118.45 3a6p n ALA 358 Ca 0.01 1.04 -0.01 0.00 0.00 0.00 0.00 53.44 54.47 3a6p n ALA 358 Cb 0.44 -0.74 0.09 0.00 0.00 0.00 0.00 19.45 19.24 3a6p n ALA 358 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3a6p h PHE 359 N 0.00 0.00 0.00 0.00 -1.00 -1.48 -2.92 116.94 111.54 3a6p h PHE 359 Ca 0.57 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.28 3a6p h PHE 359 Cb 1.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 3a6p h PHE 359 CO -0.53 0.68 -0.31 1.15 -1.61 0.00 0.00 178.31 177.68 3a6p h THR 360 N 0.00 0.74 -0.01 -1.55 2.02 -0.74 -3.19 112.91 110.18 3a6p h THR 360 Ca -0.01 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3a6p h THR 360 Cb 1.31 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3a6p h THR 360 CO 0.09 0.31 -0.46 0.35 0.37 0.00 0.00 175.52 176.18 3a6p n THR 361 N -3.47 0.00 -2.11 3.16 -2.24 -0.92 -4.76 114.28 103.94 3a6p n THR 361 Ca 0.00 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 3a6p n THR 361 Cb 0.48 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 3a6p n THR 361 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3a6p s HIS 362 N -2.14 3.05 0.53 4.78 5.04 -1.11 -4.93 115.29 120.51 3a6p s HIS 362 Ca 0.12 1.40 0.38 0.00 -1.54 0.00 0.00 55.06 55.42 3a6p s HIS 362 Cb 0.14 -3.68 1.55 0.00 0.04 0.00 0.00 32.58 30.62 3a6p s HIS 362 CO 0.49 -1.89 1.76 -1.35 -2.34 0.00 0.00 174.74 171.42 3a6p h PRO 363 N 3.46 0.03 -6.38 2.88 0.11 -1.91 -3.43 132.00 126.75 3a6p h PRO 363 Ca -0.49 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 3a6p h PRO 363 Cb 1.23 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.35 3a6p h PRO 363 CO 0.66 0.02 1.16 0.45 -0.21 0.00 0.00 178.00 180.07 3a6p s SER 364 N -4.96 6.50 0.26 -2.05 0.15 -1.26 -4.27 113.70 108.07 3a6p s SER 364 Ca -0.05 2.60 -0.05 0.00 0.70 0.00 0.00 55.95 59.15 3a6p s SER 364 Cb 0.24 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.32 3a6p s SER 364 CO 0.82 -1.00 1.94 1.56 1.20 0.00 0.00 173.24 177.76 3a6p h GLN 365 N 9.72 1.25 0.53 5.44 1.08 -1.85 -2.38 115.11 128.92 3a6p h GLN 365 Ca -0.46 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 3a6p h GLN 365 Cb 1.22 -0.28 0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3a6p h GLN 365 CO 0.94 0.83 -0.26 0.35 -0.95 0.00 0.00 178.83 179.75 3a6p h PHE 366 N 1.29 -0.67 -0.84 2.96 3.57 -1.93 -1.40 116.94 119.92 3a6p h PHE 366 Ca 0.35 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.97 3a6p h PHE 366 Cb -0.14 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 3a6p h PHE 366 CO 0.00 -0.36 0.44 -0.07 -2.23 0.00 0.00 178.31 176.09 3a6p h LEU 367 N -0.84 0.56 0.41 0.59 3.38 -1.86 -1.95 115.31 115.60 3a6p h LEU 367 Ca -0.07 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3a6p h LEU 367 Cb 0.60 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3a6p h LEU 367 CO 0.12 0.25 -0.20 0.03 0.09 0.00 0.00 178.44 178.74 3a6p h ARG 368 N 0.66 -0.53 -1.00 1.13 3.08 -1.27 -2.96 114.38 113.48 3a6p h ARG 368 Ca 0.45 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.80 3a6p h ARG 368 Cb 0.59 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 3a6p h ARG 368 CO -0.34 -0.26 0.68 0.77 -1.07 0.00 0.00 179.97 179.75 3a6p h SER 369 N -0.75 0.25 -0.54 7.04 0.02 -0.84 -0.46 113.55 118.28 3a6p h SER 369 Ca -0.06 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3a6p h SER 369 Cb 0.52 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3a6p h SER 369 CO 0.09 0.07 0.25 0.28 -1.14 0.00 0.00 176.83 176.38 3a6p h SER 370 N 0.23 0.71 0.66 3.07 0.02 -1.19 -2.97 113.55 114.07 3a6p h SER 370 Ca 0.52 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3a6p h SER 370 Cb 1.61 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3a6p h SER 370 CO -0.15 0.65 0.00 0.71 -1.14 0.00 0.00 176.83 176.90 3a6p h THR 371 N 0.72 0.00 -0.10 -2.27 1.35 -1.05 -3.28 112.91 108.27 3a6p h THR 371 Ca 0.18 -0.32 0.04 0.00 -0.55 0.00 0.00 66.41 65.76 3a6p h THR 371 Cb 0.13 1.29 -0.06 0.00 -1.73 0.00 0.00 68.15 67.78 3a6p h THR 371 CO -0.02 0.00 -0.42 1.56 -0.25 0.00 0.00 175.52 176.39 3a6p h GLN 372 N 0.00 -0.49 -0.30 4.72 1.08 -1.59 -2.20 115.11 116.33 3a6p h GLN 372 Ca 0.00 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3a6p h GLN 372 Cb 0.33 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 3a6p h GLN 372 CO 0.00 -0.33 0.20 0.52 -0.95 0.00 0.00 178.83 178.28 3a6p h MET 373 N -0.51 0.29 0.02 1.46 2.86 -1.79 0.46 114.93 117.72 3a6p h MET 373 Ca 0.07 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.44 3a6p h MET 373 Cb 0.63 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.24 3a6p h MET 373 CO -0.38 0.19 -1.03 1.15 1.06 0.00 0.00 176.91 177.90 3a6p h THR 374 N 0.30 1.35 -0.26 2.22 2.02 -1.65 -1.64 112.91 115.25 3a6p h THR 374 Ca 0.12 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3a6p h THR 374 Cb 0.13 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3a6p h THR 374 CO -0.03 0.73 0.17 -0.50 0.37 0.00 0.00 175.52 176.26 3a6p h TRP 375 N 0.28 0.34 -0.57 3.16 -0.00 -0.80 0.25 115.95 118.61 3a6p h TRP 375 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 58.89 58.89 3a6p h TRP 375 Cb 1.68 -0.11 -0.11 0.00 -0.00 0.00 0.00 29.16 30.62 3a6p h TRP 375 CO 0.08 0.23 -0.23 0.78 -0.00 0.00 0.00 178.44 179.30 3a6p h GLY 376 N 0.35 0.17 2.00 1.49 0.00 -0.85 0.11 103.07 106.35 3a6p h GLY 376 Ca 0.10 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 3a6p h GLY 376 CO -0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 176.54 175.96 3a6p h ALA 377 N 1.29 1.40 0.00 3.60 0.00 -0.29 -2.76 119.26 122.50 3a6p h ALA 377 Ca 0.26 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3a6p h ALA 377 Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3a6p h ALA 377 CO -0.63 0.42 -0.85 -0.07 0.00 0.00 0.00 179.25 178.12 3a6p h LEU 378 N 0.00 0.00 0.00 0.00 3.38 0.89 -3.09 115.31 116.50 3a6p h LEU 378 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3a6p h LEU 378 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3a6p h LEU 378 CO 0.04 0.85 -1.01 -0.26 0.09 0.00 0.00 178.44 178.16 3a6p h PHE 379 N 0.00 0.00 -0.47 1.13 0.05 -0.57 -3.15 116.94 113.94 3a6p h PHE 379 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3a6p h PHE 379 Cb 1.59 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.54 3a6p h PHE 379 CO 0.00 0.77 0.00 2.89 -0.18 0.00 0.00 178.31 181.79 3a6p n ARG 380 N -3.19 2.43 -3.21 1.51 1.85 -1.10 -4.59 116.66 110.36 3a6p n ARG 380 Ca -0.03 -2.18 -0.40 0.00 -1.00 0.00 0.00 57.85 54.24 3a6p n ARG 380 Cb 0.87 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.72 3a6p n ARG 380 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3a6p s HIS 381 N -1.39 3.35 0.28 2.89 2.46 -1.17 -4.96 115.29 116.75 3a6p s HIS 381 Ca 0.40 0.78 -0.03 0.00 0.47 0.00 0.00 55.06 56.68 3a6p s HIS 381 Cb 0.22 -2.71 0.37 0.00 -0.13 0.00 0.00 32.58 30.33 3a6p s HIS 381 CO 0.30 -0.16 1.93 0.93 -2.47 0.00 0.00 174.74 175.28 3a6p h GLU 382 N 7.58 1.13 0.00 2.88 5.08 -1.90 0.91 114.58 130.27 3a6p h GLU 382 Ca -0.32 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 57.76 3a6p h GLU 382 Cb 1.15 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 3a6p h GLU 382 CO 0.74 0.78 -0.92 0.82 -1.00 0.00 0.00 179.01 179.44 3a6p h ILE 383 N 1.16 1.57 0.08 3.13 5.03 -1.95 -3.33 117.51 123.20 3a6p h ILE 383 Ca 0.31 -3.22 -0.34 0.00 -0.12 0.00 0.00 64.86 61.49 3a6p h ILE 383 Cb -0.07 2.78 -0.03 0.00 -3.03 0.00 0.00 36.82 36.46 3a6p h ILE 383 CO -0.06 0.90 -1.88 0.18 -0.68 0.00 0.00 178.15 176.60 3a6p n LEU 384 N -3.33 2.45 -0.10 1.44 4.77 -0.55 -3.02 117.00 118.67 3a6p n LEU 384 Ca 0.00 0.24 0.26 0.00 -0.03 0.00 0.00 56.01 56.48 3a6p n LEU 384 Cb 0.91 -1.06 0.72 0.00 -2.33 0.00 0.00 43.42 41.66 3a6p n LEU 384 CO 0.46 0.71 1.23 0.77 -1.33 0.00 0.00 177.39 179.23 3a6p h SER 385 N -0.24 0.00 0.03 -1.43 4.64 0.79 0.34 113.55 117.69 3a6p h SER 385 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3a6p h SER 385 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 3a6p h SER 385 CO -0.02 0.00 -0.33 0.54 -0.87 0.00 0.00 176.83 176.15 3a6p n ARG 386 N -4.12 1.34 -2.18 4.77 1.74 -1.24 -4.72 116.66 112.25 3a6p n ARG 386 Ca 0.15 -1.04 -0.43 0.00 -0.77 0.00 0.00 57.85 55.76 3a6p n ARG 386 Cb 0.86 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 3a6p n ARG 386 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a6p s ASP 387 N -2.38 6.36 0.17 0.55 2.15 0.12 -4.89 116.67 118.75 3a6p s ASP 387 Ca 0.22 1.42 -0.02 0.00 0.43 0.00 0.00 52.55 54.60 3a6p s ASP 387 Cb 0.19 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.62 3a6p s ASP 387 CO 0.50 -1.31 0.91 -2.65 -0.17 0.00 0.00 175.17 172.45 3a6p n PRO 388 N 7.75 -0.05 0.29 4.34 -0.02 -1.26 0.29 135.00 146.33 3a6p n PRO 388 Ca 0.18 0.89 0.17 0.00 -2.02 0.00 0.00 63.50 62.72 3a6p n PRO 388 Cb 0.46 -1.36 0.84 0.00 -0.02 0.00 0.00 33.50 33.41 3a6p n PRO 388 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a6p h LEU 389 N 0.00 0.00 0.08 2.45 3.38 -1.93 -0.41 115.31 118.88 3a6p h LEU 389 Ca 0.31 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 3a6p h LEU 389 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 3a6p h LEU 389 CO -0.58 0.05 -0.66 0.25 0.09 0.00 0.00 178.44 177.59 3a6p h LEU 390 N 0.00 0.45 -0.62 1.67 5.85 -0.44 -3.33 115.31 118.89 3a6p h LEU 390 Ca -0.00 -0.88 0.09 0.00 0.84 0.00 0.00 57.88 57.93 3a6p h LEU 390 Cb 0.33 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 3a6p h LEU 390 CO 0.01 1.29 0.25 -0.07 -0.34 0.00 0.00 178.44 179.58 3a6p h LEU 391 N -0.33 0.28 -1.51 2.25 3.38 -0.68 -1.23 115.31 117.47 3a6p h LEU 391 Ca -0.11 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a6p h LEU 391 Cb 1.46 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3a6p h LEU 391 CO 0.13 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3a6p h ALA 392 N 1.41 1.00 0.00 1.53 0.00 -1.26 -2.97 119.26 118.97 3a6p h ALA 392 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a6p h ALA 392 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a6p h ALA 392 CO -0.29 0.00 -1.39 1.51 0.00 0.00 0.00 179.25 179.08 3a6p n ILE 393 N -2.45 0.06 -0.08 0.00 0.13 -0.47 -4.45 119.36 112.10 3a6p n ILE 393 Ca -0.01 -0.27 -0.04 0.00 -1.10 0.00 0.00 62.75 61.34 3a6p n ILE 393 Cb 0.11 0.38 0.18 0.00 -0.84 0.00 0.00 39.64 39.47 3a6p n ILE 393 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 3a6p h ILE 394 N 0.00 1.24 -0.14 9.51 2.04 -1.48 -0.30 117.51 128.37 3a6p h ILE 394 Ca 0.00 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 64.91 3a6p h ILE 394 Cb 0.76 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3a6p h ILE 394 CO 0.00 0.35 -0.30 -0.65 0.00 0.00 0.00 178.15 177.55 3a6p h PRO 395 N 0.68 -0.35 -0.32 2.37 0.11 -1.80 0.30 132.00 132.99 3a6p h PRO 395 Ca 0.13 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 3a6p h PRO 395 Cb 0.46 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3a6p h PRO 395 CO 0.02 -0.24 0.18 0.87 -0.21 0.00 0.00 178.00 178.62 3a6p h LYS 396 N -0.37 0.43 -0.20 1.05 1.57 -1.77 -1.75 116.57 115.54 3a6p h LYS 396 Ca 0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3a6p h LYS 396 Cb 0.52 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3a6p h LYS 396 CO -0.35 0.32 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.81 3a6p h TYR 397 N 0.44 0.51 0.00 -1.35 3.20 -0.30 -2.93 116.97 116.54 3a6p h TYR 397 Ca 0.12 -0.14 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 3a6p h TYR 397 Cb 0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3a6p h TYR 397 CO 0.00 0.75 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.52 3a6p h LEU 398 N 0.12 0.00 -0.85 2.82 3.38 -0.20 -2.00 115.31 118.58 3a6p h LEU 398 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3a6p h LEU 398 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3a6p h LEU 398 CO 0.03 0.68 0.56 -0.09 0.09 0.00 0.00 178.44 179.72 3a6p h ARG 399 N 0.00 1.13 -0.42 1.13 2.43 -1.32 -1.82 114.38 115.51 3a6p h ARG 399 Ca -0.01 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3a6p h ARG 399 Cb 1.32 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3a6p h ARG 399 CO 0.09 0.76 -0.10 0.00 -1.51 0.00 0.00 179.97 179.21 3a6p h ALA 400 N 1.31 1.04 0.00 2.80 0.00 -1.19 -2.94 119.26 120.29 3a6p h ALA 400 Ca 0.31 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3a6p h ALA 400 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3a6p h ALA 400 CO -0.07 0.58 -0.25 0.77 0.00 0.00 0.00 179.25 180.29 3a6p h SER 401 N 0.67 0.00 -0.12 0.00 0.02 -0.80 -0.92 113.55 112.41 3a6p h SER 401 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3a6p h SER 401 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3a6p h SER 401 CO 0.03 0.25 -0.01 0.24 -1.14 0.00 0.00 176.83 176.20 3a6p h MET 402 N 0.00 0.22 -0.10 3.45 2.07 -1.20 -1.19 114.93 118.19 3a6p h MET 402 Ca -0.00 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.48 3a6p h MET 402 Cb 0.53 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 3a6p h MET 402 CO 0.03 0.48 -0.29 1.15 1.07 0.00 0.00 176.91 179.35 3a6p h THR 403 N -0.06 1.25 0.00 2.22 2.02 -1.44 -2.31 112.91 114.58 3a6p h THR 403 Ca 0.03 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3a6p h THR 403 Cb 0.39 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3a6p h THR 403 CO 0.01 0.35 0.00 0.59 0.37 0.00 0.00 175.52 176.83 3a6p n ASN 404 N -4.14 0.50 0.08 4.18 4.13 -0.41 -2.29 115.26 117.30 3a6p n ASN 404 Ca -0.01 0.59 -0.10 0.00 1.68 0.00 0.00 54.58 56.74 3a6p n ASN 404 Cb 0.38 -0.71 -0.09 0.00 -1.54 0.00 0.00 39.78 37.81 3a6p n ASN 404 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3a6p h LEU 405 N 0.00 0.16 -9.63 3.41 4.07 -0.63 -3.46 115.31 109.23 3a6p h LEU 405 Ca 0.00 -0.16 -0.52 0.00 0.08 0.00 0.00 57.88 57.27 3a6p h LEU 405 Cb 0.46 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 42.17 3a6p h LEU 405 CO 0.00 1.08 0.62 -0.69 -1.08 0.00 0.00 178.44 178.37 3a6p s VAL 406 N -2.82 3.44 -1.01 1.22 1.01 -0.97 -4.78 120.40 116.49 3a6p s VAL 406 Ca -0.01 1.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 3a6p s VAL 406 Cb 0.09 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3a6p s VAL 406 CO 0.84 0.16 1.55 -0.75 0.00 0.00 0.00 175.10 176.90 3a6p s LYS 407 N 0.13 3.41 0.04 2.72 2.20 -1.26 -4.94 119.74 122.04 3a6p s LYS 407 Ca 0.57 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 3a6p s LYS 407 Cb -0.34 -5.31 -0.03 0.00 -1.51 0.00 0.00 37.83 30.64 3a6p s LYS 407 CO 0.36 -2.44 -0.04 -1.64 -0.36 0.00 0.00 175.35 171.22 3a6p s MET 408 N 5.34 0.50 0.00 4.03 -1.94 -1.26 -4.95 119.30 121.03 3a6p s MET 408 Ca 0.51 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 3a6p s MET 408 Cb -0.01 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.86 3a6p s MET 408 CO -0.08 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.30 3a6p n GLY 409 N 0.93 0.86 3.73 -0.03 0.00 -1.26 -4.90 105.19 104.52 3a6p n GLY 409 Ca -0.19 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3a6p n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a6p s PHE 410 N -1.75 3.27 0.30 1.61 0.40 -1.26 -4.50 117.98 116.06 3a6p s PHE 410 Ca 0.00 1.20 0.02 0.00 -0.60 0.00 0.00 56.93 57.54 3a6p s PHE 410 Cb 0.00 -3.60 0.73 0.00 0.51 0.00 0.00 43.02 40.67 3a6p s PHE 410 CO 0.00 -1.88 1.59 -1.35 0.70 0.00 0.00 175.22 174.28 3a6p h PRO 411 N 5.63 0.06 0.00 0.24 0.11 -1.81 -1.56 132.00 134.67 3a6p h PRO 411 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3a6p h PRO 411 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3a6p h PRO 411 CO 0.78 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 3a6p n SER 412 N -5.41 0.00 -4.33 -2.05 3.41 -1.26 -4.78 113.62 99.20 3a6p n SER 412 Ca 0.22 -1.26 -0.17 0.00 -0.26 0.00 0.00 58.87 57.41 3a6p n SER 412 Cb 0.73 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.58 3a6p n SER 412 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3a6p s LYS 413 N -2.00 1.42 -0.05 4.33 1.02 -0.59 -5.04 119.74 118.83 3a6p s LYS 413 Ca 0.08 -1.76 0.08 0.00 0.02 0.00 0.00 55.97 54.39 3a6p s LYS 413 Cb 0.04 -0.38 0.12 0.00 -0.52 0.00 0.00 37.83 37.09 3a6p s LYS 413 CO 0.06 -0.25 1.02 -2.37 -0.92 0.00 0.00 175.35 172.89 3a6p n THR 414 N -0.48 0.88 0.26 2.17 5.66 -1.26 -4.78 114.28 116.74 3a6p n THR 414 Ca -0.01 -1.05 0.13 0.00 -3.05 0.00 0.00 64.05 60.07 3a6p n THR 414 Cb 0.66 0.23 0.73 0.00 -1.55 0.00 0.00 70.33 70.40 3a6p n THR 414 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3a6p h ASP 415 N 0.00 0.00 -5.12 1.09 3.04 -1.96 -3.47 116.42 110.00 3a6p h ASP 415 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 3a6p h ASP 415 Cb 1.12 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.31 3a6p h ASP 415 CO 0.00 0.11 -0.00 -0.94 -2.04 0.00 0.00 179.24 176.37 3a6p s SER 416 N -6.11 -0.21 0.14 4.15 1.04 -1.26 -5.03 113.70 106.42 3a6p s SER 416 Ca -0.03 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 55.90 3a6p s SER 416 Cb 0.13 0.58 0.50 0.00 0.10 0.00 0.00 66.02 67.33 3a6p s SER 416 CO 0.58 -1.08 1.27 -0.81 0.98 0.00 0.00 173.24 174.18 3a6p n PRO 417 N -0.35 0.06 0.00 4.02 -0.04 -1.26 -0.57 135.00 136.86 3a6p n PRO 417 Ca -0.08 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3a6p n PRO 417 Cb 0.62 -1.71 0.69 0.00 -0.04 0.00 0.00 33.50 33.06 3a6p n PRO 417 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3a6p n SER 418 N -1.82 0.03 0.03 3.54 7.64 -1.26 -4.14 113.62 117.64 3a6p n SER 418 Ca -0.01 0.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 3a6p n SER 418 Cb 0.03 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.77 3a6p n SER 418 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a6p h GLU 420 N 0.21 0.28 0.00 0.00 4.57 -1.77 -1.79 114.58 116.09 3a6p h GLU 420 Ca -0.11 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.76 3a6p h GLU 420 Cb 1.57 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.17 3a6p h GLU 420 CO 0.18 0.79 -0.55 1.88 -1.18 0.00 0.00 179.01 180.12 3a6p h TYR 421 N 0.21 0.00 0.00 0.92 -1.99 -1.77 -2.41 116.97 111.93 3a6p h TYR 421 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3a6p h TYR 421 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3a6p h TYR 421 CO 0.02 0.55 -0.10 0.43 -0.00 0.00 0.00 178.16 179.07 3a6p n SER 422 N -3.80 0.70 0.05 3.88 7.64 -0.76 -2.08 113.62 119.23 3a6p n SER 422 Ca -0.01 0.49 -0.07 0.00 1.01 0.00 0.00 58.87 60.29 3a6p n SER 422 Cb 0.57 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 3a6p n SER 422 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3a6p h ARG 423 N 0.00 0.00 0.10 1.43 2.43 -0.89 -2.62 114.38 114.83 3a6p h ARG 423 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3a6p h ARG 423 Cb 0.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3a6p h ARG 423 CO 0.00 0.89 -1.18 0.35 -1.51 0.00 0.00 179.97 178.52 3a6p h PHE 424 N 0.00 0.41 0.00 2.20 3.57 -1.19 -3.35 116.94 118.57 3a6p h PHE 424 Ca -0.06 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.15 3a6p h PHE 424 Cb 1.81 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.53 3a6p h PHE 424 CO 0.00 1.22 -0.52 -0.25 -2.23 0.00 0.00 178.31 176.53 3a6p n ASP 425 N -3.51 0.52 -3.85 0.41 8.00 -0.89 -4.99 116.55 112.24 3a6p n ASP 425 Ca -0.07 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.15 3a6p n ASP 425 Cb 1.00 0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 42.22 3a6p n ASP 425 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a6p s PHE 426 N -3.03 -0.04 -0.24 1.24 0.40 -0.99 -5.07 117.98 110.24 3a6p s PHE 426 Ca 0.10 0.10 0.23 0.00 -0.60 0.00 0.00 56.93 56.76 3a6p s PHE 426 Cb 0.17 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.69 3a6p s PHE 426 CO 0.70 -0.18 1.04 -0.40 0.70 0.00 0.00 175.22 177.09 3a6p n ASP 427 N 2.22 0.84 -3.03 1.36 5.75 -1.26 -4.61 116.55 117.83 3a6p n ASP 427 Ca -0.18 0.32 -0.13 0.00 -0.01 0.00 0.00 54.79 54.79 3a6p n ASP 427 Cb 0.57 0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 41.10 3a6p n ASP 427 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3a6p s SER 428 N -5.33 0.68 0.47 -1.12 1.04 -1.26 -5.02 113.70 103.15 3a6p s SER 428 Ca -0.00 -1.42 0.26 0.00 0.48 0.00 0.00 55.95 55.26 3a6p s SER 428 Cb 0.10 0.75 1.08 0.00 0.10 0.00 0.00 66.02 68.05 3a6p s SER 428 CO 0.79 -1.48 1.90 0.44 0.98 0.00 0.00 173.24 175.87 3a6p h ASP 429 N 2.05 0.00 -0.22 7.02 3.45 -1.97 -2.70 116.42 124.05 3a6p h ASP 429 Ca -0.30 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.06 3a6p h ASP 429 Cb 1.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3a6p h ASP 429 CO 0.40 0.19 -0.26 -0.33 -1.57 0.00 0.00 179.24 177.66 3a6p h GLU 430 N 0.00 0.56 0.00 3.56 3.07 -1.99 0.23 114.58 120.01 3a6p h GLU 430 Ca -0.00 -0.31 -0.05 0.00 -0.50 0.00 0.00 59.36 58.49 3a6p h GLU 430 Cb 0.64 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 3a6p h GLU 430 CO 0.02 0.91 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.86 3a6p h ASP 431 N 0.24 0.00 0.15 1.42 3.32 -1.91 -1.76 116.42 117.87 3a6p h ASP 431 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3a6p h ASP 431 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3a6p h ASP 431 CO 0.06 0.24 -0.07 0.15 -1.72 0.00 0.00 179.24 177.90 3a6p h PHE 432 N 0.00 -0.18 -0.44 4.55 3.57 -1.07 -2.36 116.94 121.00 3a6p h PHE 432 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3a6p h PHE 432 Cb 0.51 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.22 3a6p h PHE 432 CO 0.00 0.26 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.14 3a6p h ASN 433 N -0.87 -0.98 -0.78 0.41 2.35 -0.48 0.20 115.58 115.43 3a6p h ASN 433 Ca -0.02 0.19 0.15 0.00 -0.55 0.00 0.00 56.30 56.07 3a6p h ASN 433 Cb 0.53 0.48 -0.10 0.00 0.05 0.00 0.00 38.32 39.28 3a6p h ASN 433 CO 0.03 -0.29 0.33 0.00 -1.65 0.00 0.00 177.43 175.85 3a6p h ALA 434 N 0.94 1.12 -0.20 -0.83 0.00 -1.35 0.56 119.26 119.50 3a6p h ALA 434 Ca 0.20 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 3a6p h ALA 434 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3a6p h ALA 434 CO -0.56 -0.19 -0.52 0.35 0.00 0.00 0.00 179.25 178.33 3a6p h PHE 435 N 0.48 0.90 0.08 0.00 3.57 -0.75 -2.71 116.94 118.51 3a6p h PHE 435 Ca 0.43 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3a6p h PHE 435 Cb 0.65 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3a6p h PHE 435 CO -0.15 1.15 -0.04 0.35 -2.23 0.00 0.00 178.31 177.39 3a6p h PHE 436 N 0.40 -0.10 0.21 0.41 3.57 0.12 0.11 116.94 121.66 3a6p h PHE 436 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3a6p h PHE 436 Cb 1.14 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3a6p h PHE 436 CO 0.09 0.24 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.20 3a6p h ASN 437 N -0.46 -0.85 -0.32 0.41 2.35 -0.08 -1.13 115.58 115.51 3a6p h ASN 437 Ca -0.01 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3a6p h ASN 437 Cb 0.39 0.31 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 3a6p h ASN 437 CO 0.02 -0.41 0.11 0.77 -1.65 0.00 0.00 177.43 176.27 3a6p h SER 438 N -0.58 0.51 -0.61 5.81 4.64 -1.42 -1.94 113.55 119.96 3a6p h SER 438 Ca 0.01 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3a6p h SER 438 Cb 0.57 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3a6p h SER 438 CO -0.12 0.51 0.14 -1.28 -0.87 0.00 0.00 176.83 175.20 3a6p h SER 439 N 0.56 0.94 -0.09 4.97 0.87 -0.53 -3.09 113.55 117.18 3a6p h SER 439 Ca 0.13 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.35 3a6p h SER 439 Cb 0.19 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3a6p h SER 439 CO -0.01 0.94 -0.24 -0.09 -0.53 0.00 0.00 176.83 176.90 3a6p h ARG 440 N 0.90 0.53 -0.61 2.24 2.43 -0.45 0.11 114.38 119.53 3a6p h ARG 440 Ca 0.19 -0.20 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 3a6p h ARG 440 Cb 0.37 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.78 3a6p h ARG 440 CO 0.00 0.73 -0.06 0.00 -1.51 0.00 0.00 179.97 179.14 3a6p h ALA 441 N 1.27 0.53 -0.23 2.80 0.00 -1.39 1.16 119.26 123.40 3a6p h ALA 441 Ca 0.07 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3a6p h ALA 441 Cb 0.68 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3a6p h ALA 441 CO 0.05 -0.41 -0.47 0.37 0.00 0.00 0.00 179.25 178.79 3a6p h GLN 442 N 0.07 0.60 -0.72 0.00 4.15 -1.34 -2.93 115.11 114.93 3a6p h GLN 442 Ca 0.31 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3a6p h GLN 442 Cb 0.50 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 3a6p h GLN 442 CO -0.57 0.94 0.19 0.37 -1.93 0.00 0.00 178.83 177.83 3a6p h GLN 443 N 0.48 1.14 -0.22 1.69 5.75 0.19 -3.05 115.11 121.09 3a6p h GLN 443 Ca 0.03 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 3a6p h GLN 443 Cb 1.00 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 3a6p h GLN 443 CO 0.09 1.00 -0.25 0.78 -2.65 0.00 0.00 178.83 177.79 3a6p h GLY 444 N 1.08 -1.57 1.27 2.39 0.00 0.15 -1.58 103.07 104.82 3a6p h GLY 444 Ca 0.23 0.81 0.10 0.00 0.00 0.00 0.00 47.33 48.47 3a6p h GLY 444 CO 0.00 -0.47 0.27 0.83 0.00 0.00 0.00 176.54 177.16 3a6p h GLU 445 N -0.16 0.00 0.07 4.80 5.08 -1.54 -2.53 114.58 120.30 3a6p h GLU 445 Ca 0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.14 3a6p h GLU 445 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3a6p h GLU 445 CO -0.29 0.00 -1.27 0.28 -1.00 0.00 0.00 179.01 176.73 3a6p h VAL 446 N 0.00 1.43 -0.36 3.13 2.07 -1.32 -3.23 116.25 117.98 3a6p h VAL 446 Ca 0.17 -3.09 -0.10 0.00 0.82 0.00 0.00 66.70 64.50 3a6p h VAL 446 Cb 0.69 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3a6p h VAL 446 CO -0.00 0.87 -0.17 -0.03 0.02 0.00 0.00 177.57 178.26 3a6p h MET 447 N 0.04 0.66 -0.05 1.57 1.85 -0.86 -2.96 114.93 115.18 3a6p h MET 447 Ca -0.13 -0.23 0.03 0.00 -0.61 0.00 0.00 59.70 58.75 3a6p h MET 447 Cb 1.92 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.87 3a6p h MET 447 CO 0.16 0.80 -0.11 0.00 -0.40 0.00 0.00 176.91 177.36 3a6p h ARG 448 N 0.60 -0.16 -0.46 0.39 2.47 -1.55 -1.70 114.38 113.97 3a6p h ARG 448 Ca 0.10 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.94 3a6p h ARG 448 Cb 0.62 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 3a6p h ARG 448 CO 0.04 -0.10 0.32 -0.07 0.56 0.00 0.00 179.97 180.72 3a6p h LEU 449 N -0.16 0.07 0.11 3.04 3.38 -1.55 0.70 115.31 120.90 3a6p h LEU 449 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3a6p h LEU 449 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3a6p h LEU 449 CO -0.14 0.04 -0.05 0.00 0.09 0.00 0.00 178.44 178.37 3a6p h ALA 450 N 1.77 -0.14 -0.78 1.53 0.00 -1.24 -2.79 119.26 117.61 3a6p h ALA 450 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a6p h ALA 450 Cb 0.76 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3a6p h ALA 450 CO -0.02 -0.32 0.51 0.00 0.00 0.00 0.00 179.25 179.43 3a6p h ARG 452 N 1.01 0.22 0.00 0.00 2.43 -0.83 -1.72 114.38 115.49 3a6p h ARG 452 Ca 0.29 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.24 3a6p h ARG 452 Cb -0.05 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3a6p h ARG 452 CO -0.07 0.14 -1.33 -0.07 -1.51 0.00 0.00 179.97 177.13 3a6p h LEU 453 N 0.22 0.00 -6.75 3.80 3.38 -0.85 -3.42 115.31 111.69 3a6p h LEU 453 Ca 0.18 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.55 3a6p h LEU 453 Cb 0.41 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.77 3a6p h LEU 453 CO -0.03 0.80 -0.80 -0.62 0.09 0.00 0.00 178.44 177.87 3a6p s ASP 454 N -6.14 3.19 0.06 -0.43 -1.08 -0.67 -5.01 116.67 106.59 3a6p s ASP 454 Ca -0.02 -2.47 0.25 0.00 -0.52 0.00 0.00 52.55 49.79 3a6p s ASP 454 Cb 0.09 -0.70 0.45 0.00 -1.46 0.00 0.00 42.92 41.30 3a6p s ASP 454 CO 0.81 -0.28 1.38 -0.81 0.52 0.00 0.00 175.17 176.79 3a6p n PRO 455 N 3.71 0.15 -0.05 4.34 -0.04 -1.05 -3.39 135.00 138.67 3a6p n PRO 455 Ca 0.12 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 3a6p n PRO 455 Cb 0.37 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 3a6p n PRO 455 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3a6p h LYS 456 N 0.00 -0.02 -0.44 0.54 6.56 -1.95 -3.30 116.57 117.96 3a6p h LYS 456 Ca 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3a6p h LYS 456 Cb 0.63 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.25 3a6p h LYS 456 CO 0.00 0.57 0.20 1.15 -2.06 0.00 0.00 179.45 179.32 3a6p h THR 457 N -0.98 0.94 -0.85 -0.16 2.02 -1.99 -2.48 112.91 109.41 3a6p h THR 457 Ca -0.00 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3a6p h THR 457 Cb 0.60 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3a6p h THR 457 CO 0.00 0.08 0.55 0.77 0.37 0.00 0.00 175.52 177.29 3a6p h SER 458 N 0.41 0.91 0.33 4.18 4.64 -1.72 -1.57 113.55 120.74 3a6p h SER 458 Ca 0.20 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3a6p h SER 458 Cb 0.13 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3a6p h SER 458 CO -0.16 0.63 -0.16 0.15 -0.87 0.00 0.00 176.83 176.42 3a6p h PHE 459 N 1.07 -0.42 -0.80 4.77 3.57 -1.61 -1.50 116.94 122.02 3a6p h PHE 459 Ca 0.34 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.92 3a6p h PHE 459 Cb -0.00 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3a6p h PHE 459 CO -0.02 -0.19 0.52 0.37 -2.23 0.00 0.00 178.31 176.76 3a6p h GLN 460 N -0.56 0.71 -0.03 1.11 4.15 -0.94 0.45 115.11 120.00 3a6p h GLN 460 Ca -0.05 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.16 3a6p h GLN 460 Cb 0.42 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.96 3a6p h GLN 460 CO 0.08 0.47 -0.65 0.52 -1.93 0.00 0.00 178.83 177.31 3a6p h MET 461 N 0.73 0.49 -0.11 1.69 2.86 -1.32 0.37 114.93 119.64 3a6p h MET 461 Ca 0.37 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3a6p h MET 461 Cb 0.44 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3a6p h MET 461 CO -0.14 1.13 -0.08 0.00 1.06 0.00 0.00 176.91 178.88 3a6p h ALA 462 N 0.37 1.68 -0.15 6.32 0.00 -0.67 -1.36 119.26 125.45 3a6p h ALA 462 Ca -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3a6p h ALA 462 Cb 1.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a6p h ALA 462 CO 0.13 0.24 -0.07 0.78 0.00 0.00 0.00 179.25 180.33 3a6p h GLY 463 N 0.52 0.34 2.00 0.00 0.00 0.03 -2.76 103.07 103.20 3a6p h GLY 463 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3a6p h GLY 463 CO 0.01 0.27 -0.37 0.83 0.00 0.00 0.00 176.54 177.29 3a6p h GLU 464 N -0.02 0.00 -0.26 4.80 4.39 -0.62 -2.26 114.58 120.61 3a6p h GLU 464 Ca 0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3a6p h GLU 464 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3a6p h GLU 464 CO 0.02 0.37 -0.06 2.35 -1.16 0.00 0.00 179.01 180.53 3a6p h TRP 465 N 0.00 0.56 0.26 4.33 2.91 -1.24 -2.41 115.95 120.37 3a6p h TRP 465 Ca -0.00 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 59.90 3a6p h TRP 465 Cb 0.92 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.41 3a6p h TRP 465 CO 0.00 0.71 -0.31 1.25 -1.03 0.00 0.00 178.44 179.06 3a6p h LEU 466 N 0.25 -0.85 -1.06 0.65 6.46 -1.27 0.64 115.31 120.12 3a6p h LEU 466 Ca 0.07 0.08 0.20 0.00 -0.12 0.00 0.00 57.88 58.10 3a6p h LEU 466 Cb 0.53 0.30 -0.10 0.00 -0.73 0.00 0.00 40.66 40.65 3a6p h LEU 466 CO 0.03 -0.43 0.61 0.11 -0.62 0.00 0.00 178.44 178.14 3a6p h LYS 467 N -0.62 0.69 0.14 1.25 1.57 -1.43 -1.05 116.57 117.12 3a6p h LYS 467 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3a6p h LYS 467 Cb 0.59 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3a6p h LYS 467 CO -0.09 0.46 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.26 3a6p h TYR 468 N 0.71 -0.17 -0.47 -1.35 3.20 -0.87 -3.11 116.97 114.92 3a6p h TYR 468 Ca 0.58 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.52 3a6p h TYR 468 Cb 0.97 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 3a6p h TYR 468 CO -0.00 0.21 0.32 1.96 -1.64 0.00 0.00 178.16 179.00 3a6p h GLN 469 N -0.58 0.33 0.00 1.82 1.08 0.33 -2.80 115.11 115.29 3a6p h GLN 469 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3a6p h GLN 469 Cb 0.45 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3a6p h GLN 469 CO 0.03 0.22 0.00 1.28 -0.95 0.00 0.00 178.83 179.41 3a6p n LEU 470 N -4.47 0.32 -2.82 1.46 4.77 -0.61 -3.38 117.00 112.27 3a6p n LEU 470 Ca 0.07 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.47 3a6p n LEU 470 Cb 0.30 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3a6p n LEU 470 CO 0.35 -0.43 -0.08 -1.54 -1.33 0.00 0.00 177.39 174.35 3a6p n SER 471 N -1.86 2.03 -3.46 -1.43 3.41 -1.05 -5.10 113.62 106.16 3a6p n SER 471 Ca 0.02 -3.04 -0.18 0.00 -0.26 0.00 0.00 58.87 55.42 3a6p n SER 471 Cb 0.18 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.50 3a6p n SER 471 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3a6p s THR 472 N -3.40 0.00 0.00 6.66 2.01 -1.22 -5.06 115.64 114.63 3a6p s THR 472 Ca 0.36 -1.94 0.00 0.00 0.31 0.00 0.00 61.69 60.42 3a6p s THR 472 Cb 0.40 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3a6p s THR 472 CO -0.05 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.21 3a6p n PHE 473 N -0.57 0.00 0.00 4.92 7.35 -1.26 -5.11 117.46 122.79 3a6p n PHE 473 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3a6p n PHE 473 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 3a6p n PHE 473 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3a6p n SER 491 N -3.73 0.00 -0.82 -2.13 2.88 -1.26 -5.07 113.62 103.49 3a6p n SER 491 Ca 0.00 -0.62 0.06 0.00 -1.33 0.00 0.00 58.87 56.98 3a6p n SER 491 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 3a6p n SER 491 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3a6p n LEU 492 N 1.79 3.67 0.00 2.46 7.94 -1.26 -4.86 117.00 126.74 3a6p n LEU 492 Ca 0.00 -3.24 0.00 0.00 -1.11 0.00 0.00 56.01 51.66 3a6p n LEU 492 Cb 0.00 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.40 3a6p n LEU 492 CO 0.05 0.84 0.00 0.00 -1.11 0.00 0.00 177.39 177.17 3a6p s SER 494 N 0.74 0.54 0.04 0.00 0.15 -1.26 -4.98 113.70 108.94 3a6p s SER 494 Ca 0.00 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.95 3a6p s SER 494 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 3a6p s SER 494 CO 0.00 -0.38 0.00 0.52 1.20 0.00 0.00 173.24 174.58 3a6p n VAL 495 N 0.98 0.00 -2.72 4.45 0.31 -1.26 -4.92 118.33 115.17 3a6p n VAL 495 Ca -0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 3a6p n VAL 495 Cb 0.57 -0.31 0.10 0.00 -0.91 0.00 0.00 33.84 33.30 3a6p n VAL 495 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a6p n PHE 496 N -2.62 -1.05 -1.35 3.52 3.01 -1.26 -4.97 117.46 112.74 3a6p n PHE 496 Ca 0.00 -1.88 -0.35 0.00 1.01 0.00 0.00 57.45 56.24 3a6p n PHE 496 Cb 0.00 1.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.58 3a6p n PHE 496 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3a6p n SER 497 N -1.20 1.41 0.07 4.37 2.88 -1.26 -4.78 113.62 115.11 3a6p n SER 497 Ca -0.09 0.68 0.20 0.00 -1.33 0.00 0.00 58.87 58.33 3a6p n SER 497 Cb 0.85 -1.52 0.61 0.00 -0.75 0.00 0.00 64.21 63.39 3a6p n SER 497 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3a6p h PRO 498 N -0.34 0.00 0.21 -1.46 0.13 -2.00 -0.89 132.00 127.65 3a6p h PRO 498 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3a6p h PRO 498 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3a6p h PRO 498 CO 0.49 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.81 3a6p h SER 499 N 0.00 -0.24 -0.57 1.44 4.64 -1.98 -2.79 113.55 114.05 3a6p h SER 499 Ca 0.23 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3a6p h SER 499 Cb 1.62 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.75 3a6p h SER 499 CO -0.00 0.20 0.31 0.15 -0.87 0.00 0.00 176.83 176.61 3a6p h PHE 500 N -0.74 0.82 -0.25 4.77 3.57 -1.51 0.33 116.94 123.94 3a6p h PHE 500 Ca -0.03 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 3a6p h PHE 500 Cb 0.50 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3a6p h PHE 500 CO 0.05 0.59 -0.35 0.28 -2.23 0.00 0.00 178.31 176.66 3a6p h VAL 501 N 0.84 1.29 0.00 1.41 2.07 -1.61 -1.05 116.25 119.19 3a6p h VAL 501 Ca 0.21 -1.47 -0.15 0.00 0.82 0.00 0.00 66.70 66.11 3a6p h VAL 501 Cb 0.06 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3a6p h VAL 501 CO -0.03 0.47 -0.72 -0.61 0.02 0.00 0.00 177.57 176.70 3a6p h GLN 502 N 0.47 0.00 -0.07 1.57 5.75 -0.97 -2.58 115.11 119.27 3a6p h GLN 502 Ca 0.05 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 3a6p h GLN 502 Cb 0.82 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.38 3a6p h GLN 502 CO 0.07 0.72 -0.53 -1.49 -2.65 0.00 0.00 178.83 174.95 3a6p h TRP 503 N 0.00 0.67 -0.45 3.99 4.06 -0.12 -2.50 115.95 121.59 3a6p h TRP 503 Ca -0.01 -0.31 -0.05 0.00 2.06 0.00 0.00 58.89 60.58 3a6p h TRP 503 Cb 1.42 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.46 3a6p h TRP 503 CO 0.00 1.10 0.09 1.49 -3.56 0.00 0.00 178.44 177.56 3a6p h GLU 504 N 0.05 0.69 -0.17 0.49 4.81 -1.23 0.13 114.58 119.35 3a6p h GLU 504 Ca -0.05 -0.14 -0.20 0.00 -0.13 0.00 0.00 59.36 58.85 3a6p h GLU 504 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3a6p h GLU 504 CO 0.11 0.65 -0.68 0.00 -0.73 0.00 0.00 179.01 178.35 3a6p h ALA 505 N 1.43 0.47 -0.13 2.92 0.00 -1.51 -2.02 119.26 120.42 3a6p h ALA 505 Ca 0.15 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3a6p h ALA 505 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a6p h ALA 505 CO 0.00 0.70 -0.17 1.98 0.00 0.00 0.00 179.25 181.76 3a6p h MET 506 N 0.50 0.34 -0.15 0.00 1.85 -1.13 -2.12 114.93 114.22 3a6p h MET 506 Ca -0.02 -0.19 0.05 0.00 -0.61 0.00 0.00 59.70 58.92 3a6p h MET 506 Cb 1.28 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.26 3a6p h MET 506 CO 0.14 0.76 -0.37 1.15 -0.40 0.00 0.00 176.91 178.19 3a6p h THR 507 N -0.06 0.21 -0.83 -0.77 2.02 -0.73 -1.42 112.91 111.33 3a6p h THR 507 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3a6p h THR 507 Cb 0.72 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3a6p h THR 507 CO 0.04 0.00 0.51 0.25 0.37 0.00 0.00 175.52 176.69 3a6p h LEU 508 N -0.43 0.79 -0.00 2.58 5.85 -1.38 -0.02 115.31 122.70 3a6p h LEU 508 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a6p h LEU 508 Cb 0.59 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3a6p h LEU 508 CO -0.39 0.50 0.00 0.15 -0.34 0.00 0.00 178.44 178.36 3a6p h PHE 509 N 0.92 0.01 0.30 1.25 3.57 -0.83 -2.56 116.94 119.59 3a6p h PHE 509 Ca 0.37 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 3a6p h PHE 509 Cb 0.20 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3a6p h PHE 509 CO -0.04 0.19 -0.27 1.25 -2.23 0.00 0.00 178.31 177.21 3a6p h LEU 510 N -0.18 -0.72 -1.74 0.59 5.85 -0.70 0.61 115.31 119.01 3a6p h LEU 510 Ca 0.00 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3a6p h LEU 510 Cb 0.19 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3a6p h LEU 510 CO -0.00 -0.40 0.38 -0.08 -0.34 0.00 0.00 178.44 178.00 3a6p h GLU 511 N -0.59 0.28 -0.10 1.25 4.81 -1.06 0.33 114.58 119.50 3a6p h GLU 511 Ca -0.01 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 3a6p h GLU 511 Cb 0.54 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3a6p h GLU 511 CO -0.04 0.18 -0.76 1.03 -0.73 0.00 0.00 179.01 178.70 3a6p h SER 512 N 0.29 0.85 -0.41 1.04 0.87 -0.99 -3.05 113.55 112.15 3a6p h SER 512 Ca 0.26 -0.66 -0.12 0.00 -1.23 0.00 0.00 61.79 60.04 3a6p h SER 512 Cb 0.64 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3a6p h SER 512 CO -0.06 1.38 -0.17 0.58 -0.53 0.00 0.00 176.83 178.02 3a6p h VAL 513 N 0.38 1.27 -0.15 2.23 2.07 0.19 -2.81 116.25 119.43 3a6p h VAL 513 Ca -0.06 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.04 3a6p h VAL 513 Cb 1.40 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3a6p h VAL 513 CO 0.15 0.45 -0.32 0.40 0.02 0.00 0.00 177.57 178.27 3a6p h ILE 514 N 0.79 1.36 -0.65 4.57 1.08 -0.97 -1.02 117.51 122.68 3a6p h ILE 514 Ca 0.11 -1.58 -0.05 0.00 -0.39 0.00 0.00 64.86 62.96 3a6p h ILE 514 Cb 0.71 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 3a6p h ILE 514 CO 0.05 0.47 0.22 0.74 -0.69 0.00 0.00 178.15 178.95 3a6p h THR 515 N 0.11 1.24 -0.66 -0.27 2.02 -1.60 -1.57 112.91 112.18 3a6p h THR 515 Ca 0.00 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 3a6p h THR 515 Cb 0.92 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3a6p h THR 515 CO 0.07 0.31 0.13 -0.61 0.37 0.00 0.00 175.52 175.79 3a6p h GLN 516 N 0.94 1.07 0.00 6.66 5.75 -1.49 -3.10 115.11 124.94 3a6p h GLN 516 Ca 0.21 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3a6p h GLN 516 Cb 0.24 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3a6p h GLN 516 CO -0.01 0.97 -0.31 1.98 -2.65 0.00 0.00 178.83 178.81 3a6p h MET 517 N 0.99 0.00 -1.13 1.69 4.05 -0.25 -2.48 114.93 117.80 3a6p h MET 517 Ca 0.20 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.36 3a6p h MET 517 Cb 0.41 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.06 3a6p h MET 517 CO 0.01 0.31 0.34 1.19 0.23 0.00 0.00 176.91 178.98 3a6p n PHE 518 N -4.14 1.46 0.00 1.39 3.01 -0.75 -2.49 117.46 115.95 3a6p n PHE 518 Ca -0.02 -1.34 0.00 0.00 1.01 0.00 0.00 57.45 57.10 3a6p n PHE 518 Cb 0.35 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 3a6p n PHE 518 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a6p n ARG 519 N -0.11 0.11 -0.08 -1.08 1.74 -0.95 -4.95 116.66 111.34 3a6p n ARG 519 Ca 0.28 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.28 3a6p n ARG 519 Cb 0.93 -0.56 -0.04 0.00 -1.02 0.00 0.00 32.46 31.77 3a6p n ARG 519 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3a6p h THR 520 N 0.00 0.27 -3.34 0.55 1.35 -1.57 -3.45 112.91 106.71 3a6p h THR 520 Ca 0.00 -1.32 -0.53 0.00 -0.55 0.00 0.00 66.41 64.01 3a6p h THR 520 Cb 0.12 0.63 0.08 0.00 -1.73 0.00 0.00 68.15 67.25 3a6p h THR 520 CO 0.00 0.09 0.86 -0.76 -0.25 0.00 0.00 175.52 175.46 3a6p s LEU 521 N -8.17 4.35 0.34 3.87 1.43 -1.04 -4.93 118.68 114.54 3a6p s LEU 521 Ca -0.17 2.89 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 3a6p s LEU 521 Cb 0.03 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 3a6p s LEU 521 CO 0.30 -0.87 1.02 0.21 0.23 0.00 0.00 176.35 177.24 3a6p s ASN 522 N 0.46 7.11 0.02 2.29 2.47 -1.26 -4.74 114.94 121.30 3a6p s ASN 522 Ca 0.62 2.01 0.01 0.00 0.42 0.00 0.00 52.86 55.92 3a6p s ASN 522 Cb -0.46 -2.59 0.06 0.00 -1.45 0.00 0.00 41.25 36.80 3a6p s ASN 522 CO 0.47 -0.24 0.07 0.54 -3.72 0.00 0.00 177.10 174.23 3a6p n ARG 523 N 0.49 -0.00 0.12 0.43 5.12 -1.26 0.10 116.66 121.66 3a6p n ARG 523 Ca 0.02 0.07 0.10 0.00 -1.93 0.00 0.00 57.85 56.10 3a6p n ARG 523 Cb 0.49 -0.12 0.02 0.00 -1.16 0.00 0.00 32.46 31.70 3a6p n ARG 523 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3a6p h GLU 524 N 0.00 0.00 0.00 5.56 3.07 -2.01 -3.31 114.58 117.89 3a6p h GLU 524 Ca 0.04 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.68 3a6p h GLU 524 Cb 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3a6p h GLU 524 CO -0.04 0.06 -0.91 0.93 -1.40 0.00 0.00 179.01 177.65 3a6p h GLU 525 N 0.00 0.31 -6.06 2.33 3.07 0.30 -3.47 114.58 111.06 3a6p h GLU 525 Ca -0.02 -0.34 -0.74 0.00 -0.50 0.00 0.00 59.36 57.76 3a6p h GLU 525 Cb 1.10 0.10 0.07 0.00 -0.84 0.00 0.00 28.75 29.17 3a6p h GLU 525 CO 0.01 1.04 0.01 -0.89 -1.40 0.00 0.00 179.01 177.77 3a6p n ILE 526 N -3.70 0.49 -3.22 3.13 2.08 -1.13 -4.86 119.36 112.14 3a6p n ILE 526 Ca -0.05 -0.12 -0.46 0.00 0.56 0.00 0.00 62.75 62.67 3a6p n ILE 526 Cb 0.82 -0.18 -0.02 0.00 -0.75 0.00 0.00 39.64 39.52 3a6p n ILE 526 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3a6p s PRO 527 N -0.19 3.66 0.29 0.38 0.04 -1.26 -4.92 135.00 133.00 3a6p s PRO 527 Ca 0.83 -2.35 0.01 0.00 0.04 0.00 0.00 61.00 59.52 3a6p s PRO 527 Cb -1.13 -4.57 0.45 0.00 0.04 0.00 0.00 34.50 29.29 3a6p s PRO 527 CO 0.55 -1.42 1.82 0.28 0.04 0.00 0.00 177.00 178.28 3a6p h VAL 528 N 4.95 1.22 -0.09 -0.36 2.07 -1.97 -2.36 116.25 119.71 3a6p h VAL 528 Ca 0.13 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 3a6p h VAL 528 Cb 1.02 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3a6p h VAL 528 CO 0.87 0.31 -0.36 0.78 0.02 0.00 0.00 177.57 179.19 3a6p h ASN 529 N 0.68 0.47 0.15 0.57 4.21 -2.00 -2.48 115.58 117.18 3a6p h ASN 529 Ca 0.14 -0.63 -0.06 0.00 1.21 0.00 0.00 56.30 56.96 3a6p h ASN 529 Cb 0.35 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3a6p h ASN 529 CO 0.01 1.02 -0.24 0.44 -1.29 0.00 0.00 177.43 177.37 3a6p h ASP 530 N -0.05 0.16 -0.14 5.81 3.32 -1.98 0.74 116.42 124.28 3a6p h ASP 530 Ca -0.02 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3a6p h ASP 530 Cb 1.00 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 3a6p h ASP 530 CO 0.08 0.41 -0.03 1.23 -1.72 0.00 0.00 179.24 179.20 3a6p h GLY 531 N 0.89 0.10 2.00 2.75 0.00 -1.31 -2.56 103.07 104.93 3a6p h GLY 531 Ca 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 3a6p h GLY 531 CO 0.04 -0.05 -0.72 0.16 0.00 0.00 0.00 176.54 175.96 3a6p h ILE 532 N 0.00 1.34 -0.25 2.60 -0.00 -0.99 -1.95 117.51 118.27 3a6p h ILE 532 Ca 0.07 -2.62 0.06 0.00 -0.00 0.00 0.00 64.86 62.37 3a6p h ILE 532 Cb 0.10 2.49 -0.08 0.00 -0.00 0.00 0.00 36.82 39.34 3a6p h ILE 532 CO -0.15 0.70 -0.33 -0.33 -0.00 0.00 0.00 178.15 178.05 3a6p h GLU 533 N 0.00 -0.32 -0.19 0.16 4.39 -0.77 0.14 114.58 117.98 3a6p h GLU 533 Ca -0.01 0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 3a6p h GLU 533 Cb 1.43 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.15 3a6p h GLU 533 CO 0.09 -0.22 -0.63 -0.07 -1.16 0.00 0.00 179.01 177.03 3a6p h LEU 534 N -0.34 0.78 -1.14 1.33 3.38 -1.37 -2.74 115.31 115.22 3a6p h LEU 534 Ca 0.13 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3a6p h LEU 534 Cb 0.54 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3a6p h LEU 534 CO -0.44 1.21 0.59 0.25 0.09 0.00 0.00 178.44 180.15 3a6p h LEU 535 N 0.50 0.93 -0.13 1.67 6.46 -1.16 -1.02 115.31 122.56 3a6p h LEU 535 Ca -0.01 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 3a6p h LEU 535 Cb 1.22 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 3a6p h LEU 535 CO 0.13 0.61 -0.16 1.56 -0.62 0.00 0.00 178.44 179.96 3a6p h GLN 536 N 1.07 0.35 -0.89 1.25 4.20 -0.69 -1.17 115.11 119.22 3a6p h GLN 536 Ca 0.38 -0.19 0.12 0.00 0.06 0.00 0.00 58.65 59.02 3a6p h GLN 536 Cb 0.14 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 3a6p h GLN 536 CO -0.13 0.76 0.52 0.52 -0.67 0.00 0.00 178.83 179.82 3a6p h MET 537 N -0.05 0.77 -0.50 1.46 2.86 -1.16 0.29 114.93 118.61 3a6p h MET 537 Ca 0.02 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3a6p h MET 537 Cb 0.71 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3a6p h MET 537 CO 0.04 0.51 -0.15 0.28 1.06 0.00 0.00 176.91 178.65 3a6p h VAL 538 N 0.80 1.27 -0.50 -2.22 2.07 -1.04 -3.04 116.25 113.59 3a6p h VAL 538 Ca 0.46 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 3a6p h VAL 538 Cb 0.52 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3a6p h VAL 538 CO -0.30 0.46 -0.06 -0.07 0.02 0.00 0.00 177.57 177.62 3a6p h LEU 539 N 0.85 0.92 0.00 2.57 3.38 0.46 -2.89 115.31 120.60 3a6p h LEU 539 Ca 0.12 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3a6p h LEU 539 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3a6p h LEU 539 CO 0.06 1.04 0.00 0.59 0.09 0.00 0.00 178.44 180.21 3a6p n ASN 540 N -4.26 0.00 -4.63 -0.43 5.03 0.75 -4.83 115.26 106.90 3a6p n ASN 540 Ca 0.01 -0.77 -0.40 0.00 0.87 0.00 0.00 54.58 54.29 3a6p n ASN 540 Cb 0.36 -0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.04 3a6p n ASN 540 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3a6p s PHE 541 N -2.02 3.30 -0.01 3.10 5.36 -1.09 -5.06 117.98 121.55 3a6p s PHE 541 Ca 0.38 0.64 -0.11 0.00 -0.96 0.00 0.00 56.93 56.88 3a6p s PHE 541 Cb 0.18 -2.68 -0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3a6p s PHE 541 CO 0.30 -0.21 0.33 0.34 -1.46 0.00 0.00 175.22 174.51 3a6p s ASP 542 N 1.42 6.64 -0.08 6.13 -1.08 -1.26 -5.06 116.67 123.38 3a6p s ASP 542 Ca 0.21 0.76 -0.11 0.00 -0.52 0.00 0.00 52.55 52.89 3a6p s ASP 542 Cb -0.15 -2.17 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 3a6p s ASP 542 CO 0.09 0.31 0.28 -0.89 0.52 0.00 0.00 175.17 175.48 3a6p s THR 543 N -1.16 0.02 -1.83 1.71 2.01 -1.26 -4.96 115.64 110.17 3a6p s THR 543 Ca 0.24 -0.15 0.21 0.00 0.31 0.00 0.00 61.69 62.30 3a6p s THR 543 Cb -0.15 -0.45 0.65 0.00 0.01 0.00 0.00 72.50 72.56 3a6p s THR 543 CO 0.13 -0.08 1.55 2.29 -0.69 0.00 0.00 174.62 177.81 3a6p n LYS 544 N 2.48 2.87 -2.93 4.92 2.85 -1.26 -4.88 118.16 122.21 3a6p n LYS 544 Ca -0.15 -2.63 -0.43 0.00 -1.05 0.00 0.00 58.31 54.04 3a6p n LYS 544 Cb 0.57 -1.62 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 3a6p n LYS 544 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a6p s ASP 545 N -0.98 6.37 0.19 -5.58 -1.08 -1.26 -4.90 116.67 109.44 3a6p s ASP 545 Ca 0.49 -0.28 -0.12 0.00 -0.52 0.00 0.00 52.55 52.12 3a6p s ASP 545 Cb 0.27 -2.40 0.22 0.00 -1.46 0.00 0.00 42.92 39.55 3a6p s ASP 545 CO 0.31 -1.03 1.71 -0.65 0.52 0.00 0.00 175.17 176.02 3a6p h PRO 546 N 9.11 0.21 -0.28 4.34 0.11 -1.90 0.20 132.00 143.80 3a6p h PRO 546 Ca -0.25 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3a6p h PRO 546 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3a6p h PRO 546 CO 1.01 0.14 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.62 3a6p h LEU 547 N 0.22 0.55 -0.53 2.35 4.07 -1.91 -0.89 115.31 119.17 3a6p h LEU 547 Ca 0.27 -0.19 -0.16 0.00 0.08 0.00 0.00 57.88 57.87 3a6p h LEU 547 Cb 0.38 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3a6p h LEU 547 CO -0.36 0.80 -0.66 0.40 -1.08 0.00 0.00 178.44 177.54 3a6p h ILE 548 N 0.48 1.39 -0.56 1.22 1.08 -1.75 -3.17 117.51 116.21 3a6p h ILE 548 Ca 0.07 -2.06 -0.10 0.00 -0.39 0.00 0.00 64.86 62.38 3a6p h ILE 548 Cb 0.70 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 3a6p h ILE 548 CO 0.05 0.61 -0.04 0.25 -0.69 0.00 0.00 178.15 178.34 3a6p h LEU 549 N 0.23 0.98 -1.32 1.44 5.85 -0.09 -2.10 115.31 120.30 3a6p h LEU 549 Ca -0.02 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3a6p h LEU 549 Cb 1.20 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3a6p h LEU 549 CO 0.11 1.05 0.51 -1.28 -0.34 0.00 0.00 178.44 178.49 3a6p h SER 550 N 0.90 0.72 -0.46 1.25 0.87 -1.15 0.18 113.55 115.86 3a6p h SER 550 Ca 0.16 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 3a6p h SER 550 Cb 0.58 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3a6p h SER 550 CO 0.03 0.45 -0.26 0.00 -0.53 0.00 0.00 176.83 176.53 3a6p h VAL 552 N 0.83 0.40 -0.89 0.00 2.07 -0.41 0.10 116.25 118.35 3a6p h VAL 552 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 3a6p h VAL 552 Cb 0.85 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3a6p h VAL 552 CO 0.08 0.00 0.58 -0.07 0.02 0.00 0.00 177.57 178.18 3a6p h LEU 553 N -0.55 0.47 -0.19 2.57 3.38 -0.76 0.11 115.31 120.34 3a6p h LEU 553 Ca 0.01 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 3a6p h LEU 553 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a6p h LEU 553 CO -0.11 0.21 -0.92 0.74 0.09 0.00 0.00 178.44 178.45 3a6p h THR 554 N 0.48 1.39 0.00 0.22 2.02 -1.27 -1.84 112.91 113.92 3a6p h THR 554 Ca 0.46 -2.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.19 3a6p h THR 554 Cb 1.02 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3a6p h THR 554 CO -0.19 0.72 -0.21 0.78 0.37 0.00 0.00 175.52 176.99 3a6p h ASN 555 N 0.24 0.00 0.17 4.18 2.35 0.14 -1.01 115.58 121.67 3a6p h ASN 555 Ca -0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3a6p h ASN 555 Cb 1.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.92 3a6p h ASN 555 CO 0.16 0.21 -0.08 0.58 -1.65 0.00 0.00 177.43 176.65 3a6p h VAL 556 N 0.00 0.86 -0.96 2.81 2.07 -0.46 -1.74 116.25 118.83 3a6p h VAL 556 Ca -0.00 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.54 3a6p h VAL 556 Cb 0.72 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 3a6p h VAL 556 CO 0.03 0.21 0.62 0.28 0.02 0.00 0.00 177.57 178.73 3a6p h SER 557 N -0.83 0.93 -0.45 0.57 0.02 -1.21 0.68 113.55 113.26 3a6p h SER 557 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a6p h SER 557 Cb 0.52 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3a6p h SER 557 CO 0.04 0.56 0.29 0.00 -1.14 0.00 0.00 176.83 176.58 3a6p h ALA 558 N 1.51 0.57 -0.02 3.77 0.00 -1.20 -2.73 119.26 121.15 3a6p h ALA 558 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3a6p h ALA 558 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a6p h ALA 558 CO -0.19 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.37 3a6p n LEU 559 N -4.77 0.79 0.19 0.00 4.77 -0.20 -4.28 117.00 113.51 3a6p n LEU 559 Ca 0.01 -0.28 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 3a6p n LEU 559 Cb 0.03 -0.01 0.38 0.00 -2.33 0.00 0.00 43.42 41.49 3a6p n LEU 559 CO 0.35 0.14 0.73 0.15 -1.33 0.00 0.00 177.39 177.43 3a6p h PHE 560 N 1.21 0.00 -1.37 -1.77 3.57 -0.62 -1.13 116.94 116.83 3a6p h PHE 560 Ca 0.00 0.00 0.40 0.00 3.53 0.00 0.00 57.97 61.90 3a6p h PHE 560 Cb 0.26 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 3a6p h PHE 560 CO 0.01 0.36 0.96 -1.35 -2.23 0.00 0.00 178.31 176.06 3a6p h PRO 561 N 0.00 0.08 0.00 6.41 0.11 -1.78 -1.03 132.00 135.79 3a6p h PRO 561 Ca -0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3a6p h PRO 561 Cb 0.67 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3a6p h PRO 561 CO 0.05 0.05 0.00 0.74 -0.21 0.00 0.00 178.00 178.63 3a6p h PHE 562 N 0.08 0.00 0.00 0.65 -1.00 -1.53 -3.15 116.94 111.99 3a6p h PHE 562 Ca 0.71 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.48 3a6p h PHE 562 Cb 2.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.11 3a6p h PHE 562 CO -0.00 0.00 -0.04 0.28 -1.61 0.00 0.00 178.31 176.93 3a6p h VAL 563 N 0.00 0.13 0.00 -0.55 2.07 -1.38 -2.78 116.25 113.74 3a6p h VAL 563 Ca 0.00 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3a6p h VAL 563 Cb 0.19 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3a6p h VAL 563 CO 0.00 0.04 -0.18 0.74 0.02 0.00 0.00 177.57 178.19 3a6p h THR 564 N 0.00 0.55 0.16 2.57 2.02 -1.76 -0.48 112.91 115.97 3a6p h THR 564 Ca -0.00 -0.87 -0.31 0.00 0.77 0.00 0.00 66.41 66.00 3a6p h THR 564 Cb 0.47 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3a6p h THR 564 CO 0.01 0.18 -1.46 1.88 0.37 0.00 0.00 175.52 176.49 3a6p h TYR 565 N 0.00 0.63 -2.64 3.16 -1.99 -1.73 -3.40 116.97 110.99 3a6p h TYR 565 Ca -0.00 -0.46 -0.60 0.00 2.00 0.00 0.00 58.73 59.67 3a6p h TYR 565 Cb 0.57 -0.03 -0.40 0.00 2.00 0.00 0.00 36.73 38.87 3a6p h TYR 565 CO 0.00 1.43 -0.77 0.54 -0.00 0.00 0.00 178.16 179.37 3a6p n ARG 566 N -3.56 1.22 0.00 4.88 5.12 -0.32 -4.96 116.66 119.05 3a6p n ARG 566 Ca -0.15 -3.93 0.01 0.00 -1.93 0.00 0.00 57.85 51.85 3a6p n ARG 566 Cb 1.06 -1.97 0.05 0.00 -1.16 0.00 0.00 32.46 30.43 3a6p n ARG 566 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3a6p n PRO 567 N 2.12 0.01 -0.02 5.56 -0.02 -0.45 -2.31 135.00 139.90 3a6p n PRO 567 Ca 0.25 0.37 0.24 0.00 -2.02 0.00 0.00 63.50 62.33 3a6p n PRO 567 Cb 0.42 -1.50 0.72 0.00 -0.02 0.00 0.00 33.50 33.11 3a6p n PRO 567 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3a6p h GLU 568 N 0.00 0.00 -0.01 -0.52 5.08 -1.93 -2.87 114.58 114.33 3a6p h GLU 568 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a6p h GLU 568 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3a6p h GLU 568 CO 0.00 0.00 -0.07 1.19 -1.00 0.00 0.00 179.01 179.13 3a6p n PHE 569 N -3.86 0.00 -0.06 4.33 3.01 -0.98 -4.15 117.46 115.75 3a6p n PHE 569 Ca 0.12 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.48 3a6p n PHE 569 Cb 0.80 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 40.16 3a6p n PHE 569 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3a6p h LEU 570 N 1.12 0.29 -0.81 4.37 3.38 -1.77 -1.99 115.31 119.90 3a6p h LEU 570 Ca 0.00 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3a6p h LEU 570 Cb 0.35 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3a6p h LEU 570 CO 0.00 0.28 0.43 -0.65 0.09 0.00 0.00 178.44 178.59 3a6p h PRO 571 N 0.27 0.66 -0.73 1.13 0.11 -1.85 0.36 132.00 131.95 3a6p h PRO 571 Ca 0.08 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.16 3a6p h PRO 571 Cb 0.05 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.98 3a6p h PRO 571 CO -0.01 0.44 0.47 0.37 -0.21 0.00 0.00 178.00 179.06 3a6p h GLN 572 N 0.68 0.96 -0.07 1.05 4.15 -1.73 0.91 115.11 121.07 3a6p h GLN 572 Ca 0.42 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 3a6p h GLN 572 Cb 0.49 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 3a6p h GLN 572 CO -0.30 0.64 0.03 0.28 -1.93 0.00 0.00 178.83 177.56 3a6p h VAL 573 N 0.99 1.11 0.00 2.39 2.07 -0.57 -0.31 116.25 121.92 3a6p h VAL 573 Ca 0.27 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3a6p h VAL 573 Cb -0.10 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3a6p h VAL 573 CO -0.06 0.09 -0.23 -0.26 0.02 0.00 0.00 177.57 177.14 3a6p h PHE 574 N -0.01 0.00 0.79 1.57 0.05 -0.40 -2.34 116.94 116.60 3a6p h PHE 574 Ca 0.02 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 3a6p h PHE 574 Cb 0.12 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 3a6p h PHE 574 CO -0.03 0.23 -0.48 0.77 -0.18 0.00 0.00 178.31 178.62 3a6p h SER 575 N 0.00 -1.21 -0.94 2.17 0.02 -0.15 -0.29 113.55 113.15 3a6p h SER 575 Ca -0.00 0.07 0.22 0.00 -0.84 0.00 0.00 61.79 61.23 3a6p h SER 575 Cb 0.43 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 3a6p h SER 575 CO 0.03 -0.74 0.62 0.50 -1.14 0.00 0.00 176.83 176.10 3a6p h LYS 576 N -1.18 0.40 0.15 3.45 1.63 -0.73 -0.32 116.57 119.96 3a6p h LYS 576 Ca -0.11 -0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.35 3a6p h LYS 576 Cb 0.95 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3a6p h LYS 576 CO 0.11 0.26 -1.65 -0.07 -3.45 0.00 0.00 179.45 174.65 3a6p h LEU 577 N 0.41 0.50 -0.62 5.20 3.38 -1.06 -3.22 115.31 119.90 3a6p h LEU 577 Ca 0.50 -0.91 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 3a6p h LEU 577 Cb 1.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3a6p h LEU 577 CO -0.20 1.73 -0.66 -0.26 0.09 0.00 0.00 178.44 179.14 3a6p h PHE 578 N -0.06 0.00 -0.36 1.13 -1.00 -0.81 -2.55 116.94 113.29 3a6p h PHE 578 Ca -0.34 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.38 3a6p h PHE 578 Cb 1.96 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.50 3a6p h PHE 578 CO 0.11 0.66 -0.02 0.66 -1.61 0.00 0.00 178.31 178.11 3a6p h SER 579 N 0.00 0.63 0.00 2.17 4.64 -1.18 -2.48 113.55 117.33 3a6p h SER 579 Ca -0.01 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3a6p h SER 579 Cb 1.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3a6p h SER 579 CO 0.09 0.80 0.07 0.28 -0.87 0.00 0.00 176.83 177.20 3a6p h SER 580 N 0.45 0.00 0.51 4.97 0.02 -1.52 -2.18 113.55 115.80 3a6p h SER 580 Ca 0.10 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.85 3a6p h SER 580 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3a6p h SER 580 CO 0.02 0.00 -0.87 0.58 -1.14 0.00 0.00 176.83 175.42 3a6p h VAL 581 N 0.00 1.47 0.00 2.27 2.07 -1.02 -3.37 116.25 117.67 3a6p h VAL 581 Ca 0.00 -2.53 -0.06 0.00 0.82 0.00 0.00 66.70 64.93 3a6p h VAL 581 Cb 0.15 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3a6p h VAL 581 CO 0.00 0.74 -0.33 0.74 0.02 0.00 0.00 177.57 178.75 3a6p h THR 582 N 0.14 1.38 -3.00 2.57 2.02 -1.37 -3.46 112.91 111.19 3a6p h THR 582 Ca -0.05 -2.16 -0.13 0.00 0.77 0.00 0.00 66.41 64.85 3a6p h THR 582 Cb 1.49 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 70.60 3a6p h THR 582 CO 0.14 0.47 -0.04 0.33 0.37 0.00 0.00 175.52 176.79 3a6p n PHE 583 N -4.58 -1.15 -3.61 3.16 -0.00 -1.25 -4.97 117.46 105.06 3a6p n PHE 583 Ca -0.15 -1.25 -0.29 0.00 -0.00 0.00 0.00 57.45 55.76 3a6p n PHE 583 Cb 0.48 0.35 -0.14 0.00 -0.00 0.00 0.00 39.48 40.17 3a6p n PHE 583 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3a6p s GLU 584 N -2.36 0.64 0.00 -4.13 2.56 -1.26 -4.72 118.70 109.42 3a6p s GLU 584 Ca 0.15 -1.18 0.00 0.00 0.00 0.00 0.00 54.97 53.94 3a6p s GLU 584 Cb -0.01 -1.65 0.00 0.00 2.00 0.00 0.00 34.13 34.47 3a6p s GLU 584 CO 0.11 -1.09 0.02 0.25 -0.56 0.00 0.00 175.26 173.99 3a6p n THR 585 N 4.49 0.00 -0.12 -1.70 -2.24 -1.26 -3.97 114.28 109.48 3a6p n THR 585 Ca 0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 3a6p n THR 585 Cb 0.39 -0.60 0.10 0.00 -2.10 0.00 0.00 70.33 68.13 3a6p n THR 585 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3a6p n VAL 586 N -0.20 -0.15 0.00 2.28 0.31 -1.26 -4.70 118.33 114.62 3a6p n VAL 586 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 3a6p n VAL 586 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3a6p n VAL 586 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3a6p n GLU 587 N -4.30 0.00 0.00 5.55 2.13 -1.25 -5.02 120.64 117.74 3a6p n GLU 587 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3a6p n GLU 587 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 3a6p n GLU 587 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a6p n GLU 588 N -0.83 0.00 0.00 5.31 -0.58 -1.26 -4.68 120.64 118.60 3a6p n GLU 588 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 3a6p n GLU 588 Cb 0.00 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 31.44 3a6p n GLU 588 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3a6p n SER 589 N 0.00 0.23 0.40 1.62 7.64 -1.26 -3.96 113.62 118.30 3a6p n SER 589 Ca 0.00 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.62 3a6p n SER 589 Cb 0.00 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 3a6p n SER 589 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3a6p h LYS 590 N 0.18 -0.99 -5.57 1.43 1.57 -2.02 -3.45 116.57 107.71 3a6p h LYS 590 Ca 0.00 0.07 -0.45 0.00 -1.87 0.00 0.00 60.65 58.40 3a6p h LYS 590 Cb 0.42 0.22 -0.19 0.00 0.08 0.00 0.00 32.23 32.77 3a6p h LYS 590 CO 0.00 -0.66 -0.77 0.00 -0.57 0.00 0.00 179.45 177.45 3a6p s ALA 591 N -6.03 1.60 0.34 3.86 0.00 -1.25 -5.16 121.76 115.13 3a6p s ALA 591 Ca -0.18 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 50.21 3a6p s ALA 591 Cb 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3a6p s ALA 591 CO 0.61 0.15 0.96 -1.25 0.00 0.00 0.00 175.76 176.23 3a6p s PRO 592 N -2.59 4.50 0.13 0.00 0.04 -1.26 -4.14 135.00 131.67 3a6p s PRO 592 Ca 0.09 1.32 -0.33 0.00 0.04 0.00 0.00 61.00 62.12 3a6p s PRO 592 Cb -0.06 -2.70 -0.13 0.00 0.04 0.00 0.00 34.50 31.66 3a6p s PRO 592 CO 0.04 0.20 1.68 -2.13 0.04 0.00 0.00 177.00 176.82 3a6p n ARG 593 N 0.35 2.34 0.00 4.56 0.63 -1.26 -4.72 116.66 118.56 3a6p n ARG 593 Ca 0.03 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 3a6p n ARG 593 Cb 0.50 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.76 3a6p n ARG 593 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3a6p n THR 594 N 3.91 0.00 -0.13 5.15 -2.24 -1.26 -4.67 114.28 115.04 3a6p n THR 594 Ca 0.18 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.69 3a6p n THR 594 Cb 0.31 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 3a6p n THR 594 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3a6p n ARG 595 N -1.21 0.58 0.23 -0.78 1.74 -1.22 -3.58 116.66 112.43 3a6p n ARG 595 Ca 0.00 0.36 0.17 0.00 -0.77 0.00 0.00 57.85 57.61 3a6p n ARG 595 Cb 0.00 -1.57 0.77 0.00 -1.02 0.00 0.00 32.46 30.64 3a6p n ARG 595 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a6p h ALA 596 N -0.81 1.68 0.34 7.54 0.00 -1.71 0.46 119.26 126.76 3a6p h ALA 596 Ca -0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3a6p h ALA 596 Cb 1.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3a6p h ALA 596 CO -0.35 -0.48 -0.16 0.28 0.00 0.00 0.00 179.25 178.53 3a6p h VAL 597 N 0.00 0.00 0.00 0.00 2.07 -1.84 -2.68 116.25 113.80 3a6p h VAL 597 Ca 0.08 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3a6p h VAL 597 Cb 0.87 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3a6p h VAL 597 CO -0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 3a6p n ARG 598 N -4.47 0.06 0.06 1.57 1.85 -0.53 -2.26 116.66 112.92 3a6p n ARG 598 Ca -0.06 0.44 -0.09 0.00 -1.00 0.00 0.00 57.85 57.14 3a6p n ARG 598 Cb 0.18 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 29.88 3a6p n ARG 598 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3a6p h ASN 599 N 0.00 -0.20 -0.28 2.89 2.35 -0.16 -3.06 115.58 117.12 3a6p h ASN 599 Ca 0.00 -0.28 0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3a6p h ASN 599 Cb 0.13 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3a6p h ASN 599 CO 0.00 0.36 0.21 -0.37 -1.65 0.00 0.00 177.43 175.98 3a6p h VAL 600 N -0.95 0.79 0.57 2.81 -1.51 -1.10 0.13 116.25 117.00 3a6p h VAL 600 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.42 3a6p h VAL 600 Cb 0.47 0.85 0.01 0.00 -2.13 0.00 0.00 31.29 30.48 3a6p h VAL 600 CO 0.04 0.00 -0.28 0.03 -1.23 0.00 0.00 177.57 176.13 3a6p h ARG 601 N 0.00 -0.74 -0.83 5.19 3.08 -1.57 -0.91 114.38 118.60 3a6p h ARG 601 Ca 0.13 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.36 3a6p h ARG 601 Cb 0.56 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.70 3a6p h ARG 601 CO -0.00 -0.44 0.44 -0.09 -1.07 0.00 0.00 179.97 178.81 3a6p h ARG 602 N -1.10 0.65 -0.83 0.04 2.43 -1.25 -0.77 114.38 113.56 3a6p h ARG 602 Ca -0.08 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3a6p h ARG 602 Cb 0.64 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3a6p h ARG 602 CO 0.13 0.43 0.51 1.25 -1.51 0.00 0.00 179.97 180.78 3a6p h HIS 603 N 0.67 0.94 -0.18 2.20 2.76 -0.62 0.12 115.15 121.04 3a6p h HIS 603 Ca 0.43 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.51 3a6p h HIS 603 Cb 0.54 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3a6p h HIS 603 CO -0.08 0.47 -0.35 0.00 -1.30 0.00 0.00 177.93 176.67 3a6p h ALA 604 N 1.40 0.29 -0.69 5.26 0.00 0.14 0.05 119.26 125.71 3a6p h ALA 604 Ca 0.36 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3a6p h ALA 604 Cb 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3a6p h ALA 604 CO -0.18 0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.75 3a6p h SER 606 N 0.54 -0.01 -0.13 0.00 0.02 -0.65 -2.24 113.55 111.08 3a6p h SER 606 Ca 0.34 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.37 3a6p h SER 606 Cb 0.39 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3a6p h SER 606 CO -0.29 0.02 0.13 0.28 -1.14 0.00 0.00 176.83 175.84 3a6p h SER 607 N 0.11 0.00 -0.25 3.07 0.02 -0.11 -1.71 113.55 114.68 3a6p h SER 607 Ca 0.09 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 3a6p h SER 607 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3a6p h SER 607 CO -0.13 0.00 -0.47 0.40 -1.14 0.00 0.00 176.83 175.49 3a6p h ILE 608 N 0.00 1.28 0.03 3.27 1.08 -0.53 -1.18 117.51 121.47 3a6p h ILE 608 Ca 0.06 -1.66 -0.16 0.00 -0.39 0.00 0.00 64.86 62.72 3a6p h ILE 608 Cb 0.32 1.54 0.01 0.00 -3.07 0.00 0.00 36.82 35.63 3a6p h ILE 608 CO -0.00 0.54 -0.64 0.40 -0.69 0.00 0.00 178.15 177.76 3a6p h ILE 609 N 0.65 1.45 -0.16 -0.67 2.04 -1.22 -2.16 117.51 117.44 3a6p h ILE 609 Ca 0.03 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 63.66 3a6p h ILE 609 Cb 1.06 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.88 3a6p h ILE 609 CO 0.10 0.63 -0.11 0.50 0.00 0.00 0.00 178.15 179.27 3a6p h LYS 610 N -0.18 0.25 -0.17 2.37 3.64 -1.37 0.45 116.57 121.56 3a6p h LYS 610 Ca -0.09 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 3a6p h LYS 610 Cb 1.38 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 3a6p h LYS 610 CO 0.12 0.37 -0.54 1.98 -2.27 0.00 0.00 179.45 179.12 3a6p h MET 611 N 0.24 0.66 -0.02 1.90 4.05 -1.14 -1.86 114.93 118.75 3a6p h MET 611 Ca 0.05 -0.48 -0.02 0.00 -0.28 0.00 0.00 59.70 58.97 3a6p h MET 611 Cb 0.35 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3a6p h MET 611 CO 0.02 1.10 -0.05 0.00 0.23 0.00 0.00 176.91 178.22 3a6p h ARG 613 N -0.46 -0.08 0.00 0.00 2.43 -0.23 -3.13 114.38 112.91 3a6p h ARG 613 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3a6p h ARG 613 Cb 0.62 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3a6p h ARG 613 CO 0.01 -0.05 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.77 3a6p h ASP 614 N -0.09 0.00 -2.07 -3.80 3.45 -1.35 -3.39 116.42 109.18 3a6p h ASP 614 Ca 0.08 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 57.04 3a6p h ASP 614 Cb 0.21 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.57 3a6p h ASP 614 CO -0.19 0.18 -1.06 -1.22 -1.57 0.00 0.00 179.24 175.37 3a6p n TYR 615 N -3.13 1.14 0.59 4.55 4.02 0.25 -4.91 117.16 119.67 3a6p n TYR 615 Ca 0.03 -3.86 0.13 0.00 -0.01 0.00 0.00 57.90 54.18 3a6p n TYR 615 Cb 0.60 -0.44 0.45 0.00 -0.02 0.00 0.00 39.34 39.93 3a6p n TYR 615 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3a6p n PRO 616 N 0.15 0.21 0.07 -0.72 -0.02 -1.18 -2.29 135.00 131.22 3a6p n PRO 616 Ca 0.26 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3a6p n PRO 616 Cb 0.59 -1.79 0.21 0.00 -0.02 0.00 0.00 33.50 32.49 3a6p n PRO 616 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3a6p h GLN 617 N 0.00 0.31 -0.14 -0.52 7.50 -1.91 -2.03 115.11 118.32 3a6p h GLN 617 Ca 0.00 -0.14 -0.19 0.00 0.50 0.00 0.00 58.65 58.81 3a6p h GLN 617 Cb 0.59 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.11 3a6p h GLN 617 CO 0.00 0.66 -0.70 -0.07 -1.50 0.00 0.00 178.83 177.22 3a6p h LEU 618 N 0.26 0.68 0.00 1.46 -0.00 -1.87 -3.36 115.31 112.48 3a6p h LEU 618 Ca 0.03 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 3a6p h LEU 618 Cb 0.81 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 3a6p h LEU 618 CO 0.06 1.18 -0.87 1.33 -0.00 0.00 0.00 178.44 180.14 3a6p n VAL 619 N -3.90 0.00 0.02 1.22 0.24 -1.09 -4.26 118.33 110.56 3a6p n VAL 619 Ca -0.05 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3a6p n VAL 619 Cb 0.69 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.78 3a6p n VAL 619 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3a6p h LEU 620 N 0.00 0.74 -1.66 1.34 5.85 -1.52 -1.17 115.31 118.89 3a6p h LEU 620 Ca 0.00 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.30 3a6p h LEU 620 Cb 0.51 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3a6p h LEU 620 CO 0.00 1.29 0.37 -0.65 -0.34 0.00 0.00 178.44 179.11 3a6p h PRO 621 N 0.40 0.39 -0.77 5.25 0.11 -1.79 -2.59 132.00 132.98 3a6p h PRO 621 Ca -0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 3a6p h PRO 621 Cb 1.43 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3a6p h PRO 621 CO 0.15 0.26 0.07 0.09 -0.21 0.00 0.00 178.00 178.36 3a6p n ASN 622 N -4.47 3.99 -0.04 -2.05 3.02 -0.45 -4.64 115.26 110.63 3a6p n ASN 622 Ca 0.08 -2.68 -0.10 0.00 -0.03 0.00 0.00 54.58 51.86 3a6p n ASN 622 Cb 0.33 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 38.91 3a6p n ASN 622 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3a6p h PHE 623 N 2.28 0.82 -0.88 3.10 3.57 -1.31 -2.62 116.94 121.90 3a6p h PHE 623 Ca 0.07 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 3a6p h PHE 623 Cb 1.59 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 3a6p h PHE 623 CO 0.77 1.01 0.51 -0.44 -2.23 0.00 0.00 178.31 177.93 3a6p h ASP 624 N 0.54 1.08 -0.08 0.41 5.19 -1.85 -0.21 116.42 121.50 3a6p h ASP 624 Ca 0.03 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3a6p h ASP 624 Cb 1.00 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.23 3a6p h ASP 624 CO 0.09 0.84 0.04 -0.03 -3.12 0.00 0.00 179.24 177.07 3a6p h MET 625 N 1.23 0.12 -0.48 3.56 4.05 -1.84 -0.54 114.93 121.02 3a6p h MET 625 Ca 0.31 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.62 3a6p h MET 625 Cb -0.02 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3a6p h MET 625 CO -0.06 0.20 -0.10 -0.07 0.23 0.00 0.00 176.91 177.12 3a6p h LEU 626 N 0.01 0.92 -0.48 3.39 3.38 -1.30 -0.61 115.31 120.62 3a6p h LEU 626 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3a6p h LEU 626 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3a6p h LEU 626 CO -0.00 1.06 0.28 0.22 0.09 0.00 0.00 178.44 180.08 3a6p h TYR 627 N 0.77 0.65 -0.24 1.13 3.20 -0.92 -1.34 116.97 120.22 3a6p h TYR 627 Ca 0.12 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.79 3a6p h TYR 627 Cb 0.64 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3a6p h TYR 627 CO 0.05 0.47 -0.62 -0.91 -1.64 0.00 0.00 178.16 175.51 3a6p h ASN 628 N 0.64 0.92 0.18 -2.11 -0.26 -0.81 -0.64 115.58 113.51 3a6p h ASN 628 Ca 0.17 -0.53 0.01 0.00 -0.56 0.00 0.00 56.30 55.40 3a6p h ASN 628 Cb 0.02 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 36.99 3a6p h ASN 628 CO -0.03 1.32 -0.26 -0.74 -1.06 0.00 0.00 177.43 176.66 3a6p h HIS 629 N 0.60 -0.70 -0.38 1.19 2.76 -0.70 -1.70 115.15 116.23 3a6p h HIS 629 Ca -0.01 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3a6p h HIS 629 Cb 1.23 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 30.45 3a6p h HIS 629 CO 0.07 -0.37 0.14 0.28 -1.30 0.00 0.00 177.93 176.76 3a6p h VAL 630 N -0.51 1.15 -0.59 5.26 2.07 -1.16 -1.22 116.25 121.25 3a6p h VAL 630 Ca 0.01 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3a6p h VAL 630 Cb 0.50 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3a6p h VAL 630 CO -0.11 0.18 0.04 0.50 0.02 0.00 0.00 177.57 178.20 3a6p h LYS 631 N 0.53 1.02 -0.24 1.57 3.64 -0.75 -1.75 116.57 120.59 3a6p h LYS 631 Ca 0.13 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3a6p h LYS 631 Cb 0.12 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3a6p h LYS 631 CO -0.01 0.99 0.07 1.96 -2.27 0.00 0.00 179.45 180.19 3a6p h GLN 632 N 0.92 0.38 -0.71 1.90 4.20 -0.65 -1.91 115.11 119.24 3a6p h GLN 632 Ca 0.17 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.89 3a6p h GLN 632 Cb 0.50 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 3a6p h GLN 632 CO 0.02 0.46 0.47 -0.07 -0.67 0.00 0.00 178.83 179.04 3a6p h LEU 633 N 0.22 0.54 -0.03 1.46 3.38 -0.87 -0.53 115.31 119.48 3a6p h LEU 633 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a6p h LEU 633 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3a6p h LEU 633 CO -0.00 0.33 -0.45 0.18 0.09 0.00 0.00 178.44 178.58 3a6p n LEU 634 N -4.49 0.50 0.06 1.67 4.77 -0.69 -4.10 117.00 114.72 3a6p n LEU 634 Ca 0.12 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3a6p n LEU 634 Cb 0.34 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3a6p n LEU 634 CO 0.33 0.12 0.83 0.28 -1.33 0.00 0.00 177.39 177.62 3a6p h SER 635 N 0.07 -0.16 -3.55 -1.43 0.02 -0.27 -3.35 113.55 104.87 3a6p h SER 635 Ca 0.00 0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.35 3a6p h SER 635 Cb 0.50 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 62.98 3a6p h SER 635 CO 0.00 -0.09 0.37 0.21 -1.14 0.00 0.00 176.83 176.17 3a6p s ASN 636 N -5.09 6.52 0.00 3.07 3.04 -1.24 -4.90 114.94 116.33 3a6p s ASN 636 Ca -0.14 0.25 0.29 0.00 0.04 0.00 0.00 52.86 53.31 3a6p s ASN 636 Cb 0.07 -2.39 1.65 0.00 -1.54 0.00 0.00 41.25 39.03 3a6p s ASN 636 CO 0.66 -0.77 2.07 1.21 -3.04 0.00 0.00 177.10 177.23 3a6p n GLU 637 N 6.47 0.72 0.00 0.43 0.00 -1.26 -2.11 120.64 124.89 3a6p n GLU 637 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.19 3a6p n GLU 637 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.42 3a6p n GLU 637 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3a6p n LEU 638 N -1.12 0.09 0.12 4.31 4.77 -1.26 -4.73 117.00 119.17 3a6p n LEU 638 Ca 0.19 -0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 3a6p n LEU 638 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3a6p n LEU 638 CO 0.19 0.02 0.60 0.25 -1.33 0.00 0.00 177.39 177.12 3a6p h LEU 639 N 0.00 -1.16 -9.88 2.23 6.46 -1.72 -3.45 115.31 107.79 3a6p h LEU 639 Ca 0.00 0.13 -0.54 0.00 -0.12 0.00 0.00 57.88 57.35 3a6p h LEU 639 Cb 0.01 0.43 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 3a6p h LEU 639 CO 0.00 -0.47 -0.51 -0.76 -0.62 0.00 0.00 178.44 176.08 3a6p s LEU 640 N -10.28 3.28 0.57 2.25 1.02 -1.26 -5.08 118.68 109.18 3a6p s LEU 640 Ca -0.16 -0.79 -0.19 0.00 0.02 0.00 0.00 54.13 53.01 3a6p s LEU 640 Cb 0.08 -1.77 -0.05 0.00 0.02 0.00 0.00 46.19 44.47 3a6p s LEU 640 CO 0.63 -0.38 1.15 -0.89 0.02 0.00 0.00 176.35 176.89 3a6p s THR 641 N -2.45 2.99 0.47 5.49 2.01 -1.26 -4.85 115.64 118.05 3a6p s THR 641 Ca 0.40 0.61 0.22 0.00 0.31 0.00 0.00 61.69 63.22 3a6p s THR 641 Cb -0.02 -3.23 0.40 0.00 0.01 0.00 0.00 72.50 69.66 3a6p s THR 641 CO 0.24 -0.14 1.91 1.56 -0.69 0.00 0.00 174.62 177.49 3a6p h GLN 642 N 1.02 0.22 -0.04 4.92 7.50 -1.97 0.26 115.11 127.01 3a6p h GLN 642 Ca -0.50 -0.01 -0.20 0.00 0.50 0.00 0.00 58.65 58.44 3a6p h GLN 642 Cb 1.27 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.75 3a6p h GLN 642 CO 0.56 0.15 -0.83 1.98 -1.50 0.00 0.00 178.83 179.19 3a6p h MET 643 N 0.23 0.37 -0.07 1.46 4.05 -1.98 -1.86 114.93 117.12 3a6p h MET 643 Ca 0.38 -0.35 -0.18 0.00 -0.28 0.00 0.00 59.70 59.27 3a6p h MET 643 Cb 1.16 0.09 0.01 0.00 -0.80 0.00 0.00 31.60 32.06 3a6p h MET 643 CO -0.08 1.01 -0.67 0.93 0.23 0.00 0.00 176.91 178.33 3a6p h GLU 644 N 0.23 0.58 0.04 0.39 5.08 -1.67 -1.68 114.58 117.54 3a6p h GLU 644 Ca -0.05 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 57.79 3a6p h GLU 644 Cb 1.43 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 3a6p h GLU 644 CO 0.14 1.15 -0.10 0.87 -1.00 0.00 0.00 179.01 180.07 3a6p h LYS 645 N 0.19 -0.19 -0.44 2.33 1.57 -0.51 -2.83 116.57 116.69 3a6p h LYS 645 Ca -0.06 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3a6p h LYS 645 Cb 1.33 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3a6p h LYS 645 CO 0.14 -0.13 -0.03 0.00 -0.57 0.00 0.00 179.45 178.85 3a6p h ALA 647 N 1.27 0.83 -0.53 0.00 0.00 -1.06 -1.13 119.26 118.64 3a6p h ALA 647 Ca 0.13 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3a6p h ALA 647 Cb 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3a6p h ALA 647 CO 0.02 -0.24 -0.06 -0.07 0.00 0.00 0.00 179.25 178.90 3a6p h LEU 648 N 0.36 0.97 -0.69 0.00 3.38 -1.23 -1.72 115.31 116.38 3a6p h LEU 648 Ca 0.34 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3a6p h LEU 648 Cb 0.49 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3a6p h LEU 648 CO -0.37 1.08 0.45 0.24 0.09 0.00 0.00 178.44 179.92 3a6p h MET 649 N 0.85 0.87 -0.87 1.13 2.86 -0.91 -0.62 114.93 118.24 3a6p h MET 649 Ca 0.14 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 3a6p h MET 649 Cb 0.61 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 3a6p h MET 649 CO 0.04 0.58 0.56 0.93 1.06 0.00 0.00 176.91 180.08 3a6p h GLU 650 N 0.90 0.76 0.00 1.72 5.08 -1.05 -0.53 114.58 121.46 3a6p h GLU 650 Ca 0.26 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3a6p h GLU 650 Cb -0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3a6p h GLU 650 CO -0.07 0.50 -0.44 0.00 -1.00 0.00 0.00 179.01 178.00 3a6p h ALA 651 N 1.58 0.92 0.14 3.43 0.00 -0.23 -2.06 119.26 123.04 3a6p h ALA 651 Ca 0.42 -0.40 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3a6p h ALA 651 Cb 0.53 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3a6p h ALA 651 CO -0.18 0.54 -1.26 -0.07 0.00 0.00 0.00 179.25 178.28 3a6p h LEU 652 N 0.00 0.75 -0.36 0.00 3.38 -0.34 -3.15 115.31 115.58 3a6p h LEU 652 Ca -0.00 -0.72 0.02 0.00 0.09 0.00 0.00 57.88 57.26 3a6p h LEU 652 Cb 1.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3a6p h LEU 652 CO 0.06 1.54 0.20 0.58 0.09 0.00 0.00 178.44 180.90 3a6p h VAL 653 N 0.21 1.01 -0.21 1.22 2.07 -0.86 -2.71 116.25 116.99 3a6p h VAL 653 Ca -0.18 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.26 3a6p h VAL 653 Cb 1.94 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3a6p h VAL 653 CO 0.23 0.07 0.18 -0.07 0.02 0.00 0.00 177.57 178.00 3a6p h LEU 654 N 0.40 0.00 0.00 2.57 3.38 -1.34 -0.70 115.31 119.62 3a6p h LEU 654 Ca 0.15 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 3a6p h LEU 654 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3a6p h LEU 654 CO -0.08 0.00 -1.10 0.40 0.09 0.00 0.00 178.44 177.74 3a6p h ILE 655 N 0.00 1.15 0.00 1.22 2.04 -1.46 -3.23 117.51 117.23 3a6p h ILE 655 Ca 0.10 -2.78 -0.05 0.00 1.00 0.00 0.00 64.86 63.13 3a6p h ILE 655 Cb 0.45 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3a6p h ILE 655 CO -0.00 0.65 -0.25 0.77 0.00 0.00 0.00 178.15 179.32 3a6p h SER 656 N 0.00 0.00 -0.80 1.72 4.64 -0.92 -1.67 113.55 116.52 3a6p h SER 656 Ca -0.09 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.46 3a6p h SER 656 Cb 1.71 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.76 3a6p h SER 656 CO 0.09 0.25 0.58 0.78 -0.87 0.00 0.00 176.83 177.66 3a6p h ASN 657 N 0.00 0.00 1.42 4.97 -0.26 -1.48 -0.15 115.58 120.09 3a6p h ASN 657 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3a6p h ASN 657 Cb 0.93 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 3a6p h ASN 657 CO 0.03 0.00 0.00 1.56 -1.06 0.00 0.00 177.43 177.96 3a6p h GLN 658 N 0.00 0.00 -0.53 0.81 1.08 -1.46 -2.37 115.11 112.63 3a6p h GLN 658 Ca 0.38 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.70 3a6p h GLN 658 Cb 1.54 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.94 3a6p h GLN 658 CO -0.00 0.00 0.37 0.74 -0.95 0.00 0.00 178.83 178.99 3a6p h PHE 659 N 0.00 0.23 -6.40 2.96 0.04 -1.11 -3.46 116.94 109.19 3a6p h PHE 659 Ca 0.00 0.01 -0.49 0.00 2.80 0.00 0.00 57.97 60.29 3a6p h PHE 659 Cb 0.71 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 3a6p h PHE 659 CO 0.00 0.10 -0.83 1.63 -0.60 0.00 0.00 178.31 178.61 3a6p n LYS 660 N -4.44 -4.20 -3.22 1.51 5.02 -0.89 -4.93 118.16 107.01 3a6p n LYS 660 Ca 0.09 0.50 -0.01 0.00 -2.02 0.00 0.00 58.31 56.87 3a6p n LYS 660 Cb 0.46 -5.02 -0.03 0.00 -0.02 0.00 0.00 35.03 30.41 3a6p n LYS 660 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a6p s ASN 661 N -3.90 -0.79 0.15 4.39 3.84 -1.26 -4.11 114.94 113.26 3a6p s ASN 661 Ca 0.31 0.54 -0.31 0.00 0.21 0.00 0.00 52.86 53.60 3a6p s ASN 661 Cb -0.16 1.76 -0.08 0.00 -0.55 0.00 0.00 41.25 42.23 3a6p s ASN 661 CO 0.86 -0.28 1.54 0.22 -2.79 0.00 0.00 177.10 176.66 3a6p h TYR 662 N 8.07 -1.79 -0.66 0.43 3.20 -1.48 -1.57 116.97 123.17 3a6p h TYR 662 Ca -0.19 0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 3a6p h TYR 662 Cb 1.16 0.88 -0.03 0.00 1.54 0.00 0.00 36.73 40.28 3a6p h TYR 662 CO 0.13 -0.42 0.10 0.93 -1.64 0.00 0.00 178.16 177.26 3a6p h GLU 663 N -0.18 1.10 -0.32 1.82 4.39 -1.92 0.54 114.58 120.01 3a6p h GLU 663 Ca 0.13 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.60 3a6p h GLU 663 Cb 0.50 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 3a6p h GLU 663 CO -0.79 1.01 -0.13 -0.09 -1.16 0.00 0.00 179.01 177.85 3a6p h ARG 664 N 1.02 -0.07 0.00 2.33 9.65 -1.71 0.13 114.38 125.73 3a6p h ARG 664 Ca 0.20 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.01 3a6p h ARG 664 Cb 0.45 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3a6p h ARG 664 CO 0.01 -0.05 -0.34 1.96 2.80 0.00 0.00 179.97 184.35 3a6p h GLN 665 N -0.07 0.00 -0.04 0.20 4.20 -1.05 -2.09 115.11 116.25 3a6p h GLN 665 Ca 0.16 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 3a6p h GLN 665 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3a6p h GLN 665 CO -0.37 0.34 -0.62 -0.22 -0.67 0.00 0.00 178.83 177.29 3a6p h LYS 666 N 0.00 0.14 0.03 1.46 1.63 0.82 -2.55 116.57 118.10 3a6p h LYS 666 Ca -0.00 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3a6p h LYS 666 Cb 0.79 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 3a6p h LYS 666 CO 0.04 0.72 -0.01 0.28 -3.45 0.00 0.00 179.45 177.03 3a6p h VAL 667 N 0.10 1.36 -0.88 2.00 2.07 -0.54 -2.84 116.25 117.51 3a6p h VAL 667 Ca -0.01 -1.80 0.19 0.00 0.82 0.00 0.00 66.70 65.89 3a6p h VAL 667 Cb 1.12 2.47 -0.17 0.00 -1.52 0.00 0.00 31.29 33.19 3a6p h VAL 667 CO 0.09 0.42 -0.18 0.15 0.02 0.00 0.00 177.57 178.07 3a6p h PHE 668 N -0.90 -0.40 0.00 1.57 3.57 -1.42 -2.26 116.94 117.10 3a6p h PHE 668 Ca -0.00 0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.35 3a6p h PHE 668 Cb 0.72 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3a6p h PHE 668 CO 0.19 -0.38 -1.11 -0.07 -2.23 0.00 0.00 178.31 174.71 3a6p h LEU 669 N 0.01 0.00 -0.77 0.59 3.38 -1.49 0.41 115.31 117.44 3a6p h LEU 669 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 3a6p h LEU 669 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3a6p h LEU 669 CO -0.89 0.98 -0.54 -0.33 0.09 0.00 0.00 178.44 177.75 3a6p h GLU 670 N 0.00 0.00 0.08 1.13 5.08 -1.30 -0.05 114.58 119.52 3a6p h GLU 670 Ca -0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 3a6p h GLU 670 Cb 1.80 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.07 3a6p h GLU 670 CO 0.12 0.54 -1.00 1.49 -1.00 0.00 0.00 179.01 179.16 3a6p h GLU 671 N 0.00 0.54 -0.89 2.33 4.81 -1.12 -2.73 114.58 117.52 3a6p h GLU 671 Ca -0.01 -0.68 0.07 0.00 -0.13 0.00 0.00 59.36 58.61 3a6p h GLU 671 Cb 1.06 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 3a6p h GLU 671 CO 0.07 1.29 0.58 1.25 -0.73 0.00 0.00 179.01 181.46 3a6p h LEU 672 N 0.10 0.86 -1.88 1.64 5.85 0.16 -2.38 115.31 119.66 3a6p h LEU 672 Ca -0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3a6p h LEU 672 Cb 1.70 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3a6p h LEU 672 CO 0.19 0.55 0.00 0.23 -0.34 0.00 0.00 178.44 179.07 3a6p n MET 673 N -4.50 2.20 -0.24 1.25 2.81 -0.06 -4.58 117.12 114.00 3a6p n MET 673 Ca 0.14 -1.84 -0.08 0.00 -1.81 0.00 0.00 57.70 54.11 3a6p n MET 673 Cb 0.22 -1.43 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 3a6p n MET 673 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a6p h ALA 674 N 4.09 0.90 -0.48 3.04 0.00 -1.10 -0.80 119.26 124.91 3a6p h ALA 674 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a6p h ALA 674 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3a6p h ALA 674 CO 0.00 0.66 0.29 -1.35 0.00 0.00 0.00 179.25 178.84 3a6p h PRO 675 N 1.04 0.66 -0.62 0.00 0.11 -1.81 -2.64 132.00 128.74 3a6p h PRO 675 Ca 0.21 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3a6p h PRO 675 Cb 0.43 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3a6p h PRO 675 CO 0.01 0.49 0.12 0.28 -0.21 0.00 0.00 178.00 178.69 3a6p h VAL 676 N 0.64 1.26 -0.36 3.15 2.07 -1.71 0.12 116.25 121.41 3a6p h VAL 676 Ca 0.17 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3a6p h VAL 676 Cb 0.00 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3a6p h VAL 676 CO -0.03 0.36 0.08 0.00 0.02 0.00 0.00 177.57 178.00 3a6p h ALA 677 N 1.03 1.46 0.33 1.67 0.00 -1.18 -2.17 119.26 120.40 3a6p h ALA 677 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3a6p h ALA 677 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a6p h ALA 677 CO 0.01 0.40 -0.16 0.77 0.00 0.00 0.00 179.25 180.27 3a6p h SER 678 N 0.53 -0.37 -0.28 0.00 0.02 -0.62 -1.62 113.55 111.19 3a6p h SER 678 Ca 0.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3a6p h SER 678 Cb 0.22 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3a6p h SER 678 CO -0.00 -0.14 0.13 0.40 -1.14 0.00 0.00 176.83 176.08 3a6p h ILE 679 N -0.60 1.13 0.14 3.27 2.04 -1.22 -2.65 117.51 119.62 3a6p h ILE 679 Ca -0.05 -0.42 -0.34 0.00 1.00 0.00 0.00 64.86 65.05 3a6p h ILE 679 Cb 0.44 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3a6p h ILE 679 CO 0.07 0.16 -1.79 -0.25 0.00 0.00 0.00 178.15 176.35 3a6p h TRP 680 N 0.47 0.56 -0.07 1.37 2.91 -1.32 -3.29 115.95 116.57 3a6p h TRP 680 Ca 0.12 -0.41 0.00 0.00 1.13 0.00 0.00 58.89 59.73 3a6p h TRP 680 Cb 0.11 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3a6p h TRP 680 CO 0.00 1.62 0.00 1.28 -1.03 0.00 0.00 178.44 180.31 3a6p n LEU 681 N -3.50 1.71 -4.77 0.65 4.77 -0.62 -4.47 117.00 110.77 3a6p n LEU 681 Ca -0.25 -0.62 -0.40 0.00 -0.03 0.00 0.00 56.01 54.71 3a6p n LEU 681 Cb 1.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3a6p n LEU 681 CO 0.48 0.31 1.04 -0.94 -1.33 0.00 0.00 177.39 176.95 3a6p s SER 682 N -1.86 6.21 0.17 -1.43 1.04 -1.00 -4.81 113.70 112.01 3a6p s SER 682 Ca 0.36 2.84 -0.20 0.00 0.48 0.00 0.00 55.95 59.43 3a6p s SER 682 Cb 0.20 -2.65 0.09 0.00 0.10 0.00 0.00 66.02 63.76 3a6p s SER 682 CO 0.31 -0.94 1.62 -0.61 0.98 0.00 0.00 173.24 174.60 3a6p h GLN 683 N 2.70 -0.16 -0.00 4.02 4.15 -1.92 -1.02 115.11 122.88 3a6p h GLN 683 Ca -0.50 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 58.82 3a6p h GLN 683 Cb 1.25 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 3a6p h GLN 683 CO 0.63 -0.11 -0.51 0.38 -1.93 0.00 0.00 178.83 177.29 3a6p h ASP 684 N -0.17 0.01 -0.13 -0.69 -0.00 -1.95 -2.83 116.42 110.66 3a6p h ASP 684 Ca 0.19 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.22 3a6p h ASP 684 Cb 0.47 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 3a6p h ASP 684 CO -0.50 0.51 0.08 -0.03 -0.00 0.00 0.00 179.24 179.30 3a6p h MET 685 N 0.01 0.18 -0.97 4.15 4.05 -1.50 -1.70 114.93 119.15 3a6p h MET 685 Ca -0.00 -0.02 0.24 0.00 -0.28 0.00 0.00 59.70 59.64 3a6p h MET 685 Cb 0.90 -0.04 -0.18 0.00 -0.80 0.00 0.00 31.60 31.48 3a6p h MET 685 CO 0.07 0.18 -0.05 1.25 0.23 0.00 0.00 176.91 178.58 3a6p h HIS 686 N 0.13 -0.18 -0.49 1.39 6.17 -1.06 0.89 115.15 122.00 3a6p h HIS 686 Ca 0.05 0.07 -0.12 0.00 0.71 0.00 0.00 60.37 61.08 3a6p h HIS 686 Cb 0.05 0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.19 3a6p h HIS 686 CO -0.05 -0.41 -0.16 -0.09 0.71 0.00 0.00 177.93 177.93 3a6p h ARG 687 N 0.02 0.96 -0.60 5.26 2.43 -1.39 -1.09 114.38 119.96 3a6p h ARG 687 Ca 0.55 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3a6p h ARG 687 Cb 1.04 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3a6p h ARG 687 CO -0.92 1.04 0.31 0.28 -1.51 0.00 0.00 179.97 179.17 3a6p h VAL 688 N 0.84 1.19 0.00 0.20 2.07 -0.01 -1.06 116.25 119.48 3a6p h VAL 688 Ca 0.12 -0.50 -0.20 0.00 0.82 0.00 0.00 66.70 66.95 3a6p h VAL 688 Cb 0.71 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3a6p h VAL 688 CO 0.05 0.21 -1.16 -0.07 0.02 0.00 0.00 177.57 176.62 3a6p h LEU 689 N 0.84 0.00 0.05 2.57 3.38 -0.80 -3.26 115.31 118.09 3a6p h LEU 689 Ca 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.87 3a6p h LEU 689 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3a6p h LEU 689 CO -0.03 0.80 -1.71 -1.20 0.09 0.00 0.00 178.44 176.39 3a6p n SER 690 N -3.14 1.98 -4.81 -0.43 7.64 -0.43 -3.25 113.62 111.17 3a6p n SER 690 Ca -0.06 0.31 -0.38 0.00 1.01 0.00 0.00 58.87 59.75 3a6p n SER 690 Cb 0.90 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 63.15 3a6p n SER 690 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a6p s ASP 691 N -6.97 7.08 0.49 6.43 -1.08 -0.41 -4.80 116.67 117.40 3a6p s ASP 691 Ca -0.27 1.30 0.28 0.00 -0.52 0.00 0.00 52.55 53.34 3a6p s ASP 691 Cb 0.07 -2.37 0.88 0.00 -1.46 0.00 0.00 42.92 40.04 3a6p s ASP 691 CO 0.65 0.23 1.80 0.58 0.52 0.00 0.00 175.17 178.96 3a6p h VAL 692 N 3.38 0.10 0.00 1.11 2.07 -1.88 -3.08 116.25 117.96 3a6p h VAL 692 Ca -0.49 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3a6p h VAL 692 Cb 1.21 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3a6p h VAL 692 CO 0.64 0.05 -0.72 0.44 0.02 0.00 0.00 177.57 178.00 3a6p h ASP 693 N 0.00 0.00 -0.26 0.57 3.45 -1.92 -3.17 116.42 115.09 3a6p h ASP 693 Ca -0.00 -0.25 0.07 0.00 0.43 0.00 0.00 57.03 57.29 3a6p h ASP 693 Cb 0.76 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3a6p h ASP 693 CO 0.01 1.02 0.26 0.00 -1.57 0.00 0.00 179.24 178.96 3a6p h ALA 694 N -0.75 1.95 -0.28 3.45 0.00 -1.83 0.39 119.26 122.19 3a6p h ALA 694 Ca -0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3a6p h ALA 694 Cb 0.79 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a6p h ALA 694 CO -0.08 -0.40 -0.49 0.35 0.00 0.00 0.00 179.25 178.64 3a6p h PHE 695 N 0.00 0.93 0.45 0.00 3.57 -1.57 -0.08 116.94 120.25 3a6p h PHE 695 Ca 0.12 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 3a6p h PHE 695 Cb 0.65 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3a6p h PHE 695 CO 0.00 1.09 -0.22 0.82 -2.23 0.00 0.00 178.31 177.77 3a6p h ILE 696 N 0.60 0.54 -0.78 1.41 1.08 -0.24 -1.73 117.51 118.39 3a6p h ILE 696 Ca 0.03 -0.19 0.15 0.00 -0.39 0.00 0.00 64.86 64.46 3a6p h ILE 696 Cb 1.06 0.64 -0.15 0.00 -3.07 0.00 0.00 36.82 35.30 3a6p h ILE 696 CO 0.10 0.04 -0.20 0.00 -0.69 0.00 0.00 178.15 177.40 3a6p h ALA 697 N -0.23 0.51 0.63 1.87 0.00 -1.21 0.48 119.26 121.31 3a6p h ALA 697 Ca -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3a6p h ALA 697 Cb 0.52 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3a6p h ALA 697 CO 0.10 -0.41 -0.30 -0.92 0.00 0.00 0.00 179.25 177.72 3a6p h TYR 698 N -0.00 -0.79 0.00 0.00 3.20 -0.71 -3.21 116.97 115.46 3a6p h TYR 698 Ca 0.37 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 3a6p h TYR 698 Cb 0.57 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 3a6p h TYR 698 CO -0.62 -0.49 -0.08 -0.39 -1.64 0.00 0.00 178.16 174.94 3a6p h VAL 699 N -0.95 0.16 -5.08 1.81 -1.51 -1.31 -3.45 116.25 105.92 3a6p h VAL 699 Ca -0.09 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.45 3a6p h VAL 699 Cb 0.65 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3a6p h VAL 699 CO 0.14 0.08 -0.39 0.61 -1.23 0.00 0.00 177.57 176.78 3a6p n GLY 700 N 0.55 -1.25 0.12 5.19 0.00 0.17 -4.73 105.19 105.24 3a6p n GLY 700 Ca 0.02 1.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.86 3a6p n GLY 700 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a6p h THR 701 N 1.61 1.32 -1.45 2.61 1.35 -1.89 -3.45 112.91 113.02 3a6p h THR 701 Ca 0.00 -2.51 -0.51 0.00 -0.55 0.00 0.00 66.41 62.84 3a6p h THR 701 Cb 0.92 3.02 -0.08 0.00 -1.73 0.00 0.00 68.15 70.28 3a6p h THR 701 CO 0.19 0.73 1.22 1.51 -0.25 0.00 0.00 175.52 178.92 3a6p s ASP 702 N -7.07 6.00 0.04 5.36 -4.77 -1.26 -4.14 116.67 110.83 3a6p s ASP 702 Ca -0.15 -0.84 -0.05 0.00 -3.30 0.00 0.00 52.55 48.21 3a6p s ASP 702 Cb 0.02 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.28 3a6p s ASP 702 CO 0.82 -1.94 0.09 -1.58 0.70 0.00 0.00 175.17 173.26 3a6p s GLN 703 N 5.81 0.60 -0.04 2.11 2.00 -1.26 -4.84 119.66 124.04 3a6p s GLN 703 Ca 0.50 -0.80 0.09 0.00 -2.00 0.00 0.00 55.36 53.16 3a6p s GLN 703 Cb -0.05 0.23 0.17 0.00 0.80 0.00 0.00 33.01 34.17 3a6p s GLN 703 CO 0.02 -0.15 1.10 1.63 -0.50 0.00 0.00 175.29 177.38 3a6p n LYS 704 N 0.69 0.17 -0.44 1.67 5.02 -1.26 -4.41 118.16 119.59 3a6p n LYS 704 Ca -0.18 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 3a6p n LYS 704 Cb 0.59 0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 3a6p n LYS 704 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3a6p n ASP 707 N 0.00 0.00 0.09 4.39 9.92 -1.26 -5.05 116.55 124.64 3a6p n ASP 707 Ca -0.16 0.13 -0.13 0.00 -0.53 0.00 0.00 54.79 54.10 3a6p n ASP 707 Cb 0.85 -0.56 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 3a6p n ASP 707 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3a6p h PRO 708 N 0.50 0.28 0.00 -0.24 0.14 -2.06 -3.45 132.00 127.17 3a6p h PRO 708 Ca 0.00 -0.38 0.00 0.00 0.14 0.00 0.00 66.00 65.76 3a6p h PRO 708 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 31.00 31.27 3a6p h PRO 708 CO 0.00 1.12 -0.67 0.41 0.14 0.00 0.00 178.00 179.00 3a6p n GLY 709 N 1.21 0.00 3.56 1.56 0.00 -1.26 -4.99 105.19 105.27 3a6p n GLY 709 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3a6p n GLY 709 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a6p s LEU 710 N -3.66 3.20 -0.12 0.99 0.20 -1.26 -4.79 118.68 113.24 3a6p s LEU 710 Ca 0.00 -0.74 -0.14 0.00 0.69 0.00 0.00 54.13 53.94 3a6p s LEU 710 Cb 0.00 -2.56 -0.26 0.00 -0.43 0.00 0.00 46.19 42.94 3a6p s LEU 710 CO 0.00 -2.63 0.47 -0.08 -0.29 0.00 0.00 176.35 173.82 3a6p h GLU 711 N 11.16 0.22 0.00 1.98 4.22 -1.95 -3.45 114.58 126.76 3a6p h GLU 711 Ca 0.11 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.16 3a6p h GLU 711 Cb 1.01 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a6p h GLU 711 CO 1.23 1.18 0.00 -0.25 -2.18 0.00 0.00 179.01 178.99 3a6p n ASP 712 N -3.87 0.00 -0.39 1.04 8.00 -1.26 -3.91 116.55 116.16 3a6p n ASP 712 Ca -0.28 0.00 0.37 0.00 0.71 0.00 0.00 54.79 55.59 3a6p n ASP 712 Cb 0.92 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 42.74 3a6p n ASP 712 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3a6p h PRO 713 N 0.00 0.05 0.00 -0.24 0.13 -2.01 -2.59 132.00 127.34 3a6p h PRO 713 Ca 0.00 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3a6p h PRO 713 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 3a6p h PRO 713 CO 0.00 0.03 -0.74 0.00 -0.23 0.00 0.00 178.00 177.06 3a6p h GLY 715 N 3.78 1.08 1.52 0.00 0.00 -1.75 -2.91 103.07 104.80 3a6p h GLY 715 Ca -0.04 -0.85 -0.14 0.00 0.00 0.00 0.00 47.33 46.30 3a6p h GLY 715 CO 0.03 0.78 -0.46 -2.00 0.00 0.00 0.00 176.54 174.89 3a6p h LEU 716 N 0.88 0.56 0.05 3.11 5.85 -1.69 -2.56 115.31 121.50 3a6p h LEU 716 Ca 0.14 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3a6p h LEU 716 Cb 0.63 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3a6p h LEU 716 CO 0.04 0.93 -0.02 0.78 -0.34 0.00 0.00 178.44 179.83 3a6p h ASN 717 N 0.42 -0.05 0.00 1.25 2.35 -1.55 -1.63 115.58 116.36 3a6p h ASN 717 Ca 0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3a6p h ASN 717 Cb 0.96 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3a6p h ASN 717 CO 0.09 0.21 0.00 -2.11 -1.65 0.00 0.00 177.43 173.97 3a6p n ARG 718 N -4.99 0.75 -0.07 0.81 1.85 -1.10 -1.90 116.66 112.00 3a6p n ARG 718 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.72 3a6p n ARG 718 Cb 0.16 -1.31 -0.14 0.00 -1.05 0.00 0.00 32.46 30.12 3a6p n ARG 718 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a6p n ALA 719 N -0.81 1.79 0.00 2.89 0.00 -0.84 -3.39 120.51 120.15 3a6p n ALA 719 Ca 0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.36 3a6p n ALA 719 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 3a6p n ALA 719 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3a6p h ARG 720 N 0.00 0.68 -0.43 0.00 2.43 -0.65 -1.79 114.38 114.62 3a6p h ARG 720 Ca -0.39 -0.56 -0.07 0.00 -0.81 0.00 0.00 59.98 58.15 3a6p h ARG 720 Cb 1.86 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.52 3a6p h ARG 720 CO 0.02 1.17 -0.01 1.98 -1.51 0.00 0.00 179.97 181.62 3a6p h MET 721 N 0.46 0.77 -0.78 0.20 4.05 -1.56 -1.30 114.93 116.77 3a6p h MET 721 Ca -0.05 -0.25 0.10 0.00 -0.28 0.00 0.00 59.70 59.22 3a6p h MET 721 Cb 1.38 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 32.06 3a6p h MET 721 CO 0.15 0.85 0.51 0.77 0.23 0.00 0.00 176.91 179.42 3a6p h SER 722 N 0.61 0.64 -0.44 1.39 0.02 -1.58 -2.70 113.55 111.48 3a6p h SER 722 Ca 0.12 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3a6p h SER 722 Cb 0.51 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3a6p h SER 722 CO 0.02 0.38 0.29 0.15 -1.14 0.00 0.00 176.83 176.53 3a6p h PHE 723 N 0.71 0.56 -0.23 3.45 3.57 -0.33 -0.40 116.94 124.26 3a6p h PHE 723 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3a6p h PHE 723 Cb 0.46 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3a6p h PHE 723 CO -0.00 0.36 0.10 0.00 -2.23 0.00 0.00 178.31 176.54 3a6p h VAL 725 N 0.23 1.21 -0.13 0.00 2.07 -1.29 0.48 116.25 118.82 3a6p h VAL 725 Ca 0.08 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3a6p h VAL 725 Cb 0.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3a6p h VAL 725 CO -0.01 0.25 0.06 1.88 0.02 0.00 0.00 177.57 179.77 3a6p h TYR 726 N 0.78 0.17 0.11 1.57 0.99 -0.97 -1.95 116.97 117.67 3a6p h TYR 726 Ca 0.19 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.76 3a6p h TYR 726 Cb 0.16 -0.06 0.02 0.00 1.00 0.00 0.00 36.73 37.85 3a6p h TYR 726 CO 0.00 0.13 -0.71 0.77 -0.00 0.00 0.00 178.16 178.35 3a6p h SER 727 N 0.18 0.43 -0.43 3.88 0.02 -0.45 -1.72 113.55 115.47 3a6p h SER 727 Ca 0.05 -0.94 0.01 0.00 -0.84 0.00 0.00 61.79 60.07 3a6p h SER 727 Cb 0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3a6p h SER 727 CO -0.01 1.33 0.27 0.40 -1.14 0.00 0.00 176.83 177.68 3a6p h ILE 728 N -0.40 1.08 -0.50 3.27 2.04 -0.87 -1.18 117.51 120.95 3a6p h ILE 728 Ca -0.12 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3a6p h ILE 728 Cb 1.54 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3a6p h ILE 728 CO 0.13 0.10 0.27 0.25 0.00 0.00 0.00 178.15 178.90 3a6p h LEU 729 N 0.54 0.61 -0.28 1.44 6.46 -1.40 -2.22 115.31 120.47 3a6p h LEU 729 Ca 0.16 -0.04 -0.21 0.00 -0.12 0.00 0.00 57.88 57.67 3a6p h LEU 729 Cb -0.03 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 3a6p h LEU 729 CO -0.06 0.50 -0.80 1.23 -0.62 0.00 0.00 178.44 178.70 3a6p h GLY 730 N 0.77 0.58 0.47 3.75 0.00 -0.29 -1.41 103.07 106.95 3a6p h GLY 730 Ca 0.18 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3a6p h GLY 730 CO -0.03 0.77 -0.06 -2.08 0.00 0.00 0.00 176.54 175.14 3a6p h VAL 731 N 0.35 1.07 -0.61 4.60 2.07 -1.02 -2.76 116.25 119.94 3a6p h VAL 731 Ca -0.05 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.50 3a6p h VAL 731 Cb 1.40 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 3a6p h VAL 731 CO 0.15 0.24 0.23 0.58 0.02 0.00 0.00 177.57 178.79 3a6p h VAL 732 N -0.69 0.78 0.00 2.57 2.07 -1.43 0.13 116.25 119.68 3a6p h VAL 732 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3a6p h VAL 732 Cb 0.52 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3a6p h VAL 732 CO 0.03 0.08 -0.07 0.50 0.02 0.00 0.00 177.57 178.12 3a6p h LYS 733 N 0.42 0.00 0.00 1.57 3.64 -1.21 -3.35 116.57 117.64 3a6p h LYS 733 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3a6p h LYS 733 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3a6p h LYS 733 CO -0.30 0.07 -0.96 0.54 -2.27 0.00 0.00 179.45 176.53 3a6p n ARG 734 N -4.09 2.30 -1.90 1.90 3.00 -0.69 -5.03 116.66 112.16 3a6p n ARG 734 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.40 3a6p n ARG 734 Cb 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 32.46 31.63 3a6p n ARG 734 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3a6p s THR 735 N -1.94 2.30 -0.29 0.55 2.01 0.39 -4.70 115.64 113.95 3a6p s THR 735 Ca 0.00 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 3a6p s THR 735 Cb 0.00 -3.18 0.16 0.00 0.01 0.00 0.00 72.50 69.49 3a6p s THR 735 CO 0.00 0.06 1.17 0.00 -0.69 0.00 0.00 174.62 175.16 3a6p s TRP 737 N 0.56 2.59 0.46 0.00 -2.14 -1.26 -4.86 118.94 114.30 3a6p s TRP 737 Ca -0.00 1.55 -0.25 0.00 2.66 0.00 0.00 56.10 60.06 3a6p s TRP 737 Cb -0.04 -3.21 -0.08 0.00 -3.10 0.00 0.00 33.47 27.04 3a6p s TRP 737 CO -0.12 -1.73 1.43 -2.30 -2.66 0.00 0.00 176.95 171.58 3a6p n PRO 738 N -2.23 2.21 -0.36 3.25 -0.02 -1.26 -4.89 135.00 131.71 3a6p n PRO 738 Ca 0.11 0.79 0.02 0.00 -2.02 0.00 0.00 63.50 62.40 3a6p n PRO 738 Cb 0.52 -2.63 0.18 0.00 -0.02 0.00 0.00 33.50 31.55 3a6p n PRO 738 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3a6p h THR 739 N 2.23 1.10 -3.01 3.45 2.02 -1.99 -3.42 112.91 113.30 3a6p h THR 739 Ca -0.51 -0.40 -0.56 0.00 0.77 0.00 0.00 66.41 65.71 3a6p h THR 739 Cb 1.27 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3a6p h THR 739 CO 0.61 0.21 0.80 -0.62 0.37 0.00 0.00 175.52 176.89 3a6p s ASP 740 N -5.95 7.01 0.27 4.18 3.68 -1.26 -4.94 116.67 119.65 3a6p s ASP 740 Ca -0.12 1.73 -0.04 0.00 2.13 0.00 0.00 52.55 56.25 3a6p s ASP 740 Cb 0.20 -2.55 0.33 0.00 -1.45 0.00 0.00 42.92 39.45 3a6p s ASP 740 CO 0.81 -0.67 1.89 0.25 0.13 0.00 0.00 175.17 177.58 3a6p h LEU 741 N 8.96 1.00 -0.15 -1.34 6.46 -1.99 0.12 115.31 128.37 3a6p h LEU 741 Ca -0.30 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 3a6p h LEU 741 Cb 1.13 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 3a6p h LEU 741 CO 0.93 0.80 -0.01 -0.33 -0.62 0.00 0.00 178.44 179.21 3a6p h GLU 742 N 1.13 0.27 -0.51 1.25 3.07 -1.95 -1.33 114.58 116.51 3a6p h GLU 742 Ca 0.28 -0.09 0.09 0.00 -0.50 0.00 0.00 59.36 59.15 3a6p h GLU 742 Cb 0.02 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.84 3a6p h GLU 742 CO -0.05 0.51 0.07 0.93 -1.40 0.00 0.00 179.01 179.08 3a6p h GLU 743 N 0.01 0.19 -0.58 2.33 5.08 -1.86 0.30 114.58 120.05 3a6p h GLU 743 Ca 0.04 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3a6p h GLU 743 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3a6p h GLU 743 CO 0.01 0.12 0.38 0.00 -1.00 0.00 0.00 179.01 178.53 3a6p h ALA 744 N 1.42 1.61 0.26 3.43 0.00 -0.81 0.30 119.26 125.47 3a6p h ALA 744 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a6p h ALA 744 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a6p h ALA 744 CO -0.37 0.36 -0.13 0.87 0.00 0.00 0.00 179.25 179.98 3a6p h LYS 745 N 0.76 -0.34 -0.72 0.00 1.57 0.15 -0.48 116.57 117.51 3a6p h LYS 745 Ca 0.21 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.17 3a6p h LYS 745 Cb -0.06 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.19 3a6p h LYS 745 CO -0.05 -0.02 -0.09 0.00 -0.57 0.00 0.00 179.45 178.72 3a6p h ALA 746 N -0.64 0.61 -0.07 3.86 0.00 -0.33 0.11 119.26 122.80 3a6p h ALA 746 Ca -0.04 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3a6p h ALA 746 Cb 0.47 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3a6p h ALA 746 CO 0.06 -0.42 0.23 0.78 0.00 0.00 0.00 179.25 179.89 3a6p h GLY 747 N 0.05 0.00 0.00 0.00 0.00 -0.38 -3.45 103.07 99.29 3a6p h GLY 747 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3a6p h GLY 747 CO -0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.45 3a6p n GLY 748 N -1.24 1.04 0.12 4.60 0.00 0.39 -1.29 105.19 108.80 3a6p n GLY 748 Ca -0.01 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3a6p n GLY 748 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3a6p h PHE 749 N 0.00 0.00 -3.61 1.61 -1.00 -1.23 -3.44 116.94 109.27 3a6p h PHE 749 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 3a6p h PHE 749 Cb 0.31 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.71 3a6p h PHE 749 CO 0.00 0.45 -0.12 0.08 -1.61 0.00 0.00 178.31 177.11 3a6p s VAL 750 N -3.01 5.05 0.06 -0.55 1.01 -1.25 -0.94 120.40 120.78 3a6p s VAL 750 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3a6p s VAL 750 Cb 0.08 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3a6p s VAL 750 CO 0.78 -0.23 1.32 0.58 0.00 0.00 0.00 175.10 177.55 3a6p h VAL 751 N 5.62 1.34 -0.04 2.92 2.07 -0.55 -3.49 116.25 124.13 3a6p h VAL 751 Ca -0.28 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3a6p h VAL 751 Cb 1.13 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3a6p h VAL 751 CO 0.76 0.50 0.00 0.61 0.02 0.00 0.00 177.57 179.46 3a6p n GLY 752 N 0.44 1.18 3.19 2.17 0.00 -1.08 -4.99 105.19 106.09 3a6p n GLY 752 Ca -0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3a6p n GLY 752 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a6p s TYR 753 N -1.32 0.71 0.56 1.61 1.51 -1.26 -0.65 117.35 118.50 3a6p s TYR 753 Ca 0.00 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 54.93 3a6p s TYR 753 Cb 0.00 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.50 3a6p s TYR 753 CO 0.00 -0.56 0.83 0.99 -1.11 0.00 0.00 175.55 175.70 3a6p s THR 754 N -4.01 3.50 0.36 -0.71 2.01 -0.87 -4.79 115.64 111.12 3a6p s THR 754 Ca 0.21 -0.25 0.12 0.00 0.31 0.00 0.00 61.69 62.07 3a6p s THR 754 Cb 0.06 -3.36 0.34 0.00 0.01 0.00 0.00 72.50 69.56 3a6p s THR 754 CO 0.00 -0.32 1.81 0.77 -0.69 0.00 0.00 174.62 176.19 3a6p h SER 755 N -0.02 0.61 0.92 3.53 4.64 -2.02 4.21 113.55 125.42 3a6p h SER 755 Ca -0.45 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3a6p h SER 755 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3a6p h SER 755 CO 0.59 0.22 0.00 -0.24 -0.87 0.00 0.00 176.83 176.53 3a6p n SER 756 N -4.64 0.00 -2.69 4.97 2.88 -1.26 -4.94 113.62 107.94 3a6p n SER 756 Ca 0.22 0.46 -0.07 0.00 -1.33 0.00 0.00 58.87 58.15 3a6p n SER 756 Cb 0.64 -0.49 0.03 0.00 -0.75 0.00 0.00 64.21 63.65 3a6p n SER 756 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a6p n GLY 757 N 1.32 -0.70 3.58 0.46 0.00 1.39 -5.07 105.19 106.16 3a6p n GLY 757 Ca 0.07 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 3a6p n GLY 757 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a6p s ASN 758 N -3.07 4.57 0.39 1.61 0.01 -1.26 -4.67 114.94 112.53 3a6p s ASN 758 Ca 0.21 -0.09 -0.27 0.00 -0.71 0.00 0.00 52.86 52.00 3a6p s ASN 758 Cb -0.03 -1.10 -0.11 0.00 0.41 0.00 0.00 41.25 40.43 3a6p s ASN 758 CO 0.53 0.33 1.37 -0.81 -1.51 0.00 0.00 177.10 177.00 3a6p n PRO 759 N 1.98 2.26 -3.91 -0.60 -0.04 -1.26 -2.04 135.00 131.39 3a6p n PRO 759 Ca -0.17 0.80 -0.35 0.00 -0.04 0.00 0.00 63.50 63.74 3a6p n PRO 759 Cb 0.53 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.35 3a6p n PRO 759 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a6p s ILE 760 N -1.15 3.12 0.26 0.52 -1.09 0.18 -4.90 121.20 118.15 3a6p s ILE 760 Ca 0.57 -1.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 3a6p s ILE 760 Cb -0.50 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3a6p s ILE 760 CO 0.61 0.09 0.33 -0.36 -1.23 0.00 0.00 174.94 174.39 3a6p s PHE 761 N 1.34 3.28 -0.04 3.97 0.40 -1.26 0.22 117.98 125.88 3a6p s PHE 761 Ca -0.01 -0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 3a6p s PHE 761 Cb -0.18 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 3a6p s PHE 761 CO -0.02 0.37 -0.24 -0.98 0.70 0.00 0.00 175.22 175.05 3a6p s ARG 762 N -3.98 2.38 -0.04 0.44 3.03 -0.12 -4.81 118.95 115.86 3a6p s ARG 762 Ca 0.36 -0.89 -0.30 0.00 2.03 0.00 0.00 55.73 56.93 3a6p s ARG 762 Cb -0.09 -2.15 -0.02 0.00 -1.03 0.00 0.00 34.95 31.66 3a6p s ARG 762 CO 0.28 0.48 1.01 1.21 -1.13 0.00 0.00 175.30 177.15 3a6p s ASN 763 N -0.40 7.29 0.59 -2.89 3.84 -1.26 -4.88 114.94 117.23 3a6p s ASN 763 Ca 0.04 1.64 0.29 0.00 0.21 0.00 0.00 52.86 55.03 3a6p s ASN 763 Cb -0.12 -2.56 1.44 0.00 -0.55 0.00 0.00 41.25 39.45 3a6p s ASN 763 CO 0.01 -0.36 1.84 -0.65 -2.79 0.00 0.00 177.10 175.16 3a6p h PRO 764 N 6.95 0.00 -0.22 0.43 0.11 -1.94 -2.62 132.00 134.71 3a6p h PRO 764 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3a6p h PRO 764 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a6p h PRO 764 CO 0.80 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 3a6p h THR 766 N 4.16 0.25 -0.76 0.00 2.02 -1.87 0.20 112.91 116.90 3a6p h THR 766 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 3a6p h THR 766 Cb 0.90 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 3a6p h THR 766 CO 0.00 0.00 0.38 -0.08 0.37 0.00 0.00 175.52 176.19 3a6p h GLU 767 N -0.93 0.59 -0.05 6.66 4.81 -1.81 0.16 114.58 124.01 3a6p h GLU 767 Ca -0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3a6p h GLU 767 Cb 0.75 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3a6p h GLU 767 CO 0.08 0.39 -0.01 0.37 -0.73 0.00 0.00 179.01 179.12 3a6p h GLN 768 N 0.61 0.09 -0.20 1.92 5.75 -1.83 -2.95 115.11 118.51 3a6p h GLN 768 Ca 0.39 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.69 3a6p h GLN 768 Cb 0.45 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3a6p h GLN 768 CO -0.30 0.40 -0.54 0.82 -2.65 0.00 0.00 178.83 176.56 3a6p h ILE 769 N -0.23 1.32 -0.45 2.39 1.08 0.18 -3.04 117.51 118.76 3a6p h ILE 769 Ca 0.01 -1.78 -0.05 0.00 -0.39 0.00 0.00 64.86 62.65 3a6p h ILE 769 Cb 0.36 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 3a6p h ILE 769 CO 0.00 0.56 0.08 -0.07 -0.69 0.00 0.00 178.15 178.03 3a6p h LEU 770 N 0.45 0.65 -2.03 1.44 3.38 -0.76 -1.28 115.31 117.16 3a6p h LEU 770 Ca 0.01 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 770 Cb 1.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3a6p h LEU 770 CO 0.10 0.67 0.27 0.11 0.09 0.00 0.00 178.44 179.68 3a6p h LYS 771 N 0.67 0.00 -0.01 1.13 1.57 -1.39 -1.60 116.57 116.94 3a6p h LYS 771 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3a6p h LYS 771 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3a6p h LYS 771 CO 0.00 0.00 -0.29 1.28 -0.57 0.00 0.00 179.45 179.87 3a6p n LEU 772 N -4.34 1.17 -0.31 2.94 4.77 -0.50 -4.42 117.00 116.32 3a6p n LEU 772 Ca 0.06 -0.34 0.01 0.00 -0.03 0.00 0.00 56.01 55.71 3a6p n LEU 772 Cb 0.45 -0.10 0.19 0.00 -2.33 0.00 0.00 43.42 41.63 3a6p n LEU 772 CO 0.35 0.22 1.27 0.25 -1.33 0.00 0.00 177.39 178.15 3a6p h LEU 773 N 1.39 1.00 -0.93 2.23 6.46 -1.09 -2.86 115.31 121.51 3a6p h LEU 773 Ca 0.00 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 3a6p h LEU 773 Cb 0.54 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3a6p h LEU 773 CO 0.00 0.69 0.15 0.44 -0.62 0.00 0.00 178.44 179.10 3a6p h ASP 774 N 1.16 0.88 1.24 1.25 3.32 -1.77 -0.95 116.42 121.55 3a6p h ASP 774 Ca 0.36 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a6p h ASP 774 Cb -0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3a6p h ASP 774 CO -0.10 0.85 0.00 0.59 -1.72 0.00 0.00 179.24 178.86 3a6p n ASN 775 N -4.26 0.44 -0.06 6.45 3.02 -1.09 -1.72 115.26 118.04 3a6p n ASN 775 Ca 0.05 0.54 -0.17 0.00 -0.03 0.00 0.00 54.58 54.97 3a6p n ASN 775 Cb 0.23 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 38.61 3a6p n ASN 775 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3a6p h LEU 776 N 0.00 0.08 -0.97 3.41 6.46 -1.10 -1.20 115.31 122.00 3a6p h LEU 776 Ca 0.00 -0.89 -0.08 0.00 -0.12 0.00 0.00 57.88 56.79 3a6p h LEU 776 Cb 0.62 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 3a6p h LEU 776 CO 0.00 1.19 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.81 3a6p h LEU 777 N -0.88 0.59 0.11 2.25 3.38 -1.25 0.19 115.31 119.71 3a6p h LEU 777 Ca -0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3a6p h LEU 777 Cb 1.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3a6p h LEU 777 CO -0.02 0.75 -0.45 0.00 0.09 0.00 0.00 178.44 178.81 3a6p h ALA 778 N 1.31 -0.94 -0.57 1.53 0.00 -1.35 0.60 119.26 119.84 3a6p h ALA 778 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a6p h ALA 778 Cb 0.54 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3a6p h ALA 778 CO 0.03 -1.05 0.28 1.25 0.00 0.00 0.00 179.25 179.77 3a6p h LEU 779 N -0.65 0.39 -0.32 0.00 5.85 -0.62 -1.36 115.31 118.60 3a6p h LEU 779 Ca -0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3a6p h LEU 779 Cb 0.64 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3a6p h LEU 779 CO -0.24 0.26 0.04 0.40 -0.34 0.00 0.00 178.44 178.56 3a6p h ILE 780 N 0.53 0.82 0.26 4.05 2.04 -0.04 0.13 117.51 125.29 3a6p h ILE 780 Ca 0.26 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 66.07 3a6p h ILE 780 Cb 0.19 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3a6p h ILE 780 CO -0.19 0.03 -0.34 -0.09 0.00 0.00 0.00 178.15 177.56 3a6p h ARG 781 N 0.15 -0.63 -0.30 2.37 2.43 0.78 -0.86 114.38 118.32 3a6p h ARG 781 Ca 0.15 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3a6p h ARG 781 Cb 0.18 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3a6p h ARG 781 CO -0.21 -0.42 -0.12 1.15 -1.51 0.00 0.00 179.97 178.86 3a6p h THR 782 N -0.65 0.61 -0.67 0.20 2.02 -0.73 -0.93 112.91 112.76 3a6p h THR 782 Ca -0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3a6p h THR 782 Cb 0.62 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 3a6p h THR 782 CO -0.12 0.00 0.31 -0.74 0.37 0.00 0.00 175.52 175.34 3a6p h HIS 783 N -0.06 0.55 -0.84 3.16 -0.00 -0.54 -1.67 115.15 115.74 3a6p h HIS 783 Ca 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 3a6p h HIS 783 Cb 0.29 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.52 3a6p h HIS 783 CO -0.32 0.19 0.46 -0.91 -0.00 0.00 0.00 177.93 177.35 3a6p h ASN 784 N 0.53 1.04 0.16 3.26 -0.26 0.12 -2.28 115.58 118.15 3a6p h ASN 784 Ca 0.33 -0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 3a6p h ASN 784 Cb 0.36 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3a6p h ASN 784 CO -0.27 0.84 -0.16 0.74 -1.06 0.00 0.00 177.43 177.52 3a6p h THR 785 N 1.17 1.10 -0.01 2.81 2.02 -0.39 -2.35 112.91 117.27 3a6p h THR 785 Ca 0.30 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3a6p h THR 785 Cb 0.02 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3a6p h THR 785 CO -0.05 0.15 0.06 -0.07 0.37 0.00 0.00 175.52 175.98 3a6p h LEU 786 N 0.00 0.00 -0.08 2.58 4.07 -0.74 -1.69 115.31 119.45 3a6p h LEU 786 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3a6p h LEU 786 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3a6p h LEU 786 CO 0.02 0.00 0.00 1.88 -1.08 0.00 0.00 178.44 179.26 3a6p h TYR 787 N 0.00 0.00 -1.67 1.13 -1.99 -1.54 -3.19 116.97 109.70 3a6p h TYR 787 Ca 0.00 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.07 3a6p h TYR 787 Cb 0.11 0.00 0.09 0.00 2.00 0.00 0.00 36.73 38.93 3a6p h TYR 787 CO 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 178.16 178.19 3a6p n ALA 788 N -1.86 -1.59 0.41 3.88 0.00 -0.64 -4.71 120.51 116.01 3a6p n ALA 788 Ca 0.05 0.47 0.06 0.00 0.00 0.00 0.00 53.44 54.01 3a6p n ALA 788 Cb 0.44 -1.89 0.25 0.00 0.00 0.00 0.00 19.45 18.24 3a6p n ALA 788 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3a6p n PRO 789 N 1.38 0.01 -0.09 0.00 -0.04 -1.26 0.28 135.00 135.29 3a6p n PRO 789 Ca 0.16 0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.80 3a6p n PRO 789 Cb 0.23 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.04 3a6p n PRO 789 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3a6p n GLU 790 N -1.49 0.68 0.14 0.54 0.00 -1.26 -4.16 120.64 115.10 3a6p n GLU 790 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 57.16 57.29 3a6p n GLU 790 Cb 0.13 -1.56 0.04 0.00 0.00 0.00 0.00 31.44 30.06 3a6p n GLU 790 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3a6p h MET 791 N 0.00 0.00 0.00 3.44 2.86 -1.77 -2.66 114.93 116.80 3a6p h MET 791 Ca -0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3a6p h MET 791 Cb 2.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.84 3a6p h MET 791 CO 0.02 0.35 0.00 -0.11 1.06 0.00 0.00 176.91 178.23 3a6p n LEU 792 N -3.13 0.00 -0.15 1.22 7.94 0.14 -2.22 117.00 120.80 3a6p n LEU 792 Ca 0.01 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.95 3a6p n LEU 792 Cb 0.69 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.63 3a6p n LEU 792 CO 0.39 0.00 0.15 0.00 -1.11 0.00 0.00 177.39 176.82 3a6p n ALA 793 N -0.80 2.86 0.66 1.96 0.00 -1.00 -4.58 120.51 119.61 3a6p n ALA 793 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 3a6p n ALA 793 Cb 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 19.21 3a6p n ALA 793 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a6p n LYS 794 N -0.50 1.47 -4.43 0.00 5.02 -0.94 -4.82 118.16 113.95 3a6p n LYS 794 Ca 0.03 -0.52 -0.25 0.00 -2.02 0.00 0.00 58.31 55.55 3a6p n LYS 794 Cb 0.18 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 3a6p n LYS 794 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3a6p s MET 795 N -0.99 1.54 0.70 1.97 -1.94 -1.26 -4.67 119.30 114.65 3a6p s MET 795 Ca 0.09 -1.60 -0.10 0.00 -1.71 0.00 0.00 55.69 52.37 3a6p s MET 795 Cb 0.07 -1.73 0.03 0.00 2.01 0.00 0.00 34.83 35.21 3a6p s MET 795 CO 0.02 0.35 1.07 0.00 -0.01 0.00 0.00 175.02 176.45 3a6p s ALA 796 N -2.06 2.95 0.12 3.03 0.00 -1.26 -4.79 121.76 119.75 3a6p s ALA 796 Ca 0.23 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 3a6p s ALA 796 Cb -0.06 -2.91 0.08 0.00 0.00 0.00 0.00 23.12 20.24 3a6p s ALA 796 CO 0.11 -1.16 0.86 0.39 0.00 0.00 0.00 175.76 175.96 3a6p n GLU 797 N -2.97 -0.16 -0.27 0.00 4.71 -1.26 -0.67 120.64 120.02 3a6p n GLU 797 Ca 0.07 0.85 -0.02 0.00 -0.01 0.00 0.00 57.16 58.05 3a6p n GLU 797 Cb 0.58 -1.26 0.08 0.00 -1.01 0.00 0.00 31.44 29.83 3a6p n GLU 797 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3a6p n PRO 798 N -4.79 1.71 0.00 3.49 -0.05 -1.26 -4.24 135.00 129.86 3a6p n PRO 798 Ca 0.04 -0.79 0.00 0.00 -0.05 0.00 0.00 63.50 62.71 3a6p n PRO 798 Cb 0.20 -1.53 0.00 0.00 -0.05 0.00 0.00 33.50 32.12 3a6p n PRO 798 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3a6p n PHE 799 N 0.13 0.00 -0.73 0.54 3.72 0.15 -4.77 117.46 116.50 3a6p n PHE 799 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.42 3a6p n PHE 799 Cb 0.62 0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 39.06 3a6p n PHE 799 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3a6p n THR 800 N 0.00 2.26 -0.36 4.37 -2.24 -1.24 -1.08 114.28 115.99 3a6p n THR 800 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 3a6p n THR 800 Cb 0.18 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 3a6p n THR 800 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3a6p n LYS 801 N 2.45 0.78 -0.50 -0.78 3.00 -1.26 -4.92 118.16 116.92 3a6p n LYS 801 Ca 0.29 0.00 0.41 0.00 -0.00 0.00 0.00 58.31 59.01 3a6p n LYS 801 Cb 0.68 -0.06 0.70 0.00 0.00 0.00 0.00 35.03 36.34 3a6p n LYS 801 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a6p h ALA 802 N 0.00 3.01 0.00 3.14 0.00 -1.41 -0.20 119.26 123.80 3a6p h ALA 802 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3a6p h ALA 802 Cb 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a6p h ALA 802 CO 0.00 -1.63 -0.52 -0.07 0.00 0.00 0.00 179.25 177.02 3a6p h LEU 803 N 0.04 0.00-10.27 0.00 4.07 -1.91 -3.35 115.31 103.88 3a6p h LEU 803 Ca 0.85 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 58.29 3a6p h LEU 803 Cb 2.88 0.00 0.17 0.00 1.08 0.00 0.00 40.66 44.78 3a6p h LEU 803 CO -0.34 0.13 0.28 -1.81 -1.08 0.00 0.00 178.44 175.62 3a6p s ASP 804 N -5.94 3.68 1.14 -0.43 1.01 -0.09 -4.99 116.67 111.06 3a6p s ASP 804 Ca 0.03 2.07 -0.15 0.00 0.71 0.00 0.00 52.55 55.21 3a6p s ASP 804 Cb 0.07 -2.55 0.23 0.00 1.01 0.00 0.00 42.92 41.68 3a6p s ASP 804 CO 0.73 -2.59 0.53 0.23 0.21 0.00 0.00 175.17 174.28 3a6p n MET 805 N -3.77 -2.71 -4.40 8.23 2.81 -1.26 -4.96 117.12 111.06 3a6p n MET 805 Ca 0.11 -0.89 -0.28 0.00 -1.81 0.00 0.00 57.70 54.83 3a6p n MET 805 Cb 0.52 -1.38 -0.12 0.00 -0.71 0.00 0.00 33.22 31.53 3a6p n MET 805 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 3a6p s LEU 806 N 0.00 2.44 0.50 4.03 2.34 -1.26 -4.99 118.68 121.74 3a6p s LEU 806 Ca 0.41 -0.81 0.24 0.00 0.06 0.00 0.00 54.13 54.03 3a6p s LEU 806 Cb -0.07 -1.23 1.32 0.00 -0.56 0.00 0.00 46.19 45.65 3a6p s LEU 806 CO 0.34 0.14 1.94 -2.24 -1.06 0.00 0.00 176.35 175.47 3a6p h ASP 807 N 3.39 0.12 -0.23 1.48 2.03 -1.97 0.54 116.42 121.78 3a6p h ASP 807 Ca -0.48 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 55.81 3a6p h ASP 807 Cb 1.20 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 3a6p h ASP 807 CO 0.46 0.06 0.06 0.00 -1.03 0.00 0.00 179.24 178.78 3a6p h ALA 808 N 1.66 0.30 -0.14 4.15 0.00 -1.99 0.51 119.26 123.77 3a6p h ALA 808 Ca 0.34 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3a6p h ALA 808 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a6p h ALA 808 CO -0.04 -0.05 -0.69 0.93 0.00 0.00 0.00 179.25 179.40 3a6p h GLU 809 N 0.19 0.58 0.35 0.00 5.08 -0.81 -1.35 114.58 118.62 3a6p h GLU 809 Ca 0.07 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3a6p h GLU 809 Cb 0.28 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3a6p h GLU 809 CO 0.00 1.06 -0.17 0.87 -1.00 0.00 0.00 179.01 179.77 3a6p h LYS 810 N 0.41 -0.46 -0.95 2.33 1.57 -0.07 -2.34 116.57 117.07 3a6p h LYS 810 Ca -0.02 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3a6p h LYS 810 Cb 1.27 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 3a6p h LYS 810 CO 0.13 -0.23 0.63 0.77 -0.57 0.00 0.00 179.45 180.18 3a6p h SER 811 N -0.60 1.08 -0.85 0.86 0.02 -0.94 -1.72 113.55 111.39 3a6p h SER 811 Ca -0.05 -0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.09 3a6p h SER 811 Cb 0.44 -0.27 -0.15 0.00 0.14 0.00 0.00 62.40 62.57 3a6p h SER 811 CO 0.08 0.77 0.05 0.00 -1.14 0.00 0.00 176.83 176.59 3a6p h ALA 812 N 1.42 0.98 -0.01 3.77 0.00 -1.01 0.27 119.26 124.67 3a6p h ALA 812 Ca 0.35 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3a6p h ALA 812 Cb -0.12 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a6p h ALA 812 CO -0.08 -0.47 -0.23 0.44 0.00 0.00 0.00 179.25 178.91 3a6p n ILE 813 N -5.37 0.00 0.01 0.00 -5.35 -0.73 -4.18 119.36 103.75 3a6p n ILE 813 Ca 0.18 -0.09 -0.02 0.00 -0.27 0.00 0.00 62.75 62.55 3a6p n ILE 813 Cb 0.59 0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 38.70 3a6p n ILE 813 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3a6p h LEU 814 N 0.88 -0.09 0.00 7.28 3.38 0.33 -3.49 115.31 123.59 3a6p h LEU 814 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 814 Cb 0.46 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a6p h LEU 814 CO 0.00 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.37 3a6p n GLY 815 N 1.48 0.32 3.49 0.83 0.00 -0.98 -5.11 105.19 105.21 3a6p n GLY 815 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3a6p n GLY 815 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3a6p s LEU 816 N 0.00 4.81 0.00 0.99 0.05 -1.25 -5.09 118.68 118.18 3a6p s LEU 816 Ca 0.00 -0.63 -0.02 0.00 0.05 0.00 0.00 54.13 53.52 3a6p s LEU 816 Cb 0.00 -2.47 0.04 0.00 -2.05 0.00 0.00 46.19 41.71 3a6p s LEU 816 CO 0.00 -0.66 0.09 -2.65 -0.55 0.00 0.00 176.35 172.59 3a6p n PRO 817 N 5.79 -2.12 -3.97 1.48 -0.02 -1.26 -4.75 135.00 130.15 3a6p n PRO 817 Ca -0.06 -0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.17 3a6p n PRO 817 Cb 0.47 -0.19 -0.07 0.00 -0.02 0.00 0.00 33.50 33.70 3a6p n PRO 817 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a6p s GLN 818 N -3.21 1.19 -1.46 -0.52 -1.52 -1.26 -5.09 119.66 107.79 3a6p s GLN 818 Ca 0.07 -1.19 -0.12 0.00 -1.95 0.00 0.00 55.36 52.17 3a6p s GLN 818 Cb -0.01 0.38 0.04 0.00 -0.22 0.00 0.00 33.01 33.20 3a6p s GLN 818 CO 0.06 -0.44 2.31 -0.35 -0.25 0.00 0.00 175.29 176.62 3a6p n PRO 819 N -0.23 3.21 -0.01 2.91 -0.04 -1.26 -4.96 135.00 134.62 3a6p n PRO 819 Ca -0.07 -2.72 -0.00 0.00 -0.04 0.00 0.00 63.50 60.67 3a6p n PRO 819 Cb 0.63 -3.11 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 3a6p n PRO 819 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a6p n LEU 820 N 5.08 0.00 -2.70 1.53 4.32 -1.26 -4.69 117.00 119.29 3a6p n LEU 820 Ca 0.55 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 56.19 3a6p n LEU 820 Cb 0.35 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.09 3a6p n LEU 820 CO 0.87 -0.00 0.38 0.18 -1.22 0.00 0.00 177.39 177.59 3a6p n LEU 821 N 0.07 0.07 -4.63 2.23 4.77 -1.26 -4.72 117.00 113.53 3a6p n LEU 821 Ca 0.00 0.69 -0.49 0.00 -0.03 0.00 0.00 56.01 56.19 3a6p n LEU 821 Cb 0.00 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 3a6p n LEU 821 CO 0.01 -1.07 1.02 1.21 -1.33 0.00 0.00 177.39 177.22 3a6p n GLU 822 N 1.05 1.61 -0.13 3.23 4.07 -1.26 -4.84 120.64 124.37 3a6p n GLU 822 Ca 0.13 0.58 0.26 0.00 -0.06 0.00 0.00 57.16 58.06 3a6p n GLU 822 Cb 0.04 -2.27 0.70 0.00 -0.06 0.00 0.00 31.44 29.85 3a6p n GLU 822 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3a6p h LEU 823 N 5.04 0.03 -5.55 4.31 3.38 -2.00 -1.09 115.31 119.42 3a6p h LEU 823 Ca -0.46 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.82 3a6p h LEU 823 Cb 1.30 -0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.70 3a6p h LEU 823 CO 0.82 0.01 0.17 0.59 0.09 0.00 0.00 178.44 180.12 3a6p n ASN 824 N -4.31 5.94 -3.71 -0.43 3.02 -1.26 -1.83 115.26 112.68 3a6p n ASN 824 Ca 0.16 -3.71 -0.12 0.00 -0.03 0.00 0.00 54.58 50.88 3a6p n ASN 824 Cb 0.85 -0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 3a6p n ASN 824 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3a6p s ASP 825 N -2.41 -0.49 -0.53 6.41 1.01 -0.41 -4.74 116.67 115.50 3a6p s ASP 825 Ca 0.45 0.89 0.07 0.00 0.71 0.00 0.00 52.55 54.68 3a6p s ASP 825 Cb 0.27 0.84 0.30 0.00 1.01 0.00 0.00 42.92 45.35 3a6p s ASP 825 CO -0.17 -0.17 0.78 -1.20 0.21 0.00 0.00 175.17 174.62 3a6p n SER 826 N 3.51 2.96 0.01 0.27 7.64 -1.26 -4.00 113.62 122.75 3a6p n SER 826 Ca -0.18 -3.34 -0.02 0.00 1.01 0.00 0.00 58.87 56.33 3a6p n SER 826 Cb 0.56 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 3a6p n SER 826 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3a6p n PRO 827 N 0.43 0.63 -1.30 1.43 -0.05 -1.26 -4.49 135.00 130.39 3a6p n PRO 827 Ca 0.28 0.21 -0.31 0.00 -0.05 0.00 0.00 63.50 63.64 3a6p n PRO 827 Cb 0.47 -1.78 -0.07 0.00 -0.05 0.00 0.00 33.50 32.07 3a6p n PRO 827 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3a6p n VAL 828 N -2.90 3.99 -1.67 0.52 0.31 -1.26 -4.93 118.33 112.40 3a6p n VAL 828 Ca -0.13 -2.48 -0.47 0.00 -0.01 0.00 0.00 64.34 61.26 3a6p n VAL 828 Cb 0.90 -2.33 -0.04 0.00 -0.91 0.00 0.00 33.84 31.46 3a6p n VAL 828 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a6p n PHE 829 N 2.92 2.25 -2.37 3.52 3.01 -1.26 -4.88 117.46 120.65 3a6p n PHE 829 Ca 0.65 0.24 -0.42 0.00 1.01 0.00 0.00 57.45 58.93 3a6p n PHE 829 Cb 0.45 -2.55 -0.03 0.00 -0.01 0.00 0.00 39.48 37.34 3a6p n PHE 829 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3a6p s LYS 830 N 1.40 4.34 0.64 -1.08 -0.14 -1.26 -5.00 119.74 118.63 3a6p s LYS 830 Ca 0.81 1.79 -0.17 0.00 -1.36 0.00 0.00 55.97 57.04 3a6p s LYS 830 Cb -0.70 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 31.87 3a6p s LYS 830 CO 0.41 -0.46 0.67 2.41 -0.76 0.00 0.00 175.35 177.61 3a6p n THR 831 N 4.53 2.56 -0.30 2.17 -1.04 -1.26 -4.68 114.28 116.26 3a6p n THR 831 Ca 0.11 -0.46 0.23 0.00 -2.04 0.00 0.00 64.05 61.90 3a6p n THR 831 Cb 0.45 -0.85 0.54 0.00 -1.82 0.00 0.00 70.33 68.66 3a6p n THR 831 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3a6p h VAL 832 N 0.07 0.55 -0.14 12.58 3.04 -1.98 0.38 116.25 130.75 3a6p h VAL 832 Ca -0.46 -0.12 -0.17 0.00 -1.01 0.00 0.00 66.70 64.94 3a6p h VAL 832 Cb 1.37 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 3a6p h VAL 832 CO 0.47 0.06 -0.58 0.25 -1.01 0.00 0.00 177.57 176.76 3a6p h LEU 833 N 0.34 0.75 -1.17 3.16 5.85 -1.90 -2.52 115.31 119.82 3a6p h LEU 833 Ca 0.55 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3a6p h LEU 833 Cb 1.51 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3a6p h LEU 833 CO -0.22 1.25 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.57 3a6p h GLU 834 N 0.31 0.30 -0.39 1.25 4.39 -1.69 0.44 114.58 119.19 3a6p h GLU 834 Ca -0.03 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3a6p h GLU 834 Cb 1.21 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 3a6p h GLU 834 CO 0.12 0.51 0.08 -0.09 -1.16 0.00 0.00 179.01 178.47 3a6p h ARG 835 N 0.27 0.64 -0.06 2.33 9.65 -0.23 -1.82 114.38 125.15 3a6p h ARG 835 Ca 0.05 -0.16 -0.19 0.00 -1.10 0.00 0.00 59.98 58.58 3a6p h ARG 835 Cb 0.55 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3a6p h ARG 835 CO 0.04 0.68 -0.75 0.52 2.80 0.00 0.00 179.97 183.25 3a6p h MET 836 N 0.49 0.37 -0.71 0.20 2.86 -1.22 -3.02 114.93 113.90 3a6p h MET 836 Ca 0.12 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3a6p h MET 836 Cb 0.34 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3a6p h MET 836 CO 0.00 0.96 0.45 0.37 1.06 0.00 0.00 176.91 179.76 3a6p h GLN 837 N 0.25 0.87 -0.36 1.72 4.15 -0.75 -0.30 115.11 120.69 3a6p h GLN 837 Ca -0.03 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 3a6p h GLN 837 Cb 1.33 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 3a6p h GLN 837 CO 0.13 0.58 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.38 3a6p h ARG 838 N 0.90 0.65 0.57 1.69 9.65 -1.35 -3.17 114.38 123.33 3a6p h ARG 838 Ca 0.28 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3a6p h ARG 838 Cb -0.02 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.51 3a6p h ARG 838 CO -0.09 0.77 -0.27 0.35 2.80 0.00 0.00 179.97 183.52 3a6p h PHE 839 N 0.59 -0.71 0.04 2.20 3.57 -0.95 -2.69 116.94 118.99 3a6p h PHE 839 Ca 0.10 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3a6p h PHE 839 Cb 0.58 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 3a6p h PHE 839 CO 0.02 -0.41 -0.06 0.74 -2.23 0.00 0.00 178.31 176.37 3a6p h PHE 840 N -0.85 -0.15 -0.75 0.41 -1.00 -1.39 0.11 116.94 113.31 3a6p h PHE 840 Ca -0.08 0.00 0.17 0.00 2.81 0.00 0.00 57.97 60.87 3a6p h PHE 840 Cb 0.62 0.06 -0.13 0.00 3.61 0.00 0.00 35.95 40.12 3a6p h PHE 840 CO -0.02 -0.10 0.03 0.77 -1.61 0.00 0.00 178.31 177.39 3a6p h SER 841 N -0.13 -0.29 -0.01 2.17 0.02 -1.56 0.21 113.55 113.97 3a6p h SER 841 Ca 0.01 0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3a6p h SER 841 Cb 0.14 0.32 0.01 0.00 0.14 0.00 0.00 62.40 63.00 3a6p h SER 841 CO -0.04 -0.16 -0.44 0.74 -1.14 0.00 0.00 176.83 175.79 3a6p h THR 842 N 0.12 1.47 -0.08 -2.27 2.02 -1.09 -2.04 112.91 111.04 3a6p h THR 842 Ca 0.41 -1.99 0.02 0.00 0.77 0.00 0.00 66.41 65.62 3a6p h THR 842 Cb 0.73 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 3a6p h THR 842 CO -0.64 0.57 -0.04 0.25 0.37 0.00 0.00 175.52 176.02 3a6p h LEU 843 N -0.25 -0.14 -0.13 2.58 5.85 -0.10 0.15 115.31 123.27 3a6p h LEU 843 Ca -0.05 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3a6p h LEU 843 Cb 1.16 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3a6p h LEU 843 CO 0.09 -0.06 -0.45 0.22 -0.34 0.00 0.00 178.44 177.90 3a6p h TYR 844 N -0.04 -1.34 -0.99 1.25 3.20 -0.64 -1.29 116.97 117.11 3a6p h TYR 844 Ca 0.05 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3a6p h TYR 844 Cb 0.11 0.60 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 3a6p h TYR 844 CO -0.16 -0.45 0.65 0.93 -1.64 0.00 0.00 178.16 177.50 3a6p h GLU 845 N -0.47 1.23 -0.46 1.82 5.08 -1.00 -2.94 114.58 117.84 3a6p h GLU 845 Ca 0.03 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3a6p h GLU 845 Cb 0.55 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3a6p h GLU 845 CO -0.37 0.81 -0.21 -0.91 -1.00 0.00 0.00 179.01 177.33 3a6p h ASN 846 N 1.27 0.97 -0.72 1.42 4.21 -0.44 -0.18 115.58 122.11 3a6p h ASN 846 Ca 0.39 -0.36 0.03 0.00 1.21 0.00 0.00 56.30 57.57 3a6p h ASN 846 Cb -0.02 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 36.87 3a6p h ASN 846 CO -0.12 1.14 0.46 0.00 -1.29 0.00 0.00 177.43 177.62 3a6p h PHE 848 N 0.91 0.00 -0.03 0.00 -1.00 -1.28 -2.60 116.94 112.94 3a6p h PHE 848 Ca 0.28 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.82 3a6p h PHE 848 Cb -0.01 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.56 3a6p h PHE 848 CO -0.04 0.00 -0.95 1.25 -1.61 0.00 0.00 178.31 176.97 3a6p h HIS 849 N 0.00 0.87 -0.42 -0.55 2.76 0.18 0.33 115.15 118.32 3a6p h HIS 849 Ca 0.00 -0.45 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 3a6p h HIS 849 Cb 0.68 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3a6p h HIS 849 CO 0.00 1.28 0.27 0.82 -1.30 0.00 0.00 177.93 179.00 3a6p h ILE 850 N 0.35 1.12 -0.31 6.26 2.04 -0.88 -0.29 117.51 125.81 3a6p h ILE 850 Ca -0.09 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 3a6p h ILE 850 Cb 1.58 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3a6p h ILE 850 CO 0.18 0.12 -0.33 -0.07 0.00 0.00 0.00 178.15 178.04 3a6p h LEU 851 N 0.57 0.71 -0.33 1.44 3.38 -1.30 -0.09 115.31 119.69 3a6p h LEU 851 Ca 0.15 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.90 3a6p h LEU 851 Cb -0.04 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.43 3a6p h LEU 851 CO -0.03 0.98 -0.24 1.23 0.09 0.00 0.00 178.44 180.47 3a6p h GLY 852 N 0.98 -0.08 1.38 0.83 0.00 0.22 -2.63 103.07 103.77 3a6p h GLY 852 Ca 0.06 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3a6p h GLY 852 CO 0.07 -0.20 -0.13 0.28 0.00 0.00 0.00 176.54 176.56 3a6p n LYS 853 N -5.39 0.29 -0.06 4.80 4.76 -0.17 -3.93 118.16 118.47 3a6p n LYS 853 Ca 0.01 -0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 3a6p n LYS 853 Cb 0.30 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.94 3a6p n LYS 853 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a6p h ALA 854 N 3.26 0.24 -0.26 7.82 0.00 -0.63 -1.18 119.26 128.51 3a6p h ALA 854 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a6p h ALA 854 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a6p h ALA 854 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3a6p n GLY 855 N -0.44 -2.82 0.32 0.00 0.00 -1.25 -1.40 105.19 99.60 3a6p n GLY 855 Ca -0.05 0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.41 3a6p n GLY 855 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a6p h PRO 856 N 0.00 0.00 0.11 1.61 0.13 -1.76 1.10 132.00 133.18 3a6p h PRO 856 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3a6p h PRO 856 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3a6p h PRO 856 CO 0.00 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.09 3a6p h SER 857 N 0.00 0.37 0.00 1.44 0.87 -1.19 -3.40 113.55 111.64 3a6p h SER 857 Ca 0.08 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 3a6p h SER 857 Cb 0.37 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3a6p h SER 857 CO -0.00 1.34 -1.55 0.23 -0.53 0.00 0.00 176.83 176.32 3a6p n MET 858 N -4.20 0.74 0.00 2.24 2.81 -0.49 -4.64 117.12 113.58 3a6p n MET 858 Ca -0.14 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 3a6p n MET 858 Cb 0.76 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 3a6p n MET 858 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3a6p n GLN 859 N -1.93 0.00 0.21 0.03 1.13 0.37 -1.79 117.38 115.40 3a6p n GLN 859 Ca -0.02 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.22 3a6p n GLN 859 Cb 0.39 0.00 0.83 0.00 0.11 0.00 0.00 30.24 31.57 3a6p n GLN 859 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3a6p h GLN 860 N 0.00 0.00 0.00 -1.09 7.50 -1.91 0.12 115.11 119.73 3a6p h GLN 860 Ca 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 3a6p h GLN 860 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 3a6p h GLN 860 CO 0.00 0.00 -0.29 -0.44 -1.50 0.00 0.00 178.83 176.60 3a6p h ASP 861 N 0.00 0.00 0.06 1.46 3.32 -1.73 -1.68 116.42 117.85 3a6p h ASP 861 Ca 0.09 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.76 3a6p h ASP 861 Cb 0.52 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 3a6p h ASP 861 CO -0.00 0.29 -2.27 0.33 -1.72 0.00 0.00 179.24 175.88 3a6p n PHE 862 N -3.96 0.56 0.17 4.55 7.35 0.27 -4.40 117.46 122.00 3a6p n PHE 862 Ca -0.02 0.12 0.05 0.00 -0.76 0.00 0.00 57.45 56.84 3a6p n PHE 862 Cb 0.36 -1.07 0.20 0.00 0.35 0.00 0.00 39.48 39.31 3a6p n PHE 862 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3a6p h TYR 863 N 0.03 0.00 -0.69 -5.13 -1.99 -0.96 -3.01 116.97 105.22 3a6p h TYR 863 Ca -0.51 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 59.90 3a6p h TYR 863 Cb 1.96 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 40.50 3a6p h TYR 863 CO 0.05 0.40 0.41 0.25 -0.00 0.00 0.00 178.16 179.27 3a6p n THR 864 N -3.33 2.53 -2.43 -2.88 -2.24 -0.65 -4.86 114.28 100.42 3a6p n THR 864 Ca 0.01 -1.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 3a6p n THR 864 Cb 0.61 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 3a6p n THR 864 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a6p s VAL 865 N -2.41 4.12 -0.34 2.28 1.01 -1.14 -4.88 120.40 119.04 3a6p s VAL 865 Ca 0.42 1.50 -0.32 0.00 0.00 0.00 0.00 61.98 63.58 3a6p s VAL 865 Cb 0.35 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3a6p s VAL 865 CO 0.09 0.06 1.25 -0.62 0.00 0.00 0.00 175.10 175.88 3a6p n GLU 866 N 4.54 0.00 -3.92 2.72 -0.58 -1.26 -0.19 120.64 121.95 3a6p n GLU 866 Ca 0.10 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.54 3a6p n GLU 866 Cb 0.46 -1.03 0.02 0.00 -0.57 0.00 0.00 31.44 30.32 3a6p n GLU 866 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3a6p n ASP 867 N 3.75 -4.56 0.05 1.62 8.00 -1.26 -4.84 116.55 119.31 3a6p n ASP 867 Ca 0.28 -0.79 -0.13 0.00 0.71 0.00 0.00 54.79 54.86 3a6p n ASP 867 Cb -0.04 -3.84 -0.07 0.00 -0.02 0.00 0.00 41.12 37.16 3a6p n ASP 867 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a6p h LEU 868 N -2.06 -1.29 -0.90 0.64 6.46 -0.91 -1.27 115.31 115.98 3a6p h LEU 868 Ca -0.58 0.16 0.20 0.00 -0.12 0.00 0.00 57.88 57.54 3a6p h LEU 868 Cb 1.38 0.51 -0.11 0.00 -0.73 0.00 0.00 40.66 41.70 3a6p h LEU 868 CO 0.67 -0.45 0.45 0.00 -0.62 0.00 0.00 178.44 178.49 3a6p h ALA 869 N -0.01 1.45 -0.38 1.25 0.00 -1.84 0.33 119.26 120.06 3a6p h ALA 869 Ca 0.05 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3a6p h ALA 869 Cb 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3a6p h ALA 869 CO -0.33 -0.24 -0.27 1.15 0.00 0.00 0.00 179.25 179.56 3a6p h THR 870 N 0.51 1.28 -0.20 0.00 2.02 -1.76 0.57 112.91 115.33 3a6p h THR 870 Ca 0.54 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3a6p h THR 870 Cb 0.95 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3a6p h THR 870 CO -0.46 0.48 0.10 1.56 0.37 0.00 0.00 175.52 177.57 3a6p h GLN 871 N 0.67 0.28 -0.05 6.66 4.20 0.20 -1.13 115.11 125.94 3a6p h GLN 871 Ca 0.08 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3a6p h GLN 871 Cb 0.84 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3a6p h GLN 871 CO 0.07 0.28 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.34 3a6p h LEU 872 N 0.21 -0.31 -0.80 1.46 3.38 -0.25 -2.79 115.31 116.20 3a6p h LEU 872 Ca 0.07 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3a6p h LEU 872 Cb 0.09 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3a6p h LEU 872 CO -0.01 -0.15 0.50 -0.07 0.09 0.00 0.00 178.44 178.81 3a6p h LEU 873 N -0.15 0.81 -0.20 1.67 3.38 -0.70 0.11 115.31 120.22 3a6p h LEU 873 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a6p h LEU 873 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3a6p h LEU 873 CO -0.14 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.39 3a6p n SER 874 N -4.63 0.31 0.05 -0.43 3.41 -0.44 -3.44 113.62 108.45 3a6p n SER 874 Ca 0.10 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 3a6p n SER 874 Cb 0.13 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3a6p n SER 874 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3a6p n SER 875 N -0.72 0.37 -0.01 4.04 7.64 -0.76 -4.65 113.62 119.53 3a6p n SER 875 Ca 0.21 0.17 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 3a6p n SER 875 Cb 0.15 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.24 3a6p n SER 875 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a6p h ALA 876 N 0.00 0.04 -0.99 -0.43 0.00 -1.02 -3.26 119.26 113.61 3a6p h ALA 876 Ca 0.00 -0.18 -0.74 0.00 0.00 0.00 0.00 54.91 53.99 3a6p h ALA 876 Cb 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.51 3a6p h ALA 876 CO 0.00 -0.27 1.00 1.19 0.00 0.00 0.00 179.25 181.17 3a6p n PHE 877 N -4.88 3.00 0.05 0.00 3.01 -1.07 -4.70 117.46 112.86 3a6p n PHE 877 Ca -0.08 -2.48 0.01 0.00 1.01 0.00 0.00 57.45 55.91 3a6p n PHE 877 Cb 0.20 -1.26 -0.06 0.00 -0.01 0.00 0.00 39.48 38.35 3a6p n PHE 877 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3a6p h VAL 878 N 1.75 0.55 0.00 -4.37 3.04 -1.62 -3.41 116.25 112.20 3a6p h VAL 878 Ca 0.57 -2.01 -0.17 0.00 -1.01 0.00 0.00 66.70 64.09 3a6p h VAL 878 Cb 0.23 2.08 -0.36 0.00 -2.01 0.00 0.00 31.29 31.23 3a6p h VAL 878 CO 1.46 0.31 -1.00 -3.20 -1.01 0.00 0.00 177.57 174.14 3a6p n ASN 879 N -2.94 0.91 -0.23 3.17 4.05 -1.26 -4.95 115.26 114.01 3a6p n ASN 879 Ca -0.07 -2.00 0.23 0.00 0.45 0.00 0.00 54.58 53.19 3a6p n ASN 879 Cb 0.81 -0.28 0.59 0.00 1.23 0.00 0.00 39.78 42.13 3a6p n ASN 879 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3a6p h LEU 880 N 0.92 0.26 -1.95 1.20 3.38 -1.91 0.53 115.31 117.74 3a6p h LEU 880 Ca -0.22 0.03 0.19 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 880 Cb 1.86 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 3a6p h LEU 880 CO 0.09 0.09 0.56 0.78 0.09 0.00 0.00 178.44 180.05 3a6p h ASN 881 N 0.25 0.00 -0.01 -0.43 2.35 -1.96 -2.73 115.58 113.05 3a6p h ASN 881 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3a6p h ASN 881 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 3a6p h ASN 881 CO -0.13 0.00 -0.11 0.59 -1.65 0.00 0.00 177.43 176.14 3a6p n ASN 882 N -3.98 1.45 -4.72 5.81 5.03 0.19 -4.99 115.26 114.04 3a6p n ASN 882 Ca 0.13 -1.23 -0.41 0.00 0.87 0.00 0.00 54.58 53.95 3a6p n ASN 882 Cb 0.80 0.26 -0.04 0.00 -1.02 0.00 0.00 39.78 39.79 3a6p n ASN 882 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3a6p s ILE 883 N -1.09 4.82 0.95 2.41 -1.09 -1.03 -4.72 121.20 121.45 3a6p s ILE 883 Ca 0.09 1.78 -0.12 0.00 -2.23 0.00 0.00 60.65 60.18 3a6p s ILE 883 Cb 0.08 -4.19 0.16 0.00 -1.58 0.00 0.00 42.46 36.92 3a6p s ILE 883 CO 0.19 0.26 1.09 -2.84 -1.23 0.00 0.00 174.94 172.41 3a6p s PRO 884 N 0.52 0.85 0.10 2.79 0.02 -1.26 -4.90 135.00 133.11 3a6p s PRO 884 Ca 0.44 0.81 -0.22 0.00 0.02 0.00 0.00 61.00 62.05 3a6p s PRO 884 Cb -0.20 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 3a6p s PRO 884 CO 0.24 -2.52 1.74 -0.44 -0.33 0.00 0.00 177.00 175.69 3a6p h ASP 885 N -1.75 0.11 0.00 2.53 3.32 -1.98 -2.74 116.42 115.91 3a6p h ASP 885 Ca -0.51 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3a6p h ASP 885 Cb 1.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3a6p h ASP 885 CO 0.54 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.15 3a6p n TYR 886 N -5.01 0.00 -0.03 4.55 0.18 -1.26 -1.42 117.16 114.16 3a6p n TYR 886 Ca -0.05 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.69 3a6p n TYR 886 Cb 0.04 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.96 3a6p n TYR 886 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3a6p n ARG 887 N -0.86 1.53 0.08 -3.48 5.12 -1.07 -4.48 116.66 113.51 3a6p n ARG 887 Ca 0.04 0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 3a6p n ARG 887 Cb 0.02 -1.15 -0.12 0.00 -1.16 0.00 0.00 32.46 30.05 3a6p n ARG 887 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3a6p h LEU 888 N 0.00 0.87 0.35 0.55 5.85 -1.08 -1.57 115.31 120.28 3a6p h LEU 888 Ca -0.17 -0.78 -0.00 0.00 0.84 0.00 0.00 57.88 57.77 3a6p h LEU 888 Cb 1.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3a6p h LEU 888 CO -0.01 1.59 -0.37 -0.09 -0.34 0.00 0.00 178.44 179.22 3a6p h ARG 889 N 0.30 -0.72 -0.87 1.25 2.43 -1.49 0.10 114.38 115.38 3a6p h ARG 889 Ca -0.17 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.22 3a6p h ARG 889 Cb 1.87 0.16 -0.16 0.00 -0.42 0.00 0.00 29.97 31.42 3a6p h ARG 889 CO 0.23 -0.48 -0.19 -1.35 -1.51 0.00 0.00 179.97 176.68 3a6p h PRO 890 N -0.75 0.01 -0.74 0.20 0.11 -1.78 -2.29 132.00 126.76 3a6p h PRO 890 Ca -0.02 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3a6p h PRO 890 Cb 0.68 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 3a6p h PRO 890 CO -0.07 0.00 0.31 1.98 -0.21 0.00 0.00 178.00 180.01 3a6p h MET 891 N 0.01 1.10 -0.54 1.05 1.85 0.16 -1.41 114.93 117.14 3a6p h MET 891 Ca 0.43 -0.19 -0.12 0.00 -0.61 0.00 0.00 59.70 59.21 3a6p h MET 891 Cb 0.68 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 3a6p h MET 891 CO -0.88 0.89 -0.12 -0.07 -0.40 0.00 0.00 176.91 176.34 3a6p h LEU 892 N 1.06 1.03 0.03 3.39 3.38 -0.41 -1.91 115.31 121.89 3a6p h LEU 892 Ca 0.25 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3a6p h LEU 892 Cb 0.19 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3a6p h LEU 892 CO -0.02 1.14 -0.50 -0.09 0.09 0.00 0.00 178.44 179.07 3a6p h ARG 893 N 0.91 0.27 0.00 1.13 2.43 -1.13 0.11 114.38 118.11 3a6p h ARG 893 Ca 0.14 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 58.82 3a6p h ARG 893 Cb 0.69 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3a6p h ARG 893 CO 0.05 1.07 -0.91 0.28 -1.51 0.00 0.00 179.97 178.96 3a6p h VAL 894 N -0.37 0.86 0.00 0.20 2.07 -1.37 -3.39 116.25 114.25 3a6p h VAL 894 Ca -0.07 -2.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.07 3a6p h VAL 894 Cb 1.27 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 3a6p h VAL 894 CO 0.10 0.49 -0.93 0.33 0.02 0.00 0.00 177.57 177.58 3a6p n PHE 895 N -3.13 0.00 -0.02 1.57 7.35 -0.73 -3.82 117.46 118.69 3a6p n PHE 895 Ca -0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 3a6p n PHE 895 Cb 0.81 -0.15 -0.09 0.00 0.35 0.00 0.00 39.48 40.39 3a6p n PHE 895 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3a6p h VAL 896 N -0.19 1.20 -0.52 -2.13 2.07 -1.42 -0.32 116.25 114.94 3a6p h VAL 896 Ca -0.09 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 65.93 3a6p h VAL 896 Cb 0.81 2.14 -0.10 0.00 -1.52 0.00 0.00 31.29 32.62 3a6p h VAL 896 CO -0.05 0.36 -0.35 0.50 0.02 0.00 0.00 177.57 178.04 3a6p h LYS 897 N -0.87 -0.20 -0.01 1.57 3.64 -0.99 -1.10 116.57 118.61 3a6p h LYS 897 Ca -0.01 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3a6p h LYS 897 Cb 0.64 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3a6p h LYS 897 CO 0.01 -0.13 -0.72 -1.00 -2.27 0.00 0.00 179.45 175.34 3a6p h PRO 898 N -0.21 0.06 0.32 1.90 0.13 -1.75 -0.94 132.00 131.51 3a6p h PRO 898 Ca 0.20 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3a6p h PRO 898 Cb 0.55 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 3a6p h PRO 898 CO -0.63 0.76 -0.51 1.25 -0.23 0.00 0.00 178.00 178.63 3a6p h LEU 899 N 0.04 -1.47 0.53 1.56 6.46 -0.34 -1.83 115.31 120.26 3a6p h LEU 899 Ca -0.01 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3a6p h LEU 899 Cb 1.28 0.52 0.01 0.00 -0.73 0.00 0.00 40.66 41.73 3a6p h LEU 899 CO 0.10 -0.61 -0.25 0.58 -0.62 0.00 0.00 178.44 177.63 3a6p h VAL 900 N -0.88 0.38 -0.04 1.05 2.07 -1.23 -3.04 116.25 114.56 3a6p h VAL 900 Ca -0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3a6p h VAL 900 Cb 0.82 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3a6p h VAL 900 CO -0.17 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.49 3a6p h LEU 901 N -0.95 0.00 -2.82 2.57 3.38 -1.16 -0.28 115.31 116.04 3a6p h LEU 901 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a6p h LEU 901 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3a6p h LEU 901 CO 0.12 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.14 3a6p n PHE 902 N -3.38 0.96 -3.03 1.13 3.01 -0.69 -4.94 117.46 110.51 3a6p n PHE 902 Ca -0.02 -0.52 -0.40 0.00 1.01 0.00 0.00 57.45 57.52 3a6p n PHE 902 Cb 0.17 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.56 3a6p n PHE 902 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a6p n PRO 904 N 4.71 2.65 -0.33 0.00 -0.04 -1.26 -4.86 135.00 135.87 3a6p n PRO 904 Ca 0.00 0.93 0.20 0.00 -0.04 0.00 0.00 63.50 64.60 3a6p n PRO 904 Cb 0.50 -2.68 0.42 0.00 -0.04 0.00 0.00 33.50 31.70 3a6p n PRO 904 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3a6p h PRO 905 N 3.68 0.38 -0.50 0.54 0.11 -1.99 0.98 132.00 135.19 3a6p h PRO 905 Ca -0.49 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.74 3a6p h PRO 905 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3a6p h PRO 905 CO 0.70 0.25 0.62 0.93 -0.21 0.00 0.00 178.00 180.30 3a6p h GLU 906 N 0.39 0.00 -0.01 1.05 3.07 -2.05 -0.77 114.58 116.27 3a6p h GLU 906 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 3a6p h GLU 906 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3a6p h GLU 906 CO -0.57 0.00 -0.08 0.72 -1.40 0.00 0.00 179.01 177.68 3a6p n HIS 907 N -3.49 0.00 0.06 4.33 8.25 0.33 -4.37 115.22 120.33 3a6p n HIS 907 Ca 0.10 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.66 3a6p n HIS 907 Cb 0.81 0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.47 3a6p n HIS 907 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3a6p h TYR 908 N 1.44 0.25 0.00 4.41 0.99 -1.13 -0.89 116.97 122.05 3a6p h TYR 908 Ca 0.00 0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 3a6p h TYR 908 Cb 0.34 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.97 3a6p h TYR 908 CO 0.00 0.14 -0.77 0.93 -0.00 0.00 0.00 178.16 178.46 3a6p h GLU 909 N 0.26 0.00 0.09 4.88 4.39 -1.76 -0.55 114.58 121.88 3a6p h GLU 909 Ca 0.15 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.69 3a6p h GLU 909 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3a6p h GLU 909 CO -0.03 0.68 -0.78 0.00 -1.16 0.00 0.00 179.01 177.72 3a6p h ALA 910 N 1.29 0.03 0.00 3.43 0.00 -1.43 -3.41 119.26 119.16 3a6p h ALA 910 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3a6p h ALA 910 Cb 1.56 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3a6p h ALA 910 CO 0.09 0.41 -0.42 1.47 0.00 0.00 0.00 179.25 180.80 3a6p n LEU 911 N -4.23 0.00 -0.07 0.00 -0.00 -0.67 -4.71 117.00 107.31 3a6p n LEU 911 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.69 3a6p n LEU 911 Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.12 3a6p n LEU 911 CO 0.40 0.00 0.43 0.58 -0.00 0.00 0.00 177.39 178.80 3a6p h VAL 912 N 0.00 1.28 0.58 1.47 2.07 -1.53 -3.06 116.25 117.05 3a6p h VAL 912 Ca 0.00 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 3a6p h VAL 912 Cb 0.24 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3a6p h VAL 912 CO 0.00 0.57 -0.28 -1.28 0.02 0.00 0.00 177.57 176.60 3a6p h SER 913 N 0.66 -0.66 0.23 0.57 0.87 -1.33 -0.91 113.55 112.98 3a6p h SER 913 Ca 0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3a6p h SER 913 Cb 1.17 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3a6p h SER 913 CO 0.12 -0.30 0.00 -0.81 -0.53 0.00 0.00 176.83 175.31 3a6p n PRO 914 N -5.33 0.07 -0.12 2.24 -0.04 -1.25 -2.13 135.00 128.45 3a6p n PRO 914 Ca -0.11 0.47 -0.25 0.00 -0.04 0.00 0.00 63.50 63.57 3a6p n PRO 914 Cb 0.34 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 3a6p n PRO 914 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3a6p n ILE 915 N -1.84 1.54 -0.07 0.52 5.41 -1.16 -4.52 119.36 119.24 3a6p n ILE 915 Ca 0.01 -0.19 -0.06 0.00 1.00 0.00 0.00 62.75 63.50 3a6p n ILE 915 Cb 0.08 -1.96 0.12 0.00 -0.71 0.00 0.00 39.64 37.18 3a6p n ILE 915 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3a6p h LEU 916 N -0.95 0.73 0.00 1.39 3.38 -0.96 -2.40 115.31 116.49 3a6p h LEU 916 Ca -0.50 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3a6p h LEU 916 Cb 1.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3a6p h LEU 916 CO -0.29 0.91 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3a6p n GLY 917 N -0.34 -3.28 0.27 0.83 0.00 -0.91 -0.34 105.19 101.41 3a6p n GLY 917 Ca 0.01 0.64 0.11 0.00 0.00 0.00 0.00 46.02 46.78 3a6p n GLY 917 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a6p h PRO 918 N 0.00 0.00 0.39 1.61 0.11 -1.79 -2.41 132.00 129.91 3a6p h PRO 918 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3a6p h PRO 918 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3a6p h PRO 918 CO 0.00 0.07 -0.19 1.25 -0.21 0.00 0.00 178.00 178.92 3a6p h LEU 919 N 0.00 -0.44 -0.38 2.35 6.46 -0.75 -1.44 115.31 121.10 3a6p h LEU 919 Ca -0.00 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 3a6p h LEU 919 Cb 0.15 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3a6p h LEU 919 CO 0.01 -0.09 0.07 -0.26 -0.62 0.00 0.00 178.44 177.55 3a6p h PHE 920 N -0.83 0.66 -0.87 1.25 0.05 -0.54 -0.14 116.94 116.51 3a6p h PHE 920 Ca -0.05 -0.09 0.08 0.00 3.82 0.00 0.00 57.97 61.73 3a6p h PHE 920 Cb 0.54 -0.18 -0.11 0.00 2.00 0.00 0.00 35.95 38.20 3a6p h PHE 920 CO 0.01 0.65 -0.57 1.15 -0.18 0.00 0.00 178.31 179.38 3a6p h THR 921 N 0.47 0.00 0.58 -1.55 2.02 -1.53 -1.29 112.91 111.61 3a6p h THR 921 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3a6p h THR 921 Cb 0.34 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3a6p h THR 921 CO 0.00 0.00 -0.28 0.22 0.37 0.00 0.00 175.52 175.84 3a6p h TYR 922 N -0.06 -0.72 -0.67 3.16 3.20 -0.76 -2.61 116.97 118.51 3a6p h TYR 922 Ca 0.14 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3a6p h TYR 922 Cb 0.43 0.24 -0.11 0.00 1.54 0.00 0.00 36.73 38.82 3a6p h TYR 922 CO -0.98 -0.42 -0.46 -0.07 -1.64 0.00 0.00 178.16 174.59 3a6p h LEU 923 N -0.86 -1.62 -0.30 2.82 3.38 -1.02 0.24 115.31 117.96 3a6p h LEU 923 Ca -0.08 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3a6p h LEU 923 Cb 0.63 0.74 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 3a6p h LEU 923 CO 0.13 -0.32 -0.20 -0.74 0.09 0.00 0.00 178.44 177.40 3a6p h HIS 924 N -0.18 -0.52 -0.38 1.13 -0.00 -1.22 0.34 115.15 114.31 3a6p h HIS 924 Ca 0.19 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.66 3a6p h HIS 924 Cb 0.55 0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 28.18 3a6p h HIS 924 CO -0.78 -0.28 0.03 1.98 -0.00 0.00 0.00 177.93 178.89 3a6p h MET 925 N -0.18 0.14 -0.83 5.26 1.85 -0.97 0.49 114.93 120.70 3a6p h MET 925 Ca 0.16 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.28 3a6p h MET 925 Cb 0.42 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.36 3a6p h MET 925 CO -0.40 0.09 0.53 -0.09 -0.40 0.00 0.00 176.91 176.64 3a6p h ARG 926 N 0.15 0.99 -0.24 0.39 2.43 1.00 -2.31 114.38 116.78 3a6p h ARG 926 Ca 0.18 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 3a6p h ARG 926 Cb 0.24 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3a6p h ARG 926 CO -0.28 0.65 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.14 3a6p h LEU 927 N 1.02 0.95 -0.73 3.80 3.38 -0.02 -2.09 115.31 121.62 3a6p h LEU 927 Ca 0.34 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3a6p h LEU 927 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3a6p h LEU 927 CO -0.13 1.34 0.42 0.28 0.09 0.00 0.00 178.44 180.45 3a6p h SER 928 N 0.62 0.90 0.34 -0.43 0.02 -0.68 0.67 113.55 114.98 3a6p h SER 928 Ca -0.01 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 3a6p h SER 928 Cb 1.24 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3a6p h SER 928 CO 0.13 0.72 -0.51 1.56 -1.14 0.00 0.00 176.83 177.59 3a6p h GLN 929 N 1.00 0.20 -0.34 3.45 1.08 -1.37 -1.35 115.11 117.78 3a6p h GLN 929 Ca 0.26 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.18 3a6p h GLN 929 Cb 0.01 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3a6p h GLN 929 CO -0.04 0.66 -0.45 0.87 -0.95 0.00 0.00 178.83 178.92 3a6p h LYS 930 N 0.16 0.90 0.00 1.46 1.79 -1.03 -3.09 116.57 116.76 3a6p h LYS 930 Ca 0.00 -0.51 -0.12 0.00 -2.18 0.00 0.00 60.65 57.85 3a6p h LYS 930 Cb 0.96 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 3a6p h LYS 930 CO 0.08 1.15 -0.58 -1.49 -1.08 0.00 0.00 179.45 177.53 3a6p h TRP 931 N 0.72 0.00 -0.06 -1.35 4.06 -0.50 -2.80 115.95 116.01 3a6p h TRP 931 Ca 0.04 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.88 3a6p h TRP 931 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 3a6p h TRP 931 CO 0.06 0.58 -0.49 1.96 -3.56 0.00 0.00 178.44 176.99 3a6p h GLN 932 N 0.00 0.16 -0.66 0.49 4.20 -1.29 0.31 115.11 118.32 3a6p h GLN 932 Ca -0.01 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3a6p h GLN 932 Cb 1.07 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 3a6p h GLN 932 CO 0.08 0.62 0.14 0.28 -0.67 0.00 0.00 178.83 179.28 3a6p h VAL 933 N 0.13 1.26 0.00 -0.54 2.07 -1.44 -2.66 116.25 115.08 3a6p h VAL 933 Ca 0.00 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3a6p h VAL 933 Cb 0.92 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3a6p h VAL 933 CO 0.07 0.37 -0.00 0.40 0.02 0.00 0.00 177.57 178.43 3a6p h ILE 934 N 0.99 1.40 0.00 4.57 2.04 -1.28 -2.95 117.51 122.28 3a6p h ILE 934 Ca 0.20 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3a6p h ILE 934 Cb 0.39 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3a6p h ILE 934 CO 0.01 0.31 0.05 0.78 0.00 0.00 0.00 178.15 179.29 3a6p h ASN 935 N -0.51 0.00 0.65 1.72 -0.26 -0.40 -0.84 115.58 115.94 3a6p h ASN 935 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3a6p h ASN 935 Cb 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 3a6p h ASN 935 CO 0.00 0.00 -0.23 -0.61 -1.06 0.00 0.00 177.43 175.53 3a6p h GLN 936 N 0.00 0.00 0.00 0.81 5.75 -1.28 -3.50 115.11 116.89 3a6p h GLN 936 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a6p h GLN 936 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3a6p h GLN 936 CO 0.00 0.23 0.00 0.54 -2.65 0.00 0.00 178.83 176.95 3a6p n ARG 937 N -3.57 3.64 0.00 1.69 1.74 -0.33 -5.13 116.66 114.70 3a6p n ARG 937 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3a6p n ARG 937 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 3a6p n ARG 937 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3a6p n GLU 952 N 0.00 0.00 -0.25 5.56 2.13 -1.26 -5.12 120.64 121.70 3a6p n GLU 952 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3a6p n GLU 952 Cb 0.00 -0.63 0.05 0.00 0.27 0.00 0.00 31.44 31.13 3a6p n GLU 952 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3a6p h SER 953 N 0.00 0.90 -0.89 4.31 0.02 -2.05 -2.67 113.55 113.17 3a6p h SER 953 Ca 0.00 -0.11 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 3a6p h SER 953 Cb 0.80 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 63.02 3a6p h SER 953 CO 0.00 0.75 0.48 1.56 -1.14 0.00 0.00 176.83 178.48 3a6p h GLN 954 N 0.97 0.64 0.20 3.45 4.20 -2.06 0.17 115.11 122.69 3a6p h GLN 954 Ca 0.24 -0.04 -0.35 0.00 0.06 0.00 0.00 58.65 58.57 3a6p h GLN 954 Cb 0.07 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3a6p h GLN 954 CO -0.04 0.43 -1.71 1.49 -0.67 0.00 0.00 178.83 178.33 3a6p h GLU 955 N 0.66 0.42 -0.17 1.46 4.81 -2.01 -3.33 114.58 116.43 3a6p h GLU 955 Ca 0.49 -0.71 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3a6p h GLU 955 Cb 0.70 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3a6p h GLU 955 CO -0.37 1.34 0.05 1.98 -0.73 0.00 0.00 179.01 181.28 3a6p h MET 956 N 0.11 0.23 0.40 1.92 4.05 -1.04 -1.77 114.93 118.83 3a6p h MET 956 Ca -0.33 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.06 3a6p h MET 956 Cb 2.11 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.86 3a6p h MET 956 CO 0.19 0.21 -0.29 1.25 0.23 0.00 0.00 176.91 178.51 3a6p h LEU 957 N 0.23 -0.74 -2.27 3.39 5.85 -0.80 -3.20 115.31 117.77 3a6p h LEU 957 Ca 0.06 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a6p h LEU 957 Cb 0.08 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3a6p h LEU 957 CO -0.00 -0.44 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.31 3a6p h GLU 958 N -0.68 0.00 -0.60 1.25 5.08 -1.43 0.25 114.58 118.45 3a6p h GLU 958 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3a6p h GLU 958 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3a6p h GLU 958 CO 0.01 0.01 0.11 1.49 -1.00 0.00 0.00 179.01 179.64 3a6p h GLU 959 N 0.00 0.96 -0.56 2.33 4.81 -1.51 -2.80 114.58 117.81 3a6p h GLU 959 Ca -0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3a6p h GLU 959 Cb 0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3a6p h GLU 959 CO 0.00 0.87 0.26 0.37 -0.73 0.00 0.00 179.01 179.78 3a6p h GLN 960 N 0.91 0.81 -0.79 1.92 5.75 -0.54 -2.68 115.11 120.48 3a6p h GLN 960 Ca 0.19 -0.13 0.10 0.00 -0.15 0.00 0.00 58.65 58.67 3a6p h GLN 960 Cb 0.37 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.70 3a6p h GLN 960 CO 0.01 0.67 0.43 -0.07 -2.65 0.00 0.00 178.83 177.21 3a6p h LEU 961 N 0.76 0.58 -1.42 -2.39 3.38 -1.36 -0.01 115.31 114.84 3a6p h LEU 961 Ca 0.19 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3a6p h LEU 961 Cb 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3a6p h LEU 961 CO -0.02 0.32 0.07 0.58 0.09 0.00 0.00 178.44 179.47 3a6p h VAL 962 N 0.70 1.15 -0.21 1.22 2.07 -1.23 -0.12 116.25 119.82 3a6p h VAL 962 Ca 0.39 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3a6p h VAL 962 Cb 0.41 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3a6p h VAL 962 CO -0.27 0.19 0.02 0.03 0.02 0.00 0.00 177.57 177.56 3a6p h ARG 963 N 0.45 0.36 -0.35 1.57 2.47 -0.70 -1.65 114.38 116.52 3a6p h ARG 963 Ca 0.11 -0.10 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 3a6p h ARG 963 Cb 0.19 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3a6p h ARG 963 CO -0.00 0.52 -0.26 0.52 0.56 0.00 0.00 179.97 181.31 3a6p h MET 964 N 0.14 0.79 -0.85 0.04 2.86 -1.11 -1.77 114.93 115.03 3a6p h MET 964 Ca 0.06 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3a6p h MET 964 Cb 0.34 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3a6p h MET 964 CO 0.01 1.01 0.54 1.25 1.06 0.00 0.00 176.91 180.78 3a6p h LEU 965 N 0.57 0.89 -0.22 1.22 5.85 -1.02 -0.83 115.31 121.76 3a6p h LEU 965 Ca 0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3a6p h LEU 965 Cb 0.82 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3a6p h LEU 965 CO 0.07 0.60 -0.04 0.74 -0.34 0.00 0.00 178.44 179.47 3a6p h THR 966 N 1.04 1.28 -0.75 1.05 2.02 -0.96 -0.55 112.91 116.04 3a6p h THR 966 Ca 0.35 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.57 3a6p h THR 966 Cb 0.06 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 3a6p h THR 966 CO -0.13 0.31 0.47 0.03 0.37 0.00 0.00 175.52 176.56 3a6p h ARG 967 N 0.16 0.87 -0.27 6.66 3.08 -1.17 0.08 114.38 123.79 3a6p h ARG 967 Ca 0.06 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3a6p h ARG 967 Cb 0.48 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3a6p h ARG 967 CO 0.02 0.58 0.02 1.49 -1.07 0.00 0.00 179.97 181.01 3a6p h GLU 968 N 0.90 0.11 -0.43 0.04 4.57 -0.81 0.13 114.58 119.08 3a6p h GLU 968 Ca 0.30 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.36 3a6p h GLU 968 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3a6p h GLU 968 CO -0.12 0.07 -0.20 0.28 -1.18 0.00 0.00 179.01 177.86 3a6p h VAL 969 N 0.11 1.27 -0.12 0.32 2.07 -0.53 0.38 116.25 119.75 3a6p h VAL 969 Ca 0.13 -1.33 -0.19 0.00 0.82 0.00 0.00 66.70 66.13 3a6p h VAL 969 Cb 0.16 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3a6p h VAL 969 CO -0.20 0.45 -0.71 0.24 0.02 0.00 0.00 177.57 177.37 3a6p h MET 970 N 0.74 0.56 -0.03 1.57 2.86 -0.76 -0.53 114.93 119.34 3a6p h MET 970 Ca 0.10 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3a6p h MET 970 Cb 0.73 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 3a6p h MET 970 CO 0.06 1.06 0.02 0.22 1.06 0.00 0.00 176.91 179.33 3a6p h ASP 971 N 0.39 0.04 -0.40 1.22 3.58 -0.37 -1.13 116.42 119.75 3a6p h ASP 971 Ca -0.03 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.44 3a6p h ASP 971 Cb 1.30 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.25 3a6p h ASP 971 CO 0.13 0.08 -0.42 0.25 -2.88 0.00 0.00 179.24 176.40 3a6p h LEU 972 N -0.00 -1.39 -0.59 2.28 5.85 0.12 -0.06 115.31 121.52 3a6p h LEU 972 Ca 0.01 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3a6p h LEU 972 Cb 0.05 0.61 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3a6p h LEU 972 CO -0.00 -0.37 0.39 0.40 -0.34 0.00 0.00 178.44 178.52 3a6p h ILE 973 N -0.32 1.13 0.16 4.05 2.04 -0.82 -2.54 117.51 121.20 3a6p h ILE 973 Ca 0.14 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3a6p h ILE 973 Cb 0.58 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3a6p h ILE 973 CO -0.57 0.14 -0.15 0.74 0.00 0.00 0.00 178.15 178.32 3a6p h THR 974 N 0.78 0.68 0.00 -0.27 2.02 -0.63 -2.59 112.91 112.89 3a6p h THR 974 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3a6p h THR 974 Cb -0.07 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3a6p h THR 974 CO -0.06 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.30 3a6p h VAL 975 N -0.33 0.68 0.21 3.16 2.07 -0.82 0.11 116.25 121.33 3a6p h VAL 975 Ca -0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3a6p h VAL 975 Cb 0.30 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3a6p h VAL 975 CO -0.03 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 177.57 3a6p s VAL 978 N -2.37 4.24 0.00 0.00 1.01 0.01 0.19 120.40 123.48 3a6p s VAL 978 Ca -0.03 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3a6p s VAL 978 Cb 0.04 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3a6p s VAL 978 CO 0.27 0.22 0.00 -1.20 0.00 0.00 0.00 175.10 174.39 3a6p n SER 979 N 0.75 0.00 0.16 3.32 7.64 -1.26 -4.70 113.62 119.54 3a6p n SER 979 Ca 0.01 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.91 3a6p n SER 979 Cb 0.50 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.93 3a6p n SER 979 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3a6p h GLU 1010N 0.00 0.00 -5.68 1.43 4.81 -1.98 -3.51 114.58 109.64 3a6p h GLU 1010Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 3a6p h GLU 1010Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 3a6p h GLU 1010CO 0.00 0.50 -0.20 -1.17 -0.73 0.00 0.00 179.01 177.41 3a6p s LEU 1011N -7.21 4.28 0.91 1.64 2.96 -1.26 -5.07 118.68 114.92 3a6p s LEU 1011Ca -0.00 0.74 -0.13 0.00 -0.22 0.00 0.00 54.13 54.51 3a6p s LEU 1011Cb 0.11 -2.59 0.02 0.00 0.50 0.00 0.00 46.19 44.23 3a6p s LEU 1011CO 0.72 0.05 0.45 0.35 -1.32 0.00 0.00 176.35 176.60 3a6p n THR 1012N 3.52 0.37 0.07 3.68 -2.24 0.49 -4.36 114.28 115.82 3a6p n THR 1012Ca -0.09 -0.23 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 3a6p n THR 1012Cb 0.52 -0.66 0.64 0.00 -2.10 0.00 0.00 70.33 68.74 3a6p n THR 1012CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3a6p h ASP 1013N -1.34 0.06 0.33 3.42 3.45 -1.90 1.25 116.42 121.70 3a6p h ASP 1013Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3a6p h ASP 1013Cb 1.29 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3a6p h ASP 1013CO 0.36 0.04 -0.30 0.00 -1.57 0.00 0.00 179.24 177.76 3a6p n LEU 1014N -4.44 0.81 0.03 1.55 -0.00 -1.26 -2.46 117.00 111.23 3a6p n LEU 1014Ca 0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.01 55.90 3a6p n LEU 1014Cb 0.40 -0.17 -0.01 0.00 -0.00 0.00 0.00 43.42 43.64 3a6p n LEU 1014CO 0.36 0.16 0.10 1.23 -0.00 0.00 0.00 177.39 179.23 3a6p h GLY 1015N 4.95 -0.12 -0.86 1.47 0.00 0.12 -3.05 103.07 105.59 3a6p h GLY 1015Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.49 3a6p h GLY 1015CO 0.00 -0.04 -0.37 0.28 0.00 0.00 0.00 176.54 176.41 3a6p n LYS 1016N -3.31 -0.24 0.25 4.80 5.02 0.80 -2.39 118.16 123.10 3a6p n LYS 1016Ca -0.01 1.31 -0.13 0.00 -2.02 0.00 0.00 58.31 57.46 3a6p n LYS 1016Cb 0.04 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.04 3a6p n LYS 1016CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a6p h LEU 1018N -0.77 0.00 -0.62 0.00 3.38 -1.35 0.22 115.31 116.18 3a6p h LEU 1018Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3a6p h LEU 1018Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3a6p h LEU 1018CO 0.02 0.00 -0.68 0.24 0.09 0.00 0.00 178.44 178.11 3a6p h MET 1019N 0.00 0.08 -1.68 1.13 2.86 -1.34 -3.21 114.93 112.77 3a6p h MET 1019Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3a6p h MET 1019Cb 0.82 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3a6p h MET 1019CO -0.00 0.72 0.00 1.63 1.06 0.00 0.00 176.91 180.32 3a6p n LYS 1020N -3.77 0.75 -3.73 1.72 5.02 0.79 -4.69 118.16 114.26 3a6p n LYS 1020Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3a6p n LYS 1020Cb 0.66 -1.12 -0.15 0.00 -0.02 0.00 0.00 35.03 34.40 3a6p n LYS 1020CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a6p s HIS 1021N 0.39 -0.16 0.01 2.13 3.76 -1.21 -5.08 115.29 115.12 3a6p s HIS 1021Ca 0.00 0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 3a6p s HIS 1021Cb 0.00 -0.13 -0.00 0.00 1.11 0.00 0.00 32.58 33.56 3a6p s HIS 1021CO 0.00 -0.19 1.02 1.49 -0.85 0.00 0.00 174.74 176.22 3a6p h GLU 1022N 7.49 -0.01 -0.06 1.40 4.57 -1.87 -2.63 114.58 123.46 3a6p h GLU 1022Ca -0.37 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.71 3a6p h GLU 1022Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3a6p h GLU 1022CO 0.36 -0.01 -0.35 -0.44 -1.18 0.00 0.00 179.01 177.39 3a6p h ASP 1023N -0.01 0.42 -0.05 1.04 3.32 -1.97 -2.73 116.42 116.45 3a6p h ASP 1023Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 57.03 56.43 3a6p h ASP 1023Cb 0.02 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 3a6p h ASP 1023CO -0.03 1.02 -0.26 0.58 -1.72 0.00 0.00 179.24 178.83 3a6p h VAL 1024N -0.14 0.41 0.37 -1.35 2.07 -1.82 -1.19 116.25 114.59 3a6p h VAL 1024Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3a6p h VAL 1024Cb 1.01 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3a6p h VAL 1024CO 0.07 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.37 3a6p h THR 1026N -0.66 0.52 -0.05 0.00 2.02 -1.43 -1.46 112.91 111.85 3a6p h THR 1026Ca -0.03 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.83 3a6p h THR 1026Cb 0.57 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3a6p h THR 1026CO -0.01 0.09 -0.68 0.00 0.37 0.00 0.00 175.52 175.29 3a6p h ALA 1027N 1.70 0.77 -0.43 6.16 0.00 -0.04 -1.69 119.26 125.73 3a6p h ALA 1027Ca 0.57 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3a6p h ALA 1027Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3a6p h ALA 1027CO -0.50 0.78 -0.17 -0.07 0.00 0.00 0.00 179.25 179.30 3a6p h LEU 1028N 0.15 0.89 -0.06 0.00 4.07 -0.20 -2.58 115.31 117.58 3a6p h LEU 1028Ca -0.02 -0.39 -0.16 0.00 0.08 0.00 0.00 57.88 57.40 3a6p h LEU 1028Cb 1.21 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 42.72 3a6p h LEU 1028CO 0.10 1.08 -0.58 -0.07 -1.08 0.00 0.00 178.44 177.89 3a6p h LEU 1029N 0.70 0.62 0.05 1.67 4.07 -1.20 -2.36 115.31 118.85 3a6p h LEU 1029Ca 0.10 -0.69 0.01 0.00 0.08 0.00 0.00 57.88 57.38 3a6p h LEU 1029Cb 0.72 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 3a6p h LEU 1029CO 0.05 1.22 -0.10 0.40 -1.08 0.00 0.00 178.44 178.93 3a6p h ILE 1030N 0.07 0.75 -0.24 1.22 2.04 -1.40 -2.53 117.51 117.42 3a6p h ILE 1030Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3a6p h ILE 1030Cb 1.25 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3a6p h ILE 1030CO 0.12 0.00 0.12 0.74 0.00 0.00 0.00 178.15 179.13 3a6p h THR 1031N -0.20 1.13 -0.43 -0.27 2.02 -1.49 -0.75 112.91 112.92 3a6p h THR 1031Ca 0.02 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3a6p h THR 1031Cb 0.22 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3a6p h THR 1031CO -0.07 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.18 3a6p h ALA 1032N 0.99 0.55 0.00 6.16 0.00 -1.40 -2.13 119.26 123.43 3a6p h ALA 1032Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3a6p h ALA 1032Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3a6p h ALA 1032CO -0.01 0.07 -0.65 0.74 0.00 0.00 0.00 179.25 179.40 3a6p h PHE 1033N 0.56 0.00 0.00 0.00 -1.00 -1.39 -3.01 116.94 112.10 3a6p h PHE 1033Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 3a6p h PHE 1033Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3a6p h PHE 1033CO -0.02 0.58 0.00 -0.91 -1.61 0.00 0.00 178.31 176.34 3a6p h ASN 1034N 0.00 0.00 -0.30 2.17 4.21 -1.02 -3.25 115.58 117.40 3a6p h ASN 1034Ca -0.02 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.44 3a6p h ASN 1034Cb 1.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.65 3a6p h ASN 1034CO 0.07 0.00 -0.02 0.28 -1.29 0.00 0.00 177.43 176.47 3a6p h SER 1035N 0.00 0.53 -0.54 5.81 0.02 -1.24 -3.15 113.55 114.98 3a6p h SER 1035Ca 0.00 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3a6p h SER 1035Cb 0.41 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 3a6p h SER 1035CO 0.00 0.73 0.22 -0.07 -1.14 0.00 0.00 176.83 176.57 3a6p h LEU 1036N 0.32 0.24 -0.86 5.07 3.38 -1.70 0.11 115.31 121.88 3a6p h LEU 1036Ca 0.08 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.29 3a6p h LEU 1036Cb 0.47 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.08 3a6p h LEU 1036CO 0.02 0.16 -0.18 0.00 0.09 0.00 0.00 178.44 178.53 3a6p h ALA 1037N 1.35 0.63 -2.16 1.53 0.00 -1.72 -3.41 119.26 115.47 3a6p h ALA 1037Ca 0.26 0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.93 3a6p h ALA 1037Cb 0.27 0.63 0.20 0.00 0.00 0.00 0.00 17.79 18.89 3a6p h ALA 1037CO -0.24 -0.41 -1.05 0.91 0.00 0.00 0.00 179.25 178.45 3a6p n TRP 1038N -5.53 -2.72 -0.02 0.00 5.03 0.38 -4.91 117.44 109.67 3a6p n TRP 1038Ca 0.14 0.28 -0.12 0.00 3.03 0.00 0.00 57.50 60.83 3a6p n TRP 1038Cb 0.46 -1.70 -0.07 0.00 -1.03 0.00 0.00 31.31 28.96 3a6p n TRP 1038CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3a6p h LYS 1039N -0.44 0.14 -6.01 -0.99 3.64 -1.85 -3.46 116.57 107.60 3a6p h LYS 1039Ca -0.43 -0.04 -0.86 0.00 -1.27 0.00 0.00 60.65 58.04 3a6p h LYS 1039Cb 1.37 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3a6p h LYS 1039CO 0.37 0.39 0.73 -3.47 -2.27 0.00 0.00 179.45 175.21 3a6p n ASP 1040N -4.85 1.29 0.15 4.20 2.03 -1.26 -4.88 116.55 113.23 3a6p n ASP 1040Ca -0.06 1.16 0.12 0.00 0.52 0.00 0.00 54.79 56.53 3a6p n ASP 1040Cb 0.19 -0.90 0.21 0.00 -0.72 0.00 0.00 41.12 39.89 3a6p n ASP 1040CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3a6p h THR 1041N 5.10 0.00 -0.29 5.18 2.02 -1.99 -3.26 112.91 119.67 3a6p h THR 1041Ca -0.43 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 65.84 3a6p h THR 1041Cb 1.37 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3a6p h THR 1041CO 0.98 0.00 -0.35 0.25 0.37 0.00 0.00 175.52 176.78 3a6p h LEU 1042N 0.00 0.68 -0.28 2.58 7.12 -2.00 -3.28 115.31 120.14 3a6p h LEU 1042Ca 0.00 -0.28 -0.20 0.00 0.13 0.00 0.00 57.88 57.52 3a6p h LEU 1042Cb 0.89 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 3a6p h LEU 1042CO 0.00 0.97 -0.71 -1.28 -0.13 0.00 0.00 178.44 177.29 3a6p h SER 1043N 0.55 0.81 -0.70 1.25 0.87 -1.96 -3.34 113.55 111.02 3a6p h SER 1043Ca 0.06 -0.50 0.06 0.00 -1.23 0.00 0.00 61.79 60.18 3a6p h SER 1043Cb 0.85 -0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 62.49 3a6p h SER 1043CO 0.07 1.28 -0.46 0.00 -0.53 0.00 0.00 176.83 177.19 3a6p h GLN 1045N -0.07 0.66 0.44 0.00 7.50 -1.77 -2.16 115.11 119.71 3a6p h GLN 1045Ca 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3a6p h GLN 1045Cb 0.36 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 3a6p h GLN 1045CO -0.69 0.71 -0.31 0.00 -1.50 0.00 0.00 178.83 177.04 3a6p h ARG 1046N 0.50 -0.70 -0.26 1.46 3.08 -1.49 -1.89 114.38 115.08 3a6p h ARG 1046Ca 0.12 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3a6p h ARG 1046Cb 0.38 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3a6p h ARG 1046CO 0.01 -0.47 0.15 1.15 -1.07 0.00 0.00 179.97 179.74 3a6p h THR 1047N -0.73 1.11 0.60 2.04 2.02 -1.11 -2.57 112.91 114.27 3a6p h THR 1047Ca -0.04 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3a6p h THR 1047Cb 0.62 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3a6p h THR 1047CO 0.02 0.11 -0.49 0.74 0.37 0.00 0.00 175.52 176.26 3a6p h THR 1048N 0.31 0.00 0.01 3.16 2.02 -1.21 0.31 112.91 117.51 3a6p h THR 1048Ca 0.09 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.08 3a6p h THR 1048Cb 0.05 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 3a6p h THR 1048CO -0.02 0.00 -0.89 0.77 0.37 0.00 0.00 175.52 175.76 3a6p h SER 1049N -1.06 0.11 0.00 4.18 4.64 -1.43 -3.28 113.55 116.71 3a6p h SER 1049Ca -0.08 -0.10 -0.31 0.00 -0.47 0.00 0.00 61.79 60.83 3a6p h SER 1049Cb 0.89 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.89 3a6p h SER 1049CO -0.00 0.94 -2.31 0.00 -0.87 0.00 0.00 176.83 174.59 3a6p n GLN 1050N -3.57 0.74 0.03 4.77 6.02 -0.97 -4.86 117.38 119.55 3a6p n GLN 1050Ca -0.02 -0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 56.92 3a6p n GLN 1050Cb 0.83 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 30.57 3a6p n GLN 1050CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3a6p n LEU 1051N -2.67 1.16 -0.29 1.08 7.94 -0.09 -4.71 117.00 119.43 3a6p n LEU 1051Ca -0.28 0.15 0.12 0.00 -1.11 0.00 0.00 56.01 54.89 3a6p n LEU 1051Cb 1.06 -0.37 0.28 0.00 0.53 0.00 0.00 43.42 44.93 3a6p n LEU 1051CO 0.43 -0.70 0.95 0.00 -1.11 0.00 0.00 177.39 176.96 3a6p h TRP 1053N 0.22 -0.19 0.00 0.00 2.91 -1.82 -3.08 115.95 113.98 3a6p h TRP 1053Ca 0.54 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.56 3a6p h TRP 1053Cb 1.08 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 3a6p h TRP 1053CO -0.26 0.25 0.00 -1.00 -1.03 0.00 0.00 178.44 176.40 3a6p h PRO 1054N -0.85 0.00 0.51 2.65 0.13 -1.79 0.21 132.00 132.87 3a6p h PRO 1054Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 3a6p h PRO 1054Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 3a6p h PRO 1054CO 0.04 0.00 -0.25 -0.07 -0.23 0.00 0.00 178.00 177.49 3a6p h LEU 1055N 0.00 -0.58 -0.90 1.56 3.38 -1.53 -3.00 115.31 114.24 3a6p h LEU 1055Ca 0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3a6p h LEU 1055Cb 0.18 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a6p h LEU 1055CO 0.00 -0.27 -0.27 -0.07 0.09 0.00 0.00 178.44 177.92 3a6p h LEU 1056N -0.90 0.50 -0.69 1.67 3.38 -0.93 -1.85 115.31 116.49 3a6p h LEU 1056Ca -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3a6p h LEU 1056Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3a6p h LEU 1056CO 0.12 0.76 0.00 1.17 0.09 0.00 0.00 178.44 180.57 3a6p n LYS 1057N -4.11 0.08 -0.00 1.13 4.81 0.55 -1.59 118.16 119.04 3a6p n LYS 1057Ca -0.00 0.52 -0.11 0.00 -0.87 0.00 0.00 58.31 57.85 3a6p n LYS 1057Cb 0.42 -1.74 -0.14 0.00 0.02 0.00 0.00 35.03 33.59 3a6p n LYS 1057CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3a6p h GLN 1058N 0.00 0.06 -0.70 1.64 5.75 -1.18 -3.39 115.11 117.29 3a6p h GLN 1058Ca 0.00 -0.10 -0.51 0.00 -0.15 0.00 0.00 58.65 57.89 3a6p h GLN 1058Cb 0.07 0.04 -0.37 0.00 1.07 0.00 0.00 27.48 28.29 3a6p h GLN 1058CO 0.00 0.70 -0.61 1.33 -2.65 0.00 0.00 178.83 177.61 3a6p n VAL 1059N -3.18 2.61 0.02 2.39 0.24 -0.62 -4.71 118.33 115.09 3a6p n VAL 1059Ca -0.17 -3.97 -0.01 0.00 -2.04 0.00 0.00 64.34 58.14 3a6p n VAL 1059Cb 1.04 -1.05 0.27 0.00 -1.47 0.00 0.00 33.84 32.63 3a6p n VAL 1059CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3a6p h LEU 1060N 2.03 0.46-10.48 1.34 3.38 -1.64 -3.46 115.31 106.93 3a6p h LEU 1060Ca 0.36 -0.11 -0.44 0.00 0.09 0.00 0.00 57.88 57.78 3a6p h LEU 1060Cb 1.43 -0.12 0.04 0.00 0.09 0.00 0.00 40.66 42.10 3a6p h LEU 1060CO 0.77 0.61 -0.07 -0.94 0.09 0.00 0.00 178.44 178.90 3a6p s SER 1061N -6.78 5.36 0.44 -0.43 1.04 -1.26 -4.99 113.70 107.07 3a6p s SER 1061Ca -0.07 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3a6p s SER 1061Cb 0.15 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.38 3a6p s SER 1061CO 0.77 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.53 3a6p n GLY 1062N -2.26 0.60 3.05 7.32 0.00 -1.26 -4.65 105.19 107.98 3a6p n GLY 1062Ca 0.08 -0.83 -0.53 0.00 0.00 0.00 0.00 46.02 44.74 3a6p n GLY 1062CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a6p n THR 1063N -0.08 0.00 -3.41 2.61 -1.04 -1.26 -4.83 114.28 106.27 3a6p n THR 1063Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3a6p n THR 1063Cb 0.00 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.96 3a6p n THR 1063CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3a6p n LEU 1064N 7.40 2.81 -3.88 -4.42 4.77 -1.26 -5.05 117.00 117.37 3a6p n LEU 1064Ca 0.53 -5.23 -0.54 0.00 -0.03 0.00 0.00 56.01 50.73 3a6p n LEU 1064Cb -0.03 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 3a6p n LEU 1064CO 0.82 2.03 0.80 0.18 -1.33 0.00 0.00 177.39 179.89 3a6p n LEU 1065N 1.11 0.67 -0.16 2.23 4.77 -1.26 -4.62 117.00 119.74 3a6p n LEU 1065Ca 0.27 0.98 -0.02 0.00 -0.03 0.00 0.00 56.01 57.22 3a6p n LEU 1065Cb 0.43 -0.74 0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3a6p n LEU 1065CO 0.34 -1.00 0.87 0.00 -1.33 0.00 0.00 177.39 176.27 3a6p h ALA 1066N 3.60 0.53 -0.03 -1.18 0.00 -2.00 0.88 119.26 121.06 3a6p h ALA 1066Ca -0.39 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3a6p h ALA 1066Cb 1.16 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3a6p h ALA 1066CO 0.72 -0.36 0.02 0.22 0.00 0.00 0.00 179.25 179.86 3a6p h ASP 1067N 0.16 0.00 0.25 0.00 3.58 -2.01 -2.46 116.42 115.94 3a6p h ASP 1067Ca 0.26 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 3a6p h ASP 1067Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 3a6p h ASP 1067CO -0.39 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 175.85 3a6p h ALA 1068N 1.98 -0.34 -0.55 -0.78 0.00 -1.15 -2.71 119.26 115.72 3a6p h ALA 1068Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3a6p h ALA 1068Cb 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3a6p h ALA 1068CO -0.00 -0.53 -0.02 0.28 0.00 0.00 0.00 179.25 178.98 3a6p h VAL 1069N -0.65 0.55 -0.45 0.00 2.07 -1.08 -0.51 116.25 116.17 3a6p h VAL 1069Ca -0.03 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3a6p h VAL 1069Cb 0.46 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3a6p h VAL 1069CO 0.06 0.02 0.11 0.71 0.02 0.00 0.00 177.57 178.48 3a6p h THR 1070N 0.10 1.20 -0.28 2.57 1.35 -1.52 -3.01 112.91 113.33 3a6p h THR 1070Ca 0.28 -0.72 -0.12 0.00 -0.55 0.00 0.00 66.41 65.30 3a6p h THR 1070Cb 0.43 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3a6p h THR 1070CO -0.47 0.26 -0.29 -0.25 -0.25 0.00 0.00 175.52 174.52 3a6p h TRP 1071N 0.66 0.84 0.05 4.73 7.01 -0.84 -2.89 115.95 125.52 3a6p h TRP 1071Ca 0.15 -0.25 0.03 0.00 2.11 0.00 0.00 58.89 60.92 3a6p h TRP 1071Cb 0.25 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.09 3a6p h TRP 1071CO 0.01 1.00 -0.35 -0.07 -2.79 0.00 0.00 178.44 176.24 3a6p h LEU 1072N 0.44 -1.05 -0.81 0.65 3.38 -1.02 -1.96 115.31 114.94 3a6p h LEU 1072Ca 0.04 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3a6p h LEU 1072Cb 0.86 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3a6p h LEU 1072CO 0.07 -0.42 0.19 0.15 0.09 0.00 0.00 178.44 178.52 3a6p h PHE 1073N -0.54 1.13 -0.68 1.13 3.57 -1.66 -2.28 116.94 117.62 3a6p h PHE 1073Ca 0.04 -0.12 0.13 0.00 3.53 0.00 0.00 57.97 61.56 3a6p h PHE 1073Cb 0.60 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3a6p h PHE 1073CO -0.35 0.91 0.46 1.15 -2.23 0.00 0.00 178.31 178.25 3a6p h THR 1074N 1.04 0.82 0.18 4.41 2.02 -1.25 -1.98 112.91 118.15 3a6p h THR 1074Ca 0.22 -0.12 -0.32 0.00 0.77 0.00 0.00 66.41 66.96 3a6p h THR 1074Cb 0.33 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3a6p h THR 1074CO -0.00 0.06 -1.48 0.28 0.37 0.00 0.00 175.52 174.75 3a6p h SER 1075N 0.35 0.61 -0.97 4.18 0.02 -0.82 -0.90 113.55 116.02 3a6p h SER 1075Ca 0.33 -0.72 0.05 0.00 -0.84 0.00 0.00 61.79 60.61 3a6p h SER 1075Cb 0.78 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.06 3a6p h SER 1075CO -0.09 1.58 0.63 0.58 -1.14 0.00 0.00 176.83 178.40 3a6p h VAL 1076N 0.11 1.12 -0.40 2.27 2.07 -1.19 -2.30 116.25 117.93 3a6p h VAL 1076Ca -0.24 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3a6p h VAL 1076Cb 2.08 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3a6p h VAL 1076CO 0.22 0.21 -0.25 -0.07 0.02 0.00 0.00 177.57 177.70 3a6p h LEU 1077N 1.18 0.92 -2.13 2.57 3.38 -1.28 -2.10 115.31 117.86 3a6p h LEU 1077Ca 0.41 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a6p h LEU 1077Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3a6p h LEU 1077CO -0.14 1.15 -0.04 0.11 0.09 0.00 0.00 178.44 179.60 3a6p h LYS 1078N 0.70 0.00 -0.03 1.13 1.57 -0.96 0.38 116.57 119.36 3a6p h LYS 1078Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3a6p h LYS 1078Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3a6p h LYS 1078CO 0.07 0.04 0.00 0.78 -0.57 0.00 0.00 179.45 179.77 3a6p h GLY 1079N 0.17 0.05 1.97 3.86 0.00 -0.90 0.89 103.07 109.11 3a6p h GLY 1079Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3a6p h GLY 1079CO 0.01 0.04 -0.26 1.41 0.00 0.00 0.00 176.54 177.73 3a6p h LEU 1080N -0.24 0.04 -0.29 3.11 3.38 -0.66 0.55 115.31 121.19 3a6p h LEU 1080Ca 0.01 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3a6p h LEU 1080Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a6p h LEU 1080CO 0.00 0.30 -0.83 -0.61 0.09 0.00 0.00 178.44 177.39 3a6p h GLN 1081N 0.04 0.41 0.00 1.13 5.75 -0.08 -3.33 115.11 119.02 3a6p h GLN 1081Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3a6p h GLN 1081Cb 0.48 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3a6p h GLN 1081CO 0.03 1.04 0.00 -0.12 -2.65 0.00 0.00 178.83 177.13 3a6p n MET 1082N -3.79 0.00 0.00 1.69 1.56 0.31 -4.88 117.12 112.00 3a6p n MET 1082Ca -0.05 0.29 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 3a6p n MET 1082Cb 0.77 -0.91 0.00 0.00 2.15 0.00 0.00 33.22 35.22 3a6p n MET 1082CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 3a6p n HIS 1083N -1.36 0.00 0.00 1.12 8.25 0.19 -4.74 115.22 118.68 3a6p n HIS 1083Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3a6p n HIS 1083Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3a6p n HIS 1083CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6p n GLY 1084N 1.52 1.66 0.37 -1.41 0.00 -1.25 -4.16 105.19 101.93 3a6p n GLY 1084Ca 0.00 0.05 0.26 0.00 0.00 0.00 0.00 46.02 46.33 3a6p n GLY 1084CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3a6p h GLN 1085N 0.00 0.29 -6.24 1.61 3.07 -1.85 -3.39 115.11 108.60 3a6p h GLN 1085Ca 0.00 -0.02 -0.56 0.00 0.09 0.00 0.00 58.65 58.16 3a6p h GLN 1085Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.46 3a6p h GLN 1085CO 0.00 0.19 1.01 -1.58 0.09 0.00 0.00 178.83 178.54 3a6p s HIS 1086N -5.56 2.46 0.60 0.06 2.46 -1.26 -4.92 115.29 109.13 3a6p s HIS 1086Ca -0.09 0.71 0.31 0.00 0.47 0.00 0.00 55.06 56.45 3a6p s HIS 1086Cb 0.29 -3.78 1.86 0.00 -0.13 0.00 0.00 32.58 30.82 3a6p s HIS 1086CO 0.80 -2.43 2.26 0.22 -2.47 0.00 0.00 174.74 173.12 3a6p h ASP 1087N 9.29 0.00 0.21 9.88 1.82 -1.99 -2.75 116.42 132.88 3a6p h ASP 1087Ca -0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.32 3a6p h ASP 1087Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 3a6p h ASP 1087CO 0.99 0.00 -0.10 1.23 -1.61 0.00 0.00 179.24 179.75 3a6p h GLY 1088N 0.00 -0.29 0.99 -0.78 0.00 -1.91 -3.23 103.07 97.85 3a6p h GLY 1088Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3a6p h GLY 1088CO -0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 176.54 176.24 3a6p h MET 1090N -0.55 -0.51 -0.65 0.00 1.85 -1.64 0.26 114.93 113.69 3a6p h MET 1090Ca -0.05 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.14 3a6p h MET 1090Cb 0.42 0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.51 3a6p h MET 1090CO 0.09 -0.34 0.34 0.00 -0.40 0.00 0.00 176.91 176.60 3a6p h ALA 1091N 0.14 0.87 -0.55 0.39 0.00 -1.66 0.16 119.26 118.61 3a6p h ALA 1091Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a6p h ALA 1091Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3a6p h ALA 1091CO -0.11 -0.01 0.18 1.03 0.00 0.00 0.00 179.25 180.34 3a6p h SER 1092N 0.62 0.79 0.13 0.00 0.87 -1.42 -2.56 113.55 111.98 3a6p h SER 1092Ca 0.30 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 3a6p h SER 1092Cb 0.23 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3a6p h SER 1092CO -0.20 0.78 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.21 3a6p h LEU 1093N 0.76 0.53 0.40 2.23 3.38 -0.01 -1.91 115.31 120.69 3a6p h LEU 1093Ca 0.18 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3a6p h LEU 1093Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3a6p h LEU 1093CO -0.01 1.01 -0.19 0.58 0.09 0.00 0.00 178.44 179.92 3a6p h VAL 1094N 0.35 0.60 -0.89 1.22 2.07 -0.99 0.35 116.25 118.97 3a6p h VAL 1094Ca -0.00 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3a6p h VAL 1094Cb 1.14 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 3a6p h VAL 1094CO 0.11 0.04 0.54 -0.74 0.02 0.00 0.00 177.57 177.54 3a6p h HIS 1095N -0.67 0.99 -0.13 1.57 -0.00 -1.44 0.18 115.15 115.65 3a6p h HIS 1095Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3a6p h HIS 1095Cb 0.49 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3a6p h HIS 1095CO -0.02 0.45 0.00 1.25 -0.00 0.00 0.00 177.93 179.61 3a6p h LEU 1096N 0.93 0.22 -1.10 0.26 7.12 -1.23 -2.04 115.31 119.47 3a6p h LEU 1096Ca 0.41 -0.30 0.09 0.00 0.13 0.00 0.00 57.88 58.22 3a6p h LEU 1096Cb 0.30 -0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.30 3a6p h LEU 1096CO -0.22 0.46 0.61 0.00 -0.13 0.00 0.00 178.44 179.17 3a6p h ALA 1097N 0.76 1.54 -0.42 1.25 0.00 0.21 -2.32 119.26 120.27 3a6p h ALA 1097Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3a6p h ALA 1097Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a6p h ALA 1097CO 0.01 0.28 0.05 0.35 0.00 0.00 0.00 179.25 179.94 3a6p h PHE 1098N 1.00 0.67 0.00 0.00 3.57 -0.52 -2.12 116.94 119.54 3a6p h PHE 1098Ca 0.44 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.72 3a6p h PHE 1098Cb 0.35 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3a6p h PHE 1098CO -0.00 0.61 -0.74 1.96 -2.23 0.00 0.00 178.31 177.90 3a6p h GLN 1099N 0.62 0.00 -0.05 1.11 4.20 -0.84 -2.86 115.11 117.30 3a6p h GLN 1099Ca 0.14 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.65 3a6p h GLN 1099Cb 0.31 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.11 3a6p h GLN 1099CO 0.01 0.74 -0.72 0.82 -0.67 0.00 0.00 178.83 179.01 3a6p h ILE 1100N 0.00 1.35 0.00 2.54 2.04 -1.24 -2.81 117.51 119.39 3a6p h ILE 1100Ca -0.01 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3a6p h ILE 1100Cb 1.32 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 3a6p h ILE 1100CO 0.10 0.62 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3a6p n TYR 1101N -4.09 0.35 -0.05 1.37 9.36 -0.82 -2.69 117.16 120.60 3a6p n TYR 1101Ca -0.10 0.13 0.01 0.00 3.32 0.00 0.00 57.90 61.26 3a6p n TYR 1101Cb 0.72 -0.71 -0.14 0.00 -0.63 0.00 0.00 39.34 38.58 3a6p n TYR 1101CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3a6p n GLU 1102N -1.81 0.86 -0.01 2.98 1.02 -1.08 -3.76 120.64 118.84 3a6p n GLU 1102Ca 0.03 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.05 3a6p n GLU 1102Cb 0.22 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 3a6p n GLU 1102CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a6p n ALA 1103N -2.38 1.83 -0.00 0.62 0.00 -1.06 -4.57 120.51 114.94 3a6p n ALA 1103Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3a6p n ALA 1103Cb 0.76 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3a6p n ALA 1103CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a6p n LEU 1104N -2.84 0.28 -0.05 0.00 4.32 -1.09 -4.67 117.00 112.94 3a6p n LEU 1104Ca -0.15 -0.63 -0.13 0.00 -0.02 0.00 0.00 56.01 55.08 3a6p n LEU 1104Cb 0.93 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.73 3a6p n LEU 1104CO 0.44 0.07 0.46 -0.09 -1.22 0.00 0.00 177.39 177.04 3a6p h ARG 1105N 0.00 0.76 0.00 3.23 1.12 -1.71 -1.79 114.38 115.99 3a6p h ARG 1105Ca 0.00 -0.47 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 3a6p h ARG 1105Cb 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.01 3a6p h ARG 1105CO 0.00 1.10 0.00 -1.00 -3.11 0.00 0.00 179.97 176.96 3a6p h PRO 1106N 0.58 0.00 0.00 0.20 0.13 -1.84 -3.32 132.00 127.76 3a6p h PRO 1106Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 3a6p h PRO 1106Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3a6p h PRO 1106CO 0.11 0.00 -1.38 0.54 -0.23 0.00 0.00 178.00 177.04 3a6p n ARG 1107N -2.68 0.15 -3.66 0.86 1.74 -1.23 -4.97 116.66 106.88 3a6p n ARG 1107Ca -0.01 0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.75 3a6p n ARG 1107Cb 0.12 -0.91 -0.12 0.00 -1.02 0.00 0.00 32.46 30.53 3a6p n ARG 1107CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3a6p s TYR 1108N -2.13 3.16 -2.21 -1.55 1.51 -0.67 -4.98 117.35 110.49 3a6p s TYR 1108Ca -0.09 -0.23 0.30 0.00 -1.01 0.00 0.00 57.07 56.03 3a6p s TYR 1108Cb 0.03 -2.33 1.42 0.00 -0.11 0.00 0.00 41.96 40.97 3a6p s TYR 1108CO 0.14 -0.30 1.95 1.28 -1.11 0.00 0.00 175.55 177.51 3a6p n LEU 1109N 5.00 0.78 -0.40 -1.29 4.77 -1.26 -3.94 117.00 120.66 3a6p n LEU 1109Ca -0.15 -0.24 0.14 0.00 -0.03 0.00 0.00 56.01 55.73 3a6p n LEU 1109Cb 0.51 -0.02 0.55 0.00 -2.33 0.00 0.00 43.42 42.13 3a6p n LEU 1109CO 0.33 0.13 0.87 -0.62 -1.33 0.00 0.00 177.39 176.76 3a6p n GLU 1110N -0.42 1.48 -0.16 3.23 1.02 -1.26 -3.65 120.64 120.88 3a6p n GLU 1110Ca 0.21 -0.81 -0.07 0.00 -0.02 0.00 0.00 57.16 56.47 3a6p n GLU 1110Cb 0.25 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3a6p n GLU 1110CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a6p h ILE 1111N 1.97 1.26 0.00 -3.67 1.08 -1.91 -2.97 117.51 113.26 3a6p h ILE 1111Ca 0.00 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.23 3a6p h ILE 1111Cb 0.45 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 3a6p h ILE 1111CO 0.00 0.41 -0.39 -0.09 -0.69 0.00 0.00 178.15 177.38 3a6p h ARG 1112N 0.85 0.00 -0.84 2.37 2.43 -1.87 -3.12 114.38 114.20 3a6p h ARG 1112Ca 0.15 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 3a6p h ARG 1112Cb 0.57 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 3a6p h ARG 1112CO 0.03 0.39 0.46 0.00 -1.51 0.00 0.00 179.97 179.35 3a6p h ALA 1113N 1.61 1.24 -0.09 2.80 0.00 -1.71 -2.82 119.26 120.27 3a6p h ALA 1113Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3a6p h ALA 1113Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3a6p h ALA 1113CO 0.05 0.01 -0.22 0.28 0.00 0.00 0.00 179.25 179.37 3a6p h VAL 1114N 0.71 1.40 -0.93 0.00 2.07 -1.62 -3.28 116.25 114.61 3a6p h VAL 1114Ca 0.43 -1.54 0.23 0.00 0.82 0.00 0.00 66.70 66.65 3a6p h VAL 1114Cb 0.51 2.16 -0.12 0.00 -1.52 0.00 0.00 31.29 32.32 3a6p h VAL 1114CO -0.30 0.44 0.46 0.24 0.02 0.00 0.00 177.57 178.43 3a6p h MET 1115N -0.14 0.45 0.00 1.57 2.07 -1.49 -1.91 114.93 115.47 3a6p h MET 1115Ca -0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3a6p h MET 1115Cb 0.82 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 3a6p h MET 1115CO 0.05 0.29 0.00 0.39 1.07 0.00 0.00 176.91 178.71 3a6p n GLU 1116N -4.99 0.23 0.05 1.72 1.02 -1.15 -1.43 120.64 116.09 3a6p n GLU 1116Ca 0.24 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 3a6p n GLU 1116Cb 0.69 -1.83 0.46 0.00 -0.02 0.00 0.00 31.44 30.74 3a6p n GLU 1116CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3a6p n GLN 1117N -2.23 0.14 -1.83 3.49 6.02 -0.72 -4.86 117.38 117.39 3a6p n GLN 1117Ca 0.04 0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 3a6p n GLN 1117Cb 0.34 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 3a6p n GLN 1117CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a6p s ILE 1118N -3.06 2.96 0.21 5.09 1.01 -0.51 -4.95 121.20 121.94 3a6p s ILE 1118Ca 0.12 0.30 -0.32 0.00 0.00 0.00 0.00 60.65 60.75 3a6p s ILE 1118Cb 0.15 -3.19 -0.15 0.00 0.01 0.00 0.00 42.46 39.29 3a6p s ILE 1118CO 0.59 -0.01 1.26 -2.65 0.00 0.00 0.00 174.94 174.13 3a6p n PRO 1119N 6.18 1.55 -3.01 2.79 -0.02 -1.26 -4.09 135.00 137.15 3a6p n PRO 1119Ca 0.17 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3a6p n PRO 1119Cb 0.40 -2.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3a6p n PRO 1119CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3a6p n GLU 1120N 1.80 -4.66 -4.17 -0.52 1.02 -1.26 -5.06 120.64 107.79 3a6p n GLU 1120Ca 0.13 0.60 -0.29 0.00 -0.02 0.00 0.00 57.16 57.58 3a6p n GLU 1120Cb 0.28 -4.87 -0.17 0.00 -0.02 0.00 0.00 31.44 26.66 3a6p n GLU 1120CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3a6p s ILE 1121N -3.25 1.46 -0.13 -3.67 2.07 -1.26 -5.11 121.20 111.31 3a6p s ILE 1121Ca 0.00 -0.59 -0.29 0.00 -1.41 0.00 0.00 60.65 58.36 3a6p s ILE 1121Cb -0.00 -1.37 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 3a6p s ILE 1121CO 0.51 0.44 1.76 -1.10 -1.91 0.00 0.00 174.94 174.64 3a6p s GLN 1122N 1.32 3.88 0.38 3.50 1.11 -1.26 -4.90 119.66 123.69 3a6p s GLN 1122Ca 0.00 2.02 0.05 0.00 0.01 0.00 0.00 55.36 57.44 3a6p s GLN 1122Cb -0.14 -4.08 0.76 0.00 -1.01 0.00 0.00 33.01 28.54 3a6p s GLN 1122CO -0.07 -1.21 2.03 0.87 0.01 0.00 0.00 175.29 176.92 3a6p h LYS 1123N 10.90 0.68 -0.24 2.91 6.56 -1.99 -2.06 116.57 133.32 3a6p h LYS 1123Ca -0.39 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.04 3a6p h LYS 1123Cb 1.18 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 3a6p h LYS 1123CO 0.97 0.45 -0.37 -0.44 -2.06 0.00 0.00 179.45 178.00 3a6p h ASP 1124N 0.70 0.57 0.11 0.86 3.32 -1.99 0.71 116.42 120.68 3a6p h ASP 1124Ca 0.20 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 3a6p h ASP 1124Cb -0.05 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3a6p h ASP 1124CO -0.05 0.89 -0.66 0.77 -1.72 0.00 0.00 179.24 178.48 3a6p h SER 1125N 0.45 0.60 0.07 6.45 4.64 -1.91 -2.99 113.55 120.87 3a6p h SER 1125Ca 0.05 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3a6p h SER 1125Cb 0.86 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3a6p h SER 1125CO 0.07 1.10 -0.04 0.25 -0.87 0.00 0.00 176.83 177.34 3a6p h LEU 1126N 0.38 -0.08 -0.72 5.97 6.46 -0.80 -2.82 115.31 123.69 3a6p h LEU 1126Ca -0.02 -0.04 0.10 0.00 -0.12 0.00 0.00 57.88 57.81 3a6p h LEU 1126Cb 1.23 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 41.10 3a6p h LEU 1126CO 0.12 -0.01 0.34 0.44 -0.62 0.00 0.00 178.44 178.71 3a6p h ASP 1127N -0.15 0.41 -0.50 1.25 3.45 -0.92 0.26 116.42 120.23 3a6p h ASP 1127Ca -0.01 0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.53 3a6p h ASP 1127Cb 0.12 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3a6p h ASP 1127CO 0.02 0.22 0.32 -0.61 -1.57 0.00 0.00 179.24 177.62 3a6p h GLN 1128N 0.56 0.64 -0.01 3.56 -0.00 -1.46 -2.42 115.11 115.97 3a6p h GLN 1128Ca 0.36 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.82 3a6p h GLN 1128Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.75 3a6p h GLN 1128CO -0.30 0.42 -0.72 0.35 0.00 0.00 0.00 178.83 178.58 3a6p h PHE 1129N 0.65 0.10 -0.76 3.99 3.57 -1.05 -2.89 116.94 120.56 3a6p h PHE 1129Ca 0.19 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3a6p h PHE 1129Cb -0.05 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3a6p h PHE 1129CO -0.05 0.77 0.25 0.22 -2.23 0.00 0.00 178.31 177.27 3a6p h ASP 1130N 0.05 1.09 1.41 0.41 1.82 -0.33 -3.13 116.42 117.73 3a6p h ASP 1130Ca -0.01 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.39 3a6p h ASP 1130Cb 1.28 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 3a6p h ASP 1130CO 0.10 0.99 -0.60 0.00 -1.61 0.00 0.00 179.24 178.12 3a6p h LYS 1132N 0.00 0.70 0.00 0.00 3.64 -1.45 -2.99 116.57 116.47 3a6p h LYS 1132Ca -0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3a6p h LYS 1132Cb 1.15 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3a6p h LYS 1132CO 0.02 0.53 -1.33 1.28 -2.27 0.00 0.00 179.45 177.68 3a6p n LEU 1133N -4.39 0.49 -1.29 5.20 4.77 -1.25 -4.08 117.00 116.45 3a6p n LEU 1133Ca 0.04 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3a6p n LEU 1133Cb 0.11 -0.05 0.18 0.00 -2.33 0.00 0.00 43.42 41.33 3a6p n LEU 1133CO 0.37 -0.00 0.64 0.18 -1.33 0.00 0.00 177.39 177.24 3a6p n LEU 1134N -2.17 3.71 0.08 2.23 4.77 -1.13 -4.61 117.00 119.87 3a6p n LEU 1134Ca -0.00 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 3a6p n LEU 1134Cb 0.50 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3a6p n LEU 1134CO 0.42 0.51 0.00 0.59 -1.33 0.00 0.00 177.39 177.59 3a6p n ASN 1135N 0.17 0.40 -0.33 -1.43 3.02 -1.22 -5.03 115.26 110.85 3a6p n ASN 1135Ca 0.17 0.26 0.15 0.00 -0.03 0.00 0.00 54.58 55.13 3a6p n ASN 1135Cb 0.81 0.02 0.66 0.00 -0.61 0.00 0.00 39.78 40.66 3a6p n ASN 1135CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83