#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3t n PRO 12 N 0.00 1.73 -2.35 -1.08 -0.02 -1.26 -4.93 135.00 127.09 1r3t n PRO 12 Ca 0.00 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1r3t n PRO 12 Cb 0.00 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 1r3t n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1r3t s GLU 13 N -2.86 4.48 0.18 -0.52 2.12 -1.26 -4.51 118.70 116.33 1r3t s GLU 13 Ca 0.71 1.91 -0.31 0.00 0.36 0.00 0.00 54.97 57.63 1r3t s GLU 13 Cb -0.42 -3.22 -0.10 0.00 0.26 0.00 0.00 34.13 30.64 1r3t s GLU 13 CO 0.50 -0.10 1.57 -1.17 -0.54 0.00 0.00 175.26 175.52 1r3t s LEU 14 N -0.35 4.37 -0.21 2.70 2.96 -1.26 -4.37 118.68 122.52 1r3t s LEU 14 Ca 0.53 2.66 -0.16 0.00 -0.22 0.00 0.00 54.13 56.94 1r3t s LEU 14 Cb -0.33 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.65 1r3t s LEU 14 CO 0.38 -0.83 -0.17 0.29 -1.32 0.00 0.00 176.35 174.70 1r3t n LYS 15 N 3.70 0.54 -3.55 1.98 5.02 0.69 -4.81 118.16 121.73 1r3t n LYS 15 Ca 0.13 0.39 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 1r3t n LYS 15 Cb 0.38 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1r3t n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r3t s ASN 16 N -6.55 5.75 -0.22 4.39 2.47 -1.07 -4.94 114.94 114.78 1r3t s ASN 16 Ca -0.28 -1.55 0.15 0.00 0.42 0.00 0.00 52.86 51.59 1r3t s ASN 16 Cb 0.07 -2.03 0.61 0.00 -1.45 0.00 0.00 41.25 38.45 1r3t s ASN 16 CO 0.44 -0.59 1.54 -0.90 -3.72 0.00 0.00 177.10 173.87 1r3t n ASP 17 N 4.98 4.23 -0.36 -4.21 5.75 -1.26 -4.14 116.55 121.54 1r3t n ASP 17 Ca -0.10 -3.11 0.03 0.00 -0.01 0.00 0.00 54.79 51.60 1r3t n ASP 17 Cb 0.43 -0.61 0.19 0.00 -1.03 0.00 0.00 41.12 40.10 1r3t n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1r3t h THR 18 N 2.24 1.08 -0.74 2.12 2.02 -1.92 -1.17 112.91 116.55 1r3t h THR 18 Ca 0.06 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1r3t h THR 18 Cb 1.69 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1r3t h THR 18 CO 0.36 0.21 0.36 0.15 0.37 0.00 0.00 175.52 176.97 1r3t h PHE 19 N 1.14 1.06 -0.21 3.16 3.57 -1.84 -0.95 116.94 122.87 1r3t h PHE 19 Ca 0.43 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 1r3t h PHE 19 Cb 0.19 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1r3t h PHE 19 CO -0.00 0.78 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.75 1r3t h LEU 20 N 1.03 0.39 -0.36 0.59 3.38 -1.62 -1.33 115.31 117.39 1r3t h LEU 20 Ca 0.25 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1r3t h LEU 20 Cb 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1r3t h LEU 20 CO -0.03 0.65 0.15 0.03 0.09 0.00 0.00 178.44 179.33 1r3t h ARG 21 N 0.12 0.30 -0.82 1.13 3.08 -1.13 -1.12 114.38 115.95 1r3t h ARG 21 Ca 0.05 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1r3t h ARG 21 Cb 0.48 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1r3t h ARG 21 CO 0.02 0.20 0.51 0.00 -1.07 0.00 0.00 179.97 179.63 1r3t h ALA 22 N 1.21 1.10 -0.53 0.04 0.00 -1.16 -1.12 119.26 118.79 1r3t h ALA 22 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1r3t h ALA 22 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1r3t h ALA 22 CO -0.14 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.55 1r3t h ALA 23 N 1.37 1.27 -0.00 0.00 0.00 -0.28 -0.51 119.26 121.10 1r3t h ALA 23 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r3t h ALA 23 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1r3t h ALA 23 CO -0.14 0.52 -0.08 0.91 0.00 0.00 0.00 179.25 180.46 1r3t n TRP 24 N -4.30 0.00 -0.41 0.00 7.02 -0.52 -4.60 117.44 114.64 1r3t n TRP 24 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1r3t n TRP 24 Cb 0.20 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1r3t n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r3t n GLY 25 N 1.23 0.76 3.86 6.99 0.00 -0.20 -5.02 105.19 112.81 1r3t n GLY 25 Ca 0.16 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1r3t n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3t s GLU 26 N -0.75 3.85 0.39 1.61 2.02 -0.49 -4.74 118.70 120.58 1r3t s GLU 26 Ca 0.00 0.69 -0.26 0.00 0.02 0.00 0.00 54.97 55.42 1r3t s GLU 26 Cb 0.00 -2.27 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 1r3t s GLU 26 CO 0.00 -0.15 1.16 -2.00 0.02 0.00 0.00 175.26 174.29 1r3t s GLU 27 N -3.98 4.13 0.18 1.61 2.56 -1.26 -4.23 118.70 117.70 1r3t s GLU 27 Ca 0.55 1.83 0.03 0.00 0.00 0.00 0.00 54.97 57.38 1r3t s GLU 27 Cb -0.10 -2.73 -0.05 0.00 2.00 0.00 0.00 34.13 33.25 1r3t s GLU 27 CO 0.32 -0.26 -0.02 0.95 -0.56 0.00 0.00 175.26 175.69 1r3t s THR 28 N -1.40 0.89 0.05 -1.70 -4.23 -1.26 -4.91 115.64 103.09 1r3t s THR 28 Ca 0.56 -2.01 0.25 0.00 -1.18 0.00 0.00 61.69 59.30 1r3t s THR 28 Cb -0.31 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 71.67 1r3t s THR 28 CO 0.39 -0.50 1.80 0.44 -0.54 0.00 0.00 174.62 176.21 1r3t h ASP 29 N 2.65 0.00 -5.27 3.99 3.32 -1.98 -3.45 116.42 115.67 1r3t h ASP 29 Ca -0.37 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 1r3t h ASP 29 Cb 1.21 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1r3t h ASP 29 CO 0.63 0.19 -0.07 -0.72 -1.72 0.00 0.00 179.24 177.55 1r3t s TYR 30 N -3.56 0.47 -0.26 4.55 -0.85 -1.26 -4.59 117.35 111.86 1r3t s TYR 30 Ca 0.01 -0.85 -0.17 0.00 -0.52 0.00 0.00 57.07 55.55 1r3t s TYR 30 Cb 0.09 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1r3t s TYR 30 CO 0.63 -1.11 0.46 0.99 -1.52 0.00 0.00 175.55 175.01 1r3t s THR 31 N -3.58 5.11 0.59 -3.49 2.01 -1.26 -5.04 115.64 109.98 1r3t s THR 31 Ca 0.23 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.84 1r3t s THR 31 Cb -0.01 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1r3t s THR 31 CO 0.12 0.12 1.07 -2.16 -0.69 0.00 0.00 174.62 173.08 1r3t s PRO 32 N 2.15 3.29 0.00 4.92 0.04 -1.26 -4.59 135.00 139.55 1r3t s PRO 32 Ca 0.19 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1r3t s PRO 32 Cb -0.16 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1r3t s PRO 32 CO 0.09 -0.84 -0.01 0.54 0.04 0.00 0.00 177.00 176.82 1r3t s VAL 33 N -2.34 0.05 0.21 -0.36 0.11 -1.26 -1.38 120.40 115.42 1r3t s VAL 33 Ca 0.65 -0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.51 1r3t s VAL 33 Cb -0.17 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1r3t s VAL 33 CO 0.35 -0.06 0.23 -1.66 -3.33 0.00 0.00 175.10 170.63 1r3t s TRP 34 N -0.21 0.89 -0.08 1.54 1.48 -1.00 -1.01 118.94 120.54 1r3t s TRP 34 Ca -0.02 -1.16 0.03 0.00 -1.06 0.00 0.00 56.10 53.88 1r3t s TRP 34 Cb -0.02 -0.32 0.01 0.00 -1.16 0.00 0.00 33.47 31.98 1r3t s TRP 34 CO -0.00 -0.74 -0.17 0.00 -4.06 0.00 0.00 176.95 171.98 1r3t s MET 36 N 0.58 3.80 -1.61 0.00 -1.94 -1.26 -1.37 119.30 117.50 1r3t s MET 36 Ca -0.15 2.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.16 1r3t s MET 36 Cb -0.17 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 33.97 1r3t s MET 36 CO 0.05 -0.69 0.00 0.54 -0.01 0.00 0.00 175.02 174.91 1r3t n ARG 37 N -0.05 -1.81 0.11 2.03 1.74 -1.26 -1.53 116.66 115.89 1r3t n ARG 37 Ca 0.04 0.91 0.09 0.00 -0.77 0.00 0.00 57.85 58.13 1r3t n ARG 37 Cb 0.42 -5.55 0.58 0.00 -1.02 0.00 0.00 32.46 26.89 1r3t n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1r3t h GLN 38 N 0.00 0.18 -5.14 5.56 3.07 -1.61 -3.06 115.11 114.10 1r3t h GLN 38 Ca -0.44 -0.01 -0.67 0.00 0.09 0.00 0.00 58.65 57.62 1r3t h GLN 38 Cb 1.32 -0.04 -0.17 0.00 0.08 0.00 0.00 27.48 28.67 1r3t h GLN 38 CO 0.52 0.12 0.08 0.00 0.09 0.00 0.00 178.83 179.64 1r3t s ALA 39 N -5.20 3.36 0.19 0.06 0.00 -1.26 -4.53 121.76 114.38 1r3t s ALA 39 Ca -0.06 -1.53 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 1r3t s ALA 39 Cb 0.18 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 20.04 1r3t s ALA 39 CO 0.70 -1.93 0.99 0.20 0.00 0.00 0.00 175.76 175.73 1r3t s GLY 40 N 2.41 0.01 0.29 0.00 0.00 -1.16 -5.04 107.32 103.82 1r3t s GLY 40 Ca 0.18 -0.19 0.23 0.00 0.00 0.00 0.00 44.72 44.94 1r3t s GLY 40 CO 0.15 1.29 1.70 0.54 0.00 0.00 0.00 173.10 176.78 1r3t n ARG 41 N -0.60 0.18 0.30 2.90 1.74 -1.26 -1.60 116.66 118.32 1r3t n ARG 41 Ca -0.05 0.50 0.18 0.00 -0.77 0.00 0.00 57.85 57.71 1r3t n ARG 41 Cb 0.60 -1.91 0.95 0.00 -1.02 0.00 0.00 32.46 31.08 1r3t n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1r3t h TYR 42 N 0.00 0.00 -3.41 -1.55 -0.00 -1.78 -3.40 116.97 106.83 1r3t h TYR 42 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.13 1r3t h TYR 42 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 36.89 1r3t h TYR 42 CO 0.00 0.03 0.22 -0.51 -0.00 0.00 0.00 178.16 177.90 1r3t s LEU 43 N -6.76 4.10 0.38 0.10 1.43 -0.63 -4.48 118.68 112.82 1r3t s LEU 43 Ca -0.03 0.85 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1r3t s LEU 43 Cb 0.13 -2.96 0.84 0.00 0.03 0.00 0.00 46.19 44.23 1r3t s LEU 43 CO 0.50 -0.36 1.93 -0.65 0.23 0.00 0.00 176.35 178.01 1r3t h PRO 44 N 7.66 0.63 0.00 1.29 0.11 -1.88 -0.96 132.00 138.85 1r3t h PRO 44 Ca -0.28 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1r3t h PRO 44 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1r3t h PRO 44 CO 0.79 0.42 -0.28 1.05 -0.21 0.00 0.00 178.00 179.77 1r3t h GLU 45 N 0.65 0.00 -0.18 1.05 9.09 -1.93 -1.15 114.58 122.11 1r3t h GLU 45 Ca 0.35 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.70 1r3t h GLU 45 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1r3t h GLU 45 CO -0.13 0.28 -0.12 0.35 0.05 0.00 0.00 179.01 179.44 1r3t h PHE 46 N 0.00 0.46 -0.50 2.06 3.57 -1.44 -2.24 116.94 118.85 1r3t h PHE 46 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1r3t h PHE 46 Cb 0.61 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1r3t h PHE 46 CO 0.00 0.73 0.31 0.00 -2.23 0.00 0.00 178.31 177.12 1r3t h ARG 47 N 0.06 0.66 -0.51 1.11 3.08 -1.09 -0.79 114.38 116.90 1r3t h ARG 47 Ca 0.03 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1r3t h ARG 47 Cb 0.63 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1r3t h ARG 47 CO 0.03 0.46 0.24 1.49 -1.07 0.00 0.00 179.97 181.13 1r3t h GLU 48 N 0.67 0.46 -0.42 0.04 4.57 -1.19 -1.58 114.58 117.12 1r3t h GLU 48 Ca 0.18 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1r3t h GLU 48 Cb -0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1r3t h GLU 48 CO -0.04 0.30 -0.06 1.15 -1.18 0.00 0.00 179.01 179.18 1r3t h THR 49 N 0.47 1.27 0.00 0.32 2.02 -0.98 -3.03 112.91 112.98 1r3t h THR 49 Ca 0.23 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1r3t h THR 49 Cb 0.17 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1r3t h THR 49 CO -0.18 0.39 0.00 0.03 0.37 0.00 0.00 175.52 176.13 1r3t h ARG 50 N 0.62 0.00 0.00 6.66 2.47 -0.92 -3.27 114.38 119.94 1r3t h ARG 50 Ca 0.11 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1r3t h ARG 50 Cb 0.58 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1r3t h ARG 50 CO 0.03 0.00 -0.10 0.00 0.56 0.00 0.00 179.97 180.47 1r3t h ALA 51 N 2.05 1.54 -0.30 0.04 0.00 -1.16 -3.10 119.26 118.34 1r3t h ALA 51 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1r3t h ALA 51 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1r3t h ALA 51 CO 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1r3t h ALA 52 N 1.90 0.41 -1.41 0.00 0.00 -1.74 -3.45 119.26 114.97 1r3t h ALA 52 Ca -0.00 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 1r3t h ALA 52 Cb 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1r3t h ALA 52 CO 0.01 0.21 -0.51 -0.65 0.00 0.00 0.00 179.25 178.32 1r3t s GLN 53 N -4.82 2.16 0.79 0.00 1.11 -1.17 -5.12 119.66 112.60 1r3t s GLN 53 Ca -0.13 -1.98 -0.11 0.00 0.01 0.00 0.00 55.36 53.15 1r3t s GLN 53 Cb 0.08 -1.86 0.07 0.00 -1.01 0.00 0.00 33.01 30.29 1r3t s GLN 53 CO 0.78 -0.16 1.15 0.16 0.01 0.00 0.00 175.29 177.23 1r3t s ASP 54 N -3.88 4.67 0.06 5.90 -4.77 -1.26 -4.85 116.67 112.54 1r3t s ASP 54 Ca 0.36 0.80 -0.26 0.00 -3.30 0.00 0.00 52.55 50.15 1r3t s ASP 54 Cb 0.05 -1.35 -0.17 0.00 -1.09 0.00 0.00 42.92 40.36 1r3t s ASP 54 CO 0.19 -1.80 1.60 0.15 0.70 0.00 0.00 175.17 176.01 1r3t h PHE 55 N -0.96 -0.24 0.00 2.11 3.57 -1.98 -0.27 116.94 119.18 1r3t h PHE 55 Ca -0.46 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 1r3t h PHE 55 Cb 1.32 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1r3t h PHE 55 CO 0.34 -0.07 -0.20 0.74 -2.23 0.00 0.00 178.31 176.89 1r3t h PHE 56 N -0.35 0.00 -0.25 0.41 -1.00 -1.99 -1.67 116.94 112.09 1r3t h PHE 56 Ca -0.03 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.57 1r3t h PHE 56 Cb 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1r3t h PHE 56 CO -0.04 0.20 -0.56 0.77 -1.61 0.00 0.00 178.31 177.07 1r3t h SER 57 N 0.00 0.93 -0.92 2.17 0.02 -1.85 -3.03 113.55 110.88 1r3t h SER 57 Ca -0.00 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1r3t h SER 57 Cb 0.55 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1r3t h SER 57 CO 0.03 1.31 0.59 0.74 -1.14 0.00 0.00 176.83 178.35 1r3t h THR 58 N 0.58 1.11 0.00 -2.27 2.02 -0.69 -2.27 112.91 111.39 1r3t h THR 58 Ca 0.00 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1r3t h THR 58 Cb 1.18 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1r3t h THR 58 CO 0.12 0.20 -0.13 0.00 0.37 0.00 0.00 175.52 176.09 1r3t n ARG 60 N -3.98 1.65 -3.67 0.00 1.74 -0.86 -4.71 116.66 106.83 1r3t n ARG 60 Ca -0.02 -0.97 -0.39 0.00 -0.77 0.00 0.00 57.85 55.70 1r3t n ARG 60 Cb 0.22 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 30.13 1r3t n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r3t s SER 61 N -1.68 5.51 0.26 0.55 0.15 -0.72 -4.99 113.70 112.78 1r3t s SER 61 Ca 0.34 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.69 1r3t s SER 61 Cb 0.18 -1.94 0.43 0.00 -1.71 0.00 0.00 66.02 62.98 1r3t s SER 61 CO 0.28 -0.42 1.83 -0.65 1.20 0.00 0.00 173.24 175.48 1r3t h PRO 62 N 8.32 0.91 -0.61 5.44 0.11 -1.84 -0.58 132.00 143.76 1r3t h PRO 62 Ca -0.23 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1r3t h PRO 62 Cb 1.09 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1r3t h PRO 62 CO 0.67 0.60 0.06 0.93 -0.21 0.00 0.00 178.00 180.05 1r3t h GLU 63 N 0.94 1.03 -0.28 1.05 4.39 -1.94 0.29 114.58 120.06 1r3t h GLU 63 Ca 0.42 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1r3t h GLU 63 Cb 0.33 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1r3t h GLU 63 CO -0.23 0.98 0.02 0.00 -1.16 0.00 0.00 179.01 178.63 1r3t h ALA 64 N 1.01 0.38 -0.57 3.43 0.00 -1.72 -0.89 119.26 120.89 1r3t h ALA 64 Ca 0.18 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r3t h ALA 64 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1r3t h ALA 64 CO 0.02 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.67 1r3t h GLU 67 N 0.14 0.29 -0.41 0.00 4.57 -0.91 -1.34 114.58 116.93 1r3t h GLU 67 Ca 0.07 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1r3t h GLU 67 Cb 0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1r3t h GLU 67 CO -0.08 0.19 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.84 1r3t h LEU 68 N 0.30 0.65 -0.68 1.64 3.38 -1.14 -1.83 115.31 117.63 1r3t h LEU 68 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1r3t h LEU 68 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1r3t h LEU 68 CO -0.06 0.75 0.28 0.74 0.09 0.00 0.00 178.44 180.24 1r3t h THR 69 N 0.63 1.24 0.00 0.22 2.02 -0.68 -3.10 112.91 113.24 1r3t h THR 69 Ca 0.12 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.40 1r3t h THR 69 Cb 0.45 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1r3t h THR 69 CO 0.02 0.30 -0.76 -0.07 0.37 0.00 0.00 175.52 175.38 1r3t h LEU 70 N 0.97 0.00 -0.45 2.58 3.38 -0.90 -3.37 115.31 117.52 1r3t h LEU 70 Ca 0.23 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1r3t h LEU 70 Cb 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 1r3t h LEU 70 CO -0.02 0.76 -0.24 1.56 0.09 0.00 0.00 178.44 180.59 1r3t h GLN 71 N 0.00 -0.14 -0.48 1.13 4.20 -1.26 -0.82 115.11 117.73 1r3t h GLN 71 Ca -0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1r3t h GLN 71 Cb 1.45 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 1r3t h GLN 71 CO 0.10 -0.10 0.32 -1.00 -0.67 0.00 0.00 178.83 177.48 1r3t h PRO 72 N -0.15 0.64 0.00 1.46 0.13 -1.75 -2.41 132.00 129.91 1r3t h PRO 72 Ca 0.21 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1r3t h PRO 72 Cb 0.48 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1r3t h PRO 72 CO -0.54 0.42 -0.31 -0.07 -0.23 0.00 0.00 178.00 177.27 1r3t h LEU 73 N 0.66 0.00 -1.40 1.56 3.38 -1.34 -0.87 115.31 117.30 1r3t h LEU 73 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1r3t h LEU 73 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1r3t h LEU 73 CO -0.04 0.31 -0.29 0.03 0.09 0.00 0.00 178.44 178.54 1r3t h ARG 74 N 0.00 0.00 0.10 1.13 3.08 -1.07 -3.23 114.38 114.39 1r3t h ARG 74 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1r3t h ARG 74 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1r3t h ARG 74 CO 0.04 0.29 -1.86 0.00 -1.07 0.00 0.00 179.97 177.38 1r3t h ARG 75 N 0.00 0.22 -4.59 0.04 3.08 -1.36 -3.49 114.38 108.28 1r3t h ARG 75 Ca -0.00 -0.37 -0.35 0.00 0.07 0.00 0.00 59.98 59.33 1r3t h ARG 75 Cb 0.58 0.14 -0.27 0.00 0.08 0.00 0.00 29.97 30.50 1r3t h ARG 75 CO 0.04 1.05 -0.76 -0.06 -1.07 0.00 0.00 179.97 179.17 1r3t s PHE 76 N -2.58 0.69 -0.99 3.04 0.40 -0.39 -5.01 117.98 113.14 1r3t s PHE 76 Ca -0.16 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1r3t s PHE 76 Cb 0.07 -0.43 -0.15 0.00 0.51 0.00 0.00 43.02 43.01 1r3t s PHE 76 CO 0.80 -0.02 3.13 -0.35 0.70 0.00 0.00 175.22 179.48 1r3t n PRO 77 N 2.57 2.97 -1.95 0.24 -0.04 -1.26 -4.28 135.00 133.24 1r3t n PRO 77 Ca -0.15 -1.71 -0.36 0.00 -0.04 0.00 0.00 63.50 61.24 1r3t n PRO 77 Cb 0.57 -2.48 0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1r3t n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r3t s LEU 78 N 0.10 3.69 0.00 1.53 1.43 -1.26 -4.92 118.68 119.25 1r3t s LEU 78 Ca 0.66 2.47 0.24 0.00 -1.03 0.00 0.00 54.13 56.48 1r3t s LEU 78 Cb 0.22 -4.55 0.63 0.00 0.03 0.00 0.00 46.19 42.53 1r3t s LEU 78 CO -0.04 -1.64 1.50 0.47 0.23 0.00 0.00 176.35 176.88 1r3t n ASP 79 N -1.53 2.31 -3.62 2.29 8.00 -0.18 -4.86 116.55 118.96 1r3t n ASP 79 Ca 0.13 -1.78 -0.15 0.00 0.71 0.00 0.00 54.79 53.71 1r3t n ASP 79 Cb 0.49 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 1r3t n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3t s ALA 80 N -1.83 -1.26 0.06 2.24 0.00 -1.26 -4.21 121.76 115.50 1r3t s ALA 80 Ca 0.34 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1r3t s ALA 80 Cb 0.20 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1r3t s ALA 80 CO 0.30 -0.40 0.07 0.00 0.00 0.00 0.00 175.76 175.73 1r3t s ALA 81 N -1.87 3.55 -0.09 0.00 0.00 -0.42 -4.89 121.76 118.04 1r3t s ALA 81 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1r3t s ALA 81 Cb -0.02 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1r3t s ALA 81 CO 0.03 0.73 -0.24 -1.50 0.00 0.00 0.00 175.76 174.78 1r3t s ILE 82 N -1.33 2.02 0.35 0.00 2.07 -1.26 -0.12 121.20 122.93 1r3t s ILE 82 Ca 0.27 -1.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.22 1r3t s ILE 82 Cb -0.12 -1.74 -0.11 0.00 0.13 0.00 0.00 42.46 40.62 1r3t s ILE 82 CO 0.20 0.55 1.47 -0.51 -1.91 0.00 0.00 174.94 174.74 1r3t s ILE 83 N 0.25 2.21 -0.21 2.00 1.10 -0.74 -4.78 121.20 121.02 1r3t s ILE 83 Ca -0.16 0.20 -0.29 0.00 -0.51 0.00 0.00 60.65 59.90 1r3t s ILE 83 Cb -0.17 -3.13 -0.01 0.00 0.15 0.00 0.00 42.46 39.30 1r3t s ILE 83 CO 0.08 0.05 1.35 0.12 -2.11 0.00 0.00 174.94 174.43 1r3t s PHE 84 N -0.87 2.62 0.00 3.50 5.36 -1.26 -4.95 117.98 122.39 1r3t s PHE 84 Ca 0.54 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1r3t s PHE 84 Cb -0.45 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 1r3t s PHE 84 CO 0.58 -2.03 0.00 0.45 -1.46 0.00 0.00 175.22 172.75 1r3t n SER 85 N 7.27 0.00 -4.52 6.13 2.88 -1.26 -4.83 113.62 119.29 1r3t n SER 85 Ca 0.15 -0.88 -0.26 0.00 -1.33 0.00 0.00 58.87 56.56 1r3t n SER 85 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1r3t n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1r3t s GLY 86 N -1.22 1.74 0.32 0.46 0.00 -1.26 -5.02 107.32 102.34 1r3t s GLY 86 Ca 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 44.72 43.27 1r3t s GLY 86 CO 0.00 -1.65 1.57 0.16 0.00 0.00 0.00 173.10 173.17 1r3t h ILE 87 N 2.71 0.85 -0.00 0.90 3.07 -1.97 -3.33 117.51 119.74 1r3t h ILE 87 Ca -0.45 -1.92 0.00 0.00 1.55 0.00 0.00 64.86 64.04 1r3t h ILE 87 Cb 1.22 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.98 1r3t h ILE 87 CO 0.54 0.44 -0.00 0.18 -1.05 0.00 0.00 178.15 178.25 1r3t n LEU 88 N -3.33 0.12 0.20 0.16 4.77 -1.26 -3.34 117.00 114.32 1r3t n LEU 88 Ca 0.01 -0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1r3t n LEU 88 Cb 0.64 -0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.46 1r3t n LEU 88 CO 0.39 0.02 1.12 -0.37 -1.33 0.00 0.00 177.39 177.22 1r3t h VAL 89 N 0.18 0.75 0.21 4.08 -1.51 -1.99 -2.08 116.25 115.89 1r3t h VAL 89 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1r3t h VAL 89 Cb 0.04 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 1r3t h VAL 89 CO 0.00 0.00 -0.10 0.58 -1.23 0.00 0.00 177.57 176.82 1r3t h VAL 90 N 0.00 0.70 -0.87 7.19 2.07 -1.85 -1.38 116.25 122.10 1r3t h VAL 90 Ca 0.07 -0.99 0.17 0.00 0.82 0.00 0.00 66.70 66.78 1r3t h VAL 90 Cb 0.32 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1r3t h VAL 90 CO -0.00 0.17 0.57 -0.65 0.02 0.00 0.00 177.57 177.68 1r3t h PRO 91 N -0.89 0.49 -0.22 1.57 0.11 -1.78 -0.76 132.00 130.53 1r3t h PRO 91 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1r3t h PRO 91 Cb 0.50 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1r3t h PRO 91 CO 0.05 0.33 0.09 1.96 -0.21 0.00 0.00 178.00 180.22 1r3t h GLN 92 N 0.51 0.33 0.00 1.05 4.20 -1.34 -2.17 115.11 117.70 1r3t h GLN 92 Ca 0.45 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 1r3t h GLN 92 Cb 0.95 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1r3t h GLN 92 CO -0.18 0.38 -0.09 0.00 -0.67 0.00 0.00 178.83 178.27 1r3t h ALA 93 N 0.94 1.09 0.00 3.87 0.00 -0.34 -0.92 119.26 123.90 1r3t h ALA 93 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3t h ALA 93 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r3t h ALA 93 CO -0.01 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1r3t n LEU 94 N -3.32 0.00 0.00 0.00 4.77 -0.38 -4.79 117.00 113.28 1r3t n LEU 94 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1r3t n LEU 94 Cb 0.29 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1r3t n LEU 94 CO 0.29 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1r3t n GLY 95 N 1.28 0.99 3.84 -0.72 0.00 -0.35 -0.10 105.19 110.12 1r3t n GLY 95 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1r3t n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3t s MET 96 N -0.40 4.06 -0.19 1.61 -1.94 -0.85 -4.95 119.30 116.65 1r3t s MET 96 Ca 0.00 0.61 -0.17 0.00 -1.71 0.00 0.00 55.69 54.42 1r3t s MET 96 Cb 0.00 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1r3t s MET 96 CO 0.00 0.42 0.46 -1.21 -0.01 0.00 0.00 175.02 174.68 1r3t s GLU 97 N -2.08 4.21 0.06 2.03 0.41 -1.26 -4.15 118.70 117.91 1r3t s GLU 97 Ca 0.41 0.34 0.02 0.00 -0.41 0.00 0.00 54.97 55.33 1r3t s GLU 97 Cb -0.15 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.63 1r3t s GLU 97 CO 0.20 -0.05 0.06 0.08 -0.49 0.00 0.00 175.26 175.06 1r3t s VAL 98 N 1.33 4.45 0.12 2.63 1.01 -1.26 -4.21 120.40 124.47 1r3t s VAL 98 Ca 0.22 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1r3t s VAL 98 Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1r3t s VAL 98 CO 0.09 0.20 -0.21 0.42 0.00 0.00 0.00 175.10 175.60 1r3t s THR 99 N -1.31 1.75 -0.24 3.92 -4.23 -0.15 -5.00 115.64 110.38 1r3t s THR 99 Ca 0.26 -1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1r3t s THR 99 Cb -0.12 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1r3t s THR 99 CO 0.19 -0.11 -0.07 -0.32 -0.54 0.00 0.00 174.62 173.77 1r3t s MET 100 N -2.10 2.94 -0.14 3.99 1.75 -1.26 -1.38 119.30 123.10 1r3t s MET 100 Ca 0.09 -0.91 -0.16 0.00 -1.25 0.00 0.00 55.69 53.45 1r3t s MET 100 Cb -0.09 -2.96 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 1r3t s MET 100 CO 0.05 -0.35 0.41 0.08 -0.65 0.00 0.00 175.02 174.55 1r3t s VAL 101 N 1.35 5.23 -0.25 10.11 1.01 -0.28 -4.97 120.40 132.60 1r3t s VAL 101 Ca 0.01 0.79 -0.38 0.00 0.00 0.00 0.00 61.98 62.41 1r3t s VAL 101 Cb -0.16 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1r3t s VAL 101 CO -0.05 0.34 1.84 -2.65 0.00 0.00 0.00 175.10 174.58 1r3t n PRO 102 N 3.73 1.38 -1.99 2.72 -0.02 -1.26 -2.08 135.00 137.47 1r3t n PRO 102 Ca -0.09 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.69 1r3t n PRO 102 Cb 0.52 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1r3t n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3t n GLY 103 N 4.61 0.68 0.00 -1.23 0.00 -1.26 -4.69 105.19 103.30 1r3t n GLY 103 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1r3t n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3t n LYS 104 N -2.64 0.00 0.00 1.61 4.01 -1.10 -5.18 118.16 114.86 1r3t n LYS 104 Ca -0.21 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1r3t n LYS 104 Cb 0.66 -0.42 0.00 0.00 -0.51 0.00 0.00 35.03 34.76 1r3t n LYS 104 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1r3t n GLY 105 N 0.55 -0.06 3.76 0.72 0.00 -0.88 -4.96 105.19 104.32 1r3t n GLY 105 Ca 0.00 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1r3t n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3t s PRO 106 N -0.08 3.29 -0.05 1.61 0.04 -1.26 -1.12 135.00 137.43 1r3t s PRO 106 Ca 0.00 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 1r3t s PRO 106 Cb 0.00 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1r3t s PRO 106 CO 0.00 -0.93 0.25 0.45 0.04 0.00 0.00 177.00 176.81 1r3t s SER 107 N -1.58 -0.18 -0.39 6.66 0.15 -0.48 -4.59 113.70 113.29 1r3t s SER 107 Ca 0.73 0.23 -0.07 0.00 0.70 0.00 0.00 55.95 57.54 1r3t s SER 107 Cb -0.28 0.40 0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1r3t s SER 107 CO 0.32 -0.26 0.19 -0.36 1.20 0.00 0.00 173.24 174.32 1r3t s PHE 108 N -0.64 3.36 -0.31 3.44 0.40 -0.25 -0.98 117.98 123.00 1r3t s PHE 108 Ca -0.07 -1.72 0.25 0.00 -0.60 0.00 0.00 56.93 54.79 1r3t s PHE 108 Cb -0.04 -2.78 1.12 0.00 0.51 0.00 0.00 43.02 41.83 1r3t s PHE 108 CO 0.02 -0.84 1.76 -1.00 0.70 0.00 0.00 175.22 175.85 1r3t h PRO 109 N 8.26 0.00 -2.48 0.24 0.13 -1.84 -3.25 132.00 133.06 1r3t h PRO 109 Ca -0.21 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.32 1r3t h PRO 109 Cb 1.07 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.79 1r3t h PRO 109 CO 0.69 0.00 -0.62 0.39 -0.23 0.00 0.00 178.00 178.23 1r3t n GLU 110 N -2.38 2.15 -1.04 0.86 4.71 -1.26 -5.11 120.64 118.57 1r3t n GLU 110 Ca 0.01 -4.50 -0.30 0.00 -0.01 0.00 0.00 57.16 52.36 1r3t n GLU 110 Cb 0.19 -2.20 0.15 0.00 -1.01 0.00 0.00 31.44 28.58 1r3t n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1r3t s PRO 111 N -2.02 1.00 -0.09 3.49 0.04 -1.23 -4.93 135.00 131.27 1r3t s PRO 111 Ca 0.35 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1r3t s PRO 111 Cb 0.09 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1r3t s PRO 111 CO -0.07 -2.46 1.19 -0.51 0.04 0.00 0.00 177.00 175.19 1r3t s LEU 112 N -6.40 4.25 0.00 -3.56 1.43 0.04 -4.89 118.68 109.55 1r3t s LEU 112 Ca 0.64 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1r3t s LEU 112 Cb -0.20 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1r3t s LEU 112 CO 0.58 -0.61 0.00 0.54 0.23 0.00 0.00 176.35 177.10 1r3t n ARG 113 N 5.47 3.16 -4.45 1.70 5.12 -1.26 -4.35 116.66 122.05 1r3t n ARG 113 Ca 0.11 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.81 1r3t n ARG 113 Cb 0.46 -0.72 -0.10 0.00 -1.16 0.00 0.00 32.46 30.94 1r3t n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1r3t s GLU 114 N -0.95 1.60 0.38 5.56 -1.05 -1.26 -5.03 118.70 117.94 1r3t s GLU 114 Ca 0.00 -1.83 0.10 0.00 -0.15 0.00 0.00 54.97 53.10 1r3t s GLU 114 Cb 0.00 -1.17 0.87 0.00 -0.44 0.00 0.00 34.13 33.40 1r3t s GLU 114 CO 0.00 0.01 1.91 1.49 0.95 0.00 0.00 175.26 179.62 1r3t h GLU 115 N 2.22 0.60 0.00 -4.83 4.81 -1.99 -1.37 114.58 114.02 1r3t h GLU 115 Ca -0.40 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1r3t h GLU 115 Cb 1.24 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1r3t h GLU 115 CO 0.68 0.40 -0.16 0.37 -0.73 0.00 0.00 179.01 179.57 1r3t h GLN 116 N 0.62 0.00 0.00 1.92 4.15 -2.03 -1.94 115.11 117.82 1r3t h GLN 116 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 1r3t h GLN 116 Cb 0.62 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1r3t h GLN 116 CO -0.15 0.16 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.45 1r3t h ASP 117 N 0.00 0.00 0.14 -0.69 3.32 -1.66 -1.87 116.42 115.66 1r3t h ASP 117 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1r3t h ASP 117 Cb 0.48 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1r3t h ASP 117 CO 0.02 0.03 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.46 1r3t h LEU 118 N 0.00 0.00 -2.50 1.55 3.38 -1.50 -2.43 115.31 113.82 1r3t h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r3t h LEU 118 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1r3t h LEU 118 CO 0.00 0.03 0.00 -0.33 0.09 0.00 0.00 178.44 178.24 1r3t h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.54 -2.41 114.58 116.84 1r3t h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r3t h GLU 119 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1r3t h GLU 119 CO 0.00 0.00 -0.03 0.07 -1.00 0.00 0.00 179.01 178.05 1r3t h ARG 120 N 0.00 0.00 -7.06 2.33 0.11 -1.64 -3.46 114.38 104.66 1r3t h ARG 120 Ca 0.00 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.62 1r3t h ARG 120 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1r3t h ARG 120 CO 0.00 0.00 0.37 -0.51 0.10 0.00 0.00 179.97 179.93 1r3t s LEU 121 N -5.42 3.91 0.80 0.08 1.43 -0.91 -4.83 118.68 113.74 1r3t s LEU 121 Ca 0.08 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1r3t s LEU 121 Cb 0.08 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.87 1r3t s LEU 121 CO 0.64 -0.57 1.17 -0.13 0.23 0.00 0.00 176.35 177.69 1r3t s ARG 122 N -3.14 1.75 0.14 1.70 0.52 0.85 -4.97 118.95 115.80 1r3t s ARG 122 Ca 0.64 1.61 -0.31 0.00 -0.52 0.00 0.00 55.73 57.15 1r3t s ARG 122 Cb -0.14 -1.80 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1r3t s ARG 122 CO 0.17 -2.10 1.71 0.34 0.02 0.00 0.00 175.30 175.44 1r3t s ASP 123 N -2.43 6.49 0.59 0.23 -1.08 -1.26 -4.87 116.67 114.34 1r3t s ASP 123 Ca 0.70 2.70 0.30 0.00 -0.52 0.00 0.00 52.55 55.73 1r3t s ASP 123 Cb -0.25 -2.58 1.82 0.00 -1.46 0.00 0.00 42.92 40.44 1r3t s ASP 123 CO 0.51 -0.93 2.23 1.55 0.52 0.00 0.00 175.17 179.04 1r3t h PRO 124 N 7.72 0.00 0.00 4.34 0.13 -1.89 -1.83 132.00 140.47 1r3t h PRO 124 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1r3t h PRO 124 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r3t h PRO 124 CO 0.94 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.60 1r3t h GLU 125 N 0.00 0.00 -0.01 0.86 5.08 -1.90 -2.48 114.58 116.13 1r3t h GLU 125 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1r3t h GLU 125 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1r3t h GLU 125 CO -0.00 0.04 -0.35 1.33 -1.00 0.00 0.00 179.01 179.04 1r3t n VAL 126 N -3.27 0.00 -0.18 3.13 0.24 -0.69 -4.45 118.33 113.10 1r3t n VAL 126 Ca -0.01 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.12 1r3t n VAL 126 Cb 0.20 0.51 0.14 0.00 -1.47 0.00 0.00 33.84 33.22 1r3t n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1r3t h VAL 127 N 1.16 1.24 -0.90 3.34 2.07 -1.55 -2.69 116.25 118.92 1r3t h VAL 127 Ca 0.00 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1r3t h VAL 127 Cb 0.54 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1r3t h VAL 127 CO 0.00 0.33 0.59 0.00 0.02 0.00 0.00 177.57 178.51 1r3t h ALA 128 N 1.26 1.18 -0.85 1.67 0.00 -1.78 -0.73 119.26 120.00 1r3t h ALA 128 Ca 0.20 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1r3t h ALA 128 Cb 0.31 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1r3t h ALA 128 CO -0.00 0.47 0.55 0.66 0.00 0.00 0.00 179.25 180.93 1r3t h SER 129 N 1.16 0.84 0.77 0.00 4.64 -1.78 -1.07 113.55 118.11 1r3t h SER 129 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1r3t h SER 129 Cb -0.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1r3t h SER 129 CO -0.11 0.55 0.00 -0.62 -0.87 0.00 0.00 176.83 175.78 1r3t n GLU 130 N -4.48 0.20 -0.62 4.77 -0.58 -0.32 -3.01 120.64 116.60 1r3t n GLU 130 Ca 0.12 0.41 0.06 0.00 -0.42 0.00 0.00 57.16 57.33 1r3t n GLU 130 Cb 0.19 -1.87 0.29 0.00 -0.57 0.00 0.00 31.44 29.47 1r3t n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r3t n LEU 131 N -2.24 4.47 -0.20 -4.62 4.77 -0.41 -4.63 117.00 114.14 1r3t n LEU 131 Ca 0.02 -3.09 0.15 0.00 -0.03 0.00 0.00 56.01 53.06 1r3t n LEU 131 Cb 0.24 -0.60 0.47 0.00 -2.33 0.00 0.00 43.42 41.21 1r3t n LEU 131 CO 0.20 0.73 1.21 1.23 -1.33 0.00 0.00 177.39 179.43 1r3t h GLY 132 N 2.22 0.84 1.67 -0.72 0.00 -1.47 -0.26 103.07 105.35 1r3t h GLY 132 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1r3t h GLY 132 CO 0.34 0.06 0.22 0.10 0.00 0.00 0.00 176.54 177.26 1r3t h TYR 133 N 0.48 0.41 -0.28 5.60 -0.00 -1.88 0.36 116.97 121.66 1r3t h TYR 133 Ca 0.40 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 59.04 1r3t h TYR 133 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 37.44 1r3t h TYR 133 CO -0.00 0.25 -0.22 0.28 -0.00 0.00 0.00 178.16 178.47 1r3t h VAL 134 N 0.44 1.30 -0.89 -0.90 2.07 -1.33 -2.00 116.25 114.94 1r3t h VAL 134 Ca 0.12 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1r3t h VAL 134 Cb -0.04 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1r3t h VAL 134 CO -0.03 0.43 0.56 -0.26 0.02 0.00 0.00 177.57 178.29 1r3t h PHE 135 N 0.38 1.15 -0.70 1.57 0.05 -1.23 -0.44 116.94 117.71 1r3t h PHE 135 Ca 0.05 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 1r3t h PHE 135 Cb 0.77 -0.38 -0.03 0.00 2.00 0.00 0.00 35.95 38.30 1r3t h PHE 135 CO 0.07 0.75 0.33 1.96 -0.18 0.00 0.00 178.31 181.24 1r3t h GLN 136 N 1.22 1.01 -0.72 1.51 4.20 -0.88 -1.03 115.11 120.44 1r3t h GLN 136 Ca 0.32 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1r3t h GLN 136 Cb -0.08 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 1r3t h GLN 136 CO -0.06 0.80 0.31 0.00 -0.67 0.00 0.00 178.83 179.21 1r3t h ALA 137 N 1.16 0.93 -0.34 3.87 0.00 -0.88 -1.79 119.26 122.20 1r3t h ALA 137 Ca 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r3t h ALA 137 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1r3t h ALA 137 CO -0.03 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.60 1r3t h ILE 138 N 1.01 1.25 -0.33 0.00 2.04 -0.65 -1.39 117.51 119.44 1r3t h ILE 138 Ca 0.24 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1r3t h ILE 138 Cb 0.18 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1r3t h ILE 138 CO -0.02 0.29 0.05 0.74 0.00 0.00 0.00 178.15 179.21 1r3t h THR 139 N 0.41 1.24 -0.19 -0.27 2.02 -1.08 -0.57 112.91 114.46 1r3t h THR 139 Ca 0.10 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.48 1r3t h THR 139 Cb 0.39 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1r3t h THR 139 CO 0.01 0.27 0.06 0.25 0.37 0.00 0.00 175.52 176.49 1r3t h LEU 140 N 0.37 0.07 -0.67 2.58 5.85 -1.28 -0.79 115.31 121.44 1r3t h LEU 140 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1r3t h LEU 140 Cb 0.35 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1r3t h LEU 140 CO 0.01 0.07 0.24 0.74 -0.34 0.00 0.00 178.44 179.16 1r3t h THR 141 N 0.15 1.25 -0.85 1.05 2.02 -1.01 0.06 112.91 115.58 1r3t h THR 141 Ca 0.08 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.47 1r3t h THR 141 Cb 0.05 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1r3t h THR 141 CO -0.09 0.31 0.56 -0.09 0.37 0.00 0.00 175.52 176.59 1r3t h ARG 142 N 0.96 1.10 0.05 6.66 9.65 -0.85 0.12 114.38 132.08 1r3t h ARG 142 Ca 0.22 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1r3t h ARG 142 Cb 0.25 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1r3t h ARG 142 CO -0.01 0.73 -0.03 1.96 2.80 0.00 0.00 179.97 185.42 1r3t h GLN 143 N 1.13 -0.07 -0.18 0.20 4.20 -0.63 -3.11 115.11 116.65 1r3t h GLN 143 Ca 0.32 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.91 1r3t h GLN 143 Cb -0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1r3t h GLN 143 CO -0.08 0.10 -0.40 0.00 -0.67 0.00 0.00 178.83 177.78 1r3t h ARG 144 N -0.23 0.42 0.00 1.46 2.47 -0.69 -1.88 114.38 115.93 1r3t h ARG 144 Ca -0.01 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 1r3t h ARG 144 Cb 0.20 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1r3t h ARG 144 CO 0.01 0.76 -0.10 -0.07 0.56 0.00 0.00 179.97 181.13 1r3t h LEU 145 N 0.35 0.00 1.17 3.04 3.38 -0.80 -3.46 115.31 118.99 1r3t h LEU 145 Ca 0.03 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.60 1r3t h LEU 145 Cb 0.86 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.64 1r3t h LEU 145 CO 0.07 0.10 -0.59 0.00 0.09 0.00 0.00 178.44 178.12 1r3t n ALA 146 N -2.41 -0.95 -0.93 1.53 0.00 -0.71 -1.43 120.51 115.61 1r3t n ALA 146 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1r3t n ALA 146 Cb 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.09 1r3t n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3t n GLY 147 N -1.42 0.69 0.30 0.00 0.00 -1.26 -4.80 105.19 98.70 1r3t n GLY 147 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1r3t n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r3t h ARG 148 N 1.89 -0.44 -4.08 1.61 2.43 -1.55 0.20 114.38 114.43 1r3t h ARG 148 Ca 0.00 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1r3t h ARG 148 Cb 0.00 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 29.51 1r3t h ARG 148 CO 0.00 -0.29 -0.44 0.14 -1.51 0.00 0.00 179.97 177.87 1r3t s VAL 149 N -6.05 0.08 0.62 0.20 -7.23 -1.26 -2.61 120.40 104.15 1r3t s VAL 149 Ca -0.15 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 1r3t s VAL 149 Cb 0.08 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1r3t s VAL 149 CO 0.65 -0.37 1.14 -2.84 -0.31 0.00 0.00 175.10 173.38 1r3t s PRO 150 N -4.00 2.92 -0.24 4.82 0.02 -1.26 -4.75 135.00 132.51 1r3t s PRO 150 Ca 0.19 1.58 -0.07 0.00 0.02 0.00 0.00 61.00 62.72 1r3t s PRO 150 Cb 0.05 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1r3t s PRO 150 CO 0.00 -1.19 0.06 -1.17 -0.33 0.00 0.00 177.00 174.37 1r3t s LEU 151 N -4.43 3.43 -0.14 -5.54 2.96 -1.26 -1.30 118.68 112.39 1r3t s LEU 151 Ca 0.71 -0.20 -0.17 0.00 -0.22 0.00 0.00 54.13 54.26 1r3t s LEU 151 Cb -0.24 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1r3t s LEU 151 CO 0.36 -0.01 0.41 -0.63 -1.32 0.00 0.00 176.35 175.16 1r3t s ILE 152 N 1.49 5.22 0.46 6.68 1.01 0.83 -0.31 121.20 136.59 1r3t s ILE 152 Ca 0.06 0.81 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1r3t s ILE 152 Cb -0.15 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1r3t s ILE 152 CO 0.03 0.34 0.66 -0.83 0.00 0.00 0.00 174.94 175.14 1r3t s GLY 153 N 0.62 1.72 0.16 6.18 0.00 0.06 -1.80 107.32 114.27 1r3t s GLY 153 Ca 0.22 -1.31 -0.19 0.00 0.00 0.00 0.00 44.72 43.44 1r3t s GLY 153 CO 0.08 -1.11 0.52 -0.11 0.00 0.00 0.00 173.10 172.47 1r3t s PHE 154 N -2.54 -0.30 0.22 1.90 -0.12 -1.26 -1.02 117.98 114.86 1r3t s PHE 154 Ca 0.52 0.01 -0.17 0.00 -0.05 0.00 0.00 56.93 57.24 1r3t s PHE 154 Cb -0.10 0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1r3t s PHE 154 CO 0.36 -0.83 0.55 0.00 -0.05 0.00 0.00 175.22 175.25 1r3t s ALA 155 N -3.81 -0.87 0.38 1.99 0.00 -0.98 -4.96 121.76 113.53 1r3t s ALA 155 Ca 0.04 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1r3t s ALA 155 Cb -0.00 0.89 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 1r3t s ALA 155 CO -0.09 -0.85 1.00 0.20 0.00 0.00 0.00 175.76 176.02 1r3t s GLY 156 N -2.91 2.70 0.64 0.00 0.00 -1.26 -0.92 107.32 105.57 1r3t s GLY 156 Ca 0.12 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.30 1r3t s GLY 156 CO 0.01 1.01 1.07 0.00 0.00 0.00 0.00 173.10 175.18 1r3t s ALA 157 N -1.73 2.66 0.18 3.20 0.00 -0.02 -4.74 121.76 121.31 1r3t s ALA 157 Ca 0.56 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1r3t s ALA 157 Cb -0.19 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.84 1r3t s ALA 157 CO 0.24 -1.03 1.62 -1.35 0.00 0.00 0.00 175.76 175.25 1r3t h PRO 158 N -0.01 -0.10 -0.16 0.00 0.11 -1.92 -0.67 132.00 129.25 1r3t h PRO 158 Ca -0.46 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r3t h PRO 158 Cb 1.22 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1r3t h PRO 158 CO 0.56 -0.07 0.10 2.35 -0.21 0.00 0.00 178.00 180.74 1r3t h TRP 159 N -0.10 0.22 -0.75 0.65 2.91 -1.89 -0.41 115.95 116.58 1r3t h TRP 159 Ca 0.23 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.26 1r3t h TRP 159 Cb 0.46 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 1r3t h TRP 159 CO -0.48 0.19 0.49 1.15 -1.03 0.00 0.00 178.44 178.75 1r3t h THR 160 N 0.18 1.15 -0.67 2.65 2.02 -1.78 0.17 112.91 116.64 1r3t h THR 160 Ca 0.06 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1r3t h THR 160 Cb 0.04 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 1r3t h THR 160 CO -0.01 0.18 0.28 -0.07 0.37 0.00 0.00 175.52 176.27 1r3t h LEU 161 N 0.97 0.89 -0.76 2.58 3.38 -0.88 -2.13 115.31 119.37 1r3t h LEU 161 Ca 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r3t h LEU 161 Cb -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1r3t h LEU 161 CO -0.08 0.79 0.49 -0.03 0.09 0.00 0.00 178.44 179.70 1r3t h MET 162 N 0.96 1.01 -0.91 1.13 4.05 0.19 -1.54 114.93 119.82 1r3t h MET 162 Ca 0.23 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1r3t h MET 162 Cb 0.16 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 1r3t h MET 162 CO -0.02 0.68 0.59 1.79 0.23 0.00 0.00 176.91 180.18 1r3t h THR 163 N 1.03 1.24 -0.39 -0.77 1.35 -0.33 -0.79 112.91 114.25 1r3t h THR 163 Ca 0.28 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 1r3t h THR 163 Cb -0.10 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.21 1r3t h THR 163 CO -0.06 0.23 -0.23 1.88 -0.25 0.00 0.00 175.52 177.09 1r3t h TYR 164 N 1.24 0.89 -0.05 4.73 -1.99 -1.22 0.79 116.97 121.36 1r3t h TYR 164 Ca 0.33 -0.21 -0.12 0.00 2.00 0.00 0.00 58.73 60.74 1r3t h TYR 164 Cb -0.13 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.38 1r3t h TYR 164 CO -0.01 0.94 -0.50 0.52 -0.00 0.00 0.00 178.16 179.11 1r3t h MET 165 N 0.68 0.14 0.05 4.88 2.86 -0.44 0.09 114.93 123.19 1r3t h MET 165 Ca 0.09 -0.08 -0.29 0.00 -2.06 0.00 0.00 59.70 57.37 1r3t h MET 165 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1r3t h MET 165 CO 0.06 0.61 -1.56 0.28 1.06 0.00 0.00 176.91 177.36 1r3t n VAL 166 N -3.95 1.63 0.14 -2.22 0.31 -0.38 -0.78 118.33 113.08 1r3t n VAL 166 Ca -0.02 -0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 1r3t n VAL 166 Cb 0.53 -1.93 0.18 0.00 -0.91 0.00 0.00 33.84 31.72 1r3t n VAL 166 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1r3t h GLU 167 N -0.60 0.00 0.00 5.55 4.39 -0.91 -3.40 114.58 119.61 1r3t h GLU 167 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1r3t h GLU 167 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1r3t h GLU 167 CO -0.10 0.60 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 1r3t n GLY 168 N 0.22 0.69 0.00 -3.84 0.00 0.01 -4.91 105.19 97.35 1r3t n GLY 168 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1r3t n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r3t n GLY 169 N -2.62 -0.50 3.82 -0.02 0.00 -1.17 -1.09 105.19 103.61 1r3t n GLY 169 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1r3t n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3t s GLY 170 N 0.00 1.85 -0.05 -0.02 0.00 -1.26 -4.48 107.32 103.36 1r3t s GLY 170 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1r3t s GLY 170 CO 0.00 0.49 0.42 -0.45 0.00 0.00 0.00 173.10 173.56 1r3t s SER 171 N -3.43 -0.35 0.24 1.64 0.15 -1.26 -5.04 113.70 105.66 1r3t s SER 171 Ca 0.60 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.87 1r3t s SER 171 Cb -0.14 0.48 0.51 0.00 -1.71 0.00 0.00 66.02 65.16 1r3t s SER 171 CO 0.47 -0.43 1.56 0.77 1.20 0.00 0.00 173.24 176.82 1r3t h SER 172 N 3.99 0.00 0.00 5.45 4.64 -2.05 -3.38 113.55 122.19 1r3t h SER 172 Ca -0.29 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1r3t h SER 172 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1r3t h SER 172 CO 0.36 0.03 -0.67 0.35 -0.87 0.00 0.00 176.83 176.03 1r3t n THR 173 N -2.46 0.00 -3.00 2.95 -2.24 -1.26 -5.02 114.28 103.25 1r3t n THR 173 Ca 0.04 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1r3t n THR 173 Cb 0.47 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1r3t n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r3t n MET 174 N -1.07 -3.20 -0.19 -0.78 0.00 -1.26 -4.87 117.12 105.75 1r3t n MET 174 Ca 0.00 0.57 0.01 0.00 0.00 0.00 0.00 57.70 58.28 1r3t n MET 174 Cb 0.00 -5.26 0.26 0.00 0.00 0.00 0.00 33.22 28.22 1r3t n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r3t h ALA 175 N 0.98 1.47 -0.03 3.04 0.00 -1.96 0.75 119.26 123.51 1r3t h ALA 175 Ca -0.39 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1r3t h ALA 175 Cb 1.27 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1r3t h ALA 175 CO 0.47 0.48 -0.82 1.96 0.00 0.00 0.00 179.25 181.34 1r3t h GLN 176 N 0.96 0.60 -0.37 0.00 4.20 -1.95 -1.73 115.11 116.82 1r3t h GLN 176 Ca 0.26 -0.61 -0.12 0.00 0.06 0.00 0.00 58.65 58.23 1r3t h GLN 176 Cb -0.09 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1r3t h GLN 176 CO -0.05 1.22 -0.27 0.00 -0.67 0.00 0.00 178.83 179.06 1r3t h ALA 177 N 0.40 0.82 -0.09 3.87 0.00 -1.86 -2.42 119.26 119.98 1r3t h ALA 177 Ca -0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1r3t h ALA 177 Cb 1.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1r3t h ALA 177 CO 0.16 0.64 -0.46 0.87 0.00 0.00 0.00 179.25 180.47 1r3t h LYS 178 N 0.67 0.21 -0.78 0.00 1.57 -0.89 -2.47 116.57 114.89 1r3t h LYS 178 Ca 0.08 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1r3t h LYS 178 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1r3t h LYS 178 CO 0.07 0.63 0.33 -0.09 -0.57 0.00 0.00 179.45 179.82 1r3t h ARG 179 N 0.18 1.15 -0.45 3.15 2.43 -1.18 -1.64 114.38 118.02 1r3t h ARG 179 Ca 0.01 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1r3t h ARG 179 Cb 0.88 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1r3t h ARG 179 CO 0.07 0.92 0.13 -1.49 -1.51 0.00 0.00 179.97 178.09 1r3t h TRP 180 N 1.12 0.22 -0.95 2.20 4.06 -0.99 0.35 115.95 121.96 1r3t h TRP 180 Ca 0.26 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.31 1r3t h TRP 180 Cb 0.19 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.25 1r3t h TRP 180 CO 0.02 0.05 0.60 -0.07 -3.56 0.00 0.00 178.44 175.48 1r3t h LEU 181 N 0.28 0.94 0.18 -4.49 3.38 -0.95 0.42 115.31 115.07 1r3t h LEU 181 Ca 0.22 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.87 1r3t h LEU 181 Cb 0.25 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1r3t h LEU 181 CO -0.25 0.59 -1.70 1.88 0.09 0.00 0.00 178.44 179.05 1r3t h TYR 182 N 1.07 0.68 0.00 1.13 -1.99 -0.59 -3.29 116.97 113.98 1r3t h TYR 182 Ca 0.42 -0.49 -0.11 0.00 2.00 0.00 0.00 58.73 60.55 1r3t h TYR 182 Cb 0.21 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1r3t h TYR 182 CO -0.02 1.61 -1.88 1.04 -0.00 0.00 0.00 178.16 178.91 1r3t n GLN 183 N -3.56 0.65 -2.95 4.88 6.02 0.12 -4.60 117.38 117.94 1r3t n GLN 183 Ca -0.23 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.52 1r3t n GLN 183 Cb 1.07 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.72 1r3t n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r3t n ARG 184 N -2.51 1.71 -0.36 -1.09 1.74 0.15 -4.95 116.66 111.34 1r3t n ARG 184 Ca -0.11 -3.76 0.02 0.00 -0.77 0.00 0.00 57.85 53.23 1r3t n ARG 184 Cb 0.74 -1.76 0.16 0.00 -1.02 0.00 0.00 32.46 30.58 1r3t n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r3t h PRO 185 N 2.95 1.15 -0.16 5.56 0.13 -1.61 -0.36 132.00 139.66 1r3t h PRO 185 Ca 0.08 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.12 1r3t h PRO 185 Cb 0.92 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1r3t h PRO 185 CO 0.60 0.76 0.00 1.96 -0.23 0.00 0.00 178.00 181.09 1r3t h GLN 186 N 1.18 0.28 -0.54 0.86 4.20 -1.91 -0.51 115.11 118.68 1r3t h GLN 186 Ca 0.41 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 1r3t h GLN 186 Cb 0.11 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1r3t h GLN 186 CO -0.16 0.50 -0.02 0.00 -0.67 0.00 0.00 178.83 178.48 1r3t h ALA 187 N 0.77 0.94 -0.17 3.87 0.00 -1.89 0.89 119.26 123.67 1r3t h ALA 187 Ca 0.05 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1r3t h ALA 187 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1r3t h ALA 187 CO 0.01 0.63 -0.02 0.77 0.00 0.00 0.00 179.25 180.64 1r3t h SER 188 N 0.86 -0.12 -0.82 0.00 0.02 -0.89 0.34 113.55 112.94 1r3t h SER 188 Ca 0.15 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1r3t h SER 188 Cb 0.54 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1r3t h SER 188 CO 0.03 -0.03 0.41 0.45 -1.14 0.00 0.00 176.83 176.54 1r3t h HIS 189 N 0.03 1.17 -0.30 3.45 -0.00 -0.57 0.82 115.15 119.75 1r3t h HIS 189 Ca 0.08 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1r3t h HIS 189 Cb 0.11 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.12 1r3t h HIS 189 CO -0.18 0.84 0.10 0.37 -0.00 0.00 0.00 177.93 179.06 1r3t h GLN 190 N 1.17 0.23 -0.37 2.45 4.15 -0.45 0.68 115.11 122.96 1r3t h GLN 190 Ca 0.29 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.63 1r3t h GLN 190 Cb 0.10 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1r3t h GLN 190 CO -0.04 0.15 -0.02 1.25 -1.93 0.00 0.00 178.83 178.24 1r3t h LEU 191 N 0.23 0.67 -1.14 -2.39 5.85 -0.36 -1.27 115.31 116.91 1r3t h LEU 191 Ca 0.14 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1r3t h LEU 191 Cb 0.11 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1r3t h LEU 191 CO -0.14 0.83 0.21 -0.07 -0.34 0.00 0.00 178.44 178.93 1r3t h LEU 192 N 0.49 0.75 -0.47 2.25 3.38 -0.70 -0.57 115.31 120.43 1r3t h LEU 192 Ca 0.10 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1r3t h LEU 192 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1r3t h LEU 192 CO 0.02 0.68 -0.06 -0.09 0.09 0.00 0.00 178.44 179.09 1r3t h ARG 193 N 0.80 0.88 -0.28 1.13 9.65 -0.65 -1.42 114.38 124.49 1r3t h ARG 193 Ca 0.19 -0.31 0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1r3t h ARG 193 Cb 0.18 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 1r3t h ARG 193 CO -0.02 0.95 -0.04 0.82 2.80 0.00 0.00 179.97 184.48 1r3t h ILE 194 N 0.72 0.75 -0.53 1.20 2.04 -0.80 0.63 117.51 121.52 1r3t h ILE 194 Ca 0.13 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1r3t h ILE 194 Cb 0.59 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1r3t h ILE 194 CO 0.04 0.01 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 1r3t h LEU 195 N 0.03 0.63 -0.33 1.44 3.38 -1.03 -1.30 115.31 118.13 1r3t h LEU 195 Ca 0.14 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1r3t h LEU 195 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1r3t h LEU 195 CO -0.27 0.49 0.19 0.74 0.09 0.00 0.00 178.44 179.69 1r3t h THR 196 N 0.71 1.03 0.00 0.22 2.02 -0.88 0.96 112.91 116.96 1r3t h THR 196 Ca 0.19 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1r3t h THR 196 Cb -0.02 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1r3t h THR 196 CO -0.04 0.07 -0.03 0.44 0.37 0.00 0.00 175.52 176.33 1r3t h ASP 197 N 0.39 0.00 0.27 4.18 3.32 -0.57 -1.29 116.42 122.71 1r3t h ASP 197 Ca 0.13 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.84 1r3t h ASP 197 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1r3t h ASP 197 CO -0.06 0.03 -1.67 0.00 -1.72 0.00 0.00 179.24 175.83 1r3t h ALA 198 N 1.97 0.14 -0.36 3.45 0.00 -0.69 -3.39 119.26 120.38 1r3t h ALA 198 Ca -0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 54.91 53.66 1r3t h ALA 198 Cb 0.37 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1r3t h ALA 198 CO 0.00 1.01 -0.36 -0.07 0.00 0.00 0.00 179.25 179.83 1r3t h LEU 199 N 0.10 0.90 0.71 0.00 3.38 -0.23 -2.85 115.31 117.32 1r3t h LEU 199 Ca -0.31 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 1r3t h LEU 199 Cb 2.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1r3t h LEU 199 CO 0.19 1.16 -0.45 0.58 0.09 0.00 0.00 178.44 180.01 1r3t h VAL 200 N 0.70 0.09 -0.21 1.22 2.07 -1.45 0.12 116.25 118.80 1r3t h VAL 200 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1r3t h VAL 200 Cb 0.93 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1r3t h VAL 200 CO 0.09 0.00 0.12 1.55 0.02 0.00 0.00 177.57 179.35 1r3t h PRO 201 N -1.09 0.28 0.06 1.57 0.13 -1.75 -0.52 132.00 130.68 1r3t h PRO 201 Ca -0.09 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1r3t h PRO 201 Cb 0.89 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1r3t h PRO 201 CO 0.08 0.20 -0.03 -0.92 -0.23 0.00 0.00 178.00 177.10 1r3t h TYR 202 N 0.29 -0.08 -0.67 1.56 3.20 -1.22 0.04 116.97 120.09 1r3t h TYR 202 Ca 0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1r3t h TYR 202 Cb -0.00 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1r3t h TYR 202 CO 0.00 0.19 0.24 -0.07 -1.64 0.00 0.00 178.16 176.87 1r3t h LEU 203 N -0.35 0.96 -0.78 2.82 3.38 -0.47 -0.75 115.31 120.12 1r3t h LEU 203 Ca -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1r3t h LEU 203 Cb 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1r3t h LEU 203 CO 0.01 0.89 0.44 0.58 0.09 0.00 0.00 178.44 180.45 1r3t h VAL 204 N 0.97 1.23 -0.52 1.22 2.07 -1.04 -2.28 116.25 117.89 1r3t h VAL 204 Ca 0.22 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1r3t h VAL 204 Cb 0.26 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1r3t h VAL 204 CO -0.01 0.25 0.25 1.23 0.02 0.00 0.00 177.57 179.31 1r3t h GLY 205 N 1.07 0.78 1.04 2.17 0.00 -0.46 -0.09 103.07 107.58 1r3t h GLY 205 Ca 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1r3t h GLY 205 CO -0.05 0.34 0.57 1.46 0.00 0.00 0.00 176.54 178.86 1r3t h GLN 206 N 0.73 1.27 -0.10 4.80 4.20 -0.59 -0.95 115.11 124.48 1r3t h GLN 206 Ca 0.18 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1r3t h GLN 206 Cb 0.08 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.60 1r3t h GLN 206 CO -0.02 0.88 -0.60 0.28 -0.67 0.00 0.00 178.83 178.70 1r3t h VAL 207 N 1.29 1.35 -0.95 -0.54 2.07 -0.97 -0.46 116.25 118.04 1r3t h VAL 207 Ca 0.34 -1.90 0.16 0.00 0.82 0.00 0.00 66.70 66.11 1r3t h VAL 207 Cb -0.06 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1r3t h VAL 207 CO -0.06 0.58 0.60 0.58 0.02 0.00 0.00 177.57 179.29 1r3t h VAL 208 N 0.19 0.79 0.00 2.57 2.07 -0.84 -0.99 116.25 120.05 1r3t h VAL 208 Ca -0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1r3t h VAL 208 Cb 1.25 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1r3t h VAL 208 CO 0.12 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1r3t n ALA 209 N -2.40 2.22 0.00 1.67 0.00 -0.38 -4.89 120.51 116.73 1r3t n ALA 209 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1r3t n ALA 209 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1r3t n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3t n GLY 210 N 1.17 0.12 3.71 0.00 0.00 -0.37 -2.99 105.19 106.81 1r3t n GLY 210 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1r3t n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3t n ALA 211 N 0.00 1.94 0.60 4.61 0.00 -0.22 -4.82 120.51 122.62 1r3t n ALA 211 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1r3t n ALA 211 Cb 0.00 -2.39 0.06 0.00 0.00 0.00 0.00 19.45 17.12 1r3t n ALA 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r3t n GLN 212 N 2.46 1.02 -3.47 0.00 6.02 0.57 -4.51 117.38 119.47 1r3t n GLN 212 Ca 0.11 -1.34 -0.11 0.00 -0.01 0.00 0.00 57.00 55.66 1r3t n GLN 212 Cb 0.34 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 1r3t n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3t s ALA 213 N -1.21 -1.72 -0.02 -1.58 0.00 -1.19 -4.28 121.76 111.75 1r3t s ALA 213 Ca 0.17 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1r3t s ALA 213 Cb 0.12 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1r3t s ALA 213 CO 0.18 -0.69 -0.06 -0.51 0.00 0.00 0.00 175.76 174.69 1r3t s LEU 214 N -2.45 1.74 -0.08 0.00 1.43 -0.74 -0.76 118.68 117.83 1r3t s LEU 214 Ca 0.02 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1r3t s LEU 214 Cb -0.01 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1r3t s LEU 214 CO -0.09 0.03 -0.20 -1.58 0.23 0.00 0.00 176.35 174.74 1r3t s GLN 215 N 0.26 2.54 -0.24 1.70 0.74 -0.19 -0.40 119.66 124.06 1r3t s GLN 215 Ca -0.03 -0.73 -0.09 0.00 0.05 0.00 0.00 55.36 54.56 1r3t s GLN 215 Cb -0.07 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 32.01 1r3t s GLN 215 CO -0.00 0.16 0.13 -1.17 -0.55 0.00 0.00 175.29 173.85 1r3t s LEU 216 N 0.37 3.84 -0.47 3.68 2.96 0.21 -2.31 118.68 126.97 1r3t s LEU 216 Ca -0.16 -0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 1r3t s LEU 216 Cb -0.17 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.55 1r3t s LEU 216 CO 0.07 0.02 0.47 -0.36 -1.32 0.00 0.00 176.35 175.23 1r3t s PHE 217 N 1.29 3.17 -1.17 5.38 0.40 -0.09 -1.82 117.98 125.14 1r3t s PHE 217 Ca 0.06 -0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 55.65 1r3t s PHE 217 Cb -0.14 -3.20 0.23 0.00 0.51 0.00 0.00 43.02 40.42 1r3t s PHE 217 CO 0.05 -0.84 1.90 -1.91 0.70 0.00 0.00 175.22 175.12 1r3t n GLU 218 N 5.56 4.61 0.28 0.44 4.07 0.34 -0.84 120.64 135.10 1r3t n GLU 218 Ca -0.10 -4.09 0.14 0.00 -0.06 0.00 0.00 57.16 53.05 1r3t n GLU 218 Cb 0.45 -2.62 0.84 0.00 -0.06 0.00 0.00 31.44 30.06 1r3t n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1r3t h SER 219 N 4.94 0.00 -0.50 4.31 0.02 -1.89 -2.59 113.55 117.84 1r3t h SER 219 Ca 0.47 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.23 1r3t h SER 219 Cb 0.45 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 1r3t h SER 219 CO 1.39 0.05 0.12 1.41 -1.14 0.00 0.00 176.83 178.66 1r3t n HIS 220 N -3.77 1.62 -0.17 3.45 8.25 -1.26 -4.43 115.22 118.90 1r3t n HIS 220 Ca -0.03 -1.36 0.01 0.00 -0.26 0.00 0.00 57.72 56.08 1r3t n HIS 220 Cb 0.14 -0.55 0.27 0.00 1.12 0.00 0.00 29.99 30.97 1r3t n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3t h ALA 221 N 1.57 1.46 0.00 -1.41 0.00 -1.56 -3.13 119.26 116.19 1r3t h ALA 221 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1r3t h ALA 221 Cb 1.92 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1r3t h ALA 221 CO 0.52 0.47 -0.08 0.78 0.00 0.00 0.00 179.25 180.93 1r3t h GLY 222 N 0.93 0.00 2.00 0.00 0.00 -1.62 -2.38 103.07 102.01 1r3t h GLY 222 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1r3t h GLY 222 CO -0.05 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.94 1r3t h HIS 223 N 0.00 0.00 0.00 5.60 3.86 -1.87 -3.37 115.15 119.38 1r3t h HIS 223 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1r3t h HIS 223 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1r3t h HIS 223 CO 0.00 0.00 -0.24 -0.07 0.86 0.00 0.00 177.93 178.48 1r3t h LEU 224 N 0.00 0.00 -0.03 2.43 3.38 -1.63 -3.51 115.31 115.95 1r3t h LEU 224 Ca 0.00 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 57.18 1r3t h LEU 224 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1r3t h LEU 224 CO 0.00 1.04 -0.07 0.61 0.09 0.00 0.00 178.44 180.11 1r3t n GLY 225 N 1.59 -2.54 0.34 0.83 0.00 -1.26 -4.40 105.19 99.75 1r3t n GLY 225 Ca -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 1r3t n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3t h PRO 226 N -0.08 1.17 -0.18 1.61 0.11 -1.96 -0.85 132.00 131.81 1r3t h PRO 226 Ca -0.01 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 1r3t h PRO 226 Cb 0.08 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1r3t h PRO 226 CO 0.00 0.82 0.00 1.96 -0.21 0.00 0.00 178.00 180.57 1r3t h GLN 227 N 1.18 0.31 -0.14 1.05 4.20 -2.00 -1.15 115.11 118.57 1r3t h GLN 227 Ca 0.31 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.74 1r3t h GLN 227 Cb -0.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1r3t h GLN 227 CO -0.06 0.52 -0.67 -0.07 -0.67 0.00 0.00 178.83 177.88 1r3t h LEU 228 N 0.06 0.63 -0.68 1.46 3.38 -1.73 -2.39 115.31 116.04 1r3t h LEU 228 Ca 0.05 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1r3t h LEU 228 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1r3t h LEU 228 CO 0.01 1.12 0.37 0.15 0.09 0.00 0.00 178.44 180.18 1r3t h PHE 229 N 0.39 0.93 -0.08 1.13 3.57 -1.04 -0.16 116.94 121.69 1r3t h PHE 229 Ca -0.02 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1r3t h PHE 229 Cb 1.24 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1r3t h PHE 229 CO 0.05 0.67 -0.34 -0.91 -2.23 0.00 0.00 178.31 175.55 1r3t h ASN 230 N 0.93 0.15 0.12 0.41 2.35 -1.11 0.13 115.58 118.56 1r3t h ASN 230 Ca 0.24 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.76 1r3t h ASN 230 Cb 0.04 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1r3t h ASN 230 CO -0.04 0.48 -0.78 0.11 -1.65 0.00 0.00 177.43 175.56 1r3t h LYS 231 N 0.13 0.30 0.00 0.81 1.57 -1.09 -3.38 116.57 114.92 1r3t h LYS 231 Ca 0.02 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1r3t h LYS 231 Cb 0.67 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1r3t h LYS 231 CO 0.05 1.23 -1.19 1.19 -0.57 0.00 0.00 179.45 180.16 1r3t n PHE 232 N -4.14 0.00 -0.12 -1.35 3.01 -0.10 -4.70 117.46 110.05 1r3t n PHE 232 Ca -0.13 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.07 1r3t n PHE 232 Cb 0.80 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 1r3t n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3t n ALA 233 N -1.85 1.32 -0.22 4.37 0.00 -0.45 -4.70 120.51 118.98 1r3t n ALA 233 Ca -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.38 1r3t n ALA 233 Cb 0.33 0.16 0.07 0.00 0.00 0.00 0.00 19.45 20.01 1r3t n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r3t h LEU 234 N -0.92 0.59 -1.15 0.00 5.85 -1.01 -2.02 115.31 116.66 1r3t h LEU 234 Ca -0.59 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.20 1r3t h LEU 234 Cb 1.51 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 1r3t h LEU 234 CO -0.36 0.41 0.59 -0.65 -0.34 0.00 0.00 178.44 178.08 1r3t h PRO 235 N 0.72 0.99 0.08 5.25 0.11 -1.82 -1.24 132.00 136.09 1r3t h PRO 235 Ca 0.26 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1r3t h PRO 235 Cb 0.07 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1r3t h PRO 235 CO -0.13 0.66 -1.14 1.88 -0.21 0.00 0.00 178.00 179.06 1r3t h TYR 236 N 1.02 0.31 -0.24 0.65 -1.99 -1.78 -1.36 116.97 113.58 1r3t h TYR 236 Ca 0.39 -0.22 0.04 0.00 2.00 0.00 0.00 58.73 60.94 1r3t h TYR 236 Cb 0.20 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 1r3t h TYR 236 CO -0.00 1.17 -0.02 0.82 -0.00 0.00 0.00 178.16 180.12 1r3t h ILE 237 N 0.05 0.80 -0.43 -2.88 2.04 -0.94 -0.96 117.51 115.19 1r3t h ILE 237 Ca -0.09 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1r3t h ILE 237 Cb 1.88 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1r3t h ILE 237 CO 0.17 0.01 0.28 0.03 0.00 0.00 0.00 178.15 178.64 1r3t h ARG 238 N 0.04 0.57 -0.77 2.37 3.08 -1.15 -2.86 114.38 115.66 1r3t h ARG 238 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1r3t h ARG 238 Cb 0.16 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1r3t h ARG 238 CO -0.21 0.40 0.34 -0.44 -1.07 0.00 0.00 179.97 178.99 1r3t h ASP 239 N 0.58 1.03 0.04 7.04 3.45 -0.93 -1.64 116.42 125.99 1r3t h ASP 239 Ca 0.16 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1r3t h ASP 239 Cb -0.04 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.46 1r3t h ASP 239 CO -0.03 0.89 -0.04 0.58 -1.57 0.00 0.00 179.24 179.07 1r3t h VAL 240 N 1.11 0.92 -0.33 -1.35 2.07 -0.97 -0.18 116.25 117.52 1r3t h VAL 240 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1r3t h VAL 240 Cb 0.15 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1r3t h VAL 240 CO -0.03 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.77 1r3t h ALA 241 N 0.87 0.42 -0.33 1.67 0.00 -1.34 -0.45 119.26 120.11 1r3t h ALA 241 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1r3t h ALA 241 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1r3t h ALA 241 CO -0.01 -0.09 0.06 -0.22 0.00 0.00 0.00 179.25 178.99 1r3t h LYS 242 N 0.43 0.55 -0.11 0.00 3.64 -0.99 -2.35 116.57 117.74 1r3t h LYS 242 Ca 0.12 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1r3t h LYS 242 Cb -0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1r3t h LYS 242 CO -0.02 0.62 -0.74 1.96 -2.27 0.00 0.00 179.45 179.00 1r3t h GLN 243 N 0.38 0.54 -0.36 1.90 4.20 -0.94 -1.59 115.11 119.24 1r3t h GLN 243 Ca 0.10 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1r3t h GLN 243 Cb 0.34 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1r3t h GLN 243 CO 0.01 1.07 0.20 0.28 -0.67 0.00 0.00 178.83 179.71 1r3t h VAL 244 N 0.37 1.14 -0.72 -0.54 2.07 -1.04 -1.47 116.25 116.06 1r3t h VAL 244 Ca -0.04 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1r3t h VAL 244 Cb 1.34 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1r3t h VAL 244 CO 0.14 0.14 0.25 0.11 0.02 0.00 0.00 177.57 178.23 1r3t h LYS 245 N 0.46 1.10 -0.06 1.57 1.57 -1.31 -2.09 116.57 117.81 1r3t h LYS 245 Ca 0.13 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1r3t h LYS 245 Cb 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1r3t h LYS 245 CO -0.02 0.92 0.03 0.00 -0.57 0.00 0.00 179.45 179.81 1r3t h ALA 246 N 1.20 0.07 -0.64 3.86 0.00 -1.03 -1.85 119.26 120.88 1r3t h ALA 246 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1r3t h ALA 246 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1r3t h ALA 246 CO -0.01 -0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.08 1r3t h ARG 247 N -0.01 0.96 -0.16 0.00 3.08 -1.15 -1.26 114.38 115.85 1r3t h ARG 247 Ca 0.02 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1r3t h ARG 247 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1r3t h ARG 247 CO -0.00 0.81 0.01 -0.07 -1.07 0.00 0.00 179.97 179.66 1r3t h LEU 248 N 0.94 0.26 -0.19 3.04 3.38 -1.16 -1.47 115.31 120.12 1r3t h LEU 248 Ca 0.21 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1r3t h LEU 248 Cb 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1r3t h LEU 248 CO -0.01 0.48 -0.21 0.03 0.09 0.00 0.00 178.44 178.81 1r3t h ARG 249 N 0.04 -0.24 0.00 1.13 3.08 -1.18 -1.68 114.38 115.53 1r3t h ARG 249 Ca 0.05 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1r3t h ARG 249 Cb 0.34 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1r3t h ARG 249 CO 0.01 -0.16 -0.07 0.93 -1.07 0.00 0.00 179.97 179.61 1r3t h GLU 250 N -0.24 0.00 -0.00 0.04 5.08 -1.06 0.06 114.58 118.45 1r3t h GLU 250 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1r3t h GLU 250 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1r3t h GLU 250 CO -0.33 0.07 -0.06 0.00 -1.00 0.00 0.00 179.01 177.69 1r3t n ALA 251 N -2.30 2.70 -0.82 3.43 0.00 -0.57 -4.91 120.51 118.03 1r3t n ALA 251 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1r3t n ALA 251 Cb 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1r3t n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3t n GLY 252 N 1.19 0.50 3.83 0.00 0.00 0.01 -5.05 105.19 105.67 1r3t n GLY 252 Ca 0.18 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 1r3t n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3t s LEU 253 N 0.00 3.75 0.35 0.99 1.43 -0.70 -5.03 118.68 119.48 1r3t s LEU 253 Ca 0.00 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 1r3t s LEU 253 Cb 0.00 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.82 1r3t s LEU 253 CO 0.00 -0.14 0.79 0.00 0.23 0.00 0.00 176.35 177.23 1r3t s ALA 254 N -2.19 3.26 0.74 4.21 0.00 -1.26 -3.96 121.76 122.56 1r3t s ALA 254 Ca 0.35 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1r3t s ALA 254 Cb -0.07 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.23 1r3t s ALA 254 CO 0.25 0.26 1.10 -1.25 0.00 0.00 0.00 175.76 176.12 1r3t s PRO 255 N -3.10 2.39 0.23 0.00 0.04 -1.26 -4.94 135.00 128.36 1r3t s PRO 255 Ca 0.56 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.95 1r3t s PRO 255 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1r3t s PRO 255 CO 0.17 -1.55 -0.18 0.14 0.04 0.00 0.00 177.00 175.62 1r3t s VAL 256 N -2.74 2.64 0.33 -0.36 -7.23 -1.26 -5.06 120.40 106.72 1r3t s VAL 256 Ca 0.63 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1r3t s VAL 256 Cb -0.18 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 1r3t s VAL 256 CO 0.52 -0.25 1.41 -2.16 -0.31 0.00 0.00 175.10 174.32 1r3t s PRO 257 N -3.11 4.24 -0.07 4.82 0.04 -1.26 -4.86 135.00 134.80 1r3t s PRO 257 Ca 0.26 2.38 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1r3t s PRO 257 Cb -0.07 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1r3t s PRO 257 CO 0.14 -0.38 -0.20 -1.64 0.04 0.00 0.00 177.00 174.95 1r3t s MET 258 N -1.56 2.66 -0.12 4.56 -1.94 -1.26 -1.79 119.30 119.86 1r3t s MET 258 Ca 0.53 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 1r3t s MET 258 Cb -0.43 -2.29 -0.01 0.00 2.01 0.00 0.00 34.83 34.11 1r3t s MET 258 CO 0.55 0.42 -0.17 0.42 -0.01 0.00 0.00 175.02 176.23 1r3t s ILE 259 N -0.23 2.73 -0.23 2.53 1.01 0.46 -1.44 121.20 126.03 1r3t s ILE 259 Ca -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1r3t s ILE 259 Cb -0.13 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1r3t s ILE 259 CO 0.03 0.54 0.02 -0.51 0.00 0.00 0.00 174.94 175.02 1r3t s ILE 260 N 0.35 4.01 -0.35 2.92 1.10 -0.44 -0.62 121.20 128.17 1r3t s ILE 260 Ca -0.14 -0.28 0.01 0.00 -0.51 0.00 0.00 60.65 59.73 1r3t s ILE 260 Cb -0.17 -2.85 0.09 0.00 0.15 0.00 0.00 42.46 39.69 1r3t s ILE 260 CO 0.07 0.39 0.08 0.12 -2.11 0.00 0.00 174.94 173.49 1r3t s PHE 261 N 1.36 3.58 -0.55 3.50 5.36 -0.76 -0.18 117.98 130.30 1r3t s PHE 261 Ca 0.05 -2.55 -0.13 0.00 -0.96 0.00 0.00 56.93 53.34 1r3t s PHE 261 Cb -0.15 -2.81 0.14 0.00 -0.34 0.00 0.00 43.02 39.86 1r3t s PHE 261 CO 0.02 -0.93 0.47 0.00 -1.46 0.00 0.00 175.22 173.31 1r3t s ALA 262 N 1.06 3.59 0.25 11.12 0.00 -1.26 -0.50 121.76 136.02 1r3t s ALA 262 Ca 0.06 -2.66 -0.30 0.00 0.00 0.00 0.00 51.96 49.06 1r3t s ALA 262 Cb -0.21 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1r3t s ALA 262 CO -0.05 -2.01 1.32 0.21 0.00 0.00 0.00 175.76 175.23 1r3t s LYS 263 N 1.28 4.37 -1.85 0.00 2.20 -1.00 -1.58 119.74 123.16 1r3t s LYS 263 Ca 0.06 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 1r3t s LYS 263 Cb -0.26 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1r3t s LYS 263 CO -0.00 -0.24 0.00 -0.25 -0.36 0.00 0.00 175.35 174.50 1r3t n ASP 264 N 1.95 -5.34 -2.18 1.43 8.00 -1.26 -2.65 116.55 116.51 1r3t n ASP 264 Ca 0.04 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.57 1r3t n ASP 264 Cb 0.42 -4.46 0.14 0.00 -0.02 0.00 0.00 41.12 37.20 1r3t n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3t n GLY 265 N -0.80 4.71 0.38 0.44 0.00 -0.61 -3.90 105.19 105.41 1r3t n GLY 265 Ca -0.20 -1.35 0.20 0.00 0.00 0.00 0.00 46.02 44.66 1r3t n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r3t h HIS 266 N 1.23 0.81 0.00 1.61 2.07 -1.91 -1.09 115.15 117.87 1r3t h HIS 266 Ca 0.58 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 1r3t h HIS 266 Cb 2.15 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.89 1r3t h HIS 266 CO 1.44 0.08 0.00 1.97 -3.07 0.00 0.00 177.93 178.35 1r3t n PHE 267 N -4.72 0.33 0.04 6.12 1.16 -1.26 -3.20 117.46 115.94 1r3t n PHE 267 Ca 0.25 0.13 0.03 0.00 -1.87 0.00 0.00 57.45 56.00 1r3t n PHE 267 Cb 0.80 -0.71 0.07 0.00 -1.61 0.00 0.00 39.48 38.03 1r3t n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3t n ALA 268 N -1.61 2.25 -0.27 1.98 0.00 -0.41 -4.74 120.51 117.70 1r3t n ALA 268 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 1r3t n ALA 268 Cb 0.20 -0.25 0.12 0.00 0.00 0.00 0.00 19.45 19.51 1r3t n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r3t h LEU 269 N 1.27 1.03 -0.59 0.00 3.38 -1.57 0.20 115.31 119.02 1r3t h LEU 269 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1r3t h LEU 269 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1r3t h LEU 269 CO 0.00 0.87 0.14 -0.08 0.09 0.00 0.00 178.44 179.46 1r3t h GLU 270 N 1.12 0.95 -0.29 1.13 4.81 -1.85 -1.66 114.58 118.80 1r3t h GLU 270 Ca 0.27 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1r3t h GLU 270 Cb 0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1r3t h GLU 270 CO -0.03 0.88 -0.43 0.93 -0.73 0.00 0.00 179.01 179.63 1r3t h GLU 271 N 0.86 0.71 -0.15 1.92 4.39 -1.70 -3.09 114.58 117.53 1r3t h GLU 271 Ca 0.18 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1r3t h GLU 271 Cb 0.36 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1r3t h GLU 271 CO 0.00 1.00 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.66 1r3t h LEU 272 N 0.58 0.22 -1.02 1.33 3.38 -0.32 -1.57 115.31 117.91 1r3t h LEU 272 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r3t h LEU 272 Cb 0.97 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1r3t h LEU 272 CO 0.09 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1r3t h ALA 273 N 1.65 1.00 -0.02 1.53 0.00 -1.22 -2.47 119.26 119.73 1r3t h ALA 273 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r3t h ALA 273 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1r3t h ALA 273 CO 0.02 0.00 -0.16 1.04 0.00 0.00 0.00 179.25 180.15 1r3t n GLN 274 N -2.38 1.62 -0.02 0.00 6.02 -0.61 -4.68 117.38 117.34 1r3t n GLN 274 Ca 0.01 -1.32 0.13 0.00 -0.01 0.00 0.00 57.00 55.81 1r3t n GLN 274 Cb 0.20 -1.36 0.61 0.00 1.02 0.00 0.00 30.24 30.71 1r3t n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3t n ALA 275 N 0.59 2.60 -0.59 -1.58 0.00 -0.93 -4.88 120.51 115.72 1r3t n ALA 275 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1r3t n ALA 275 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1r3t n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3t n GLY 276 N 1.07 0.95 3.63 0.00 0.00 -1.26 -4.44 105.19 105.15 1r3t n GLY 276 Ca 0.19 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1r3t n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r3t s TYR 277 N -2.00 3.10 0.32 1.61 1.51 -1.26 -4.86 117.35 115.77 1r3t s TYR 277 Ca 0.00 0.07 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1r3t s TYR 277 Cb 0.00 -1.82 0.55 0.00 -0.11 0.00 0.00 41.96 40.58 1r3t s TYR 277 CO 0.00 0.34 1.76 0.93 -1.11 0.00 0.00 175.55 177.47 1r3t h GLU 278 N 5.52 0.22 -4.98 -0.62 3.07 -1.58 -3.44 114.58 112.78 1r3t h GLU 278 Ca -0.46 -0.09 -0.48 0.00 -0.50 0.00 0.00 59.36 57.83 1r3t h GLU 278 Cb 1.19 -0.01 -0.30 0.00 -0.84 0.00 0.00 28.75 28.78 1r3t h GLU 278 CO 0.56 0.54 -0.81 0.08 -1.40 0.00 0.00 179.01 177.99 1r3t s VAL 279 N -4.28 1.06 -0.23 3.13 1.01 -0.88 -1.60 120.40 118.60 1r3t s VAL 279 Ca -0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1r3t s VAL 279 Cb 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1r3t s VAL 279 CO 0.76 0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 175.39 1r3t s VAL 280 N 0.01 2.72 0.25 2.92 1.01 -0.28 -1.33 120.40 125.71 1r3t s VAL 280 Ca -0.01 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1r3t s VAL 280 Cb -0.09 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1r3t s VAL 280 CO 0.01 0.29 0.77 -0.83 0.00 0.00 0.00 175.10 175.34 1r3t s GLY 281 N 1.33 2.64 0.03 4.51 0.00 0.75 -1.36 107.32 115.22 1r3t s GLY 281 Ca 0.02 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1r3t s GLY 281 CO -0.06 0.61 -0.20 1.08 0.00 0.00 0.00 173.10 174.52 1r3t s LEU 282 N -2.03 2.13 0.84 0.66 1.43 -0.08 -4.17 118.68 117.45 1r3t s LEU 282 Ca 0.45 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1r3t s LEU 282 Cb -0.17 -0.98 0.15 0.00 0.03 0.00 0.00 46.19 45.22 1r3t s LEU 282 CO 0.21 0.18 1.17 1.51 0.23 0.00 0.00 176.35 179.65 1r3t s ASP 283 N -0.98 3.86 0.00 2.29 1.47 -1.26 -4.44 116.67 117.61 1r3t s ASP 283 Ca 0.07 0.17 0.30 0.00 1.18 0.00 0.00 52.55 54.28 1r3t s ASP 283 Cb -0.08 -0.45 1.54 0.00 -0.34 0.00 0.00 42.92 43.59 1r3t s ASP 283 CO 0.01 -2.23 2.04 -2.67 0.68 0.00 0.00 175.17 173.00 1r3t n TRP 284 N -3.33 0.00 0.74 2.11 2.14 -1.23 -3.46 117.44 114.41 1r3t n TRP 284 Ca 0.13 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.83 1r3t n TRP 284 Cb 0.60 -0.13 0.28 0.00 -0.81 0.00 0.00 31.31 31.24 1r3t n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1r3t n THR 285 N -0.97 0.25 -3.41 -1.67 -2.24 -1.26 -4.76 114.28 100.22 1r3t n THR 285 Ca 0.18 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 1r3t n THR 285 Cb 0.21 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 1r3t n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r3t s VAL 286 N -3.09 5.19 0.19 2.28 1.01 -1.22 -5.05 120.40 119.71 1r3t s VAL 286 Ca 0.09 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 1r3t s VAL 286 Cb 0.15 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1r3t s VAL 286 CO 0.68 0.19 1.49 0.00 0.00 0.00 0.00 175.10 177.45 1r3t s ALA 287 N 1.83 3.69 0.26 5.51 0.00 -1.26 -4.85 121.76 126.93 1r3t s ALA 287 Ca 0.15 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1r3t s ALA 287 Cb -0.15 -3.58 0.55 0.00 0.00 0.00 0.00 23.12 19.93 1r3t s ALA 287 CO 0.09 -0.74 1.72 -1.35 0.00 0.00 0.00 175.76 175.49 1r3t h PRO 288 N 6.08 0.45 -0.27 0.00 0.11 -1.95 -0.35 132.00 136.07 1r3t h PRO 288 Ca -0.44 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1r3t h PRO 288 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1r3t h PRO 288 CO 0.85 0.30 -0.09 0.87 -0.21 0.00 0.00 178.00 179.72 1r3t h LYS 289 N 0.46 0.43 -0.19 1.05 1.57 -1.91 -0.88 116.57 117.09 1r3t h LYS 289 Ca 0.46 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.93 1r3t h LYS 289 Cb 0.75 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.01 1r3t h LYS 289 CO -0.44 0.53 -0.69 0.87 -0.57 0.00 0.00 179.45 179.15 1r3t h LYS 290 N 0.40 0.77 -0.57 3.15 1.57 -1.50 -2.61 116.57 117.78 1r3t h LYS 290 Ca 0.08 -0.58 0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1r3t h LYS 290 Cb 0.41 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1r3t h LYS 290 CO 0.02 1.19 0.26 0.00 -0.57 0.00 0.00 179.45 180.36 1r3t h ALA 291 N 0.66 0.74 -0.76 3.86 0.00 -0.75 -1.62 119.26 121.38 1r3t h ALA 291 Ca -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r3t h ALA 291 Cb 1.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1r3t h ALA 291 CO 0.14 -0.11 0.35 -0.09 0.00 0.00 0.00 179.25 179.54 1r3t h ARG 292 N 0.49 1.10 -0.69 0.00 9.65 -1.05 -0.92 114.38 122.96 1r3t h ARG 292 Ca 0.27 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1r3t h ARG 292 Cb 0.24 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 1r3t h ARG 292 CO -0.22 0.86 0.42 0.93 2.80 0.00 0.00 179.97 184.76 1r3t h GLU 293 N 1.09 0.93 -0.30 0.20 5.08 -1.07 -1.27 114.58 119.23 1r3t h GLU 293 Ca 0.26 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1r3t h GLU 293 Cb 0.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1r3t h GLU 293 CO -0.03 0.66 -0.01 0.00 -1.00 0.00 0.00 179.01 178.63 1r3t h VAL 295 N 0.33 0.22 0.00 0.00 -1.51 -1.13 -3.36 116.25 110.79 1r3t h VAL 295 Ca 0.09 -1.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1r3t h VAL 295 Cb 0.45 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1r3t h VAL 295 CO 0.02 0.12 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1r3t n GLY 296 N 1.25 -1.80 0.93 5.19 0.00 -0.49 -4.68 105.19 105.60 1r3t n GLY 296 Ca -0.03 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.49 1r3t n GLY 296 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r3t n LYS 297 N 0.00 2.12 -0.10 1.61 4.81 -1.26 -4.48 118.16 120.85 1r3t n LYS 297 Ca 0.00 -1.95 -0.19 0.00 -0.87 0.00 0.00 58.31 55.31 1r3t n LYS 297 Cb 0.00 -1.43 -0.08 0.00 0.02 0.00 0.00 35.03 33.54 1r3t n LYS 297 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r3t n THR 298 N 1.23 1.50 -2.00 3.15 -2.24 -1.26 -4.98 114.28 109.69 1r3t n THR 298 Ca 0.15 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 1r3t n THR 298 Cb 0.54 -2.11 0.02 0.00 -2.10 0.00 0.00 70.33 66.67 1r3t n THR 298 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1r3t s VAL 299 N -2.43 3.37 0.10 2.28 -7.23 -1.26 -4.86 120.40 110.38 1r3t s VAL 299 Ca -0.28 0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 1r3t s VAL 299 Cb 0.07 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 1r3t s VAL 299 CO 0.47 -0.33 0.70 -0.89 -0.31 0.00 0.00 175.10 174.74 1r3t s THR 300 N -2.19 4.59 0.04 5.32 2.01 -0.63 -4.94 115.64 119.84 1r3t s THR 300 Ca 0.68 1.52 -0.07 0.00 0.31 0.00 0.00 61.69 64.12 1r3t s THR 300 Cb -0.20 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1r3t s THR 300 CO 0.35 0.49 0.32 -0.76 -0.69 0.00 0.00 174.62 174.33 1r3t s LEU 301 N -0.82 4.35 -0.04 4.42 1.43 -0.60 -1.12 118.68 126.30 1r3t s LEU 301 Ca 0.34 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1r3t s LEU 301 Cb -0.21 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 1r3t s LEU 301 CO 0.23 0.21 -0.18 -1.58 0.23 0.00 0.00 176.35 175.26 1r3t s GLN 302 N -1.90 1.79 0.00 1.70 0.74 -0.46 -1.21 119.66 120.32 1r3t s GLN 302 Ca 0.31 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.09 1r3t s GLN 302 Cb -0.13 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.41 1r3t s GLN 302 CO 0.18 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 1r3t n GLY 303 N 3.09 0.94 1.36 2.59 0.00 -0.62 -0.90 105.19 111.64 1r3t n GLY 303 Ca -0.18 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1r3t n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r3t n ASN 304 N 0.00 0.35 -4.73 1.61 6.94 -0.65 -2.23 115.26 116.56 1r3t n ASN 304 Ca 0.00 -2.00 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 1r3t n ASN 304 Cb 0.00 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 1r3t n ASN 304 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r3t s LEU 305 N -0.05 4.36 -0.42 -4.53 2.96 -0.92 -3.36 118.68 116.72 1r3t s LEU 305 Ca 0.23 2.90 -0.45 0.00 -0.22 0.00 0.00 54.13 56.59 1r3t s LEU 305 Cb 0.26 -3.61 -0.19 0.00 0.50 0.00 0.00 46.19 43.16 1r3t s LEU 305 CO -0.11 -0.97 1.64 -0.67 -1.32 0.00 0.00 176.35 174.91 1r3t n ASP 306 N 3.56 1.56 0.07 3.68 2.03 -1.26 -0.32 116.55 125.87 1r3t n ASP 306 Ca 0.14 1.15 0.10 0.00 0.52 0.00 0.00 54.79 56.71 1r3t n ASP 306 Cb 0.36 -0.96 0.56 0.00 -0.72 0.00 0.00 41.12 40.36 1r3t n ASP 306 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r3t h PRO 307 N 5.66 0.22 0.00 -0.67 0.13 -1.89 -0.85 132.00 134.61 1r3t h PRO 307 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1r3t h PRO 307 Cb 1.35 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1r3t h PRO 307 CO 0.97 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.89 1r3t h ALA 309 N 2.27 1.52 0.00 0.00 0.00 -1.50 -1.41 119.26 120.15 1r3t h ALA 309 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r3t h ALA 309 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r3t h ALA 309 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1r3t n LEU 310 N -3.88 0.00 0.21 0.00 4.77 -0.80 -1.25 117.00 116.06 1r3t n LEU 310 Ca -0.03 0.49 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1r3t n LEU 310 Cb 0.11 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.17 1r3t n LEU 310 CO 0.28 -0.25 0.90 1.88 -1.33 0.00 0.00 177.39 178.88 1r3t h TYR 311 N 0.00 0.00 -3.96 -1.77 0.99 -1.47 -3.44 116.97 107.32 1r3t h TYR 311 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 1r3t h TYR 311 Cb 0.24 0.00 0.16 0.00 1.00 0.00 0.00 36.73 38.13 1r3t h TYR 311 CO 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 178.16 178.37 1r3t s ALA 312 N -3.39 1.20 0.81 3.88 0.00 -0.38 -5.01 121.76 118.88 1r3t s ALA 312 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1r3t s ALA 312 Cb 0.08 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 20.12 1r3t s ALA 312 CO 0.56 -2.63 1.15 -1.54 0.00 0.00 0.00 175.76 173.30 1r3t s SER 313 N -3.36 3.80 0.28 0.00 1.04 -1.26 -4.76 113.70 109.44 1r3t s SER 313 Ca 0.64 2.13 0.01 0.00 0.48 0.00 0.00 55.95 59.21 1r3t s SER 313 Cb -0.19 -2.56 0.55 0.00 0.10 0.00 0.00 66.02 63.92 1r3t s SER 313 CO 0.58 -2.51 1.85 -0.33 0.98 0.00 0.00 173.24 173.80 1r3t h GLU 314 N -1.14 0.98 -0.34 4.02 5.08 -1.95 0.11 114.58 121.34 1r3t h GLU 314 Ca -0.45 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1r3t h GLU 314 Cb 1.26 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1r3t h GLU 314 CO 0.47 0.65 0.20 1.49 -1.00 0.00 0.00 179.01 180.82 1r3t h GLU 315 N 1.01 0.47 -0.77 2.33 4.81 -2.00 -1.71 114.58 118.72 1r3t h GLU 315 Ca 0.49 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1r3t h GLU 315 Cb 0.45 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1r3t h GLU 315 CO -0.25 0.36 0.36 0.93 -0.73 0.00 0.00 179.01 179.68 1r3t h GLU 316 N 0.44 1.12 -0.58 1.92 5.08 -1.65 -2.35 114.58 118.56 1r3t h GLU 316 Ca 0.12 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1r3t h GLU 316 Cb 0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1r3t h GLU 316 CO -0.02 0.88 0.38 0.82 -1.00 0.00 0.00 179.01 180.07 1r3t h ILE 317 N 1.10 1.13 -0.88 3.13 2.04 -0.82 -0.98 117.51 122.23 1r3t h ILE 317 Ca 0.26 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1r3t h ILE 317 Cb 0.14 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1r3t h ILE 317 CO -0.03 0.14 0.55 1.23 0.00 0.00 0.00 178.15 180.04 1r3t h GLY 318 N 0.77 1.33 1.07 5.37 0.00 -0.94 0.22 103.07 110.89 1r3t h GLY 318 Ca 0.22 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1r3t h GLY 318 CO -0.06 0.27 -0.31 1.46 0.00 0.00 0.00 176.54 177.91 1r3t h GLN 319 N 1.00 0.87 -0.51 4.80 4.20 -0.90 -1.20 115.11 123.36 1r3t h GLN 319 Ca 0.38 -0.43 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1r3t h GLN 319 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1r3t h GLN 319 CO -0.17 1.08 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.91 1r3t h LEU 320 N 0.67 0.93 -0.29 1.46 3.38 -0.86 -1.83 115.31 118.77 1r3t h LEU 320 Ca 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1r3t h LEU 320 Cb 0.89 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1r3t h LEU 320 CO 0.08 1.04 0.06 0.58 0.09 0.00 0.00 178.44 180.29 1r3t h VAL 321 N 0.85 1.22 -0.47 1.22 2.07 -0.89 -0.16 116.25 120.08 1r3t h VAL 321 Ca 0.14 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 67.00 1r3t h VAL 321 Cb 0.62 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1r3t h VAL 321 CO 0.04 0.24 0.09 0.50 0.02 0.00 0.00 177.57 178.47 1r3t h LYS 322 N 0.31 0.22 -0.61 1.57 3.64 -0.99 -0.57 116.57 120.14 1r3t h LYS 322 Ca 0.09 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1r3t h LYS 322 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1r3t h LYS 322 CO 0.00 0.15 0.10 0.37 -2.27 0.00 0.00 179.45 177.80 1r3t h GLN 323 N 0.23 1.01 -0.27 1.90 5.75 -1.10 -0.80 115.11 121.83 1r3t h GLN 323 Ca 0.23 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1r3t h GLN 323 Cb 0.31 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1r3t h GLN 323 CO -0.31 0.95 0.16 1.98 -2.65 0.00 0.00 178.83 178.96 1r3t h MET 324 N 0.92 0.36 -0.17 1.69 4.05 -0.64 -2.04 114.93 119.10 1r3t h MET 324 Ca 0.19 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1r3t h MET 324 Cb 0.42 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1r3t h MET 324 CO 0.01 0.28 -0.22 -0.07 0.23 0.00 0.00 176.91 177.14 1r3t h LEU 325 N 0.34 0.30 -0.99 3.39 4.07 -0.93 -2.09 115.31 119.40 1r3t h LEU 325 Ca 0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1r3t h LEU 325 Cb 0.01 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1r3t h LEU 325 CO -0.02 0.53 0.36 0.44 -1.08 0.00 0.00 178.44 178.68 1r3t h ASP 326 N 0.28 0.98 -0.40 -0.43 3.32 -0.75 -1.95 116.42 117.47 1r3t h ASP 326 Ca 0.05 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 1r3t h ASP 326 Cb 0.55 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1r3t h ASP 326 CO 0.04 0.83 -0.31 0.44 -1.72 0.00 0.00 179.24 178.51 1r3t h ASP 327 N 1.07 0.96 0.73 6.45 5.19 -0.82 -3.21 116.42 126.79 1r3t h ASP 327 Ca 0.26 -0.44 -0.19 0.00 -0.62 0.00 0.00 57.03 56.04 1r3t h ASP 327 Cb 0.11 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1r3t h ASP 327 CO -0.03 1.21 -0.86 -0.26 -3.12 0.00 0.00 179.24 176.17 1r3t h PHE 328 N 0.73 0.13 -1.30 4.55 -1.00 -1.28 -3.39 116.94 115.39 1r3t h PHE 328 Ca 0.07 -0.08 0.14 0.00 2.81 0.00 0.00 57.97 60.92 1r3t h PHE 328 Cb 0.90 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.39 1r3t h PHE 328 CO 0.06 0.90 -0.36 0.41 -1.61 0.00 0.00 178.31 177.71 1r3t n GLY 329 N 0.89 -2.29 0.14 -1.45 0.00 -0.74 -4.68 105.19 97.07 1r3t n GLY 329 Ca -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 1r3t n GLY 329 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3t h PRO 330 N -0.54 0.00 -6.52 1.61 0.13 -1.93 -3.46 132.00 121.30 1r3t h PRO 330 Ca -0.04 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.57 1r3t h PRO 330 Cb 0.52 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 1r3t h PRO 330 CO 0.02 0.58 0.02 -1.01 -0.23 0.00 0.00 178.00 177.38 1r3t s HIS 331 N -3.69 3.53 -1.28 1.56 3.76 -1.26 -4.45 115.29 113.46 1r3t s HIS 331 Ca -0.01 1.18 -0.04 0.00 -0.15 0.00 0.00 55.06 56.04 1r3t s HIS 331 Cb 0.13 -2.48 -0.01 0.00 1.11 0.00 0.00 32.58 31.34 1r3t s HIS 331 CO 0.76 0.29 0.68 0.54 -0.85 0.00 0.00 174.74 176.16 1r3t n ARG 332 N 0.35 -3.86 -3.76 1.40 1.74 -1.26 -4.93 116.66 106.34 1r3t n ARG 332 Ca -0.01 0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 57.52 1r3t n ARG 332 Cb 0.52 -4.94 -0.12 0.00 -1.02 0.00 0.00 32.46 26.90 1r3t n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3t s TYR 333 N -3.67 -0.30 -0.11 -1.55 5.04 -1.26 -1.56 117.35 113.94 1r3t s TYR 333 Ca 0.11 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1r3t s TYR 333 Cb -0.03 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.37 1r3t s TYR 333 CO 0.83 -0.18 -0.13 0.42 -1.34 0.00 0.00 175.55 175.14 1r3t s ILE 334 N 0.68 1.38 0.35 3.14 1.01 -0.35 -4.56 121.20 122.85 1r3t s ILE 334 Ca -0.04 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 1r3t s ILE 334 Cb -0.06 -1.29 -0.10 0.00 0.01 0.00 0.00 42.46 41.03 1r3t s ILE 334 CO -0.04 0.42 0.99 0.00 0.00 0.00 0.00 174.94 176.31 1r3t s ALA 335 N 1.12 3.17 0.20 9.38 0.00 -0.48 -1.59 121.76 133.56 1r3t s ALA 335 Ca -0.04 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1r3t s ALA 335 Cb -0.14 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1r3t s ALA 335 CO -0.03 0.02 1.02 1.21 0.00 0.00 0.00 175.76 177.98 1r3t s ASN 336 N -1.58 -0.01 0.86 0.00 3.84 -0.95 -2.37 114.94 114.73 1r3t s ASN 336 Ca 0.53 -0.69 -0.13 0.00 0.21 0.00 0.00 52.86 52.78 1r3t s ASN 336 Cb -0.20 0.52 0.13 0.00 -0.55 0.00 0.00 41.25 41.15 1r3t s ASN 336 CO 0.25 -1.04 1.22 -0.76 -2.79 0.00 0.00 177.10 173.98 1r3t s LEU 337 N -3.36 2.62 0.00 3.21 1.43 -1.26 -1.63 118.68 119.69 1r3t s LEU 337 Ca 0.21 0.53 0.27 0.00 -1.03 0.00 0.00 54.13 54.10 1r3t s LEU 337 Cb -0.03 -2.85 1.04 0.00 0.03 0.00 0.00 46.19 44.38 1r3t s LEU 337 CO 0.06 -2.20 1.74 0.61 0.23 0.00 0.00 176.35 176.78 1r3t n GLY 338 N -3.44 -0.02 0.73 -3.19 0.00 0.57 -4.38 105.19 95.45 1r3t n GLY 338 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1r3t n GLY 338 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r3t n HIS 339 N 0.12 -0.43 -2.12 1.61 -0.00 -1.26 -4.13 115.22 109.01 1r3t n HIS 339 Ca 0.19 -0.18 -0.31 0.00 -0.00 0.00 0.00 57.72 57.42 1r3t n HIS 339 Cb 0.33 0.08 -0.00 0.00 -0.00 0.00 0.00 29.99 30.41 1r3t n HIS 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1r3t s GLY 340 N -2.56 1.73 0.40 1.57 0.00 -1.26 -4.51 107.32 102.68 1r3t s GLY 340 Ca 0.05 -0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.40 1r3t s GLY 340 CO 0.00 0.15 1.48 1.08 0.00 0.00 0.00 173.10 175.82 1r3t s LEU 341 N -4.85 4.26 0.32 0.66 1.43 -0.58 -4.89 118.68 115.03 1r3t s LEU 341 Ca 0.55 3.04 -0.04 0.00 -1.03 0.00 0.00 54.13 56.65 1r3t s LEU 341 Cb -0.11 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1r3t s LEU 341 CO 0.48 -0.97 0.57 -0.31 0.23 0.00 0.00 176.35 176.35 1r3t s TYR 342 N -1.14 3.49 0.42 0.29 4.12 -1.26 -4.90 117.35 118.37 1r3t s TYR 342 Ca 0.55 0.59 0.37 0.00 0.02 0.00 0.00 57.07 58.60 1r3t s TYR 342 Cb -0.46 -2.07 1.86 0.00 -1.52 0.00 0.00 41.96 39.76 1r3t s TYR 342 CO 0.62 0.12 2.18 -1.35 0.02 0.00 0.00 175.55 177.14 1r3t h PRO 343 N 1.36 0.00 -0.61 -1.71 0.11 -1.95 -2.77 132.00 126.42 1r3t h PRO 343 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r3t h PRO 343 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r3t h PRO 343 CO 0.65 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1r3t n ASP 344 N -3.22 3.60 -4.85 -2.05 5.75 -1.26 -3.60 116.55 110.92 1r3t n ASP 344 Ca -0.02 -2.22 -0.32 0.00 -0.01 0.00 0.00 54.79 52.23 1r3t n ASP 344 Cb 0.19 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 1r3t n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r3t s MET 345 N -1.56 3.97 -0.29 0.11 -1.94 -1.05 -5.02 119.30 113.52 1r3t s MET 345 Ca 0.40 0.76 -0.23 0.00 -1.71 0.00 0.00 55.69 54.91 1r3t s MET 345 Cb 0.24 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 1r3t s MET 345 CO 0.22 -0.03 0.76 0.34 -0.01 0.00 0.00 175.02 176.31 1r3t s ASP 346 N -2.68 6.66 0.38 3.03 -1.08 -1.26 -4.78 116.67 116.94 1r3t s ASP 346 Ca 0.56 0.70 0.17 0.00 -0.52 0.00 0.00 52.55 53.46 1r3t s ASP 346 Cb -0.10 -2.40 1.09 0.00 -1.46 0.00 0.00 42.92 40.06 1r3t s ASP 346 CO 0.24 -0.56 1.74 -0.65 0.52 0.00 0.00 175.17 176.45 1r3t h PRO 347 N 8.03 0.38 -0.28 4.34 0.11 -1.96 0.11 132.00 142.74 1r3t h PRO 347 Ca -0.25 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1r3t h PRO 347 Cb 1.10 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1r3t h PRO 347 CO 0.86 0.25 -0.01 0.93 -0.21 0.00 0.00 178.00 179.82 1r3t h GLU 348 N 0.39 0.42 0.00 1.05 4.39 -1.98 -0.95 114.58 117.90 1r3t h GLU 348 Ca 0.64 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 60.13 1r3t h GLU 348 Cb 1.58 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.15 1r3t h GLU 348 CO -0.38 0.46 -0.61 0.45 -1.16 0.00 0.00 179.01 177.77 1r3t h HIS 349 N 0.41 0.00 -0.57 4.33 3.86 -1.31 -0.70 115.15 121.17 1r3t h HIS 349 Ca 0.09 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1r3t h HIS 349 Cb 0.29 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1r3t h HIS 349 CO 0.01 0.61 0.08 0.28 0.86 0.00 0.00 177.93 179.77 1r3t h VAL 350 N 0.00 1.26 -0.51 2.45 2.07 -0.82 -2.25 116.25 118.44 1r3t h VAL 350 Ca -0.01 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1r3t h VAL 350 Cb 1.14 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1r3t h VAL 350 CO 0.08 0.36 0.08 1.23 0.02 0.00 0.00 177.57 179.34 1r3t h GLY 351 N 0.84 0.87 1.31 2.17 0.00 -1.00 -1.79 103.07 105.47 1r3t h GLY 351 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1r3t h GLY 351 CO 0.01 0.49 0.45 0.00 0.00 0.00 0.00 176.54 177.49 1r3t h ALA 352 N 1.31 1.48 0.12 3.60 0.00 -0.90 -0.85 119.26 124.03 1r3t h ALA 352 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1r3t h ALA 352 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1r3t h ALA 352 CO 0.01 0.47 -0.06 0.35 0.00 0.00 0.00 179.25 180.02 1r3t h PHE 353 N 0.94 -0.15 -0.07 0.00 3.57 -0.80 -1.54 116.94 118.89 1r3t h PHE 353 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1r3t h PHE 353 Cb -0.09 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1r3t h PHE 353 CO 0.00 0.07 0.05 0.28 -2.23 0.00 0.00 178.31 176.49 1r3t h VAL 354 N -0.35 1.02 -0.38 1.41 2.07 -1.07 -1.69 116.25 117.26 1r3t h VAL 354 Ca -0.02 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1r3t h VAL 354 Cb 0.29 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1r3t h VAL 354 CO 0.03 0.02 0.10 0.44 0.02 0.00 0.00 177.57 178.17 1r3t h ASP 355 N 0.10 0.50 0.00 0.57 3.32 -1.12 -2.60 116.42 117.19 1r3t h ASP 355 Ca 0.03 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.81 1r3t h ASP 355 Cb -0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1r3t h ASP 355 CO -0.01 0.50 -0.72 0.00 -1.72 0.00 0.00 179.24 177.29 1r3t h ALA 356 N 1.57 0.46 -0.47 3.45 0.00 -0.95 0.12 119.26 123.43 1r3t h ALA 356 Ca 0.13 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1r3t h ALA 356 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r3t h ALA 356 CO -0.00 0.71 0.31 0.28 0.00 0.00 0.00 179.25 180.55 1r3t h VAL 357 N 0.45 1.12 -0.20 0.00 2.07 -1.11 -0.81 116.25 117.76 1r3t h VAL 357 Ca -0.03 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1r3t h VAL 357 Cb 1.33 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1r3t h VAL 357 CO 0.14 0.12 -0.01 0.45 0.02 0.00 0.00 177.57 178.28 1r3t h HIS 358 N 0.64 0.40 0.51 1.57 -0.00 -1.19 -1.25 115.15 115.82 1r3t h HIS 358 Ca 0.17 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 1r3t h HIS 358 Cb -0.07 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1r3t h HIS 358 CO -0.04 0.57 -0.25 -0.22 -0.00 0.00 0.00 177.93 177.99 1r3t h LYS 359 N 0.11 -0.66 0.00 2.45 3.64 -0.66 -2.82 116.57 118.62 1r3t h LYS 359 Ca 0.05 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1r3t h LYS 359 Cb 0.42 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1r3t h LYS 359 CO 0.01 -0.39 -0.34 0.45 -2.27 0.00 0.00 179.45 176.92 1r3t h HIS 360 N -0.81 0.00 -0.11 1.91 3.86 -1.20 -2.50 115.15 116.30 1r3t h HIS 360 Ca -0.07 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.98 1r3t h HIS 360 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1r3t h HIS 360 CO -0.01 0.34 -0.60 0.66 0.86 0.00 0.00 177.93 179.17 1r3t h SER 361 N 0.00 0.43 -0.42 2.45 4.64 -1.23 -1.90 113.55 117.52 1r3t h SER 361 Ca -0.00 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 1r3t h SER 361 Cb 0.66 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1r3t h SER 361 CO 0.04 0.93 -0.21 0.03 -0.87 0.00 0.00 176.83 176.75 1r3t h ARG 362 N 0.28 0.88 0.00 4.77 3.08 -1.28 -2.95 114.38 119.17 1r3t h ARG 362 Ca -0.01 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1r3t h ARG 362 Cb 1.13 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1r3t h ARG 362 CO 0.10 1.04 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.82 1r3t h LEU 363 N 0.70 0.00 -0.51 3.04 3.38 -1.35 -2.48 115.31 118.10 1r3t h LEU 363 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r3t h LEU 363 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1r3t h LEU 363 CO 0.06 0.15 0.00 0.25 0.09 0.00 0.00 178.44 179.00 1r3t h LEU 364 N 0.00 0.00 0.00 1.67 5.85 -1.17 -3.21 115.31 118.44 1r3t h LEU 364 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1r3t h LEU 364 Cb 0.29 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1r3t h LEU 364 CO 0.02 0.00 -1.93 0.54 -0.34 0.00 0.00 178.44 176.73 1r3t n ARG 365 N -2.99 0.65 0.00 1.25 1.74 -0.96 -4.97 116.66 111.38 1r3t n ARG 365 Ca 0.03 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1r3t n ARG 365 Cb 0.43 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1r3t n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05