#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jry h GLU 6 N 0.00 0.64 -0.02 -1.46 4.57 -1.84 -0.37 114.58 116.10 3jry h GLU 6 Ca 0.00 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.76 3jry h GLU 6 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3jry h GLU 6 CO 0.00 0.99 -0.22 -0.24 -1.18 0.00 0.00 179.01 178.36 3jry h VAL 7 N 0.50 1.17 0.19 0.32 3.04 -1.87 -2.58 116.25 117.03 3jry h VAL 7 Ca 0.02 -0.80 -0.31 0.00 -1.01 0.00 0.00 66.70 64.60 3jry h VAL 7 Cb 1.04 1.40 0.02 0.00 -2.01 0.00 0.00 31.29 31.74 3jry h VAL 7 CO 0.10 0.23 -1.36 0.00 -1.01 0.00 0.00 177.57 175.53 3jry h ALA 8 N 1.75 -0.04 -0.99 3.17 0.00 -1.76 -2.81 119.26 118.57 3jry h ALA 8 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 54.91 54.12 3jry h ALA 8 Cb 0.41 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3jry h ALA 8 CO 0.03 0.82 0.63 1.25 0.00 0.00 0.00 179.25 181.98 3jry h HIS 9 N 0.12 1.17 0.05 0.00 6.17 -0.95 -1.77 115.15 119.95 3jry h HIS 9 Ca -0.20 0.03 -0.25 0.00 0.71 0.00 0.00 60.37 60.66 3jry h HIS 9 Cb 2.07 -0.38 -0.02 0.00 2.52 0.00 0.00 27.41 31.60 3jry h HIS 9 CO 0.10 0.59 -1.20 0.00 0.71 0.00 0.00 177.93 178.13 3jry h ARG 10 N 1.13 0.11 0.19 5.26 2.47 -1.54 -2.85 114.38 119.16 3jry h ARG 10 Ca 0.44 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 3jry h ARG 10 Cb 0.21 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3jry h ARG 10 CO -0.19 1.04 -0.09 0.35 0.56 0.00 0.00 179.97 181.64 3jry h PHE 11 N 0.03 -0.23 -0.16 3.04 3.57 -1.32 -1.65 116.94 120.21 3jry h PHE 11 Ca -0.10 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.40 3jry h PHE 11 Cb 1.88 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3jry h PHE 11 CO 0.03 -0.14 0.09 0.87 -2.23 0.00 0.00 178.31 176.93 3jry h LYS 12 N -0.26 0.19 -0.54 1.11 1.57 -1.40 0.21 116.57 117.44 3jry h LYS 12 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3jry h LYS 12 Cb 0.20 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3jry h LYS 12 CO 0.04 0.13 0.32 -0.44 -0.57 0.00 0.00 179.45 178.93 3jry h ASP 13 N 0.20 0.66 0.82 0.86 5.19 -1.51 -3.28 116.42 119.35 3jry h ASP 13 Ca 0.06 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 3jry h ASP 13 Cb -0.00 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3jry h ASP 13 CO -0.03 0.53 -1.25 0.18 -3.12 0.00 0.00 179.24 175.55 3jry n LEU 14 N -4.65 0.86 -0.21 1.55 4.77 -0.62 -5.09 117.00 113.60 3jry n LEU 14 Ca 0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3jry n LEU 14 Cb 0.06 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3jry n LEU 14 CO 0.36 0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 176.98 3jry n GLY 15 N 1.31 -3.10 0.37 -0.72 0.00 0.71 -4.41 105.19 99.35 3jry n GLY 15 Ca -0.06 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.92 3jry n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 16 N 0.14 0.60 -0.03 1.61 4.81 -1.94 -2.12 114.58 117.65 3jry h GLU 16 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3jry h GLU 16 Cb 0.05 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3jry h GLU 16 CO 0.00 0.40 -0.02 1.49 -0.73 0.00 0.00 179.01 180.15 3jry h GLU 17 N 0.62 0.06 -0.51 1.92 4.81 -1.96 -1.47 114.58 118.04 3jry h GLU 17 Ca 0.40 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3jry h GLU 17 Cb 0.69 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3jry h GLU 17 CO -0.16 0.48 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.61 3jry h ASN 18 N -0.37 0.91 -0.07 1.04 2.35 -1.74 -2.94 115.58 114.76 3jry h ASN 18 Ca 0.01 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.52 3jry h ASN 18 Cb 0.47 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3jry h ASN 18 CO 0.00 1.01 -0.24 0.15 -1.65 0.00 0.00 177.43 176.70 3jry h PHE 19 N 0.83 -0.64 -0.58 1.19 3.57 -1.32 -0.49 116.94 119.50 3jry h PHE 19 Ca 0.14 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3jry h PHE 19 Cb 0.60 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 3jry h PHE 19 CO 0.04 -0.32 0.35 0.87 -2.23 0.00 0.00 178.31 177.02 3jry h LYS 20 N -0.33 0.68 -0.56 1.11 1.57 -1.29 -1.60 116.57 116.14 3jry h LYS 20 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3jry h LYS 20 Cb 0.45 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3jry h LYS 20 CO -0.27 0.45 0.37 0.00 -0.57 0.00 0.00 179.45 179.43 3jry h ALA 21 N 1.25 0.71 -0.29 3.86 0.00 -1.31 -2.16 119.26 121.31 3jry h ALA 21 Ca 0.23 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3jry h ALA 21 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3jry h ALA 21 CO -0.09 0.16 -0.33 -0.07 0.00 0.00 0.00 179.25 178.92 3jry h LEU 22 N 0.76 0.66 -0.70 0.00 3.38 -0.72 -2.19 115.31 116.50 3jry h LEU 22 Ca 0.21 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3jry h LEU 22 Cb -0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3jry h LEU 22 CO -0.04 0.94 -0.15 0.58 0.09 0.00 0.00 178.44 179.86 3jry h VAL 23 N 0.54 1.26 -0.63 1.22 2.07 -1.21 -2.28 116.25 117.22 3jry h VAL 23 Ca 0.06 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3jry h VAL 23 Cb 0.83 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3jry h VAL 23 CO 0.07 0.43 0.17 0.25 0.02 0.00 0.00 177.57 178.51 3jry h LEU 24 N 0.75 0.95 -0.44 2.57 5.85 -1.21 -2.23 115.31 121.55 3jry h LEU 24 Ca 0.12 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3jry h LEU 24 Cb 0.66 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3jry h LEU 24 CO 0.05 0.92 0.19 0.40 -0.34 0.00 0.00 178.44 179.66 3jry h ILE 25 N 0.93 1.19 -0.53 4.05 2.04 -1.29 -1.98 117.51 121.91 3jry h ILE 25 Ca 0.20 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3jry h ILE 25 Cb 0.33 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3jry h ILE 25 CO -0.00 0.22 0.32 0.00 0.00 0.00 0.00 178.15 178.69 3jry h ALA 26 N 1.03 0.68 -0.36 1.87 0.00 -1.27 -2.36 119.26 118.85 3jry h ALA 26 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3jry h ALA 26 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3jry h ALA 26 CO -0.01 0.16 0.14 0.74 0.00 0.00 0.00 179.25 180.28 3jry h PHE 27 N 0.71 0.55 0.00 0.00 -1.00 -1.35 -2.51 116.94 113.34 3jry h PHE 27 Ca 0.19 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 3jry h PHE 27 Cb -0.02 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.37 3jry h PHE 27 CO -0.03 0.51 -0.10 0.00 -1.61 0.00 0.00 178.31 177.08 3jry h ALA 28 N 0.99 1.17 0.00 2.45 0.00 -1.15 -1.50 119.26 121.22 3jry h ALA 28 Ca 0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3jry h ALA 28 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3jry h ALA 28 CO -0.01 0.12 -1.52 1.04 0.00 0.00 0.00 179.25 178.88 3jry n GLN 29 N -3.45 0.63 0.06 0.00 6.02 -0.91 -3.51 117.38 116.23 3jry n GLN 29 Ca -0.01 0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 3jry n GLN 29 Cb 0.25 -1.79 -0.15 0.00 1.02 0.00 0.00 30.24 29.57 3jry n GLN 29 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3jry h TYR 30 N 0.00 0.63 -3.20 1.08 0.05 -1.29 -3.41 116.97 110.83 3jry h TYR 30 Ca -0.20 -0.45 -0.64 0.00 0.05 0.00 0.00 58.73 57.49 3jry h TYR 30 Cb 1.69 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 39.00 3jry h TYR 30 CO 0.00 1.34 -0.49 -0.51 -1.05 0.00 0.00 178.16 177.46 3jry s LEU 31 N -7.87 4.90 0.00 3.88 1.43 -0.58 -4.87 118.68 115.57 3jry s LEU 31 Ca -0.13 -3.66 0.24 0.00 -1.03 0.00 0.00 54.13 49.56 3jry s LEU 31 Cb 0.02 -1.70 1.08 0.00 0.03 0.00 0.00 46.19 45.62 3jry s LEU 31 CO 0.85 -0.14 1.79 0.00 0.23 0.00 0.00 176.35 179.08 3jry n GLN 32 N 2.28 0.06 -0.00 1.70 6.02 -1.23 -3.11 117.38 123.11 3jry n GLN 32 Ca 0.17 0.08 0.07 0.00 -0.01 0.00 0.00 57.00 57.31 3jry n GLN 32 Cb 0.35 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.02 3jry n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3jry n GLN 33 N -1.46 1.80 -2.32 -1.09 1.13 -1.26 -4.97 117.38 109.21 3jry n GLN 33 Ca 0.07 -0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 3jry n GLN 33 Cb 0.27 -1.23 -0.03 0.00 0.11 0.00 0.00 30.24 29.36 3jry n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jry s PRO 35 N -1.94 2.80 0.24 0.00 0.02 -1.26 -4.94 135.00 129.92 3jry s PRO 35 Ca 0.51 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.71 3jry s PRO 35 Cb -0.33 -1.96 0.40 0.00 0.02 0.00 0.00 34.50 32.63 3jry s PRO 35 CO 0.42 -1.23 1.65 0.35 -0.33 0.00 0.00 177.00 177.85 3jry h PHE 36 N -0.23 -0.02 -0.56 6.54 3.57 -2.00 -3.01 116.94 121.22 3jry h PHE 36 Ca -0.46 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.03 3jry h PHE 36 Cb 1.23 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3jry h PHE 36 CO 0.57 -0.21 0.09 0.93 -2.23 0.00 0.00 178.31 177.46 3jry h GLU 37 N 0.12 0.90 -0.59 1.11 3.07 -2.00 -2.43 114.58 114.75 3jry h GLU 37 Ca 0.39 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 3jry h GLU 37 Cb 0.67 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3jry h GLU 37 CO -0.62 0.83 0.08 -0.44 -1.40 0.00 0.00 179.01 177.47 3jry h ASP 38 N 0.85 0.95 -0.06 1.42 3.32 -1.91 -1.70 116.42 119.29 3jry h ASP 38 Ca 0.18 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3jry h ASP 38 Cb 0.38 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3jry h ASP 38 CO 0.01 0.98 0.01 0.45 -1.72 0.00 0.00 179.24 178.96 3jry h HIS 39 N 0.89 0.11 -0.77 4.55 3.86 -1.51 -2.09 115.15 120.19 3jry h HIS 39 Ca 0.18 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.53 3jry h HIS 39 Cb 0.44 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.78 3jry h HIS 39 CO 0.03 0.35 0.27 0.28 0.86 0.00 0.00 177.93 179.72 3jry h VAL 40 N -0.16 0.59 -0.84 2.45 2.07 -1.40 -0.73 116.25 118.23 3jry h VAL 40 Ca 0.02 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 3jry h VAL 40 Cb 0.30 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 3jry h VAL 40 CO 0.00 0.07 0.54 0.50 0.02 0.00 0.00 177.57 178.70 3jry h LYS 41 N 0.38 1.01 0.07 1.57 3.64 -0.90 -2.43 116.57 119.92 3jry h LYS 41 Ca 0.43 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.51 3jry h LYS 41 Cb 0.71 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3jry h LYS 41 CO -0.46 0.67 -1.12 -0.07 -2.27 0.00 0.00 179.45 176.21 3jry h LEU 42 N 1.04 0.29 -0.53 5.20 3.38 -0.60 -3.11 115.31 120.98 3jry h LEU 42 Ca 0.34 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3jry h LEU 42 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3jry h LEU 42 CO -0.12 1.21 0.16 0.58 0.09 0.00 0.00 178.44 180.35 3jry h VAL 43 N 0.06 1.24 -0.71 1.22 2.07 -1.03 -2.36 116.25 116.74 3jry h VAL 43 Ca -0.09 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3jry h VAL 43 Cb 1.84 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3jry h VAL 43 CO 0.17 0.30 0.42 0.78 0.02 0.00 0.00 177.57 179.26 3jry h ASN 44 N 0.74 0.86 0.44 0.57 2.35 -1.49 -1.65 115.58 117.40 3jry h ASN 44 Ca 0.17 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3jry h ASN 44 Cb 0.29 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3jry h ASN 44 CO -0.00 0.68 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.91 3jry h GLU 45 N 0.97 -0.57 -0.92 0.81 5.08 -1.46 -2.66 114.58 115.83 3jry h GLU 45 Ca 0.25 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.80 3jry h GLU 45 Cb -0.02 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 3jry h GLU 45 CO -0.05 -0.35 0.59 0.28 -1.00 0.00 0.00 179.01 178.48 3jry h VAL 46 N -0.63 0.84 -0.25 3.13 2.07 -1.34 -1.61 116.25 118.45 3jry h VAL 46 Ca -0.06 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3jry h VAL 46 Cb 0.47 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3jry h VAL 46 CO 0.10 0.14 -0.24 0.74 0.02 0.00 0.00 177.57 178.32 3jry h THR 47 N 0.75 1.31 0.00 2.57 2.02 -1.20 -1.13 112.91 117.24 3jry h THR 47 Ca 0.47 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 3jry h THR 47 Cb 0.70 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3jry h THR 47 CO -0.23 0.44 -0.44 1.05 0.37 0.00 0.00 175.52 176.72 3jry h GLU 48 N 0.33 0.00 -0.09 6.66 4.11 -1.12 -2.23 114.58 122.25 3jry h GLU 48 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 3jry h GLU 48 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3jry h GLU 48 CO 0.06 0.44 0.01 0.35 0.07 0.00 0.00 179.01 179.93 3jry h PHE 49 N 0.00 0.16 -0.79 2.06 3.57 -1.16 -2.75 116.94 118.03 3jry h PHE 49 Ca -0.00 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.65 3jry h PHE 49 Cb 0.87 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.46 3jry h PHE 49 CO 0.00 0.39 0.25 0.00 -2.23 0.00 0.00 178.31 176.72 3jry h ALA 50 N 0.75 1.10 -0.92 2.41 0.00 -0.88 0.17 119.26 121.89 3jry h ALA 50 Ca 0.03 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3jry h ALA 50 Cb 0.32 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3jry h ALA 50 CO 0.00 -0.33 0.60 0.87 0.00 0.00 0.00 179.25 180.40 3jry h LYS 51 N 0.32 1.16 0.00 0.00 1.57 -1.24 -1.29 116.57 117.09 3jry h LYS 51 Ca 0.46 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.12 3jry h LYS 51 Cb 0.81 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3jry h LYS 51 CO -0.52 0.77 -0.25 1.79 -0.57 0.00 0.00 179.45 180.67 3jry h THR 52 N 1.19 1.11 -0.14 -0.16 1.35 -0.70 -2.77 112.91 112.80 3jry h THR 52 Ca 0.35 -0.88 -0.14 0.00 -0.55 0.00 0.00 66.41 65.19 3jry h THR 52 Cb -0.06 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3jry h THR 52 CO -0.09 0.25 -0.46 0.00 -0.25 0.00 0.00 175.52 174.96 3jry h VAL 54 N 0.19 0.24 -0.24 0.00 -1.51 -1.37 -1.23 116.25 112.33 3jry h VAL 54 Ca -0.02 -0.67 -0.08 0.00 -1.23 0.00 0.00 66.70 64.71 3jry h VAL 54 Cb 1.09 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 3jry h VAL 54 CO 0.10 0.08 -0.15 0.00 -1.23 0.00 0.00 177.57 176.37 3jry h ALA 55 N 1.92 0.34 -2.43 5.19 0.00 -1.31 -3.41 119.26 119.56 3jry h ALA 55 Ca -0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 54.91 54.17 3jry h ALA 55 Cb 0.53 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 17.88 3jry h ALA 55 CO 0.01 0.23 -0.70 0.34 0.00 0.00 0.00 179.25 179.14 3jry s ASP 56 N -6.25 2.48 0.39 0.00 2.15 -0.84 -5.03 116.67 109.57 3jry s ASP 56 Ca -0.13 -0.98 0.28 0.00 0.43 0.00 0.00 52.55 52.14 3jry s ASP 56 Cb 0.07 0.14 1.34 0.00 -0.30 0.00 0.00 42.92 44.17 3jry s ASP 56 CO 0.78 -0.41 1.84 -0.33 -0.17 0.00 0.00 175.17 176.88 3jry h GLU 57 N 8.33 0.00 -0.54 4.34 5.08 -1.48 0.45 114.58 130.76 3jry h GLU 57 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3jry h GLU 57 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3jry h GLU 57 CO 0.38 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.26 3jry n SER 58 N -2.51 3.62 -3.90 1.42 3.41 -1.26 -3.99 113.62 110.41 3jry n SER 58 Ca -0.00 -2.11 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 3jry n SER 58 Cb 0.15 -0.39 0.24 0.00 -0.26 0.00 0.00 64.21 63.95 3jry n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jry s ALA 59 N -1.20 0.31 0.00 7.33 0.00 0.15 -4.83 121.76 123.52 3jry s ALA 59 Ca 0.38 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3jry s ALA 59 Cb 0.21 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3jry s ALA 59 CO 0.24 -3.71 0.00 0.39 0.00 0.00 0.00 175.76 172.67 3jry n GLU 60 N -4.87 0.00 -0.44 0.00 1.02 -1.26 -2.78 120.64 112.31 3jry n GLU 60 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3jry n GLU 60 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3jry n GLU 60 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3jry n ASN 61 N 0.00 0.00 0.00 1.62 5.15 -1.26 -4.90 115.26 115.86 3jry n ASN 61 Ca 0.00 -1.74 0.01 0.00 -0.60 0.00 0.00 54.58 52.25 3jry n ASN 61 Cb 0.00 -0.15 0.06 0.00 -0.53 0.00 0.00 39.78 39.16 3jry n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jry n ASP 63 N -1.46 2.09 -4.68 0.00 5.75 -1.26 -0.71 116.55 116.27 3jry n ASP 63 Ca 0.01 -1.70 -0.29 0.00 -0.01 0.00 0.00 54.79 52.79 3jry n ASP 63 Cb 0.03 -0.02 0.16 0.00 -1.03 0.00 0.00 41.12 40.26 3jry n ASP 63 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jry s LYS 64 N -1.96 0.74 0.65 0.11 1.02 -1.05 -4.94 119.74 114.31 3jry s LYS 64 Ca 0.34 0.76 -0.10 0.00 0.02 0.00 0.00 55.97 56.99 3jry s LYS 64 Cb 0.20 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 3jry s LYS 64 CO 0.32 -2.58 1.03 -1.54 -0.92 0.00 0.00 175.35 171.66 3jry s SER 65 N -3.30 5.84 0.27 2.83 1.04 -1.26 -4.70 113.70 114.43 3jry s SER 65 Ca 0.65 1.21 -0.01 0.00 0.48 0.00 0.00 55.95 58.28 3jry s SER 65 Cb -0.19 -2.16 0.37 0.00 0.10 0.00 0.00 66.02 64.14 3jry s SER 65 CO 0.58 -1.07 1.77 -0.07 0.98 0.00 0.00 173.24 175.43 3jry h LEU 66 N -0.42 0.70 0.59 2.42 3.38 -1.97 -1.07 115.31 118.94 3jry h LEU 66 Ca -0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 3jry h LEU 66 Cb 1.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3jry h LEU 66 CO 0.63 0.79 -0.31 0.45 0.09 0.00 0.00 178.44 180.09 3jry h HIS 67 N 0.68 -0.81 -0.29 1.13 3.86 -1.98 -1.35 115.15 116.39 3jry h HIS 67 Ca 0.13 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3jry h HIS 67 Cb 0.47 0.28 -0.08 0.00 1.06 0.00 0.00 27.41 29.13 3jry h HIS 67 CO 0.02 -0.49 -0.37 1.15 0.86 0.00 0.00 177.93 179.10 3jry h THR 68 N -0.83 0.19 0.01 2.45 2.02 -1.94 0.18 112.91 114.99 3jry h THR 68 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3jry h THR 68 Cb 0.65 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3jry h THR 68 CO 0.11 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.93 3jry h LEU 69 N -0.35 -0.01 -0.63 2.58 3.38 -1.10 -0.60 115.31 118.58 3jry h LEU 69 Ca 0.13 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3jry h LEU 69 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3jry h LEU 69 CO -0.48 0.03 -0.68 -0.26 0.09 0.00 0.00 178.44 177.15 3jry h PHE 70 N -0.05 0.00 -0.32 1.13 0.04 -1.25 -2.86 116.94 113.63 3jry h PHE 70 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3jry h PHE 70 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3jry h PHE 70 CO -0.07 0.68 0.20 0.78 -0.60 0.00 0.00 178.31 179.30 3jry h GLY 71 N 2.07 0.47 0.88 -1.45 0.00 -0.30 -1.38 103.07 103.36 3jry h GLY 71 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3jry h GLY 71 CO 0.09 0.19 0.06 -0.55 0.00 0.00 0.00 176.54 176.33 3jry h ASP 72 N 0.42 0.40 -0.57 0.19 3.32 -1.07 -0.93 116.42 118.18 3jry h ASP 72 Ca 0.12 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.98 3jry h ASP 72 Cb 0.01 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 3jry h ASP 72 CO -0.02 0.53 0.29 0.11 -1.72 0.00 0.00 179.24 178.43 3jry h LYS 73 N 0.25 0.54 -0.25 3.56 1.79 -1.43 -2.66 116.57 118.38 3jry h LYS 73 Ca 0.08 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3jry h LYS 73 Cb 0.29 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3jry h LYS 73 CO 0.00 0.36 0.16 -0.07 -1.08 0.00 0.00 179.45 178.82 3jry h LEU 74 N 0.56 0.26 0.00 2.94 3.38 -0.98 -2.89 115.31 118.58 3jry h LEU 74 Ca 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3jry h LEU 74 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3jry h LEU 74 CO -0.17 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3jry n THR 76 N -1.35 0.00 -2.26 0.00 -2.24 -1.09 -3.71 114.28 103.63 3jry n THR 76 Ca 0.05 -0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 3jry n THR 76 Cb 0.10 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3jry n THR 76 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3jry n VAL 77 N -0.86 0.29 0.00 2.28 0.24 -0.39 -5.05 118.33 114.84 3jry n VAL 77 Ca 0.14 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 3jry n VAL 77 Cb 0.29 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 3jry n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3jry n ALA 78 N 0.16 0.00 0.00 2.33 0.00 -1.14 -5.02 120.51 116.84 3jry n ALA 78 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3jry n ALA 78 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.44 3jry n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3jry n THR 79 N 0.00 0.00 -1.18 0.00 -2.24 -1.26 -4.89 114.28 104.71 3jry n THR 79 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3jry n THR 79 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3jry n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jry n LEU 80 N 0.00 -0.24 0.00 3.22 -0.00 -1.26 -4.93 117.00 113.79 3jry n LEU 80 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 3jry n LEU 80 Cb 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 41.84 3jry n LEU 80 CO 0.00 -0.52 0.00 -1.14 -0.00 0.00 0.00 177.39 175.73 3jry n ARG 81 N -2.03 0.00 0.00 1.47 3.00 -1.26 -4.93 116.66 112.91 3jry n ARG 81 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3jry n ARG 81 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.76 3jry n ARG 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3jry n GLU 82 N -0.19 0.00 -3.46 -0.14 4.07 -1.26 -5.06 120.64 114.60 3jry n GLU 82 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3jry n GLU 82 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 3jry n GLU 82 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3jry s THR 83 N -1.70 5.04 0.00 6.31 -1.32 -1.26 -4.66 115.64 118.05 3jry s THR 83 Ca 0.00 -2.78 0.01 0.00 -1.21 0.00 0.00 61.69 57.71 3jry s THR 83 Cb 0.00 -4.14 0.02 0.00 -1.51 0.00 0.00 72.50 66.87 3jry s THR 83 CO 0.00 -1.00 0.79 0.00 -2.21 0.00 0.00 174.62 172.19 3jry n TYR 84 N 3.62 0.00 0.00 9.09 9.36 -1.26 -5.08 117.16 132.88 3jry n TYR 84 Ca 0.14 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3jry n TYR 84 Cb 0.43 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 3jry n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3jry n GLY 85 N 0.03 1.31 2.56 2.98 0.00 -1.26 -4.43 105.19 106.38 3jry n GLY 85 Ca -0.01 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3jry n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3jry s GLU 86 N 0.00 0.65 0.25 1.61 1.03 -1.26 -5.15 118.70 115.83 3jry s GLU 86 Ca 0.00 -1.28 0.12 0.00 0.03 0.00 0.00 54.97 53.84 3jry s GLU 86 Cb 0.00 -1.08 -0.05 0.00 -0.80 0.00 0.00 34.13 32.21 3jry s GLU 86 CO 0.00 -1.24 -0.21 -1.64 -1.33 0.00 0.00 175.26 170.85 3jry s MET 87 N 1.03 1.60 0.47 -4.83 -1.94 -1.26 -5.15 119.30 109.22 3jry s MET 87 Ca 0.20 -1.68 0.07 0.00 -1.71 0.00 0.00 55.69 52.57 3jry s MET 87 Cb -0.16 -1.74 0.00 0.00 2.01 0.00 0.00 34.83 34.94 3jry s MET 87 CO -0.03 0.34 0.39 0.00 -0.01 0.00 0.00 175.02 175.70 3jry s ALA 88 N -2.29 4.16 -0.28 3.03 0.00 -1.26 -5.07 121.76 120.05 3jry s ALA 88 Ca 0.27 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.29 3jry s ALA 88 Cb -0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3jry s ALA 88 CO 0.13 -0.33 0.64 0.34 0.00 0.00 0.00 175.76 176.54 3jry s ASP 89 N -4.18 6.53 0.10 0.00 2.15 -1.26 -4.95 116.67 115.06 3jry s ASP 89 Ca 0.43 0.55 -0.16 0.00 0.43 0.00 0.00 52.55 53.81 3jry s ASP 89 Cb -0.02 -2.34 -0.08 0.00 -0.30 0.00 0.00 42.92 40.19 3jry s ASP 89 CO 0.26 -0.44 1.45 0.00 -0.17 0.00 0.00 175.17 176.27 3jry n ALA 92 N -1.22 2.36 -2.29 0.00 0.00 -1.13 -4.98 120.51 113.25 3jry n ALA 92 Ca 0.02 -1.13 -0.24 0.00 0.00 0.00 0.00 53.44 52.08 3jry n ALA 92 Cb 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3jry n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3jry s LYS 93 N -1.16 2.32 0.06 0.00 1.02 0.46 -5.09 119.74 117.36 3jry s LYS 93 Ca 0.39 -1.84 0.08 0.00 0.02 0.00 0.00 55.97 54.62 3jry s LYS 93 Cb 0.21 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3jry s LYS 93 CO 0.28 -0.57 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.30 3jry s GLN 94 N -4.32 1.91 0.68 1.68 -1.52 -1.26 -4.72 119.66 112.11 3jry s GLN 94 Ca 0.43 -1.07 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 3jry s GLN 94 Cb -0.03 -2.11 0.01 0.00 -0.22 0.00 0.00 33.01 30.65 3jry s GLN 94 CO 0.26 0.52 1.26 0.39 -0.25 0.00 0.00 175.29 177.47 3jry n GLU 95 N 1.38 0.91 -0.12 2.91 -0.58 -1.26 -1.41 120.64 122.47 3jry n GLU 95 Ca -0.16 0.37 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 3jry n GLU 95 Cb 0.52 -2.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.01 3jry n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3jry n PRO 96 N -2.17 1.55 -0.26 3.49 -0.02 -1.26 -4.82 135.00 131.52 3jry n PRO 96 Ca 0.15 -0.86 -0.07 0.00 -2.02 0.00 0.00 63.50 60.71 3jry n PRO 96 Cb 0.48 -1.20 0.06 0.00 -0.02 0.00 0.00 33.50 32.83 3jry n PRO 96 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jry h GLU 97 N 1.41 1.14 -0.28 -0.52 3.07 -1.64 -0.94 114.58 116.81 3jry h GLU 97 Ca 0.00 -0.27 0.03 0.00 -0.50 0.00 0.00 59.36 58.62 3jry h GLU 97 Cb 0.32 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3jry h GLU 97 CO 0.00 0.99 0.10 -0.09 -1.40 0.00 0.00 179.01 178.62 3jry h ARG 98 N 1.08 0.23 -0.79 2.33 2.43 -1.75 -0.57 114.38 117.34 3jry h ARG 98 Ca 0.23 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3jry h ARG 98 Cb 0.36 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3jry h ARG 98 CO -0.00 0.15 0.32 -0.97 -1.51 0.00 0.00 179.97 177.96 3jry h ASN 99 N 0.23 1.08 -0.32 -3.80 -1.24 -1.83 -2.19 115.58 107.50 3jry h ASN 99 Ca 0.12 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.01 3jry h ASN 99 Cb 0.08 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 3jry h ASN 99 CO -0.12 0.95 0.09 -0.33 -1.29 0.00 0.00 177.43 176.73 3jry h GLU 100 N 1.14 0.21 -0.20 6.67 5.08 -0.68 -2.40 114.58 124.40 3jry h GLU 100 Ca 0.26 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3jry h GLU 100 Cb 0.20 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3jry h GLU 100 CO -0.02 0.14 0.08 0.00 -1.00 0.00 0.00 179.01 178.21 3jry h PHE 102 N 0.18 -0.20 -0.59 0.00 0.04 -1.09 -2.58 116.94 112.69 3jry h PHE 102 Ca 0.08 0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 3jry h PHE 102 Cb 0.04 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3jry h PHE 102 CO -0.10 -0.22 0.08 -0.07 -0.60 0.00 0.00 178.31 177.40 3jry h LEU 103 N 0.04 0.96 0.00 1.54 3.38 -1.09 -2.58 115.31 117.56 3jry h LEU 103 Ca 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3jry h LEU 103 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3jry h LEU 103 CO -0.56 0.99 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3jry n GLN 104 N -4.29 0.21 -0.07 1.13 10.64 -0.97 -2.49 117.38 121.54 3jry n GLN 104 Ca 0.03 0.09 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 3jry n GLN 104 Cb 0.29 -1.50 0.25 0.00 -0.86 0.00 0.00 30.24 28.42 3jry n GLN 104 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3jry n HIS 105 N -1.36 0.20 -1.74 2.61 8.25 -0.97 -4.93 115.22 117.27 3jry n HIS 105 Ca 0.09 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3jry n HIS 105 Cb 0.21 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 3jry n HIS 105 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3jry s LYS 106 N -1.80 4.14 -0.32 -0.41 1.02 -1.04 -4.96 119.74 116.37 3jry s LYS 106 Ca 0.34 2.56 -0.11 0.00 0.02 0.00 0.00 55.97 58.78 3jry s LYS 106 Cb 0.21 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3jry s LYS 106 CO 0.31 -0.83 0.19 0.34 -0.92 0.00 0.00 175.35 174.43 3jry s ASP 107 N 2.73 5.78 0.51 2.83 2.15 -1.26 -4.96 116.67 124.45 3jry s ASP 107 Ca 0.80 -0.45 0.30 0.00 0.43 0.00 0.00 52.55 53.63 3jry s ASP 107 Cb -0.45 -2.06 1.02 0.00 -0.30 0.00 0.00 42.92 41.13 3jry s ASP 107 CO 0.36 -0.20 1.86 0.44 -0.17 0.00 0.00 175.17 177.45 3jry h ASP 108 N 8.41 0.00 -2.01 -0.34 3.32 -1.95 -3.35 116.42 120.50 3jry h ASP 108 Ca -0.32 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 3jry h ASP 108 Cb 1.15 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.31 3jry h ASP 108 CO 0.62 0.00 -1.10 -3.20 -1.72 0.00 0.00 179.24 173.83 3jry n ASN 109 N -3.09 0.45 -4.77 6.45 2.85 -1.26 -4.99 115.26 110.91 3jry n ASN 109 Ca 0.02 -2.78 -0.40 0.00 -0.11 0.00 0.00 54.58 51.31 3jry n ASN 109 Cb 0.38 -0.64 -0.01 0.00 1.24 0.00 0.00 39.78 40.75 3jry n ASN 109 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3jry s PRO 110 N -1.47 4.07 -1.28 1.20 0.02 -1.26 -4.88 135.00 131.41 3jry s PRO 110 Ca 0.36 2.12 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 3jry s PRO 110 Cb 0.20 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3jry s PRO 110 CO -0.10 -0.39 2.04 0.09 -0.33 0.00 0.00 177.00 178.31 3jry n ASN 111 N 0.28 3.81 -4.46 2.53 4.13 -1.26 -4.91 115.26 115.38 3jry n ASN 111 Ca 0.03 -2.82 -0.31 0.00 1.68 0.00 0.00 54.58 53.16 3jry n ASN 111 Cb 0.44 -1.59 -0.13 0.00 -1.54 0.00 0.00 39.78 36.96 3jry n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3jry s LEU 112 N 3.12 2.64 0.42 3.41 1.43 -1.26 -5.11 118.68 123.33 3jry s LEU 112 Ca 0.52 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 3jry s LEU 112 Cb 0.11 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 3jry s LEU 112 CO 0.00 0.27 1.34 -2.84 0.23 0.00 0.00 176.35 175.35 3jry s PRO 113 N -1.31 3.86 0.22 1.29 0.02 -1.26 -4.95 135.00 132.87 3jry s PRO 113 Ca 0.14 2.22 -0.31 0.00 0.02 0.00 0.00 61.00 63.08 3jry s PRO 113 Cb -0.11 -2.70 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 3jry s PRO 113 CO 0.05 -0.61 1.53 0.50 -0.33 0.00 0.00 177.00 178.14 3jry s ARG 114 N -2.33 4.22 -0.36 5.54 6.06 -1.26 -4.94 118.95 125.87 3jry s ARG 114 Ca 0.59 2.38 -0.28 0.00 -2.50 0.00 0.00 55.73 55.91 3jry s ARG 114 Cb -0.39 -3.12 0.02 0.00 0.06 0.00 0.00 34.95 31.52 3jry s ARG 114 CO 0.51 -0.55 1.04 -0.51 -2.50 0.00 0.00 175.30 173.29 3jry s LEU 115 N 0.34 3.89 -0.19 -0.88 1.02 -1.26 -5.02 118.68 116.59 3jry s LEU 115 Ca 0.65 0.80 -0.13 0.00 0.02 0.00 0.00 54.13 55.47 3jry s LEU 115 Cb -0.44 -3.46 -0.05 0.00 0.02 0.00 0.00 46.19 42.27 3jry s LEU 115 CO 0.38 -0.94 0.25 0.54 0.02 0.00 0.00 176.35 176.60 3jry s VAL 116 N 3.75 5.32 -0.01 -1.59 0.11 -1.26 -5.08 120.40 121.64 3jry s VAL 116 Ca 0.44 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.72 3jry s VAL 116 Cb -0.11 -3.59 -0.05 0.00 -1.53 0.00 0.00 36.38 31.09 3jry s VAL 116 CO 0.19 0.37 0.59 0.00 -3.33 0.00 0.00 175.10 172.93 3jry s ARG 117 N 0.66 4.31 1.28 1.54 1.70 -1.26 -5.06 118.95 122.11 3jry s ARG 117 Ca 0.14 0.72 -0.18 0.00 -0.47 0.00 0.00 55.73 55.93 3jry s ARG 117 Cb -0.13 -3.35 0.32 0.00 -0.57 0.00 0.00 34.95 31.22 3jry s ARG 117 CO 0.03 0.36 1.00 -2.14 -1.08 0.00 0.00 175.30 173.47 3jry s PRO 118 N -0.16 -1.79 0.49 3.89 0.02 -1.26 -4.95 135.00 131.24 3jry s PRO 118 Ca 0.31 0.35 -0.23 0.00 0.02 0.00 0.00 61.00 61.44 3jry s PRO 118 Cb -0.18 -1.49 -0.07 0.00 0.02 0.00 0.00 34.50 32.77 3jry s PRO 118 CO 0.17 -4.18 1.28 -0.85 -0.33 0.00 0.00 177.00 173.09 3jry n GLU 119 N -5.17 1.75 -0.23 5.54 0.28 -1.26 -4.80 120.64 116.75 3jry n GLU 119 Ca 0.09 0.63 0.26 0.00 -0.16 0.00 0.00 57.16 57.98 3jry n GLU 119 Cb 0.58 -2.45 0.63 0.00 1.43 0.00 0.00 31.44 31.63 3jry n GLU 119 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3jry h VAL 120 N 1.68 0.57 -0.62 3.84 2.07 -2.01 -0.41 116.25 121.38 3jry h VAL 120 Ca -0.49 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3jry h VAL 120 Cb 1.30 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3jry h VAL 120 CO 0.58 0.03 0.12 0.44 0.02 0.00 0.00 177.57 178.76 3jry h ASP 121 N 0.17 0.97 -0.12 0.57 3.32 -2.00 -2.51 116.42 116.82 3jry h ASP 121 Ca 0.47 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3jry h ASP 121 Cb 1.57 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3jry h ASP 121 CO -0.10 0.97 0.01 0.58 -1.72 0.00 0.00 179.24 178.98 3jry h VAL 122 N 0.92 1.24 0.00 -1.35 2.07 -1.42 -2.08 116.25 115.63 3jry h VAL 122 Ca 0.19 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3jry h VAL 122 Cb 0.40 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3jry h VAL 122 CO 0.01 0.22 -0.21 0.24 0.02 0.00 0.00 177.57 177.84 3jry h MET 123 N -0.05 -0.33 -0.94 1.57 2.86 -1.53 -0.68 114.93 115.82 3jry h MET 123 Ca 0.03 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3jry h MET 123 Cb 0.33 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 3jry h MET 123 CO 0.00 -0.22 0.61 0.00 1.06 0.00 0.00 176.91 178.36 3jry h THR 125 N 1.13 1.26 -0.65 0.00 2.02 -1.08 -1.76 112.91 113.84 3jry h THR 125 Ca 0.39 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 3jry h THR 125 Cb 0.09 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3jry h THR 125 CO -0.15 0.40 0.10 0.00 0.37 0.00 0.00 175.52 176.24 3jry h ALA 126 N 1.05 0.95 -0.42 6.16 0.00 -0.46 -0.58 119.26 125.95 3jry h ALA 126 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3jry h ALA 126 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3jry h ALA 126 CO 0.02 0.66 -0.15 0.35 0.00 0.00 0.00 179.25 180.12 3jry h PHE 127 N 1.00 0.87 0.00 0.00 3.57 -0.47 -2.32 116.94 119.59 3jry h PHE 127 Ca 0.20 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3jry h PHE 127 Cb 0.43 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3jry h PHE 127 CO 0.03 0.88 -0.87 0.45 -2.23 0.00 0.00 178.31 176.57 3jry h HIS 128 N 0.70 0.00 0.61 0.41 3.86 -1.24 -3.16 115.15 116.33 3jry h HIS 128 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3jry h HIS 128 Cb 0.65 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 3jry h HIS 128 CO 0.03 0.60 -0.29 0.22 0.86 0.00 0.00 177.93 179.35 3jry h ASP 129 N 0.00 -0.70 -2.98 2.45 1.82 -0.98 -3.42 116.42 112.61 3jry h ASP 129 Ca -0.06 0.02 -0.59 0.00 -0.39 0.00 0.00 57.03 56.01 3jry h ASP 129 Cb 1.51 0.18 -0.39 0.00 0.68 0.00 0.00 39.33 41.30 3jry h ASP 129 CO 0.07 -0.31 -0.80 0.21 -1.61 0.00 0.00 179.24 176.80 3jry s ASN 130 N -4.54 3.27 0.18 2.28 3.84 -0.88 -5.00 114.94 114.08 3jry s ASN 130 Ca -0.12 -2.35 -0.08 0.00 0.21 0.00 0.00 52.86 50.53 3jry s ASN 130 Cb 0.01 -0.67 0.06 0.00 -0.55 0.00 0.00 41.25 40.11 3jry s ASN 130 CO 0.36 -0.30 1.55 -0.08 -2.79 0.00 0.00 177.10 175.84 3jry h GLU 131 N 6.93 0.85 -0.50 0.43 4.81 -1.76 -1.66 114.58 123.68 3jry h GLU 131 Ca 0.02 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 3jry h GLU 131 Cb 0.95 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3jry h GLU 131 CO 0.36 1.05 0.11 0.93 -0.73 0.00 0.00 179.01 180.72 3jry h GLU 132 N 0.71 0.81 0.00 1.92 3.07 -1.95 -2.32 114.58 116.83 3jry h GLU 132 Ca 0.08 -0.20 -0.18 0.00 -0.50 0.00 0.00 59.36 58.55 3jry h GLU 132 Cb 0.88 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 3jry h GLU 132 CO 0.08 0.79 -0.83 1.15 -1.40 0.00 0.00 179.01 178.79 3jry h THR 133 N 0.70 1.54 -0.36 1.13 2.02 -1.94 -2.65 112.91 113.35 3jry h THR 133 Ca 0.16 -2.70 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 3jry h THR 133 Cb 0.35 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3jry h THR 133 CO 0.00 0.78 0.08 0.15 0.37 0.00 0.00 175.52 176.90 3jry h PHE 134 N 0.05 0.61 -0.01 3.16 3.57 -1.14 -2.66 116.94 120.51 3jry h PHE 134 Ca -0.02 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 3jry h PHE 134 Cb 1.46 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3jry h PHE 134 CO 0.01 0.61 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.10 3jry h LEU 135 N 0.43 0.04 -0.54 0.59 3.38 -1.38 -3.06 115.31 114.77 3jry h LEU 135 Ca 0.11 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3jry h LEU 135 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3jry h LEU 135 CO 0.00 0.57 -0.66 0.11 0.09 0.00 0.00 178.44 178.55 3jry h LYS 136 N 0.03 0.29 -0.40 1.13 1.57 -1.41 -2.82 116.57 114.95 3jry h LYS 136 Ca -0.00 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3jry h LYS 136 Cb 0.96 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3jry h LYS 136 CO 0.07 0.85 0.05 0.87 -0.57 0.00 0.00 179.45 180.72 3jry h LYS 137 N 0.20 0.61 0.32 3.15 1.57 -1.41 -1.58 116.57 119.43 3jry h LYS 137 Ca -0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3jry h LYS 137 Cb 1.20 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3jry h LYS 137 CO 0.11 0.60 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.49 3jry h TYR 138 N 0.59 -0.47 -0.65 -1.35 3.20 -1.41 -1.68 116.97 115.19 3jry h TYR 138 Ca 0.13 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3jry h TYR 138 Cb 0.30 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 3jry h TYR 138 CO 0.01 -0.28 0.33 -0.07 -1.64 0.00 0.00 178.16 176.51 3jry h LEU 139 N -0.47 0.45 -0.33 2.82 3.38 -1.32 -2.92 115.31 116.93 3jry h LEU 139 Ca -0.04 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 3jry h LEU 139 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jry h LEU 139 CO 0.05 0.28 -0.39 0.22 0.09 0.00 0.00 178.44 178.69 3jry h TYR 140 N 0.59 1.03 -0.15 1.13 3.20 -1.10 -1.04 116.97 120.62 3jry h TYR 140 Ca 0.31 -0.32 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 3jry h TYR 140 Cb 0.28 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3jry h TYR 140 CO -0.11 1.13 -0.53 0.93 -1.64 0.00 0.00 178.16 177.95 3jry h GLU 141 N 0.63 0.42 -0.02 1.82 4.39 -1.31 -2.61 114.58 117.91 3jry h GLU 141 Ca 0.05 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3jry h GLU 141 Cb 0.98 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3jry h GLU 141 CO 0.09 0.85 -0.04 0.82 -1.16 0.00 0.00 179.01 179.57 3jry h ILE 142 N 0.33 1.46 -0.89 3.13 1.08 -1.46 -3.18 117.51 117.98 3jry h ILE 142 Ca 0.01 -1.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 3jry h ILE 142 Cb 1.03 2.37 -0.04 0.00 -3.07 0.00 0.00 36.82 37.11 3jry h ILE 142 CO 0.09 0.37 0.49 0.00 -0.69 0.00 0.00 178.15 178.42 3jry h ALA 143 N 0.43 1.20 0.00 1.87 0.00 -1.20 -1.32 119.26 120.23 3jry h ALA 143 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3jry h ALA 143 Cb 0.63 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jry h ALA 143 CO 0.01 0.65 -0.06 0.07 0.00 0.00 0.00 179.25 179.92 3jry h ARG 144 N 1.24 0.00 0.00 0.00 0.11 -1.58 -3.07 114.38 111.08 3jry h ARG 144 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3jry h ARG 144 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3jry h ARG 144 CO -0.05 0.06 -0.88 0.54 0.10 0.00 0.00 179.97 179.74 3jry n ARG 145 N -3.13 0.39 -3.51 0.08 1.74 -0.93 -4.58 116.66 106.71 3jry n ARG 145 Ca 0.03 0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.90 3jry n ARG 145 Cb 0.48 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 3jry n ARG 145 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3jry n HIS 146 N -2.23 0.33 0.30 -1.55 8.25 -0.54 -4.87 115.22 114.91 3jry n HIS 146 Ca 0.02 -3.61 0.18 0.00 -0.26 0.00 0.00 57.72 54.05 3jry n HIS 146 Cb 0.47 -0.04 0.88 0.00 1.12 0.00 0.00 29.99 32.42 3jry n HIS 146 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3jry h PRO 147 N 5.40 0.00 -0.43 -0.41 0.11 -1.80 -0.96 132.00 133.90 3jry h PRO 147 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3jry h PRO 147 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3jry h PRO 147 CO 0.48 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.93 3jry n TYR 148 N -2.90 0.56 -1.53 0.65 4.01 -1.26 -4.94 117.16 111.75 3jry n TYR 148 Ca -0.01 -0.34 -0.47 0.00 -0.16 0.00 0.00 57.90 56.92 3jry n TYR 148 Cb 0.17 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3jry n TYR 148 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3jry n PHE 149 N 1.23 0.74 -1.99 -0.72 7.35 -0.37 -4.69 117.46 119.01 3jry n PHE 149 Ca 0.18 0.79 -0.41 0.00 -0.76 0.00 0.00 57.45 57.24 3jry n PHE 149 Cb 0.54 -2.17 -0.03 0.00 0.35 0.00 0.00 39.48 38.17 3jry n PHE 149 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3jry s TYR 150 N -0.78 1.74 0.16 -5.13 5.04 -1.26 -4.92 117.35 112.19 3jry s TYR 150 Ca 0.65 0.72 -0.23 0.00 -2.44 0.00 0.00 57.07 55.77 3jry s TYR 150 Cb -0.83 -4.09 0.05 0.00 0.35 0.00 0.00 41.96 37.44 3jry s TYR 150 CO 0.57 -2.75 1.61 0.00 -1.34 0.00 0.00 175.55 173.64 3jry h ALA 151 N 13.74 -0.16 0.00 3.97 0.00 -1.95 -1.49 119.26 133.37 3jry h ALA 151 Ca -0.31 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3jry h ALA 151 Cb 1.17 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3jry h ALA 151 CO 1.09 -0.70 -0.07 -1.35 0.00 0.00 0.00 179.25 178.21 3jry h PRO 152 N -0.25 0.00 0.04 0.00 0.11 -1.93 -2.50 132.00 127.47 3jry h PRO 152 Ca 0.16 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.04 3jry h PRO 152 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3jry h PRO 152 CO -0.49 0.07 -1.02 0.93 -0.21 0.00 0.00 178.00 177.29 3jry h GLU 153 N 0.00 0.31 -0.64 1.05 4.39 -1.70 -3.09 114.58 114.89 3jry h GLU 153 Ca -0.00 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.34 3jry h GLU 153 Cb 0.46 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 3jry h GLU 153 CO 0.01 1.10 0.42 1.25 -1.16 0.00 0.00 179.01 180.64 3jry h LEU 154 N 0.15 0.68 -1.12 1.33 5.85 -0.93 -1.22 115.31 120.05 3jry h LEU 154 Ca -0.09 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3jry h LEU 154 Cb 1.68 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 3jry h LEU 154 CO 0.17 0.48 0.59 -0.07 -0.34 0.00 0.00 178.44 179.27 3jry h LEU 155 N 0.79 1.02 -0.35 2.25 3.38 -1.45 -1.30 115.31 119.65 3jry h LEU 155 Ca 0.25 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 3jry h LEU 155 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3jry h LEU 155 CO -0.07 0.73 -0.38 0.15 0.09 0.00 0.00 178.44 178.97 3jry h PHE 156 N 1.20 1.06 -0.07 1.13 3.57 -1.26 -1.62 116.94 120.95 3jry h PHE 156 Ca 0.33 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3jry h PHE 156 Cb -0.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 3jry h PHE 156 CO -0.00 1.14 0.04 0.74 -2.23 0.00 0.00 178.31 178.00 3jry h PHE 157 N 0.68 0.07 -0.06 0.41 0.04 -0.95 -2.07 116.94 115.06 3jry h PHE 157 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 3jry h PHE 157 Cb 0.97 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3jry h PHE 157 CO 0.07 0.04 -0.18 0.00 -0.60 0.00 0.00 178.31 177.64 3jry h ALA 158 N 1.04 1.59 -0.48 2.45 0.00 -1.19 0.23 119.26 122.90 3jry h ALA 158 Ca 0.03 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3jry h ALA 158 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3jry h ALA 158 CO -0.02 0.30 -0.19 -0.22 0.00 0.00 0.00 179.25 179.12 3jry h LYS 159 N 0.09 0.96 -0.20 0.00 3.64 -1.07 -1.90 116.57 118.09 3jry h LYS 159 Ca 0.02 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 3jry h LYS 159 Cb 0.38 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3jry h LYS 159 CO 0.03 1.06 -0.46 0.00 -2.27 0.00 0.00 179.45 177.81 3jry h ARG 160 N 0.84 0.52 -0.09 1.90 3.08 -0.57 -2.80 114.38 117.26 3jry h ARG 160 Ca 0.12 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3jry h ARG 160 Cb 0.76 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3jry h ARG 160 CO 0.06 0.87 0.04 -0.92 -1.07 0.00 0.00 179.97 178.95 3jry h TYR 161 N 0.42 0.13 -0.91 3.04 3.20 -0.46 -1.93 116.97 120.46 3jry h TYR 161 Ca 0.03 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.01 3jry h TYR 161 Cb 0.96 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3jry h TYR 161 CO 0.04 0.20 0.59 -0.22 -1.64 0.00 0.00 178.16 177.12 3jry h LYS 162 N 0.03 0.82 -0.28 1.82 3.64 -1.37 -2.60 116.57 118.62 3jry h LYS 162 Ca 0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3jry h LYS 162 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3jry h LYS 162 CO -0.00 0.55 -0.24 0.00 -2.27 0.00 0.00 179.45 177.48 3jry h ALA 163 N 1.57 1.06 -0.34 5.00 0.00 -1.09 -1.70 119.26 123.76 3jry h ALA 163 Ca 0.44 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3jry h ALA 163 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jry h ALA 163 CO -0.20 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.39 3jry h ALA 164 N 1.27 0.48 -0.24 0.00 0.00 -0.99 -2.76 119.26 117.02 3jry h ALA 164 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3jry h ALA 164 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3jry h ALA 164 CO 0.05 0.45 -0.15 0.74 0.00 0.00 0.00 179.25 180.34 3jry h PHE 165 N 0.52 0.62 -0.98 0.00 0.04 -1.41 -0.97 116.94 114.76 3jry h PHE 165 Ca 0.07 -0.16 0.10 0.00 2.80 0.00 0.00 57.97 60.77 3jry h PHE 165 Cb 0.79 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.72 3jry h PHE 165 CO 0.06 0.82 0.63 1.15 -0.60 0.00 0.00 178.31 180.37 3jry h THR 166 N 0.24 0.98 0.15 -1.55 2.02 -1.35 -1.75 112.91 111.65 3jry h THR 166 Ca 0.05 -0.35 -0.27 0.00 0.77 0.00 0.00 66.41 66.60 3jry h THR 166 Cb 0.68 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3jry h THR 166 CO 0.04 0.19 -1.32 -0.08 0.37 0.00 0.00 175.52 174.72 3jry h GLU 167 N 1.03 0.32 0.00 6.66 4.81 -1.38 -3.40 114.58 122.61 3jry h GLU 167 Ca 0.46 -0.55 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 3jry h GLU 167 Cb 0.37 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3jry h GLU 167 CO -0.22 1.26 -1.09 0.00 -0.73 0.00 0.00 179.01 178.23 3jry n GLN 170 N -0.95 2.64 -4.47 0.00 10.64 -1.22 -5.06 117.38 118.95 3jry n GLN 170 Ca 0.09 -3.84 -0.24 0.00 -1.83 0.00 0.00 57.00 51.19 3jry n GLN 170 Cb 0.04 -1.93 -0.10 0.00 -0.86 0.00 0.00 30.24 27.39 3jry n GLN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3jry s ALA 171 N -3.68 2.67 0.09 2.61 0.00 -0.91 -5.07 121.76 117.46 3jry s ALA 171 Ca 0.39 -1.92 -0.36 0.00 0.00 0.00 0.00 51.96 50.07 3jry s ALA 171 Cb 0.37 -0.12 -0.17 0.00 0.00 0.00 0.00 23.12 23.20 3jry s ALA 171 CO -0.01 0.15 1.56 0.00 0.00 0.00 0.00 175.76 177.47 3jry h ALA 172 N 2.23 -1.13 -2.58 0.00 0.00 -1.98 -3.32 119.26 112.49 3jry h ALA 172 Ca -0.40 -0.18 -0.73 0.00 0.00 0.00 0.00 54.91 53.60 3jry h ALA 172 Cb 1.25 0.78 -0.29 0.00 0.00 0.00 0.00 17.79 19.53 3jry h ALA 172 CO 0.64 -1.18 -0.33 0.34 0.00 0.00 0.00 179.25 178.72 3jry s ASP 173 N -4.43 5.83 0.03 0.00 -1.08 -1.26 -4.97 116.67 110.78 3jry s ASP 173 Ca -0.18 -1.99 -0.26 0.00 -0.52 0.00 0.00 52.55 49.60 3jry s ASP 173 Cb 0.05 -2.05 -0.17 0.00 -1.46 0.00 0.00 42.92 39.29 3jry s ASP 173 CO 0.61 -0.70 1.37 0.11 0.52 0.00 0.00 175.17 177.08 3jry h LYS 174 N 8.41 -0.37 -0.37 4.34 1.57 -1.78 -2.92 116.57 125.44 3jry h LYS 174 Ca -0.20 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3jry h LYS 174 Cb 1.07 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3jry h LYS 174 CO 0.88 -0.09 0.26 0.00 -0.57 0.00 0.00 179.45 179.93 3jry h ALA 175 N -0.02 2.27 0.00 3.86 0.00 -1.93 0.81 119.26 124.25 3jry h ALA 175 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3jry h ALA 175 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jry h ALA 175 CO 0.06 -0.37 -0.31 0.00 0.00 0.00 0.00 179.25 178.63 3jry h ALA 176 N 1.81 0.82 0.05 0.00 0.00 -1.97 -2.68 119.26 117.30 3jry h ALA 176 Ca 0.18 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 3jry h ALA 176 Cb 0.62 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3jry h ALA 176 CO -0.01 0.39 -1.89 0.00 0.00 0.00 0.00 179.25 177.74 3jry h LEU 178 N 0.03 0.00 -1.44 0.00 5.85 -0.97 -3.38 115.31 115.40 3jry h LEU 178 Ca -0.37 -0.71 0.07 0.00 0.84 0.00 0.00 57.88 57.71 3jry h LEU 178 Cb 2.03 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 3jry h LEU 178 CO 0.07 1.27 0.45 -0.07 -0.34 0.00 0.00 178.44 179.82 3jry h LEU 179 N -1.00 0.60 -1.18 2.25 3.38 -1.71 -0.77 115.31 116.88 3jry h LEU 179 Ca -0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3jry h LEU 179 Cb 1.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3jry h LEU 179 CO -0.12 0.39 -0.10 -0.65 0.09 0.00 0.00 178.44 178.05 3jry h PRO 180 N 0.68 0.00 0.07 1.13 0.11 -1.80 -0.66 132.00 131.52 3jry h PRO 180 Ca 0.30 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.11 3jry h PRO 180 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3jry h PRO 180 CO -0.10 0.10 -1.59 0.87 -0.21 0.00 0.00 178.00 177.07 3jry h LYS 181 N 0.00 0.14 -0.16 1.05 1.57 -1.37 -3.07 116.57 114.73 3jry h LYS 181 Ca -0.00 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 3jry h LYS 181 Cb 0.66 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3jry h LYS 181 CO 0.01 0.92 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.30 3jry h LEU 182 N 0.04 0.66 -1.05 2.94 3.38 -1.18 -2.55 115.31 117.55 3jry h LEU 182 Ca -0.25 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.10 3jry h LEU 182 Cb 1.99 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 3jry h LEU 182 CO 0.12 1.13 0.24 0.44 0.09 0.00 0.00 178.44 180.46 3jry h ASP 183 N 0.23 0.84 0.05 -0.43 3.32 -1.25 -0.78 116.42 118.39 3jry h ASP 183 Ca -0.01 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 3jry h ASP 183 Cb 1.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3jry h ASP 183 CO 0.09 0.76 -0.59 -0.08 -1.72 0.00 0.00 179.24 177.70 3jry h GLU 184 N 0.90 0.55 -0.51 3.56 4.81 -1.58 -2.68 114.58 119.62 3jry h GLU 184 Ca 0.21 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 3jry h GLU 184 Cb 0.19 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3jry h GLU 184 CO -0.02 0.98 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.11 3jry h LEU 185 N 0.41 0.94 -0.79 1.64 3.38 -1.06 -2.26 115.31 117.57 3jry h LEU 185 Ca -0.00 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3jry h LEU 185 Cb 1.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3jry h LEU 185 CO 0.11 1.05 0.33 -0.09 0.09 0.00 0.00 178.44 179.93 3jry h ARG 186 N 0.81 1.18 -0.34 1.13 2.43 -1.10 -0.51 114.38 117.99 3jry h ARG 186 Ca 0.14 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3jry h ARG 186 Cb 0.61 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3jry h ARG 186 CO 0.04 0.95 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.84 3jry h ASP 187 N 1.15 0.61 -0.23 -3.80 3.32 -1.40 -2.25 116.42 113.82 3jry h ASP 187 Ca 0.27 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 3jry h ASP 187 Cb 0.20 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3jry h ASP 187 CO -0.02 0.80 -0.39 -0.08 -1.72 0.00 0.00 179.24 177.83 3jry h GLU 188 N 0.56 0.67 -0.90 3.56 4.81 -0.99 -2.97 114.58 119.32 3jry h GLU 188 Ca 0.09 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3jry h GLU 188 Cb 0.61 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3jry h GLU 188 CO 0.04 1.03 0.52 0.78 -0.73 0.00 0.00 179.01 180.65 3jry h GLY 189 N 0.38 1.32 0.93 1.92 0.00 -1.00 -1.31 103.07 105.31 3jry h GLY 189 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3jry h GLY 189 CO 0.09 0.56 0.13 0.50 0.00 0.00 0.00 176.54 177.81 3jry h LYS 190 N 1.25 0.38 -0.52 4.80 1.57 -1.38 -1.26 116.57 121.41 3jry h LYS 190 Ca 0.32 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3jry h LYS 190 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3jry h LYS 190 CO -0.06 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 3jry h ALA 191 N 0.99 0.70 -0.41 3.86 0.00 -1.40 -2.58 119.26 120.42 3jry h ALA 191 Ca 0.09 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3jry h ALA 191 Cb 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3jry h ALA 191 CO -0.01 0.51 0.03 1.03 0.00 0.00 0.00 179.25 180.81 3jry h SER 192 N 0.79 -0.10 -0.57 0.00 0.87 -1.10 -1.85 113.55 111.57 3jry h SER 192 Ca 0.15 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 3jry h SER 192 Cb 0.52 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3jry h SER 192 CO 0.03 -0.02 0.05 -1.28 -0.53 0.00 0.00 176.83 175.08 3jry h SER 193 N 0.15 0.97 -0.39 6.23 0.87 -1.14 -2.52 113.55 117.73 3jry h SER 193 Ca 0.20 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 3jry h SER 193 Cb 0.28 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3jry h SER 193 CO -0.31 1.00 -0.01 0.00 -0.53 0.00 0.00 176.83 176.98 3jry h ALA 194 N 1.10 0.52 -0.52 6.23 0.00 -1.10 -1.13 119.26 124.37 3jry h ALA 194 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3jry h ALA 194 Cb 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3jry h ALA 194 CO 0.02 0.31 0.28 0.87 0.00 0.00 0.00 179.25 180.73 3jry h LYS 195 N 0.51 0.54 -0.28 0.00 1.57 -1.31 -2.86 116.57 114.74 3jry h LYS 195 Ca 0.11 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3jry h LYS 195 Cb 0.49 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3jry h LYS 195 CO 0.02 0.36 -0.25 0.37 -0.57 0.00 0.00 179.45 179.38 3jry h GLN 196 N 0.56 0.54 -0.14 3.15 5.75 -1.26 -2.67 115.11 121.03 3jry h GLN 196 Ca 0.22 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3jry h GLN 196 Cb 0.10 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3jry h GLN 196 CO -0.14 0.74 0.02 -0.09 -2.65 0.00 0.00 178.83 176.71 3jry h ARG 197 N 0.47 0.20 -0.10 1.69 9.65 -1.02 -1.14 114.38 124.13 3jry h ARG 197 Ca 0.07 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.75 3jry h ARG 197 Cb 0.68 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 3jry h ARG 197 CO 0.05 0.20 -0.67 1.25 2.80 0.00 0.00 179.97 183.61 3jry h LEU 198 N 0.20 0.48 -0.50 3.80 5.85 -1.27 -2.53 115.31 121.33 3jry h LEU 198 Ca 0.05 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3jry h LEU 198 Cb 0.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3jry h LEU 198 CO -0.00 1.01 0.04 0.11 -0.34 0.00 0.00 178.44 179.26 3jry h LYS 199 N 0.29 0.85 -0.29 1.25 1.57 -0.97 -2.14 116.57 117.14 3jry h LYS 199 Ca -0.02 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 3jry h LYS 199 Cb 1.23 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3jry h LYS 199 CO 0.12 0.87 -0.34 0.00 -0.57 0.00 0.00 179.45 179.52 3jry h ALA 201 N 0.70 0.81 0.25 0.00 0.00 -1.45 0.11 119.26 119.67 3jry h ALA 201 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jry h ALA 201 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3jry h ALA 201 CO 0.08 -0.06 -0.35 0.77 0.00 0.00 0.00 179.25 179.69 3jry h SER 202 N 0.56 -0.99 -0.41 0.00 0.02 -1.30 0.36 113.55 111.78 3jry h SER 202 Ca 0.29 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.36 3jry h SER 202 Cb 0.24 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3jry h SER 202 CO -0.22 -0.47 0.23 -0.07 -1.14 0.00 0.00 176.83 175.16 3jry h LEU 203 N -0.66 0.36 0.05 5.07 3.38 -1.20 -0.35 115.31 121.95 3jry h LEU 203 Ca 0.00 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 3jry h LEU 203 Cb 0.64 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3jry h LEU 203 CO -0.13 0.26 -1.18 1.56 0.09 0.00 0.00 178.44 179.04 3jry h GLN 204 N 0.46 0.33 0.00 1.13 4.20 -0.63 -3.03 115.11 117.57 3jry h GLN 204 Ca 0.17 -0.49 -0.38 0.00 0.06 0.00 0.00 58.65 58.01 3jry h GLN 204 Cb 0.04 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 27.92 3jry h GLN 204 CO -0.09 1.20 -2.44 1.63 -0.67 0.00 0.00 178.83 178.46 3jry n LYS 205 N -3.60 0.66 -0.00 1.46 4.76 0.12 -4.66 118.16 116.89 3jry n LYS 205 Ca -0.08 0.12 0.07 0.00 -2.87 0.00 0.00 58.31 55.54 3jry n LYS 205 Cb 0.98 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 32.56 3jry n LYS 205 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3jry n PHE 206 N -3.17 0.00 0.00 2.13 3.72 -0.74 -5.06 117.46 114.34 3jry n PHE 206 Ca -0.43 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3jry n PHE 206 Cb 1.01 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 3jry n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jry n GLY 207 N 1.52 1.73 0.37 1.37 0.00 -0.22 -4.39 105.19 105.57 3jry n GLY 207 Ca -0.00 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.09 3jry n GLY 207 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 208 N 0.00 1.12 -0.83 1.61 4.81 -1.83 -2.12 114.58 117.34 3jry h GLU 208 Ca 0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3jry h GLU 208 Cb 0.00 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 3jry h GLU 208 CO 0.00 0.74 0.54 -0.09 -0.73 0.00 0.00 179.01 179.47 3jry h ARG 209 N 1.16 1.10 0.22 1.92 2.43 -1.95 -1.81 114.38 117.45 3jry h ARG 209 Ca 0.42 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3jry h ARG 209 Cb 0.15 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3jry h ARG 209 CO -0.16 0.74 -0.11 0.00 -1.51 0.00 0.00 179.97 178.93 3jry h ALA 210 N 1.46 -0.30 -0.76 2.80 0.00 -1.59 -2.40 119.26 118.48 3jry h ALA 210 Ca 0.30 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3jry h ALA 210 Cb -0.11 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3jry h ALA 210 CO -0.06 -0.65 0.43 0.35 0.00 0.00 0.00 179.25 179.32 3jry h PHE 211 N -0.33 0.79 -0.20 0.00 3.57 -1.40 -2.55 116.94 116.83 3jry h PHE 211 Ca -0.03 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3jry h PHE 211 Cb 0.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3jry h PHE 211 CO -0.05 0.36 -0.37 0.87 -2.23 0.00 0.00 178.31 176.89 3jry h LYS 212 N 0.77 0.44 -0.04 1.11 1.57 -1.25 -1.39 116.57 117.78 3jry h LYS 212 Ca 0.35 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3jry h LYS 212 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3jry h LYS 212 CO -0.21 0.74 0.02 0.00 -0.57 0.00 0.00 179.45 179.44 3jry h ALA 213 N 1.24 0.05 -0.53 3.86 0.00 -1.23 -0.60 119.26 122.06 3jry h ALA 213 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3jry h ALA 213 Cb 0.82 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3jry h ALA 213 CO 0.07 -0.45 0.15 2.35 0.00 0.00 0.00 179.25 181.37 3jry h TRP 214 N 0.03 0.25 -0.26 0.00 7.01 -1.15 -2.39 115.95 119.44 3jry h TRP 214 Ca 0.01 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.89 3jry h TRP 214 Cb 0.01 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3jry h TRP 214 CO -0.07 0.04 -0.44 0.00 -2.79 0.00 0.00 178.44 175.18 3jry h ALA 215 N 1.38 0.72 -0.16 2.65 0.00 -1.08 -0.97 119.26 121.81 3jry h ALA 215 Ca 0.26 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3jry h ALA 215 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 215 CO -0.30 0.67 0.00 0.28 0.00 0.00 0.00 179.25 179.89 3jry h VAL 216 N 0.54 0.89 -0.04 0.00 2.07 -0.93 -0.95 116.25 117.83 3jry h VAL 216 Ca 0.04 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3jry h VAL 216 Cb 0.99 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3jry h VAL 216 CO 0.09 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.71 3jry h ALA 217 N 1.13 0.05 0.06 1.67 0.00 -1.31 -2.29 119.26 118.57 3jry h ALA 217 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jry h ALA 217 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jry h ALA 217 CO -0.12 -0.36 -0.03 -0.09 0.00 0.00 0.00 179.25 178.65 3jry h ARG 218 N -0.10 -0.08 0.00 0.00 9.65 -1.09 -2.53 114.38 120.23 3jry h ARG 218 Ca 0.01 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 3jry h ARG 218 Cb 0.17 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3jry h ARG 218 CO -0.00 -0.01 -0.20 -0.07 2.80 0.00 0.00 179.97 182.49 3jry h LEU 219 N -0.14 0.00 -0.25 3.80 3.38 -1.23 -2.65 115.31 118.21 3jry h LEU 219 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3jry h LEU 219 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3jry h LEU 219 CO 0.01 0.20 -0.60 0.28 0.09 0.00 0.00 178.44 178.43 3jry h SER 220 N 0.00 0.97 -0.99 -0.43 0.02 -1.26 0.20 113.55 112.06 3jry h SER 220 Ca -0.00 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3jry h SER 220 Cb 0.60 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 3jry h SER 220 CO 0.03 1.35 0.65 1.56 -1.14 0.00 0.00 176.83 179.28 3jry h GLN 221 N 0.63 1.24 0.22 3.45 4.20 -1.21 -3.05 115.11 120.60 3jry h GLN 221 Ca -0.00 -0.07 -0.35 0.00 0.06 0.00 0.00 58.65 58.29 3jry h GLN 221 Cb 1.22 -0.28 0.03 0.00 0.30 0.00 0.00 27.48 28.74 3jry h GLN 221 CO 0.13 0.82 -1.61 -0.09 -0.67 0.00 0.00 178.83 177.41 3jry h ARG 222 N 1.28 0.48 -2.28 1.46 2.43 -1.28 -3.39 114.38 113.07 3jry h ARG 222 Ca 0.38 -0.81 -0.63 0.00 -0.81 0.00 0.00 59.98 58.10 3jry h ARG 222 Cb -0.06 0.30 -0.39 0.00 -0.42 0.00 0.00 29.97 29.41 3jry h ARG 222 CO -0.11 1.39 -0.31 1.19 -1.51 0.00 0.00 179.97 180.63 3jry n PHE 223 N -3.66 3.80 0.27 2.20 3.72 0.67 -2.06 117.46 122.40 3jry n PHE 223 Ca -0.21 -3.72 0.18 0.00 -0.05 0.00 0.00 57.45 53.66 3jry n PHE 223 Cb 1.09 -0.63 0.91 0.00 -0.94 0.00 0.00 39.48 39.90 3jry n PHE 223 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3jry h PRO 224 N 3.25 0.00 0.00 -1.08 0.11 -1.72 -1.97 132.00 130.59 3jry h PRO 224 Ca 0.21 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 3jry h PRO 224 Cb 0.47 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3jry h PRO 224 CO 0.89 0.00 -0.89 0.87 -0.21 0.00 0.00 178.00 178.67 3jry h LYS 225 N 0.00 0.00 -6.90 1.05 1.57 -1.83 -3.43 116.57 107.02 3jry h LYS 225 Ca 0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 3jry h LYS 225 Cb 0.49 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.87 3jry h LYS 225 CO -0.00 0.30 0.63 0.00 -0.57 0.00 0.00 179.45 179.81 3jry s ALA 226 N -3.03 3.42 1.03 3.86 0.00 -0.74 -4.94 121.76 121.36 3jry s ALA 226 Ca 0.01 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 3jry s ALA 226 Cb 0.08 -3.48 0.21 0.00 0.00 0.00 0.00 23.12 19.93 3jry s ALA 226 CO 0.77 -0.71 1.08 0.39 0.00 0.00 0.00 175.76 177.30 3jry n GLU 227 N 0.57 -1.34 -0.02 0.00 -0.58 -1.26 -4.80 120.64 113.20 3jry n GLU 227 Ca 0.01 -0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 56.36 3jry n GLU 227 Cb 0.42 -2.28 0.16 0.00 -0.57 0.00 0.00 31.44 29.17 3jry n GLU 227 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3jry h PHE 228 N -2.25 0.65 -0.66 -0.32 3.57 -1.99 -1.72 116.94 114.22 3jry h PHE 228 Ca -0.51 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 60.77 3jry h PHE 228 Cb 1.30 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3jry h PHE 228 CO 0.40 0.77 0.10 0.00 -2.23 0.00 0.00 178.31 177.36 3jry h ALA 229 N 1.23 0.94 -0.55 2.41 0.00 -1.99 -0.51 119.26 120.78 3jry h ALA 229 Ca 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3jry h ALA 229 Cb 0.69 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3jry h ALA 229 CO 0.05 0.66 -0.07 0.93 0.00 0.00 0.00 179.25 180.83 3jry h GLU 230 N 1.02 1.00 -0.26 0.00 4.39 -1.87 -2.08 114.58 116.77 3jry h GLU 230 Ca 0.20 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3jry h GLU 230 Cb 0.44 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3jry h GLU 230 CO 0.01 1.02 0.16 0.28 -1.16 0.00 0.00 179.01 179.32 3jry h VAL 231 N 0.90 1.10 -0.89 3.13 2.07 -1.06 -2.67 116.25 118.82 3jry h VAL 231 Ca 0.15 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3jry h VAL 231 Cb 0.62 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3jry h VAL 231 CO 0.04 0.10 0.51 0.28 0.02 0.00 0.00 177.57 178.51 3jry h SER 232 N 0.32 1.10 -0.60 0.57 0.02 -0.96 -0.61 113.55 113.40 3jry h SER 232 Ca 0.09 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3jry h SER 232 Cb 0.02 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3jry h SER 232 CO -0.02 0.87 0.27 0.50 -1.14 0.00 0.00 176.83 177.31 3jry h LYS 233 N 1.24 0.87 -0.36 3.45 3.11 -1.28 -0.95 116.57 122.67 3jry h LYS 233 Ca 0.32 -0.14 -0.04 0.00 -2.81 0.00 0.00 60.65 57.98 3jry h LYS 233 Cb -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 3jry h LYS 233 CO -0.05 0.72 0.06 -0.07 -2.81 0.00 0.00 179.45 177.30 3jry h LEU 234 N 0.82 0.56 -0.57 5.20 3.38 -1.05 -2.29 115.31 121.36 3jry h LEU 234 Ca 0.20 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3jry h LEU 234 Cb 0.15 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3jry h LEU 234 CO -0.02 0.67 0.24 0.58 0.09 0.00 0.00 178.44 180.00 3jry h VAL 235 N 0.43 0.84 -0.49 1.22 2.07 -0.85 0.40 116.25 119.87 3jry h VAL 235 Ca 0.11 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3jry h VAL 235 Cb 0.35 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3jry h VAL 235 CO 0.01 0.08 0.30 0.74 0.02 0.00 0.00 177.57 178.72 3jry h THR 236 N 0.44 1.15 -0.40 2.57 2.02 -1.00 -0.66 112.91 117.03 3jry h THR 236 Ca 0.28 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 3jry h THR 236 Cb 0.29 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3jry h THR 236 CO -0.25 0.15 -0.30 0.44 0.37 0.00 0.00 175.52 175.93 3jry h ASP 237 N 0.65 0.96 0.10 4.18 3.32 -1.01 -2.88 116.42 121.74 3jry h ASP 237 Ca 0.18 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 3jry h ASP 237 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3jry h ASP 237 CO -0.03 1.19 -0.28 0.25 -1.72 0.00 0.00 179.24 178.65 3jry h LEU 238 N 0.73 0.29 -0.54 1.55 5.85 -0.74 -2.70 115.31 119.74 3jry h LEU 238 Ca 0.08 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 3jry h LEU 238 Cb 0.88 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3jry h LEU 238 CO 0.08 0.57 -0.39 0.74 -0.34 0.00 0.00 178.44 179.10 3jry h THR 239 N 0.26 1.29 -0.23 1.05 2.02 -1.07 -2.67 112.91 113.56 3jry h THR 239 Ca 0.04 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 3jry h THR 239 Cb 0.63 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3jry h THR 239 CO 0.05 0.51 0.09 0.50 0.37 0.00 0.00 175.52 177.03 3jry h LYS 240 N 0.61 0.34 -0.22 6.66 3.64 -1.35 -1.43 116.57 124.83 3jry h LYS 240 Ca 0.05 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3jry h LYS 240 Cb 0.94 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 3jry h LYS 240 CO 0.09 0.39 -0.48 0.28 -2.27 0.00 0.00 179.45 177.46 3jry h VAL 241 N 0.22 0.07 0.00 2.00 2.07 -1.41 -1.53 116.25 117.67 3jry h VAL 241 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3jry h VAL 241 Cb 0.18 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3jry h VAL 241 CO -0.01 0.00 -0.33 0.45 0.02 0.00 0.00 177.57 177.71 3jry h HIS 242 N -0.48 0.00 -0.35 1.57 3.86 -1.44 -1.11 115.15 117.20 3jry h HIS 242 Ca 0.07 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 3jry h HIS 242 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3jry h HIS 242 CO -0.58 0.33 0.01 1.15 0.86 0.00 0.00 177.93 179.70 3jry h THR 243 N 0.00 1.26 -0.11 2.45 2.02 -0.96 0.80 112.91 118.36 3jry h THR 243 Ca -0.00 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 3jry h THR 243 Cb 0.74 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3jry h THR 243 CO 0.04 0.31 -0.03 -0.33 0.37 0.00 0.00 175.52 175.89 3jry h GLU 244 N 0.42 0.20 0.03 6.66 5.08 -0.97 -1.55 114.58 124.45 3jry h GLU 244 Ca 0.10 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3jry h GLU 244 Cb 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3jry h GLU 244 CO 0.02 0.51 -0.06 0.00 -1.00 0.00 0.00 179.01 178.48 3jry n HIS 247 N -3.46 0.07 -0.70 0.00 -0.00 -0.59 -4.93 115.22 105.61 3jry n HIS 247 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 3jry n HIS 247 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 3jry n HIS 247 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3jry n GLY 248 N 1.17 0.63 3.13 1.57 0.00 -0.67 -4.99 105.19 106.04 3jry n GLY 248 Ca 0.18 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3jry n GLY 248 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jry n ASP 249 N 0.23 5.78 0.04 1.61 8.00 0.89 -4.86 116.55 128.24 3jry n ASP 249 Ca 0.00 -3.20 -0.20 0.00 0.71 0.00 0.00 54.79 52.10 3jry n ASP 249 Cb 0.00 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 39.61 3jry n ASP 249 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jry h LEU 250 N 6.76 0.90 -0.45 0.64 3.38 -1.88 -2.46 115.31 122.20 3jry h LEU 250 Ca 0.25 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3jry h LEU 250 Cb 0.72 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3jry h LEU 250 CO 1.29 1.53 0.20 -0.07 0.09 0.00 0.00 178.44 181.48 3jry h LEU 251 N 0.36 0.25 -0.21 1.67 3.38 -1.90 -0.27 115.31 118.58 3jry h LEU 251 Ca -0.13 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 3jry h LEU 251 Cb 1.71 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3jry h LEU 251 CO 0.21 0.18 -0.90 1.05 0.09 0.00 0.00 178.44 179.07 3jry h GLU 252 N 0.39 0.42 -0.11 1.13 9.09 -1.98 -1.77 114.58 121.76 3jry h GLU 252 Ca 0.20 -0.43 0.04 0.00 0.05 0.00 0.00 59.36 59.23 3jry h GLU 252 Cb 0.16 0.12 -0.05 0.00 -1.65 0.00 0.00 28.75 27.32 3jry h GLU 252 CO -0.17 1.09 -0.18 0.00 0.05 0.00 0.00 179.01 179.79 3jry h ALA 254 N 0.77 1.07 -0.11 0.00 0.00 -1.01 -0.37 119.26 119.61 3jry h ALA 254 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3jry h ALA 254 Cb 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jry h ALA 254 CO -0.25 0.31 -0.06 0.22 0.00 0.00 0.00 179.25 179.46 3jry h ASP 255 N 0.98 0.25 -0.34 0.00 1.82 -0.77 -2.18 116.42 116.18 3jry h ASP 255 Ca 0.33 -0.43 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 3jry h ASP 255 Cb 0.05 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 3jry h ASP 255 CO -0.13 0.62 0.11 0.44 -1.61 0.00 0.00 179.24 178.67 3jry h ASP 256 N -0.13 0.56 -0.08 2.28 3.32 -0.11 -2.12 116.42 120.14 3jry h ASP 256 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3jry h ASP 256 Cb 0.53 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3jry h ASP 256 CO 0.02 0.55 0.01 -0.09 -1.72 0.00 0.00 179.24 178.01 3jry h ARG 257 N 0.60 0.13 -0.84 3.56 2.43 -0.94 -2.41 114.38 116.91 3jry h ARG 257 Ca 0.14 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.42 3jry h ARG 257 Cb 0.22 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.66 3jry h ARG 257 CO -0.00 0.36 0.41 0.00 -1.51 0.00 0.00 179.97 179.22 3jry h ALA 258 N 0.77 1.25 -0.99 2.80 0.00 -1.01 -1.81 119.26 120.27 3jry h ALA 258 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3jry h ALA 258 Cb 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3jry h ALA 258 CO 0.00 -0.12 0.65 -0.44 0.00 0.00 0.00 179.25 179.34 3jry h ASP 259 N 0.58 1.09 -0.23 0.00 3.32 -1.14 -2.91 116.42 117.14 3jry h ASP 259 Ca 0.46 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.39 3jry h ASP 259 Cb 0.67 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3jry h ASP 259 CO -0.38 0.75 -0.27 0.25 -1.72 0.00 0.00 179.24 177.88 3jry h LEU 260 N 1.27 0.63 -0.75 1.55 5.85 -0.85 -1.30 115.31 121.71 3jry h LEU 260 Ca 0.39 -0.49 0.15 0.00 0.84 0.00 0.00 57.88 58.77 3jry h LEU 260 Cb -0.02 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 40.73 3jry h LEU 260 CO -0.12 1.00 0.27 0.00 -0.34 0.00 0.00 178.44 179.25 3jry h ALA 261 N 0.66 1.05 0.01 1.25 0.00 -1.43 -1.08 119.26 119.71 3jry h ALA 261 Ca 0.03 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3jry h ALA 261 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3jry h ALA 261 CO 0.06 -0.26 -0.88 -0.22 0.00 0.00 0.00 179.25 177.96 3jry h LYS 262 N 0.39 0.15 -0.65 0.00 3.64 -1.35 -0.83 116.57 117.93 3jry h LYS 262 Ca 0.42 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3jry h LYS 262 Cb 0.67 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3jry h LYS 262 CO -0.44 0.93 0.28 -0.92 -2.27 0.00 0.00 179.45 177.04 3jry h TYR 263 N 0.08 0.96 -0.06 1.91 3.20 -0.88 -2.67 116.97 119.52 3jry h TYR 263 Ca -0.04 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3jry h TYR 263 Cb 1.52 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 3jry h TYR 263 CO 0.02 0.74 -0.03 0.82 -1.64 0.00 0.00 178.16 178.08 3jry h ILE 264 N 0.90 1.32 0.00 1.81 2.04 -1.00 -2.73 117.51 119.85 3jry h ILE 264 Ca 0.22 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3jry h ILE 264 Cb 0.16 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3jry h ILE 264 CO -0.02 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.40 3jry n GLU 266 N -2.74 0.65 -2.82 0.00 1.02 -1.01 -4.35 120.64 111.39 3jry n GLU 266 Ca -0.02 -0.35 -0.01 0.00 -0.02 0.00 0.00 57.16 56.76 3jry n GLU 266 Cb 0.08 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.06 3jry n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jry n ASN 267 N -0.87 1.38 0.02 1.62 3.02 -0.72 -4.93 115.26 114.79 3jry n ASN 267 Ca 0.11 -2.09 0.03 0.00 -0.03 0.00 0.00 54.58 52.60 3jry n ASN 267 Cb 0.33 -0.41 0.39 0.00 -0.61 0.00 0.00 39.78 39.48 3jry n ASN 267 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3jry h GLN 268 N 2.55 0.48 0.00 3.52 4.20 -1.74 -1.92 115.11 122.20 3jry h GLN 268 Ca -0.15 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3jry h GLN 268 Cb 1.26 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 3jry h GLN 268 CO 0.18 0.41 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.31 3jry h ASP 269 N 0.48 0.00 -0.26 1.46 3.32 -1.92 -1.29 116.42 118.22 3jry h ASP 269 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3jry h ASP 269 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3jry h ASP 269 CO -0.01 0.01 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 3jry n SER 270 N -3.66 2.82 0.10 6.45 7.64 -0.73 -4.76 113.62 121.47 3jry n SER 270 Ca -0.03 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.02 3jry n SER 270 Cb 0.09 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3jry n SER 270 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3jry n ILE 271 N 0.92 0.60 -3.55 0.44 5.41 -0.90 -4.35 119.36 117.93 3jry n ILE 271 Ca 0.13 0.20 -0.10 0.00 1.00 0.00 0.00 62.75 63.97 3jry n ILE 271 Cb 0.45 -1.04 -0.04 0.00 -0.71 0.00 0.00 39.64 38.29 3jry n ILE 271 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3jry s SER 272 N -5.48 -0.39 0.00 4.38 0.15 -0.53 -4.06 113.70 107.77 3jry s SER 272 Ca 0.00 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.18 3jry s SER 272 Cb 0.00 0.35 0.62 0.00 -1.71 0.00 0.00 66.02 65.28 3jry s SER 272 CO 0.00 -0.46 1.49 -1.54 1.20 0.00 0.00 173.24 173.93 3jry n SER 273 N 0.38 1.61 -1.27 5.45 3.41 -1.26 -4.11 113.62 117.83 3jry n SER 273 Ca -0.10 -1.33 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 3jry n SER 273 Cb 0.59 0.14 0.28 0.00 -0.26 0.00 0.00 64.21 64.97 3jry n SER 273 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jry n LYS 274 N -0.03 2.94 0.00 4.33 4.76 -1.26 -4.50 118.16 124.40 3jry n LYS 274 Ca 0.14 -2.27 0.11 0.00 -2.87 0.00 0.00 58.31 53.42 3jry n LYS 274 Cb 0.41 -1.67 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3jry n LYS 274 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3jry n LEU 275 N 1.01 2.03 0.32 -0.35 4.77 -1.26 -4.69 117.00 118.83 3jry n LEU 275 Ca 0.21 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 55.28 3jry n LEU 275 Cb 0.67 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.68 3jry n LEU 275 CO 0.18 0.38 0.52 0.11 -1.33 0.00 0.00 177.39 177.25 3jry h LYS 276 N 2.43 -0.88 -0.51 3.23 1.79 -1.90 -2.21 116.57 118.51 3jry h LYS 276 Ca 0.00 0.06 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 3jry h LYS 276 Cb 0.76 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.54 3jry h LYS 276 CO 0.00 -0.59 0.14 1.05 -1.08 0.00 0.00 179.45 178.97 3jry h GLU 277 N -0.92 0.28 -0.94 3.15 9.09 -1.96 -1.35 114.58 121.93 3jry h GLU 277 Ca -0.08 -0.02 0.13 0.00 0.05 0.00 0.00 59.36 59.45 3jry h GLU 277 Cb 0.74 -0.06 -0.08 0.00 -1.65 0.00 0.00 28.75 27.70 3jry h GLU 277 CO 0.07 0.18 0.60 0.00 0.05 0.00 0.00 179.01 179.91 3jry n GLU 280 N 0.27 2.11 -1.75 0.00 1.02 -0.98 -5.06 120.64 116.26 3jry n GLU 280 Ca 0.10 -0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 56.54 3jry n GLU 280 Cb 0.47 -0.88 0.08 0.00 -0.02 0.00 0.00 31.44 31.10 3jry n GLU 280 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3jry s LYS 281 N -0.65 2.12 0.82 3.49 1.02 -1.13 -5.06 119.74 120.35 3jry s LYS 281 Ca 0.02 0.38 -0.11 0.00 0.02 0.00 0.00 55.97 56.29 3jry s LYS 281 Cb 0.02 -1.94 0.09 0.00 -0.52 0.00 0.00 37.83 35.47 3jry s LYS 281 CO 0.06 -1.54 1.12 -2.14 -0.92 0.00 0.00 175.35 171.94 3jry s PRO 282 N -5.36 1.83 0.06 -1.68 0.02 -1.26 -4.62 135.00 124.00 3jry s PRO 282 Ca 0.61 1.34 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 3jry s PRO 282 Cb -0.12 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3jry s PRO 282 CO 0.52 -1.99 1.17 -0.11 -0.33 0.00 0.00 177.00 176.26 3jry n LEU 283 N -3.70 -0.41 -0.05 -5.54 7.94 -1.26 -1.16 117.00 112.82 3jry n LEU 283 Ca 0.10 1.26 -0.00 0.00 -1.11 0.00 0.00 56.01 56.26 3jry n LEU 283 Cb 0.52 -0.38 0.28 0.00 0.53 0.00 0.00 43.42 44.38 3jry n LEU 283 CO 0.51 -0.84 1.00 -0.07 -1.11 0.00 0.00 177.39 176.88 3jry h LEU 284 N 0.00 0.60 0.16 -1.96 3.38 -1.97 -2.71 115.31 112.81 3jry h LEU 284 Ca 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3jry h LEU 284 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3jry h LEU 284 CO -0.36 0.60 -0.08 -0.08 0.09 0.00 0.00 178.44 178.61 3jry h GLU 285 N 0.63 -0.21 -0.66 1.13 4.81 -1.72 -2.91 114.58 115.65 3jry h GLU 285 Ca 0.15 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.53 3jry h GLU 285 Cb 0.24 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.54 3jry h GLU 285 CO -0.00 0.08 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.05 3jry h LYS 286 N -0.50 0.05 -0.39 1.92 3.64 -0.81 0.18 116.57 120.66 3jry h LYS 286 Ca -0.02 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3jry h LYS 286 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3jry h LYS 286 CO 0.04 0.03 0.05 0.77 -2.27 0.00 0.00 179.45 178.07 3jry h SER 287 N 0.05 0.64 -0.48 4.20 0.02 -1.58 -0.39 113.55 116.01 3jry h SER 287 Ca 0.33 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3jry h SER 287 Cb 0.54 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3jry h SER 287 CO -0.63 0.75 0.26 -0.74 -1.14 0.00 0.00 176.83 175.33 3jry h HIS 288 N 0.50 0.49 0.29 3.45 -0.00 -1.04 -1.13 115.15 117.72 3jry h HIS 288 Ca 0.12 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3jry h HIS 288 Cb 0.39 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3jry h HIS 288 CO 0.03 0.26 -0.14 0.00 -0.00 0.00 0.00 177.93 178.08 3jry h ILE 290 N -0.41 1.03 0.00 0.00 2.04 -0.90 -1.31 117.51 117.96 3jry h ILE 290 Ca -0.04 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3jry h ILE 290 Cb 0.31 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3jry h ILE 290 CO 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 178.15 178.23 3jry h ALA 291 N 1.94 1.00 0.00 1.87 0.00 -1.05 -3.26 119.26 119.77 3jry h ALA 291 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jry h ALA 291 Cb -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jry h ALA 291 CO -0.01 0.02 -0.17 0.39 0.00 0.00 0.00 179.25 179.48 3jry n GLU 292 N -3.11 0.89 -2.16 0.00 -0.58 -0.54 -5.08 120.64 110.05 3jry n GLU 292 Ca 0.00 -2.12 -0.34 0.00 -0.42 0.00 0.00 57.16 54.29 3jry n GLU 292 Cb 0.30 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3jry n GLU 292 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3jry s VAL 293 N -2.00 3.55 0.66 2.62 0.11 -0.89 -4.99 120.40 119.46 3jry s VAL 293 Ca 0.23 0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 59.96 3jry s VAL 293 Cb 0.20 -3.32 -0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3jry s VAL 293 CO 0.02 -0.33 1.11 -1.83 -3.33 0.00 0.00 175.10 170.74 3jry s GLU 294 N -3.69 2.81 0.17 1.54 -1.05 -1.26 -4.95 118.70 112.26 3jry s GLU 294 Ca 0.67 1.39 -0.32 0.00 -0.15 0.00 0.00 54.97 56.56 3jry s GLU 294 Cb -0.19 -1.95 -0.12 0.00 -0.44 0.00 0.00 34.13 31.43 3jry s GLU 294 CO 0.31 -1.24 1.72 0.09 0.95 0.00 0.00 175.26 177.09 3jry n ASN 295 N -2.40 3.75 -4.70 0.83 3.02 -1.26 -4.91 115.26 109.60 3jry n ASN 295 Ca 0.10 1.05 -0.29 0.00 -0.03 0.00 0.00 54.58 55.41 3jry n ASN 295 Cb 0.52 -1.52 0.16 0.00 -0.61 0.00 0.00 39.78 38.33 3jry n ASN 295 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3jry s ASP 296 N 1.54 2.94 0.09 6.41 2.15 -0.87 -4.99 116.67 123.94 3jry s ASP 296 Ca 0.78 1.26 -0.30 0.00 0.43 0.00 0.00 52.55 54.72 3jry s ASP 296 Cb -0.55 -1.93 -0.06 0.00 -0.30 0.00 0.00 42.92 40.08 3jry s ASP 296 CO 0.35 -2.95 1.17 -1.61 -0.17 0.00 0.00 175.17 171.97 3jry s GLU 297 N -4.98 4.47 0.27 4.34 8.01 -1.26 -4.77 118.70 124.79 3jry s GLU 297 Ca 0.65 1.76 -0.29 0.00 0.01 0.00 0.00 54.97 57.09 3jry s GLU 297 Cb -0.18 -3.33 -0.10 0.00 -4.31 0.00 0.00 34.13 26.22 3jry s GLU 297 CO 0.57 -0.17 1.27 1.41 0.01 0.00 0.00 175.26 178.35 3jry s MET 298 N 0.66 4.43 0.45 1.61 -2.45 -1.26 -4.67 119.30 118.06 3jry s MET 298 Ca 0.56 2.08 -0.23 0.00 -1.25 0.00 0.00 55.69 56.85 3jry s MET 298 Cb -0.29 -3.14 -0.10 0.00 1.25 0.00 0.00 34.83 32.55 3jry s MET 298 CO 0.31 -0.13 0.90 -2.30 1.05 0.00 0.00 175.02 174.85 3jry n PRO 299 N 1.54 1.12 0.02 4.11 -0.02 -1.26 -4.93 135.00 135.58 3jry n PRO 299 Ca 0.02 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3jry n PRO 299 Cb 0.43 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3jry n PRO 299 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jry h ALA 300 N 1.21 -0.76 -2.38 3.55 0.00 -2.01 -3.37 119.26 115.49 3jry h ALA 300 Ca -0.44 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.80 3jry h ALA 300 Cb 1.35 0.30 -0.38 0.00 0.00 0.00 0.00 17.79 19.06 3jry h ALA 300 CO 0.55 -0.77 -0.26 -0.25 0.00 0.00 0.00 179.25 178.52 3jry n ASP 301 N -2.49 4.22 -4.71 0.00 8.00 -1.26 -5.05 116.55 115.25 3jry n ASP 301 Ca -0.01 -3.36 -0.42 0.00 0.71 0.00 0.00 54.79 51.71 3jry n ASP 301 Cb 0.03 -0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 3jry n ASP 301 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jry s LEU 302 N -2.22 4.36 0.98 0.64 1.43 -1.26 -5.03 118.68 117.59 3jry s LEU 302 Ca 0.34 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 3jry s LEU 302 Cb 0.07 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.89 3jry s LEU 302 CO -0.03 -0.40 1.08 -2.84 0.23 0.00 0.00 176.35 174.39 3jry s PRO 303 N 1.14 0.55 0.53 1.29 0.02 -1.26 -4.98 135.00 132.29 3jry s PRO 303 Ca 0.56 0.88 -0.20 0.00 0.02 0.00 0.00 61.00 62.26 3jry s PRO 303 Cb -0.26 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3jry s PRO 303 CO 0.28 -2.74 1.16 0.45 -0.33 0.00 0.00 177.00 175.81 3jry s SER 304 N -3.10 5.73 0.00 2.53 0.15 -1.26 -4.93 113.70 112.82 3jry s SER 304 Ca 0.65 2.26 0.22 0.00 0.70 0.00 0.00 55.95 59.79 3jry s SER 304 Cb -0.20 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.59 3jry s SER 304 CO 0.59 -1.22 1.73 0.18 1.20 0.00 0.00 173.24 175.72 3jry n LEU 305 N -1.14 0.79 -0.07 3.45 4.77 -1.26 -4.25 117.00 119.29 3jry n LEU 305 Ca 0.11 -0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 3jry n LEU 305 Cb 0.50 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3jry n LEU 305 CO 0.44 0.16 0.64 0.00 -1.33 0.00 0.00 177.39 177.29 3jry h ALA 306 N 3.91 0.28 -0.82 -1.18 0.00 -1.97 -2.86 119.26 116.62 3jry h ALA 306 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.68 3jry h ALA 306 Cb 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3jry h ALA 306 CO 0.00 0.15 0.48 0.00 0.00 0.00 0.00 179.25 179.88 3jry h ALA 307 N 0.67 1.16 0.12 0.00 0.00 -1.97 0.73 119.26 119.97 3jry h ALA 307 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 3jry h ALA 307 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3jry h ALA 307 CO 0.04 0.15 -1.47 -0.44 0.00 0.00 0.00 179.25 177.53 3jry h ASP 308 N 0.84 0.39 0.00 0.00 5.19 -1.86 -1.91 116.42 119.07 3jry h ASP 308 Ca 0.38 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3jry h ASP 308 Cb 0.29 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3jry h ASP 308 CO -0.22 1.42 -0.96 0.49 -3.12 0.00 0.00 179.24 176.85 3jry n PHE 309 N -3.46 0.00 0.00 4.55 3.72 -1.08 -4.70 117.46 116.49 3jry n PHE 309 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3jry n PHE 309 Cb 1.04 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 3jry n PHE 309 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3jry n VAL 310 N -1.54 0.00 0.05 -4.37 3.14 -0.48 -4.94 118.33 110.19 3jry n VAL 310 Ca 0.01 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.18 3jry n VAL 310 Cb 0.26 -0.05 -0.14 0.00 -1.06 0.00 0.00 33.84 32.84 3jry n VAL 310 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3jry h GLU 311 N 0.00 0.31 -6.95 1.45 5.08 -1.03 -3.44 114.58 110.00 3jry h GLU 311 Ca 0.00 -0.53 -0.48 0.00 -1.00 0.00 0.00 59.36 57.35 3jry h GLU 311 Cb 0.05 0.20 0.22 0.00 0.50 0.00 0.00 28.75 29.72 3jry h GLU 311 CO 0.00 1.21 -0.40 0.45 -1.00 0.00 0.00 179.01 179.27 3jry n SER 312 N -3.50 -1.64 -0.28 1.42 2.88 -0.72 -4.96 113.62 106.82 3jry n SER 312 Ca -0.25 0.04 0.06 0.00 -1.33 0.00 0.00 58.87 57.39 3jry n SER 312 Cb 1.06 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 3jry n SER 312 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3jry n LYS 313 N -3.36 1.84 0.00 -1.46 2.85 -1.26 -4.37 118.16 112.40 3jry n LYS 313 Ca 0.05 -0.71 0.13 0.00 -1.05 0.00 0.00 58.31 56.72 3jry n LYS 313 Cb 0.56 -1.14 0.28 0.00 -0.65 0.00 0.00 35.03 34.08 3jry n LYS 313 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3jry n ASP 314 N -0.12 1.73 -0.28 -5.58 9.92 -1.26 -4.65 116.55 116.31 3jry n ASP 314 Ca 0.05 -1.39 -0.02 0.00 -0.53 0.00 0.00 54.79 52.90 3jry n ASP 314 Cb 0.25 0.15 0.04 0.00 -0.64 0.00 0.00 41.12 40.92 3jry n ASP 314 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3jry h VAL 315 N 2.41 0.11 -0.76 2.53 2.07 -1.86 -0.57 116.25 120.17 3jry h VAL 315 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3jry h VAL 315 Cb 0.65 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3jry h VAL 315 CO 0.00 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.94 3jry h LYS 317 N 1.09 0.11 -0.68 0.00 3.64 -1.57 -1.83 116.57 117.33 3jry h LYS 317 Ca 0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3jry h LYS 317 Cb 0.13 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3jry h LYS 317 CO -0.03 0.50 0.45 -0.91 -2.27 0.00 0.00 179.45 177.18 3jry h ASN 318 N -0.28 0.75 0.27 4.20 -0.26 -1.09 -1.42 115.58 117.74 3jry h ASN 318 Ca 0.01 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3jry h ASN 318 Cb 0.46 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3jry h ASN 318 CO 0.01 0.53 -0.13 0.22 -1.06 0.00 0.00 177.43 177.00 3jry h TYR 319 N 0.88 -0.34 0.00 1.19 3.20 -1.41 -3.27 116.97 117.22 3jry h TYR 319 Ca 0.26 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3jry h TYR 319 Cb -0.03 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3jry h TYR 319 CO -0.00 -0.01 -0.15 0.00 -1.64 0.00 0.00 178.16 176.35 3jry h ALA 320 N -0.09 1.63 -0.88 1.82 0.00 -1.00 -1.36 119.26 119.38 3jry h ALA 320 Ca -0.04 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3jry h ALA 320 Cb 0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3jry h ALA 320 CO 0.06 0.19 0.57 0.93 0.00 0.00 0.00 179.25 181.00 3jry h GLU 321 N 0.00 0.84 -0.58 0.00 5.08 -1.32 -3.40 114.58 115.20 3jry h GLU 321 Ca -0.00 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3jry h GLU 321 Cb 0.29 -0.19 -0.18 0.00 0.50 0.00 0.00 28.75 29.17 3jry h GLU 321 CO 0.02 0.56 -0.25 0.00 -1.00 0.00 0.00 179.01 178.33 3jry s ALA 322 N -5.80 -3.46 0.17 3.43 0.00 -0.61 -5.07 121.76 110.42 3jry s ALA 322 Ca -0.11 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 3jry s ALA 322 Cb 0.21 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 20.54 3jry s ALA 322 CO 0.79 -2.31 1.76 0.87 0.00 0.00 0.00 175.76 176.87 3jry h LYS 323 N 6.36 0.83 0.00 0.00 1.57 -1.53 -2.17 116.57 121.64 3jry h LYS 323 Ca -0.01 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 3jry h LYS 323 Cb 1.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3jry h LYS 323 CO 0.01 0.67 -0.51 -0.44 -0.57 0.00 0.00 179.45 178.60 3jry h ASP 324 N 0.78 0.00 -0.40 0.86 3.32 -1.98 -0.65 116.42 118.35 3jry h ASP 324 Ca 0.20 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3jry h ASP 324 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3jry h ASP 324 CO -0.03 0.51 -0.18 0.58 -1.72 0.00 0.00 179.24 178.40 3jry h VAL 325 N 0.00 1.28 -0.30 -1.35 2.07 -1.86 -1.06 116.25 115.02 3jry h VAL 325 Ca -0.01 -1.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.03 3jry h VAL 325 Cb 1.07 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3jry h VAL 325 CO 0.07 0.44 -0.48 0.15 0.02 0.00 0.00 177.57 177.77 3jry h PHE 326 N 0.64 1.06 -0.04 1.57 3.57 -1.17 -1.39 116.94 121.19 3jry h PHE 326 Ca 0.09 -0.36 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 3jry h PHE 326 Cb 0.74 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3jry h PHE 326 CO 0.06 1.18 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.72 3jry h LEU 327 N 0.64 0.13 -0.28 0.59 3.38 -1.18 -2.32 115.31 116.27 3jry h LEU 327 Ca 0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3jry h LEU 327 Cb 1.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3jry h LEU 327 CO 0.11 0.63 -0.05 1.23 0.09 0.00 0.00 178.44 180.46 3jry h GLY 328 N 1.49 0.57 0.85 0.83 0.00 -1.04 -1.55 103.07 104.21 3jry h GLY 328 Ca -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.91 3jry h GLY 328 CO 0.07 0.41 0.49 -0.33 0.00 0.00 0.00 176.54 177.19 3jry h MET 329 N 0.29 0.93 -0.81 4.80 2.86 -1.23 -1.00 114.93 120.76 3jry h MET 329 Ca 0.07 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3jry h MET 329 Cb 0.51 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3jry h MET 329 CO 0.02 0.61 0.49 0.35 1.06 0.00 0.00 176.91 179.45 3jry h PHE 330 N 0.95 1.07 -0.25 -0.22 3.57 -1.22 -1.48 116.94 119.36 3jry h PHE 330 Ca 0.32 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 3jry h PHE 330 Cb 0.04 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.42 3jry h PHE 330 CO -0.03 0.71 -0.53 1.25 -2.23 0.00 0.00 178.31 177.48 3jry h LEU 331 N 1.11 0.80 -0.57 0.59 5.85 -1.00 -2.12 115.31 119.98 3jry h LEU 331 Ca 0.29 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3jry h LEU 331 Cb -0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3jry h LEU 331 CO -0.05 1.18 0.35 0.22 -0.34 0.00 0.00 178.44 179.79 3jry h TYR 332 N 0.56 0.74 -0.34 1.25 3.20 -0.99 -0.81 116.97 120.57 3jry h TYR 332 Ca 0.02 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 3jry h TYR 332 Cb 1.10 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3jry h TYR 332 CO 0.06 0.50 -0.32 0.93 -1.64 0.00 0.00 178.16 177.69 3jry h GLU 333 N 0.76 0.83 -0.11 1.82 4.39 -1.17 -2.54 114.58 118.56 3jry h GLU 333 Ca 0.20 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 3jry h GLU 333 Cb -0.03 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3jry h GLU 333 CO -0.04 1.07 -0.40 -0.92 -1.16 0.00 0.00 179.01 177.56 3jry h TYR 334 N 0.61 0.60 -0.61 4.33 3.20 -1.33 -3.24 116.97 120.54 3jry h TYR 334 Ca 0.06 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 3jry h TYR 334 Cb 0.90 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3jry h TYR 334 CO 0.07 1.00 0.22 0.00 -1.64 0.00 0.00 178.16 177.81 3jry h ALA 335 N 0.48 0.79 0.00 1.82 0.00 -1.21 -2.54 119.26 118.61 3jry h ALA 335 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jry h ALA 335 Cb 1.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3jry h ALA 335 CO 0.08 0.43 0.00 0.07 0.00 0.00 0.00 179.25 179.84 3jry h ARG 336 N 0.86 0.00 -0.01 0.00 0.11 -1.54 -1.20 114.38 112.60 3jry h ARG 336 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3jry h ARG 336 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3jry h ARG 336 CO -0.01 0.00 -0.27 0.54 0.10 0.00 0.00 179.97 180.32 3jry n ARG 337 N -2.96 1.04 -3.29 0.08 1.74 -1.05 -4.66 116.66 107.55 3jry n ARG 337 Ca 0.01 -0.68 -0.25 0.00 -0.77 0.00 0.00 57.85 56.15 3jry n ARG 337 Cb 0.28 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 3jry n ARG 337 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3jry n HIS 338 N -0.39 0.72 0.40 -1.55 8.25 -0.45 -4.86 115.22 117.34 3jry n HIS 338 Ca 0.12 -3.71 0.11 0.00 -0.26 0.00 0.00 57.72 53.98 3jry n HIS 338 Cb 0.38 -0.36 0.46 0.00 1.12 0.00 0.00 29.99 31.59 3jry n HIS 338 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3jry n PRO 339 N 1.41 0.16 0.00 -0.41 -0.02 -1.25 -2.67 135.00 132.22 3jry n PRO 339 Ca 0.24 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3jry n PRO 339 Cb 0.49 -1.81 0.64 0.00 -0.02 0.00 0.00 33.50 32.80 3jry n PRO 339 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3jry n ASP 340 N -2.12 0.85 -4.89 2.55 5.75 -1.26 -4.82 116.55 112.62 3jry n ASP 340 Ca 0.02 -1.12 -0.31 0.00 -0.01 0.00 0.00 54.79 53.37 3jry n ASP 340 Cb 0.21 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.25 3jry n ASP 340 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3jry s TYR 341 N -2.15 3.44 0.53 2.11 1.51 -1.09 -4.53 117.35 117.18 3jry s TYR 341 Ca 0.37 0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 3jry s TYR 341 Cb 0.21 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 40.27 3jry s TYR 341 CO 0.39 0.58 1.10 -1.54 -1.11 0.00 0.00 175.55 174.97 3jry s SER 342 N -2.47 5.86 0.35 2.29 1.04 -1.26 -4.32 113.70 115.20 3jry s SER 342 Ca 0.33 2.10 0.03 0.00 0.48 0.00 0.00 55.95 58.90 3jry s SER 342 Cb -0.13 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.07 3jry s SER 342 CO 0.26 -1.12 1.98 1.62 0.98 0.00 0.00 173.24 176.96 3jry h VAL 343 N 1.24 1.16 -0.79 5.02 3.04 -1.91 -2.54 116.25 121.47 3jry h VAL 343 Ca -0.50 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3jry h VAL 343 Cb 1.25 0.45 -0.04 0.00 -2.01 0.00 0.00 31.29 30.94 3jry h VAL 343 CO 0.57 0.18 0.49 -0.37 -1.01 0.00 0.00 177.57 177.43 3jry h VAL 344 N 0.73 1.21 -0.64 1.51 -1.51 -1.94 -2.17 116.25 113.45 3jry h VAL 344 Ca 0.19 -0.44 -0.04 0.00 -1.23 0.00 0.00 66.70 65.17 3jry h VAL 344 Cb 0.02 0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 29.24 3jry h VAL 344 CO -0.03 0.22 0.23 0.25 -1.23 0.00 0.00 177.57 177.01 3jry h LEU 345 N 1.08 0.91 -0.59 4.19 5.85 -1.82 -1.40 115.31 123.53 3jry h LEU 345 Ca 0.29 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3jry h LEU 345 Cb -0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3jry h LEU 345 CO -0.06 0.86 0.26 -0.07 -0.34 0.00 0.00 178.44 179.09 3jry h LEU 346 N 0.92 0.80 -1.13 2.25 3.38 -1.10 -1.56 115.31 118.87 3jry h LEU 346 Ca 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3jry h LEU 346 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3jry h LEU 346 CO -0.01 0.73 0.09 -0.07 0.09 0.00 0.00 178.44 179.27 3jry h LEU 347 N 0.81 0.66 -1.12 1.67 3.38 -1.32 -1.63 115.31 117.76 3jry h LEU 347 Ca 0.20 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3jry h LEU 347 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3jry h LEU 347 CO -0.02 0.67 0.08 0.03 0.09 0.00 0.00 178.44 179.28 3jry h ARG 348 N 0.68 0.70 -0.07 1.13 3.08 -0.76 -1.86 114.38 117.29 3jry h ARG 348 Ca 0.15 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3jry h ARG 348 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3jry h ARG 348 CO 0.00 0.66 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.41 3jry h LEU 349 N 0.67 0.19 -1.24 3.04 3.38 -0.83 -1.97 115.31 118.56 3jry h LEU 349 Ca 0.15 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.67 3jry h LEU 349 Cb 0.30 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3jry h LEU 349 CO 0.00 0.66 0.54 0.00 0.09 0.00 0.00 178.44 179.73 3jry h ALA 350 N 0.54 1.57 -0.07 1.53 0.00 -1.25 -0.72 119.26 120.85 3jry h ALA 350 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3jry h ALA 350 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3jry h ALA 350 CO 0.02 0.31 -0.62 0.87 0.00 0.00 0.00 179.25 179.82 3jry h LYS 351 N 0.93 0.26 -0.40 0.00 1.57 -1.31 -1.49 116.57 116.12 3jry h LYS 351 Ca 0.35 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3jry h LYS 351 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3jry h LYS 351 CO -0.12 0.80 -0.12 1.15 -0.57 0.00 0.00 179.45 180.59 3jry h THR 352 N 0.19 1.25 0.04 -0.16 2.02 -0.55 -1.90 112.91 113.79 3jry h THR 352 Ca -0.01 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 3jry h THR 352 Cb 1.14 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3jry h THR 352 CO 0.10 0.39 -0.02 0.22 0.37 0.00 0.00 175.52 176.58 3jry h TYR 353 N 0.65 -0.05 -0.47 3.16 3.20 -0.92 -2.42 116.97 120.12 3jry h TYR 353 Ca 0.11 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3jry h TYR 353 Cb 0.58 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 3jry h TYR 353 CO 0.03 0.36 -0.17 1.49 -1.64 0.00 0.00 178.16 178.23 3jry h GLU 354 N -0.47 -0.06 -0.90 1.82 4.81 -1.28 -1.52 114.58 116.99 3jry h GLU 354 Ca -0.01 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3jry h GLU 354 Cb 0.43 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 3jry h GLU 354 CO 0.01 -0.04 0.54 1.15 -0.73 0.00 0.00 179.01 179.95 3jry h THR 355 N -0.06 0.94 -0.12 0.32 2.02 -1.24 -1.32 112.91 113.46 3jry h THR 355 Ca 0.23 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 3jry h THR 355 Cb 0.41 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3jry h THR 355 CO -0.52 0.17 -0.53 0.74 0.37 0.00 0.00 175.52 175.75 3jry h THR 356 N 0.91 1.35 -0.12 3.16 2.02 -0.90 -2.55 112.91 116.77 3jry h THR 356 Ca 0.43 -1.80 -0.22 0.00 0.77 0.00 0.00 66.41 65.59 3jry h THR 356 Cb 0.37 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3jry h THR 356 CO -0.24 0.54 -0.81 -0.07 0.37 0.00 0.00 175.52 175.31 3jry h LEU 357 N 0.25 0.86 -0.32 2.58 3.38 -0.66 -0.35 115.31 121.05 3jry h LEU 357 Ca 0.01 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.42 3jry h LEU 357 Cb 1.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3jry h LEU 357 CO 0.09 1.38 0.14 -0.33 0.09 0.00 0.00 178.44 179.80 3jry h GLU 358 N 0.48 0.29 -0.10 1.13 4.39 -1.24 -1.08 114.58 118.44 3jry h GLU 358 Ca -0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3jry h GLU 358 Cb 1.44 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 3jry h GLU 358 CO 0.16 0.19 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.91 3jry h LYS 359 N 0.29 0.23 -0.10 2.33 3.64 -1.49 -3.36 116.57 118.11 3jry h LYS 359 Ca 0.14 -0.11 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 3jry h LYS 359 Cb 0.08 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3jry h LYS 359 CO -0.12 0.61 -0.80 0.00 -2.27 0.00 0.00 179.45 176.87 3jry n ALA 362 N -1.33 3.91 -1.76 0.00 0.00 -1.20 -4.96 120.51 115.15 3jry n ALA 362 Ca 0.06 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 3jry n ALA 362 Cb 0.13 -0.68 0.16 0.00 0.00 0.00 0.00 19.45 19.06 3jry n ALA 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jry s ALA 363 N -2.95 2.07 0.16 0.00 0.00 -0.52 -5.00 121.76 115.53 3jry s ALA 363 Ca 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 3jry s ALA 363 Cb 0.14 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.41 3jry s ALA 363 CO 0.78 -2.37 1.43 0.00 0.00 0.00 0.00 175.76 175.60 3jry h ALA 364 N -1.59 0.56 -2.79 0.00 0.00 -1.94 -3.37 119.26 110.13 3jry h ALA 364 Ca -0.46 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 53.27 3jry h ALA 364 Cb 1.28 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.61 3jry h ALA 364 CO 0.48 0.72 -0.79 0.34 0.00 0.00 0.00 179.25 180.00 3jry s ASP 365 N -6.99 3.18 0.20 0.00 3.68 -1.26 -5.01 116.67 110.48 3jry s ASP 365 Ca -0.07 -2.84 -0.11 0.00 2.13 0.00 0.00 52.55 51.66 3jry s ASP 365 Cb 0.10 -0.88 0.19 0.00 -1.45 0.00 0.00 42.92 40.88 3jry s ASP 365 CO 0.85 -0.22 1.82 -0.65 0.13 0.00 0.00 175.17 177.10 3jry h PRO 366 N 6.32 0.68 -0.48 4.34 0.11 -1.74 -2.11 132.00 139.13 3jry h PRO 366 Ca 0.09 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.25 3jry h PRO 366 Cb 0.90 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.78 3jry h PRO 366 CO 0.45 0.45 -0.04 1.25 -0.21 0.00 0.00 178.00 179.91 3jry h HIS 367 N 0.70 -0.10 -0.79 0.65 2.76 -1.94 0.26 115.15 116.69 3jry h HIS 367 Ca 0.27 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.43 3jry h HIS 367 Cb 0.10 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 3jry h HIS 367 CO -0.07 -0.14 0.32 1.49 -1.30 0.00 0.00 177.93 178.23 3jry h GLU 368 N 0.08 1.18 -0.33 5.26 4.57 -1.93 -2.00 114.58 121.41 3jry h GLU 368 Ca 0.24 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3jry h GLU 368 Cb 0.36 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3jry h GLU 368 CO -0.43 0.95 -0.01 0.00 -1.18 0.00 0.00 179.01 178.35 3jry n TYR 370 N -4.52 0.57 0.28 0.00 0.18 0.60 -4.53 117.16 109.73 3jry n TYR 370 Ca -0.02 -0.28 0.18 0.00 1.88 0.00 0.00 57.90 59.66 3jry n TYR 370 Cb 0.27 0.00 0.94 0.00 -0.38 0.00 0.00 39.34 40.18 3jry n TYR 370 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3jry h ALA 371 N 4.20 1.43 -0.00 -3.48 0.00 -1.34 -2.79 119.26 117.28 3jry h ALA 371 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jry h ALA 371 Cb 0.78 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3jry h ALA 371 CO 0.00 -0.23 -0.40 0.36 0.00 0.00 0.00 179.25 178.98 3jry n LYS 372 N -3.31 1.53 -0.11 0.00 2.85 -1.26 -4.81 118.16 113.06 3jry n LYS 372 Ca -0.01 -3.17 -0.06 0.00 -1.05 0.00 0.00 58.31 54.02 3jry n LYS 372 Cb 0.27 -1.60 0.02 0.00 -0.65 0.00 0.00 35.03 33.07 3jry n LYS 372 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3jry h VAL 373 N 0.81 0.91 -0.01 0.58 2.07 -1.83 -2.35 116.25 116.44 3jry h VAL 373 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3jry h VAL 373 Cb 1.00 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3jry h VAL 373 CO 0.00 0.05 0.02 -0.26 0.02 0.00 0.00 177.57 177.40 3jry h PHE 374 N 0.29 0.00 0.00 1.57 -1.00 -1.87 0.21 116.94 116.14 3jry h PHE 374 Ca 0.16 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.87 3jry h PHE 374 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 3jry h PHE 374 CO -0.14 0.00 -0.32 -0.44 -1.61 0.00 0.00 178.31 175.80 3jry h ASP 375 N 0.00 0.00 0.68 2.17 5.19 -1.80 -2.58 116.42 120.08 3jry h ASP 375 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3jry h ASP 375 Cb 0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3jry h ASP 375 CO -0.00 0.32 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.03 3jry h GLU 376 N 0.00 0.00 -0.05 3.56 5.08 -0.67 -3.18 114.58 119.31 3jry h GLU 376 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3jry h GLU 376 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3jry h GLU 376 CO 0.04 0.08 -0.66 0.74 -1.00 0.00 0.00 179.01 178.21 3jry h PHE 377 N 0.00 0.30 -0.12 4.33 0.04 -1.55 -3.36 116.94 116.58 3jry h PHE 377 Ca -0.00 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.67 3jry h PHE 377 Cb 0.44 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 3jry h PHE 377 CO 0.00 0.82 -0.06 0.87 -0.60 0.00 0.00 178.31 179.35 3jry h LYS 378 N 0.16 -0.04 -0.93 1.51 1.57 -1.68 0.85 116.57 118.01 3jry h LYS 378 Ca -0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3jry h LYS 378 Cb 1.19 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 3jry h LYS 378 CO 0.10 -0.03 0.60 -1.35 -0.57 0.00 0.00 179.45 178.20 3jry h PRO 379 N -0.04 0.89 -0.10 3.15 0.11 -1.79 -1.77 132.00 132.45 3jry h PRO 379 Ca 0.07 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.99 3jry h PRO 379 Cb 0.14 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3jry h PRO 379 CO -0.15 0.59 -0.54 -0.07 -0.21 0.00 0.00 178.00 177.62 3jry h LEU 380 N 0.92 0.32 -0.35 2.35 3.38 -1.15 -2.54 115.31 118.24 3jry h LEU 380 Ca 0.44 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 3jry h LEU 380 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jry h LEU 380 CO -0.20 0.79 -0.65 0.58 0.09 0.00 0.00 178.44 179.06 3jry h VAL 381 N 0.22 1.31 0.01 1.22 2.07 -0.70 -3.35 116.25 117.03 3jry h VAL 381 Ca 0.00 -1.90 -0.21 0.00 0.82 0.00 0.00 66.70 65.41 3jry h VAL 381 Cb 1.02 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3jry h VAL 381 CO 0.09 0.60 -0.91 -0.33 0.02 0.00 0.00 177.57 177.03 3jry h GLU 382 N 0.48 0.27 0.02 1.57 5.08 -1.17 -3.26 114.58 117.57 3jry h GLU 382 Ca -0.01 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 3jry h GLU 382 Cb 1.23 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 3jry h GLU 382 CO 0.13 1.02 -0.23 1.49 -1.00 0.00 0.00 179.01 180.42 3jry h GLU 383 N 0.15 -0.35 -0.38 2.33 4.22 -1.59 -1.39 114.58 117.57 3jry h GLU 383 Ca -0.06 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 3jry h GLU 383 Cb 1.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 3jry h GLU 383 CO 0.15 -0.24 -0.06 -1.35 -2.18 0.00 0.00 179.01 175.33 3jry h PRO 384 N -0.37 0.64 -0.10 0.92 0.11 -1.75 -2.32 132.00 129.14 3jry h PRO 384 Ca 0.05 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3jry h PRO 384 Cb 0.44 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3jry h PRO 384 CO -0.19 0.71 0.06 1.96 -0.21 0.00 0.00 178.00 180.32 3jry h GLN 385 N 0.60 0.13 -0.36 1.05 4.20 -1.51 -2.53 115.11 116.70 3jry h GLN 385 Ca 0.11 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3jry h GLN 385 Cb 0.47 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3jry h GLN 385 CO 0.02 0.14 0.18 -0.91 -0.67 0.00 0.00 178.83 177.60 3jry h ASN 386 N 0.09 0.46 -0.46 1.46 -0.26 -1.19 -1.80 115.58 113.88 3jry h ASN 386 Ca 0.03 -0.11 0.08 0.00 -0.56 0.00 0.00 56.30 55.75 3jry h ASN 386 Cb 0.05 -0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.12 3jry h ASN 386 CO -0.01 0.44 0.03 0.25 -1.06 0.00 0.00 177.43 177.08 3jry h LEU 387 N 0.45 -0.13 -0.14 1.61 5.85 -1.35 -1.60 115.31 120.00 3jry h LEU 387 Ca 0.12 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 3jry h LEU 387 Cb 0.09 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3jry h LEU 387 CO -0.02 -0.03 -0.42 0.40 -0.34 0.00 0.00 178.44 178.03 3jry h ILE 388 N 0.15 1.36 -0.60 4.05 2.04 -1.33 -0.18 117.51 122.99 3jry h ILE 388 Ca 0.23 -1.71 0.09 0.00 1.00 0.00 0.00 64.86 64.48 3jry h ILE 388 Cb 0.33 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 3jry h ILE 388 CO -0.35 0.51 0.22 0.50 0.00 0.00 0.00 178.15 179.03 3jry h LYS 389 N 0.14 0.39 -0.09 2.37 3.64 -1.17 -0.18 116.57 121.67 3jry h LYS 389 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3jry h LYS 389 Cb 1.04 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3jry h LYS 389 CO 0.09 0.26 -0.10 0.37 -2.27 0.00 0.00 179.45 177.80 3jry h GLN 390 N 0.40 0.23 -0.46 1.90 4.15 -1.20 -2.61 115.11 117.52 3jry h GLN 390 Ca 0.30 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3jry h GLN 390 Cb 0.38 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3jry h GLN 390 CO -0.31 0.66 0.21 -0.91 -1.93 0.00 0.00 178.83 176.55 3jry h ASN 391 N -0.19 0.58 -0.04 -0.69 2.35 -0.77 -1.59 115.58 115.23 3jry h ASN 391 Ca 0.01 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 3jry h ASN 391 Cb 0.62 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3jry h ASN 391 CO 0.02 0.51 -0.49 0.00 -1.65 0.00 0.00 177.43 175.82 3jry h GLU 393 N 0.47 -0.50 -0.36 0.00 5.08 -1.03 -0.38 114.58 117.87 3jry h GLU 393 Ca 0.02 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3jry h GLU 393 Cb 1.02 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3jry h GLU 393 CO 0.10 -0.33 0.03 1.25 -1.00 0.00 0.00 179.01 179.06 3jry h LEU 394 N -0.51 -0.07 -0.69 1.33 5.85 -1.23 -2.49 115.31 117.49 3jry h LEU 394 Ca 0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3jry h LEU 394 Cb 0.50 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 3jry h LEU 394 CO -0.10 -0.00 0.36 0.15 -0.34 0.00 0.00 178.44 178.51 3jry h PHE 395 N 0.14 0.66 0.00 1.25 3.57 -0.62 -1.08 116.94 120.87 3jry h PHE 395 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3jry h PHE 395 Cb 0.22 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3jry h PHE 395 CO -0.22 0.28 -0.14 0.93 -2.23 0.00 0.00 178.31 176.93 3jry h GLU 396 N 0.65 0.00 0.00 1.11 5.08 -0.64 0.81 114.58 121.59 3jry h GLU 396 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3jry h GLU 396 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3jry h GLU 396 CO -0.22 0.14 -1.48 0.00 -1.00 0.00 0.00 179.01 176.45 3jry n GLN 397 N -3.48 0.58 -0.07 2.33 10.64 -0.90 -4.48 117.38 122.00 3jry n GLN 397 Ca -0.01 -0.05 -0.14 0.00 -1.83 0.00 0.00 57.00 54.97 3jry n GLN 397 Cb 0.30 -1.65 -0.14 0.00 -0.86 0.00 0.00 30.24 27.89 3jry n GLN 397 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3jry n LEU 398 N -2.38 1.50 -0.17 2.61 4.32 -0.46 -5.11 117.00 117.32 3jry n LEU 398 Ca -0.02 0.10 0.02 0.00 -0.02 0.00 0.00 56.01 56.09 3jry n LEU 398 Cb 0.54 -0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 3jry n LEU 398 CO 0.43 0.66 -0.07 0.61 -1.22 0.00 0.00 177.39 177.80 3jry n GLY 399 N 1.89 -2.46 0.18 -0.72 0.00 0.25 -4.33 105.19 100.00 3jry n GLY 399 Ca -0.33 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 3jry n GLY 399 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jry h GLU 400 N -0.16 -0.29 -0.28 1.61 4.81 -1.95 -1.86 114.58 116.45 3jry h GLU 400 Ca -0.02 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3jry h GLU 400 Cb 0.16 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3jry h GLU 400 CO 0.01 -0.20 0.04 -0.92 -0.73 0.00 0.00 179.01 177.21 3jry h TYR 401 N -0.30 0.07 0.00 0.92 3.20 -1.97 -1.25 116.97 117.63 3jry h TYR 401 Ca 0.01 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3jry h TYR 401 Cb 0.30 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3jry h TYR 401 CO -0.13 0.01 -0.49 0.87 -1.64 0.00 0.00 178.16 176.77 3jry h LYS 402 N 0.14 0.00 -0.06 1.82 1.57 -1.73 -2.35 116.57 115.96 3jry h LYS 402 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3jry h LYS 402 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3jry h LYS 402 CO -0.18 0.49 0.03 0.35 -0.57 0.00 0.00 179.45 179.57 3jry h PHE 403 N 0.00 0.09 -0.91 -1.35 3.57 -0.92 -1.91 116.94 115.52 3jry h PHE 403 Ca -0.00 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.68 3jry h PHE 403 Cb 1.04 -0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.64 3jry h PHE 403 CO 0.00 0.20 0.47 1.96 -2.23 0.00 0.00 178.31 178.71 3jry h GLN 404 N -0.04 0.56 -0.57 1.11 4.20 -1.12 -1.29 115.11 117.97 3jry h GLN 404 Ca 0.02 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3jry h GLN 404 Cb 0.14 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3jry h GLN 404 CO -0.00 0.37 -0.02 -0.91 -0.67 0.00 0.00 178.83 177.60 3jry h ASN 405 N 0.57 1.00 -0.92 1.46 2.35 -1.13 -1.11 115.58 117.80 3jry h ASN 405 Ca 0.53 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3jry h ASN 405 Cb 0.88 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 3jry h ASN 405 CO -0.43 1.07 0.53 0.00 -1.65 0.00 0.00 177.43 176.95 3jry h ALA 406 N 0.96 1.21 -0.18 -0.83 0.00 -0.47 -1.69 119.26 118.27 3jry h ALA 406 Ca 0.16 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 3jry h ALA 406 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 406 CO 0.03 0.66 -0.65 -0.07 0.00 0.00 0.00 179.25 179.22 3jry h LEU 407 N 1.27 0.76 -0.67 0.00 3.38 -1.13 -2.58 115.31 116.35 3jry h LEU 407 Ca 0.33 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3jry h LEU 407 Cb -0.02 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3jry h LEU 407 CO -0.06 1.21 0.40 0.25 0.09 0.00 0.00 178.44 180.34 3jry h LEU 408 N 0.49 0.63 -0.24 1.67 5.85 -0.86 -0.49 115.31 122.36 3jry h LEU 408 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3jry h LEU 408 Cb 1.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3jry h LEU 408 CO 0.13 0.42 0.08 0.58 -0.34 0.00 0.00 178.44 179.31 3jry h VAL 409 N 0.76 1.19 0.02 1.05 2.07 -1.25 -2.16 116.25 117.93 3jry h VAL 409 Ca 0.28 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3jry h VAL 409 Cb 0.10 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3jry h VAL 409 CO -0.14 0.19 -0.27 0.03 0.02 0.00 0.00 177.57 177.40 3jry h ARG 410 N 0.22 -0.41 -0.18 1.57 3.08 -1.03 -2.16 114.38 115.47 3jry h ARG 410 Ca 0.08 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 3jry h ARG 410 Cb 0.23 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3jry h ARG 410 CO -0.00 -0.27 -0.41 1.88 -1.07 0.00 0.00 179.97 180.09 3jry h TYR 411 N -0.43 0.50 -0.25 3.04 0.05 -1.12 -1.60 116.97 117.16 3jry h TYR 411 Ca 0.06 -0.14 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 3jry h TYR 411 Cb 0.51 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3jry h TYR 411 CO -0.30 0.77 -0.22 1.15 -1.05 0.00 0.00 178.16 178.52 3jry h THR 412 N 0.35 1.25 -0.26 -2.88 2.02 -1.28 -0.84 112.91 111.27 3jry h THR 412 Ca 0.03 -1.19 -0.15 0.00 0.77 0.00 0.00 66.41 65.88 3jry h THR 412 Cb 0.88 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3jry h THR 412 CO 0.07 0.38 -0.44 0.11 0.37 0.00 0.00 175.52 176.01 3jry h LYS 413 N 0.42 0.65 0.27 6.66 1.57 -1.15 -2.79 116.57 122.22 3jry h LYS 413 Ca 0.07 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3jry h LYS 413 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3jry h LYS 413 CO 0.04 0.97 -0.13 0.87 -0.57 0.00 0.00 179.45 180.63 3jry h LYS 414 N 0.53 -0.35 -2.10 3.15 1.57 -0.62 -2.55 116.57 116.18 3jry h LYS 414 Ca 0.04 0.02 -0.58 0.00 -1.87 0.00 0.00 60.65 58.26 3jry h LYS 414 Cb 0.98 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 32.96 3jry h LYS 414 CO 0.09 -0.03 -0.84 1.33 -0.57 0.00 0.00 179.45 179.43 3jry n VAL 415 N -5.11 0.96 0.21 0.50 0.24 -0.38 -3.94 118.33 110.80 3jry n VAL 415 Ca -0.09 -4.68 0.05 0.00 -2.04 0.00 0.00 64.34 57.58 3jry n VAL 415 Cb 0.25 -1.97 0.23 0.00 -1.47 0.00 0.00 33.84 30.89 3jry n VAL 415 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3jry n PRO 416 N 1.05 0.04 0.19 7.34 -0.02 -1.05 -2.41 135.00 140.13 3jry n PRO 416 Ca 0.26 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 3jry n PRO 416 Cb 0.47 -1.61 0.12 0.00 -0.02 0.00 0.00 33.50 32.46 3jry n PRO 416 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3jry h GLN 417 N 0.00 0.00 -6.97 -0.52 7.50 -1.92 -3.46 115.11 109.74 3jry h GLN 417 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 3jry h GLN 417 Cb 0.11 0.00 0.11 0.00 0.05 0.00 0.00 27.48 27.75 3jry h GLN 417 CO 0.00 0.01 0.70 0.08 -1.50 0.00 0.00 178.83 178.12 3jry s VAL 418 N -3.25 2.19 0.72 -0.54 1.01 -1.01 -4.89 120.40 114.63 3jry s VAL 418 Ca 0.05 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 3jry s VAL 418 Cb 0.06 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3jry s VAL 418 CO 0.71 0.03 1.22 -0.94 0.00 0.00 0.00 175.10 176.12 3jry s SER 419 N -0.47 4.23 0.07 3.32 1.04 -1.26 -4.81 113.70 115.82 3jry s SER 419 Ca 0.58 2.41 -0.21 0.00 0.48 0.00 0.00 55.95 59.21 3jry s SER 419 Cb -0.43 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 62.98 3jry s SER 419 CO 0.56 -2.24 1.58 0.74 0.98 0.00 0.00 173.24 174.86 3jry h THR 420 N -0.17 1.18 -0.74 2.02 2.02 -1.96 -0.95 112.91 114.32 3jry h THR 420 Ca -0.48 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.16 3jry h THR 420 Cb 1.30 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 3jry h THR 420 CO 0.50 0.17 0.47 -0.65 0.37 0.00 0.00 175.52 176.38 3jry h PRO 421 N 0.06 0.89 -0.67 6.66 0.11 -1.99 -0.87 132.00 136.18 3jry h PRO 421 Ca 0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3jry h PRO 421 Cb 0.23 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3jry h PRO 421 CO -0.00 0.59 0.38 1.15 -0.21 0.00 0.00 178.00 179.91 3jry h THR 422 N 0.92 1.20 -0.49 -1.15 2.02 -1.90 -2.47 112.91 111.05 3jry h THR 422 Ca 0.30 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3jry h THR 422 Cb 0.01 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3jry h THR 422 CO -0.11 0.22 -0.03 -0.07 0.37 0.00 0.00 175.52 175.90 3jry h LEU 423 N 0.91 0.80 -0.16 2.58 3.38 -0.43 -2.20 115.31 120.20 3jry h LEU 423 Ca 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3jry h LEU 423 Cb 0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3jry h LEU 423 CO -0.04 0.89 -0.09 0.58 0.09 0.00 0.00 178.44 179.86 3jry h VAL 424 N 0.76 1.32 -0.16 1.22 2.07 -1.01 -1.76 116.25 118.70 3jry h VAL 424 Ca 0.14 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3jry h VAL 424 Cb 0.50 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3jry h VAL 424 CO 0.03 0.35 0.08 -0.08 0.02 0.00 0.00 177.57 177.96 3jry h GLU 425 N 0.00 0.22 -0.28 1.57 4.22 -1.40 -1.40 114.58 117.52 3jry h GLU 425 Ca 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3jry h GLU 425 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3jry h GLU 425 CO 0.03 0.24 0.10 0.28 -2.18 0.00 0.00 179.01 177.47 3jry h VAL 426 N 0.14 1.19 -0.64 0.32 2.07 -1.45 -1.88 116.25 116.00 3jry h VAL 426 Ca 0.05 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3jry h VAL 426 Cb 0.08 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3jry h VAL 426 CO -0.01 0.20 0.37 0.28 0.02 0.00 0.00 177.57 178.44 3jry h SER 427 N 0.30 0.78 -0.54 0.57 0.02 -1.25 -0.69 113.55 112.73 3jry h SER 427 Ca 0.09 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3jry h SER 427 Cb 0.22 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3jry h SER 427 CO -0.00 0.62 0.30 0.03 -1.14 0.00 0.00 176.83 176.64 3jry h ARG 428 N 0.87 0.58 -0.33 3.45 3.08 -1.19 -2.01 114.38 118.82 3jry h ARG 428 Ca 0.23 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 3jry h ARG 428 Cb -0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3jry h ARG 428 CO -0.04 0.38 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.21 3jry h ASN 429 N 0.59 0.55 -0.45 7.04 2.35 -0.80 -2.67 115.58 122.19 3jry h ASN 429 Ca 0.23 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 3jry h ASN 429 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3jry h ASN 429 CO -0.13 0.70 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.22 3jry h LEU 430 N 0.52 0.89 -1.54 1.61 3.38 -0.96 -3.09 115.31 116.12 3jry h LEU 430 Ca 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3jry h LEU 430 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3jry h LEU 430 CO 0.03 0.98 -0.21 1.23 0.09 0.00 0.00 178.44 180.57 3jry h GLY 431 N 0.98 0.00 1.66 0.83 0.00 -1.04 -2.25 103.07 103.25 3jry h GLY 431 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jry h GLY 431 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 3jry n LYS 432 N -3.66 0.07 0.17 4.80 5.02 -1.07 -2.61 118.16 120.88 3jry n LYS 432 Ca -0.01 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.56 3jry n LYS 432 Cb 0.33 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.19 3jry n LYS 432 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3jry h VAL 433 N 0.00 1.25 0.10 -0.18 3.04 -1.56 -2.13 116.25 116.77 3jry h VAL 433 Ca 0.00 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.48 3jry h VAL 433 Cb 0.07 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3jry h VAL 433 CO 0.00 0.35 -0.05 1.23 -1.01 0.00 0.00 177.57 178.09 3jry h GLY 434 N 1.05 -0.14 1.27 3.17 0.00 -1.73 -0.55 103.07 106.13 3jry h GLY 434 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3jry h GLY 434 CO 0.05 -0.05 0.09 0.23 0.00 0.00 0.00 176.54 176.86 3jry h SER 435 N -0.28 0.86 0.65 0.19 0.87 -1.72 -1.88 113.55 112.24 3jry h SER 435 Ca -0.01 -0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.17 3jry h SER 435 Cb 0.23 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3jry h SER 435 CO 0.02 0.86 -0.87 0.11 -0.53 0.00 0.00 176.83 176.42 3jry h LYS 436 N 0.86 0.14 0.00 2.24 1.57 -1.20 -3.42 116.57 116.76 3jry h LYS 436 Ca 0.18 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3jry h LYS 436 Cb 0.38 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3jry h LYS 436 CO 0.01 0.93 -0.95 0.00 -0.57 0.00 0.00 179.45 178.86 3jry h LYS 439 N 0.00 0.01 -7.23 0.00 2.10 -1.83 -3.45 116.57 106.17 3jry h LYS 439 Ca -0.00 -0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 3jry h LYS 439 Cb 0.37 -0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.81 3jry h LYS 439 CO 0.00 0.33 0.36 -1.01 -2.00 0.00 0.00 179.45 177.14 3jry s HIS 440 N -4.30 2.68 1.07 0.07 3.76 -0.77 -5.03 115.29 112.77 3jry s HIS 440 Ca -0.03 1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 56.30 3jry s HIS 440 Cb 0.15 -3.11 0.23 0.00 1.11 0.00 0.00 32.58 30.95 3jry s HIS 440 CO 0.72 -1.62 1.07 -2.30 -0.85 0.00 0.00 174.74 171.76 3jry n PRO 441 N -2.62 -1.61 -0.18 8.40 -0.02 -1.26 -4.77 135.00 132.94 3jry n PRO 441 Ca 0.10 -0.42 -0.00 0.00 -2.02 0.00 0.00 63.50 61.15 3jry n PRO 441 Cb 0.52 -2.26 0.23 0.00 -0.02 0.00 0.00 33.50 31.98 3jry n PRO 441 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3jry h GLU 442 N -2.36 0.93 -0.18 -0.52 5.08 -1.96 -2.14 114.58 113.42 3jry h GLU 442 Ca -0.54 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3jry h GLU 442 Cb 1.31 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3jry h GLU 442 CO 0.46 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 179.14 3jry n ALA 443 N -2.44 2.32 -0.34 3.43 0.00 -1.26 -2.64 120.51 119.58 3jry n ALA 443 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3jry n ALA 443 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3jry n ALA 443 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3jry n LYS 444 N -0.37 0.74 0.08 0.00 4.81 -0.84 -4.42 118.16 118.16 3jry n LYS 444 Ca 0.00 -0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.29 3jry n LYS 444 Cb 0.05 -0.31 -0.06 0.00 0.02 0.00 0.00 35.03 34.72 3jry n LYS 444 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3jry h ARG 445 N 0.00 0.21 0.02 1.64 3.08 -1.24 -3.33 114.38 114.75 3jry h ARG 445 Ca 0.00 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 3jry h ARG 445 Cb 0.17 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3jry h ARG 445 CO 0.00 1.04 -0.29 1.98 -1.07 0.00 0.00 179.97 181.63 3jry h MET 446 N 0.09 0.16 -0.20 0.04 4.05 -1.80 -0.87 114.93 116.40 3jry h MET 446 Ca -0.07 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.20 3jry h MET 446 Cb 1.67 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 32.48 3jry h MET 446 CO 0.15 0.98 -0.10 -1.35 0.23 0.00 0.00 176.91 176.82 3jry h PRO 447 N -0.57 -0.08 -0.05 0.39 0.11 -1.76 0.21 132.00 130.24 3jry h PRO 447 Ca -0.04 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.11 3jry h PRO 447 Cb 1.10 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3jry h PRO 447 CO 0.06 -0.06 -0.17 0.00 -0.21 0.00 0.00 178.00 177.62 3jry h ALA 449 N 0.71 -0.11 -0.19 0.00 0.00 -0.99 -3.10 119.26 115.57 3jry h ALA 449 Ca 0.07 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3jry h ALA 449 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jry h ALA 449 CO -0.20 -0.23 -0.64 1.49 0.00 0.00 0.00 179.25 179.66 3jry h GLU 450 N -0.77 0.68 -0.11 0.00 4.81 -0.65 -2.10 114.58 116.43 3jry h GLU 450 Ca -0.01 -0.48 -0.15 0.00 -0.13 0.00 0.00 59.36 58.59 3jry h GLU 450 Cb 0.59 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3jry h GLU 450 CO 0.02 1.10 -0.57 -0.44 -0.73 0.00 0.00 179.01 178.39 3jry h ASP 451 N 0.50 0.40 -0.18 1.04 3.32 -1.61 -2.46 116.42 117.42 3jry h ASP 451 Ca -0.01 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3jry h ASP 451 Cb 1.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3jry h ASP 451 CO 0.13 0.88 0.10 0.22 -1.72 0.00 0.00 179.24 178.85 3jry h TYR 452 N 0.27 0.24 -0.95 4.55 3.20 -1.48 -2.45 116.97 120.36 3jry h TYR 452 Ca 0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 3jry h TYR 452 Cb 1.08 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.19 3jry h TYR 452 CO 0.03 0.21 0.60 -0.07 -1.64 0.00 0.00 178.16 177.29 3jry h LEU 453 N 0.20 0.83 -1.01 2.82 3.38 -1.34 -1.01 115.31 119.18 3jry h LEU 453 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3jry h LEU 453 Cb 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3jry h LEU 453 CO -0.01 0.45 0.50 0.28 0.09 0.00 0.00 178.44 179.75 3jry h SER 454 N 0.89 1.06 -0.28 -0.43 0.02 -1.19 -1.22 113.55 112.40 3jry h SER 454 Ca 0.46 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3jry h SER 454 Cb 0.52 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3jry h SER 454 CO -0.23 0.83 0.08 0.58 -1.14 0.00 0.00 176.83 176.95 3jry h VAL 455 N 1.20 1.20 -0.12 2.27 2.07 -0.74 -2.38 116.25 119.75 3jry h VAL 455 Ca 0.31 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3jry h VAL 455 Cb -0.01 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3jry h VAL 455 CO -0.05 0.22 -0.28 0.58 0.02 0.00 0.00 177.57 178.06 3jry h VAL 456 N 0.29 1.25 -0.00 2.57 2.07 -1.15 -2.78 116.25 118.49 3jry h VAL 456 Ca 0.09 -1.17 -0.18 0.00 0.82 0.00 0.00 66.70 66.26 3jry h VAL 456 Cb 0.25 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3jry h VAL 456 CO -0.00 0.35 -0.83 -0.07 0.02 0.00 0.00 177.57 177.04 3jry h LEU 457 N 0.21 0.20 -0.89 2.57 3.38 -1.15 -2.64 115.31 116.98 3jry h LEU 457 Ca 0.03 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3jry h LEU 457 Cb 0.60 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3jry h LEU 457 CO 0.04 0.94 0.58 -1.13 0.09 0.00 0.00 178.44 178.96 3jry h ASN 458 N 0.09 0.95 -0.36 -0.43 -1.24 -1.21 -0.49 115.58 112.89 3jry h ASN 458 Ca -0.03 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.04 3jry h ASN 458 Cb 1.44 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 40.22 3jry h ASN 458 CO 0.12 0.65 -0.02 1.56 -1.29 0.00 0.00 177.43 178.45 3jry h GLN 459 N 1.11 0.07 -0.72 6.67 4.20 -1.21 0.73 115.11 125.96 3jry h GLN 459 Ca 0.36 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.13 3jry h GLN 459 Cb 0.03 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3jry h GLN 459 CO -0.13 0.05 0.41 1.25 -0.67 0.00 0.00 178.83 179.74 3jry h LEU 460 N 0.08 0.60 -0.35 1.46 5.85 -1.09 -0.91 115.31 120.95 3jry h LEU 460 Ca 0.18 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3jry h LEU 460 Cb 0.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3jry h LEU 460 CO -0.31 0.38 0.04 0.00 -0.34 0.00 0.00 178.44 178.21 3jry h VAL 462 N 0.41 1.28 -0.43 0.00 -1.51 -0.60 -0.87 116.25 114.54 3jry h VAL 462 Ca 0.10 -1.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.07 3jry h VAL 462 Cb 0.38 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 3jry h VAL 462 CO 0.01 0.49 0.24 -0.07 -1.23 0.00 0.00 177.57 177.01 3jry h LEU 463 N 0.60 0.54 -0.71 4.19 4.07 -1.18 -3.21 115.31 119.62 3jry h LEU 463 Ca 0.06 -0.09 -0.14 0.00 0.08 0.00 0.00 57.88 57.80 3jry h LEU 463 Cb 0.87 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3jry h LEU 463 CO 0.08 0.47 -0.61 -0.74 -1.08 0.00 0.00 178.44 176.55 3jry h HIS 464 N 0.57 0.17 -0.50 1.13 2.76 -1.08 -2.93 115.15 115.27 3jry h HIS 464 Ca 0.15 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3jry h HIS 464 Cb 0.05 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3jry h HIS 464 CO -0.02 0.71 0.33 1.49 -1.30 0.00 0.00 177.93 179.13 3jry h GLU 465 N 0.09 0.59 -0.17 5.26 4.81 -1.16 -2.39 114.58 121.62 3jry h GLU 465 Ca -0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3jry h GLU 465 Cb 1.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3jry h GLU 465 CO 0.09 0.39 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.39 3jry h LYS 466 N 0.61 0.27 -1.88 1.92 3.64 -1.54 -3.37 116.57 116.22 3jry h LYS 466 Ca 0.19 -0.07 -0.38 0.00 -1.27 0.00 0.00 60.65 59.13 3jry h LYS 466 Cb 0.03 -0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 31.51 3jry h LYS 466 CO -0.05 0.42 -0.71 0.95 -2.27 0.00 0.00 179.45 177.79 3jry s THR 467 N -4.69 -0.30 0.56 1.00 -4.23 -0.93 -5.14 115.64 101.90 3jry s THR 467 Ca -0.06 -1.30 -0.20 0.00 -1.18 0.00 0.00 61.69 58.95 3jry s THR 467 Cb 0.15 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 3jry s THR 467 CO 0.74 -0.62 1.22 -2.84 -0.54 0.00 0.00 174.62 172.58 3jry s PRO 468 N 1.08 3.12 0.00 3.99 0.02 -1.00 -4.85 135.00 137.36 3jry s PRO 468 Ca 0.22 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3jry s PRO 468 Cb -0.09 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3jry s PRO 468 CO -0.06 -1.10 0.00 0.28 -0.33 0.00 0.00 177.00 175.79 3jry n VAL 469 N -1.33 0.00 -3.94 3.83 0.31 -1.26 -5.09 118.33 110.85 3jry n VAL 469 Ca 0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.17 3jry n VAL 469 Cb 0.49 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.25 3jry n VAL 469 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3jry s SER 470 N -0.17 2.70 0.54 4.52 0.15 -1.26 -4.93 113.70 115.24 3jry s SER 470 Ca 0.00 -0.55 0.32 0.00 0.70 0.00 0.00 55.95 56.42 3jry s SER 470 Cb 0.00 -1.01 1.26 0.00 -1.71 0.00 0.00 66.02 64.56 3jry s SER 470 CO 0.00 -0.13 1.94 0.44 1.20 0.00 0.00 173.24 176.70 3jry h ASP 471 N 8.10 0.00 0.33 5.45 3.32 -1.99 -2.34 116.42 129.29 3jry h ASP 471 Ca -0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.59 3jry h ASP 471 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3jry h ASP 471 CO 0.45 0.00 -0.65 0.03 -1.72 0.00 0.00 179.24 177.35 3jry h ARG 472 N 0.00 0.30 -0.09 3.56 3.08 -1.98 -2.26 114.38 116.99 3jry h ARG 472 Ca -0.00 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 3jry h ARG 472 Cb 0.57 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3jry h ARG 472 CO 0.00 0.85 -0.25 0.28 -1.07 0.00 0.00 179.97 179.77 3jry h VAL 473 N 0.21 1.40 -0.40 2.04 2.07 -1.87 -2.71 116.25 117.00 3jry h VAL 473 Ca -0.01 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.00 3jry h VAL 473 Cb 1.19 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 3jry h VAL 473 CO 0.11 0.46 -0.18 0.74 0.02 0.00 0.00 177.57 178.71 3jry h THR 474 N -0.13 0.45 0.48 2.57 2.02 -1.48 0.30 112.91 117.12 3jry h THR 474 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3jry h THR 474 Cb 0.87 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3jry h THR 474 CO 0.05 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 176.15 3jry h LYS 475 N -0.11 -0.71 -0.18 6.66 3.64 -1.43 -1.71 116.57 122.73 3jry h LYS 475 Ca 0.19 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3jry h LYS 475 Cb 0.41 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3jry h LYS 475 CO -0.47 -0.47 0.05 0.00 -2.27 0.00 0.00 179.45 176.29 3jry n THR 478 N -3.77 0.00 -0.10 0.00 -2.24 -0.66 -4.66 114.28 102.86 3jry n THR 478 Ca -0.02 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 3jry n THR 478 Cb 0.67 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 3jry n THR 478 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jry h GLU 479 N 0.00 0.43 -2.23 -0.78 4.81 -1.30 -3.44 114.58 112.07 3jry h GLU 479 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3jry h GLU 479 Cb 0.49 -0.09 -0.23 0.00 0.63 0.00 0.00 28.75 29.55 3jry h GLU 479 CO 0.00 0.31 -0.16 0.45 -0.73 0.00 0.00 179.01 178.88 3jry s SER 480 N -5.53 -0.78 0.12 1.04 0.15 -1.26 -5.06 113.70 102.38 3jry s SER 480 Ca -0.13 1.31 -0.18 0.00 0.70 0.00 0.00 55.95 57.64 3jry s SER 480 Cb 0.10 1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 65.90 3jry s SER 480 CO 0.71 -0.22 1.74 0.25 1.20 0.00 0.00 173.24 176.92 3jry h LEU 481 N 7.56 0.33 -0.70 3.45 5.85 -1.85 -2.97 115.31 126.97 3jry h LEU 481 Ca -0.25 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 3jry h LEU 481 Cb 1.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3jry h LEU 481 CO 0.16 0.29 -0.48 0.58 -0.34 0.00 0.00 178.44 178.65 3jry h VAL 482 N 0.34 1.03 -0.49 1.05 2.07 -1.97 -3.10 116.25 115.18 3jry h VAL 482 Ca 0.10 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.76 3jry h VAL 482 Cb 0.03 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3jry h VAL 482 CO -0.02 0.47 0.00 0.59 0.02 0.00 0.00 177.57 178.63 3jry n ASN 483 N -3.52 3.39 -0.10 0.57 3.02 -1.19 -4.53 115.26 112.90 3jry n ASN 483 Ca -0.00 -2.24 -0.06 0.00 -0.03 0.00 0.00 54.58 52.25 3jry n ASN 483 Cb 0.59 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3jry n ASN 483 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3jry h ARG 484 N 3.01 0.21 -0.32 3.52 3.08 -1.44 -0.63 114.38 121.81 3jry h ARG 484 Ca 0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 3jry h ARG 484 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3jry h ARG 484 CO 0.13 0.14 -0.30 0.07 -1.07 0.00 0.00 179.97 178.94 3jry h ARG 485 N 0.22 0.77 -0.28 0.04 -0.00 -1.86 -2.24 114.38 111.04 3jry h ARG 485 Ca 0.16 -0.40 -0.00 0.00 -0.00 0.00 0.00 59.98 59.74 3jry h ARG 485 Cb 0.16 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.13 3jry h ARG 485 CO -0.19 1.02 0.16 -1.35 -0.00 0.00 0.00 179.97 179.61 3jry h PRO 486 N 0.53 0.37 0.01 0.08 0.11 -1.86 -2.64 132.00 128.61 3jry h PRO 486 Ca 0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3jry h PRO 486 Cb 0.87 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3jry h PRO 486 CO 0.08 0.26 -0.01 0.00 -0.21 0.00 0.00 178.00 178.12 3jry h PHE 488 N -0.29 1.16 -1.01 0.00 0.04 -1.43 -3.15 116.94 112.26 3jry h PHE 488 Ca -0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.81 3jry h PHE 488 Cb 0.29 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 37.99 3jry h PHE 488 CO 0.02 0.78 0.65 0.77 -0.60 0.00 0.00 178.31 179.94 3jry h SER 489 N 1.21 1.06 1.25 2.17 0.02 -1.42 -2.44 113.55 115.41 3jry h SER 489 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3jry h SER 489 Cb -0.03 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3jry h SER 489 CO -0.06 0.70 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 3jry h ALA 490 N 1.44 1.00 -2.87 3.77 0.00 -1.46 -3.44 119.26 117.69 3jry h ALA 490 Ca 0.42 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.80 3jry h ALA 490 Cb 0.11 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.00 3jry h ALA 490 CO -0.16 0.00 0.54 -0.51 0.00 0.00 0.00 179.25 179.13 3jry s LEU 491 N -6.18 3.90 0.00 0.00 1.02 -0.92 -4.99 118.68 111.52 3jry s LEU 491 Ca 0.03 2.54 0.00 0.00 0.02 0.00 0.00 54.13 56.72 3jry s LEU 491 Cb 0.08 -4.29 0.00 0.00 0.02 0.00 0.00 46.19 42.00 3jry s LEU 491 CO 0.57 -1.31 0.00 -0.62 0.02 0.00 0.00 176.35 175.02 3jry n GLU 492 N -0.86 0.00 -5.04 1.70 -0.58 -1.26 -4.95 120.64 109.65 3jry n GLU 492 Ca 0.09 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.54 3jry n GLU 492 Cb 0.47 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.17 3jry n GLU 492 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3jry s VAL 493 N 0.25 1.79 -0.68 2.62 1.01 -1.26 -3.01 120.40 121.12 3jry s VAL 493 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3jry s VAL 493 Cb 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3jry s VAL 493 CO 0.00 0.50 1.65 -0.62 0.00 0.00 0.00 175.10 176.63 3jry s ASP 494 N 0.37 5.60 0.25 3.32 -1.08 -0.96 -4.84 116.67 119.32 3jry s ASP 494 Ca -0.16 -0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.07 3jry s ASP 494 Cb -0.17 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.71 3jry s ASP 494 CO 0.07 -2.19 1.71 -0.62 0.52 0.00 0.00 175.17 174.66 3jry n GLU 495 N 9.23 0.19 0.00 4.34 1.02 -1.26 -2.62 120.64 131.55 3jry n GLU 495 Ca 0.16 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.82 3jry n GLU 495 Cb 0.51 -1.85 0.23 0.00 -0.02 0.00 0.00 31.44 30.30 3jry n GLU 495 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3jry n THR 496 N -2.22 0.00 -2.49 2.62 5.66 -1.26 -4.94 114.28 111.65 3jry n THR 496 Ca 0.02 -0.11 -0.42 0.00 -3.05 0.00 0.00 64.05 60.49 3jry n THR 496 Cb 0.24 0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 3jry n THR 496 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3jry s TYR 497 N -2.66 3.46 -0.29 1.09 5.04 -1.08 -5.02 117.35 117.90 3jry s TYR 497 Ca 0.19 1.38 -0.21 0.00 -2.44 0.00 0.00 57.07 55.98 3jry s TYR 497 Cb 0.18 -3.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.13 3jry s TYR 497 CO 0.61 -1.00 0.67 0.08 -1.34 0.00 0.00 175.55 174.57 3jry s VAL 498 N 1.16 4.91 0.24 3.14 1.01 -1.26 -5.01 120.40 124.59 3jry s VAL 498 Ca 0.57 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3jry s VAL 498 Cb -0.27 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 3jry s VAL 498 CO 0.28 -0.13 1.10 -2.65 0.00 0.00 0.00 175.10 173.70 3jry n PRO 499 N 5.93 1.33 -2.02 2.72 -0.02 -1.26 -4.89 135.00 136.80 3jry n PRO 499 Ca 0.00 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3jry n PRO 499 Cb 0.49 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 3jry n PRO 499 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3jry s LYS 500 N -1.03 4.28 0.42 -0.52 2.20 -1.07 -4.97 119.74 119.06 3jry s LYS 500 Ca 0.65 2.32 -0.24 0.00 -0.36 0.00 0.00 55.97 58.34 3jry s LYS 500 Cb -0.75 -3.05 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 3jry s LYS 500 CO 0.56 -0.32 1.18 -1.21 -0.36 0.00 0.00 175.35 175.20 3jry s GLU 501 N -1.55 3.92 0.29 4.03 2.02 -1.26 -4.48 118.70 121.67 3jry s GLU 501 Ca 0.52 1.85 -0.30 0.00 0.02 0.00 0.00 54.97 57.06 3jry s GLU 501 Cb -0.42 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.11 3jry s GLU 501 CO 0.53 -0.43 1.51 0.34 0.02 0.00 0.00 175.26 177.23 3jry n PHE 502 N -0.14 2.60 -3.73 1.61 7.35 -1.26 -5.00 117.46 118.89 3jry n PHE 502 Ca 0.05 0.35 -0.26 0.00 -0.76 0.00 0.00 57.45 56.83 3jry n PHE 502 Cb 0.47 -2.54 -0.17 0.00 0.35 0.00 0.00 39.48 37.59 3jry n PHE 502 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3jry s ASN 503 N 0.33 2.37 0.14 -2.13 2.47 -1.26 -5.05 114.94 111.81 3jry s ASN 503 Ca 0.64 -0.53 -0.14 0.00 0.42 0.00 0.00 52.86 53.24 3jry s ASN 503 Cb -0.55 -0.50 0.01 0.00 -1.45 0.00 0.00 41.25 38.76 3jry s ASN 503 CO 0.51 -0.27 1.63 0.00 -3.72 0.00 0.00 177.10 175.25 3jry h ALA 504 N 8.29 0.60 -0.92 1.71 0.00 -1.95 -2.85 119.26 124.14 3jry h ALA 504 Ca -0.17 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.62 3jry h ALA 504 Cb 1.12 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 3jry h ALA 504 CO 0.30 0.31 0.56 0.93 0.00 0.00 0.00 179.25 181.35 3jry h GLU 505 N 0.61 0.91 -0.66 0.00 3.07 -1.99 -1.73 114.58 114.78 3jry h GLU 505 Ca 0.14 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.05 3jry h GLU 505 Cb 0.36 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 3jry h GLU 505 CO 0.01 0.60 0.44 1.15 -1.40 0.00 0.00 179.01 179.81 3jry h THR 506 N 0.93 0.88 -1.82 1.13 2.02 -1.95 -2.62 112.91 111.49 3jry h THR 506 Ca 0.44 -0.16 -0.67 0.00 0.77 0.00 0.00 66.41 66.80 3jry h THR 506 Cb 0.38 0.39 -0.36 0.00 -1.74 0.00 0.00 68.15 66.82 3jry h THR 506 CO -0.24 0.08 0.02 0.49 0.37 0.00 0.00 175.52 176.24 3jry n PHE 507 N -4.48 3.29 -4.37 3.16 3.72 -0.66 -4.97 117.46 113.16 3jry n PHE 507 Ca 0.11 -2.90 -0.26 0.00 -0.05 0.00 0.00 57.45 54.35 3jry n PHE 507 Cb 0.40 -0.58 -0.04 0.00 -0.94 0.00 0.00 39.48 38.32 3jry n PHE 507 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3jry n THR 508 N -0.44 0.00 -2.56 4.37 5.66 -0.99 -4.99 114.28 115.33 3jry n THR 508 Ca 0.44 -1.98 -0.03 0.00 -3.05 0.00 0.00 64.05 59.43 3jry n THR 508 Cb 0.46 0.24 0.01 0.00 -1.55 0.00 0.00 70.33 69.49 3jry n THR 508 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3jry n PHE 509 N -1.25 -3.16 0.00 1.09 1.16 -1.26 -5.06 117.46 108.98 3jry n PHE 509 Ca -0.13 -0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 3jry n PHE 509 Cb 0.54 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 3jry n PHE 509 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 3jry n HIS 510 N -1.45 0.00 0.00 2.97 -0.00 -1.26 -5.01 115.22 110.48 3jry n HIS 510 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 3jry n HIS 510 Cb 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 3jry n HIS 510 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3jry n ALA 511 N -0.64 0.00 0.81 1.57 0.00 -1.26 -4.43 120.51 116.56 3jry n ALA 511 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3jry n ALA 511 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 3jry n ALA 511 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jry n ASP 512 N 0.17 2.21 0.11 0.00 2.03 -1.26 -3.33 116.55 116.48 3jry n ASP 512 Ca 0.00 -1.89 0.02 0.00 0.52 0.00 0.00 54.79 53.44 3jry n ASP 512 Cb 0.00 -0.22 0.37 0.00 -0.72 0.00 0.00 41.12 40.55 3jry n ASP 512 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3jry h ILE 513 N 2.64 1.19 -3.72 5.18 2.10 -1.97 -3.37 117.51 119.57 3jry h ILE 513 Ca 0.00 -0.86 -0.47 0.00 1.08 0.00 0.00 64.86 64.61 3jry h ILE 513 Cb 0.59 1.24 0.20 0.00 -1.09 0.00 0.00 36.82 37.77 3jry h ILE 513 CO 0.00 0.27 0.11 0.00 -1.08 0.00 0.00 178.15 177.45 3jry n THR 515 N -4.58 0.00 -2.81 0.00 -2.24 -1.26 -4.94 114.28 98.45 3jry n THR 515 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 3jry n THR 515 Cb 0.53 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3jry n THR 515 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jry s LEU 516 N 0.00 4.34 1.04 3.22 1.43 -1.18 -5.05 118.68 122.48 3jry s LEU 516 Ca 0.00 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 3jry s LEU 516 Cb 0.00 -3.98 0.22 0.00 0.03 0.00 0.00 46.19 42.46 3jry s LEU 516 CO 0.00 -0.06 1.07 -0.94 0.23 0.00 0.00 176.35 176.65 3jry s SER 517 N -1.62 2.00 0.00 2.29 1.04 -1.26 -4.75 113.70 111.40 3jry s SER 517 Ca 0.50 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.61 3jry s SER 517 Cb -0.18 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3jry s SER 517 CO 0.23 -3.59 0.98 1.21 0.98 0.00 0.00 173.24 173.05 3jry n GLU 518 N -4.53 0.00 -0.26 4.02 4.07 -1.26 -1.71 120.64 120.98 3jry n GLU 518 Ca 0.06 0.65 -0.02 0.00 -0.06 0.00 0.00 57.16 57.80 3jry n GLU 518 Cb 0.54 -1.48 0.01 0.00 -0.06 0.00 0.00 31.44 30.45 3jry n GLU 518 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3jry n LYS 519 N -2.28 -0.17 -0.28 5.31 2.85 -1.26 -0.70 118.16 121.63 3jry n LYS 519 Ca 0.00 1.02 -0.05 0.00 -1.05 0.00 0.00 58.31 58.23 3jry n LYS 519 Cb 0.00 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 32.97 3jry n LYS 519 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3jry h GLU 520 N 0.00 1.16 -0.17 -1.58 5.08 -1.88 -1.30 114.58 115.90 3jry h GLU 520 Ca 0.21 -0.20 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3jry h GLU 520 Cb 0.38 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3jry h GLU 520 CO -0.65 0.92 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.51 3jry h ARG 521 N 1.14 0.67 -0.47 2.33 2.43 -0.02 -1.25 114.38 119.21 3jry h ARG 521 Ca 0.27 -0.50 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 3jry h ARG 521 Cb 0.18 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3jry h ARG 521 CO -0.03 1.12 0.05 1.96 -1.51 0.00 0.00 179.97 181.57 3jry h GLN 522 N 0.48 0.80 -0.89 0.20 4.20 -1.17 -1.35 115.11 117.37 3jry h GLN 522 Ca -0.03 -0.23 0.09 0.00 0.06 0.00 0.00 58.65 58.55 3jry h GLN 522 Cb 1.28 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.91 3jry h GLN 522 CO 0.14 0.82 0.54 0.82 -0.67 0.00 0.00 178.83 180.48 3jry h ILE 523 N 0.66 0.95 -0.27 2.54 1.08 -1.12 0.91 117.51 122.25 3jry h ILE 523 Ca 0.14 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.21 3jry h ILE 523 Cb 0.43 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 3jry h ILE 523 CO 0.01 0.17 -0.15 0.50 -0.69 0.00 0.00 178.15 177.99 3jry h LYS 524 N 0.91 0.59 -0.44 2.37 3.64 -0.90 -1.62 116.57 121.11 3jry h LYS 524 Ca 0.42 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3jry h LYS 524 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3jry h LYS 524 CO -0.23 0.84 -0.05 0.87 -2.27 0.00 0.00 179.45 178.60 3jry h LYS 525 N 0.32 0.76 -0.39 1.90 1.57 -0.90 -2.85 116.57 116.97 3jry h LYS 525 Ca 0.06 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 3jry h LYS 525 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3jry h LYS 525 CO 0.04 0.81 -0.27 1.96 -0.57 0.00 0.00 179.45 181.42 3jry h GLN 526 N 0.70 0.83 -0.80 3.15 4.20 -0.62 -1.91 115.11 120.66 3jry h GLN 526 Ca 0.13 -0.37 0.07 0.00 0.06 0.00 0.00 58.65 58.55 3jry h GLN 526 Cb 0.51 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 3jry h GLN 526 CO 0.03 1.00 0.47 1.15 -0.67 0.00 0.00 178.83 180.81 3jry h THR 527 N 0.71 0.98 -0.14 -0.54 2.02 -1.27 -1.84 112.91 112.83 3jry h THR 527 Ca 0.08 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3jry h THR 527 Cb 0.81 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3jry h THR 527 CO 0.07 0.15 -0.32 0.00 0.37 0.00 0.00 175.52 175.79 3jry h ALA 528 N 1.41 1.21 0.03 6.16 0.00 -1.21 -2.45 119.26 124.40 3jry h ALA 528 Ca 0.36 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jry h ALA 528 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jry h ALA 528 CO -0.20 0.53 -0.01 1.25 0.00 0.00 0.00 179.25 180.81 3jry h LEU 529 N 0.23 -0.03 -0.58 0.00 5.85 -1.00 -1.57 115.31 118.22 3jry h LEU 529 Ca 0.03 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.54 3jry h LEU 529 Cb 0.69 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 3jry h LEU 529 CO 0.05 0.31 -0.04 0.58 -0.34 0.00 0.00 178.44 179.01 3jry h VAL 530 N -0.39 0.50 -0.50 1.05 2.07 -1.23 -1.16 116.25 116.59 3jry h VAL 530 Ca -0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3jry h VAL 530 Cb 0.36 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3jry h VAL 530 CO 0.01 0.02 -0.04 -0.33 0.02 0.00 0.00 177.57 177.25 3jry h GLU 531 N 0.08 0.87 -0.80 1.57 4.39 -1.36 -1.30 114.58 118.03 3jry h GLU 531 Ca 0.29 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3jry h GLU 531 Cb 0.47 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3jry h GLU 531 CO -0.52 0.89 0.48 1.25 -1.16 0.00 0.00 179.01 179.95 3jry h LEU 532 N 0.80 0.96 -0.49 1.33 5.85 -0.73 -1.42 115.31 121.61 3jry h LEU 532 Ca 0.14 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3jry h LEU 532 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3jry h LEU 532 CO 0.03 0.74 -0.16 0.58 -0.34 0.00 0.00 178.44 179.28 3jry h VAL 533 N 1.09 1.27 -0.86 1.05 2.07 -0.90 -1.69 116.25 118.29 3jry h VAL 533 Ca 0.29 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3jry h VAL 533 Cb -0.04 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3jry h VAL 533 CO -0.05 0.46 0.56 0.11 0.02 0.00 0.00 177.57 178.66 3jry h LYS 534 N 0.83 0.99 -0.36 1.57 1.57 -1.04 -1.68 116.57 118.46 3jry h LYS 534 Ca 0.12 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3jry h LYS 534 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3jry h LYS 534 CO 0.06 0.66 -0.24 1.25 -0.57 0.00 0.00 179.45 180.61 3jry h HIS 535 N 1.02 0.80 -2.17 -1.35 2.76 -1.00 -2.83 115.15 112.38 3jry h HIS 535 Ca 0.35 -0.18 -0.57 0.00 -2.20 0.00 0.00 60.37 57.77 3jry h HIS 535 Cb 0.10 -0.19 -0.39 0.00 1.55 0.00 0.00 27.41 28.48 3jry h HIS 535 CO -0.00 0.88 -1.02 1.63 -1.30 0.00 0.00 177.93 178.12 3jry n LYS 536 N -4.11 0.66 0.29 5.26 4.76 -0.66 -4.55 118.16 119.82 3jry n LYS 536 Ca -0.00 -3.32 0.16 0.00 -2.87 0.00 0.00 58.31 52.28 3jry n LYS 536 Cb 0.43 -1.46 0.91 0.00 -1.84 0.00 0.00 35.03 33.07 3jry n LYS 536 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3jry h PRO 537 N 4.61 0.00 -0.53 1.97 0.11 -1.53 -2.08 132.00 134.55 3jry h PRO 537 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3jry h PRO 537 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3jry h PRO 537 CO 0.46 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 179.92 3jry n LYS 538 N -3.56 2.64 -1.79 1.05 4.01 -1.26 -4.95 118.16 114.29 3jry n LYS 538 Ca -0.02 -2.36 -0.41 0.00 -0.51 0.00 0.00 58.31 55.00 3jry n LYS 538 Cb 0.14 -1.46 -0.01 0.00 -0.51 0.00 0.00 35.03 33.20 3jry n LYS 538 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3jry s ALA 539 N -1.08 3.65 0.94 7.82 0.00 -0.78 -4.98 121.76 127.32 3jry s ALA 539 Ca 0.38 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.77 3jry s ALA 539 Cb 0.20 -3.63 0.19 0.00 0.00 0.00 0.00 23.12 19.88 3jry s ALA 539 CO 0.27 -1.02 1.30 -0.08 0.00 0.00 0.00 175.76 176.23 3jry s THR 540 N -0.63 2.01 0.26 0.00 -1.32 -1.26 -4.86 115.64 109.83 3jry s THR 540 Ca 0.57 -0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.99 3jry s THR 540 Cb -0.47 -2.98 0.19 0.00 -1.51 0.00 0.00 72.50 67.73 3jry s THR 540 CO 0.57 0.00 1.85 0.50 -2.21 0.00 0.00 174.62 175.33 3jry h LYS 541 N -1.55 1.08 -0.02 7.08 3.64 -1.99 -2.11 116.57 122.70 3jry h LYS 541 Ca -0.44 -0.16 -0.22 0.00 -1.27 0.00 0.00 60.65 58.56 3jry h LYS 541 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3jry h LYS 541 CO 0.41 0.84 -0.91 1.49 -2.27 0.00 0.00 179.45 179.00 3jry h GLU 542 N 1.07 0.44 -0.26 1.90 4.57 -1.99 -2.18 114.58 118.13 3jry h GLU 542 Ca 0.26 -0.45 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 3jry h GLU 542 Cb 0.13 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3jry h GLU 542 CO -0.03 1.11 -0.28 1.96 -1.18 0.00 0.00 179.01 180.59 3jry h GLN 543 N 0.26 0.65 -0.13 1.92 4.20 -1.91 -2.90 115.11 117.21 3jry h GLN 543 Ca -0.07 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 3jry h GLN 543 Cb 1.54 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3jry h GLN 543 CO 0.16 0.96 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.97 3jry h LEU 544 N 0.38 0.23 0.66 1.46 3.38 -1.42 -2.68 115.31 117.32 3jry h LEU 544 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3jry h LEU 544 Cb 0.85 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3jry h LEU 544 CO 0.07 0.48 -0.32 0.50 0.09 0.00 0.00 178.44 179.26 3jry h LYS 545 N 0.21 -0.85 -0.97 1.13 1.63 -1.32 -2.14 116.57 114.26 3jry h LYS 545 Ca 0.04 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.02 3jry h LYS 545 Cb 0.54 0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 32.28 3jry h LYS 545 CO 0.04 -0.56 0.61 0.00 -3.45 0.00 0.00 179.45 176.09 3jry h ALA 546 N -0.58 1.62 -0.17 5.00 0.00 -1.39 -1.44 119.26 122.30 3jry h ALA 546 Ca -0.09 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3jry h ALA 546 Cb 0.69 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3jry h ALA 546 CO 0.15 0.12 -0.65 -0.24 0.00 0.00 0.00 179.25 178.63 3jry h VAL 547 N 0.89 1.30 -0.38 0.00 3.04 -1.35 -1.46 116.25 118.29 3jry h VAL 547 Ca 0.49 -1.87 -0.06 0.00 -1.01 0.00 0.00 66.70 64.25 3jry h VAL 547 Cb 0.58 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 3jry h VAL 547 CO -0.25 0.59 0.00 0.24 -1.01 0.00 0.00 177.57 177.14 3jry h MET 548 N 0.47 0.67 -0.42 4.17 2.07 -1.04 -0.86 114.93 119.99 3jry h MET 548 Ca -0.03 -0.21 -0.02 0.00 -2.07 0.00 0.00 59.70 57.36 3jry h MET 548 Cb 1.28 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.92 3jry h MET 548 CO 0.14 0.77 0.15 -0.44 1.07 0.00 0.00 176.91 178.60 3jry h ASP 549 N 0.49 0.54 -0.35 1.22 3.32 -1.27 -0.20 116.42 120.17 3jry h ASP 549 Ca 0.11 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3jry h ASP 549 Cb 0.46 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3jry h ASP 549 CO 0.02 0.50 -0.27 0.44 -1.72 0.00 0.00 179.24 178.22 3jry h ASP 550 N 0.59 0.89 -0.03 6.45 5.19 -0.98 -2.85 116.42 125.68 3jry h ASP 550 Ca 0.14 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3jry h ASP 550 Cb 0.14 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 3jry h ASP 550 CO -0.01 1.10 0.00 0.15 -3.12 0.00 0.00 179.24 177.36 3jry h PHE 551 N 0.73 0.06 -0.93 4.55 3.57 -0.33 -1.56 116.94 123.04 3jry h PHE 551 Ca 0.09 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3jry h PHE 551 Cb 0.81 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.47 3jry h PHE 551 CO 0.05 0.31 0.60 0.00 -2.23 0.00 0.00 178.31 177.04 3jry h ALA 552 N 0.75 1.53 -0.04 2.41 0.00 -1.09 -0.94 119.26 121.88 3jry h ALA 552 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3jry h ALA 552 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3jry h ALA 552 CO 0.00 0.30 -0.71 0.00 0.00 0.00 0.00 179.25 178.85 3jry h ALA 553 N 1.52 0.73 -0.31 0.00 0.00 -1.44 -2.58 119.26 117.18 3jry h ALA 553 Ca 0.42 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3jry h ALA 553 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3jry h ALA 553 CO -0.17 0.80 0.03 0.35 0.00 0.00 0.00 179.25 180.25 3jry h PHE 554 N 0.15 0.57 -0.56 0.00 3.57 -0.16 -2.16 116.94 118.35 3jry h PHE 554 Ca -0.02 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 3jry h PHE 554 Cb 1.26 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3jry h PHE 554 CO 0.02 0.64 0.23 0.28 -2.23 0.00 0.00 178.31 177.25 3jry h VAL 555 N 0.34 1.22 -0.79 1.41 2.07 -1.22 -2.22 116.25 117.06 3jry h VAL 555 Ca 0.09 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3jry h VAL 555 Cb 0.39 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3jry h VAL 555 CO 0.01 0.26 0.44 -0.08 0.02 0.00 0.00 177.57 178.22 3jry h GLU 556 N 0.76 1.09 -0.48 1.57 4.57 -1.38 -2.67 114.58 118.05 3jry h GLU 556 Ca 0.19 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 3jry h GLU 556 Cb 0.18 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3jry h GLU 556 CO -0.02 0.80 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.29 3jry h LYS 557 N 1.10 0.91 0.00 1.92 3.64 -1.13 -3.30 116.57 119.70 3jry h LYS 557 Ca 0.28 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3jry h LYS 557 Cb 0.02 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3jry h LYS 557 CO -0.05 0.99 -0.49 0.00 -2.27 0.00 0.00 179.45 177.64 3jry n LYS 560 N -3.12 1.43 -1.16 0.00 2.85 -1.24 -4.99 118.16 111.93 3jry n LYS 560 Ca 0.02 -1.30 -0.34 0.00 -1.05 0.00 0.00 58.31 55.65 3jry n LYS 560 Cb 0.63 -1.30 0.12 0.00 -0.65 0.00 0.00 35.03 33.83 3jry n LYS 560 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3jry s ALA 561 N -1.53 1.87 -0.03 0.58 0.00 -1.17 -4.96 121.76 116.53 3jry s ALA 561 Ca 0.18 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 3jry s ALA 561 Cb 0.14 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.55 3jry s ALA 561 CO 0.26 -2.25 1.21 -0.44 0.00 0.00 0.00 175.76 174.55 3jry h ASP 562 N -0.78 0.05 -3.69 0.00 3.32 -1.93 -3.37 116.42 110.01 3jry h ASP 562 Ca -0.47 -0.55 -0.77 0.00 0.02 0.00 0.00 57.03 55.26 3jry h ASP 562 Cb 1.30 -0.01 -0.27 0.00 0.22 0.00 0.00 39.33 40.57 3jry h ASP 562 CO 0.47 0.59 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.91 3jry s ASP 563 N -5.81 6.42 0.08 6.45 -1.08 -1.26 -4.96 116.67 116.50 3jry s ASP 563 Ca -0.16 -2.50 -0.16 0.00 -0.52 0.00 0.00 52.55 49.21 3jry s ASP 563 Cb 0.01 -2.16 -0.11 0.00 -1.46 0.00 0.00 42.92 39.20 3jry s ASP 563 CO 0.69 -0.61 1.37 0.11 0.52 0.00 0.00 175.17 177.25 3jry h LYS 564 N 7.94 0.61 -0.29 4.34 1.57 -1.80 -2.66 116.57 126.27 3jry h LYS 564 Ca -0.00 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 3jry h LYS 564 Cb 1.04 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3jry h LYS 564 CO 0.81 0.96 -0.28 0.93 -0.57 0.00 0.00 179.45 181.29 3jry h GLU 565 N 0.30 0.59 -0.39 3.15 3.07 -1.93 -0.30 114.58 119.09 3jry h GLU 565 Ca 0.03 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.54 3jry h GLU 565 Cb 0.88 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3jry h GLU 565 CO 0.07 0.81 -0.18 1.15 -1.40 0.00 0.00 179.01 179.47 3jry h THR 566 N 0.51 1.26 -0.07 1.13 2.02 -1.98 -1.69 112.91 114.09 3jry h THR 566 Ca 0.07 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 3jry h THR 566 Cb 0.75 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3jry h THR 566 CO 0.06 0.42 -0.02 0.00 0.37 0.00 0.00 175.52 176.35 3jry h PHE 568 N -0.19 0.45 0.12 0.00 0.04 -1.00 0.40 116.94 116.74 3jry h PHE 568 Ca 0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3jry h PHE 568 Cb 0.41 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3jry h PHE 568 CO 0.05 0.17 -0.06 0.00 -0.60 0.00 0.00 178.31 177.88 3jry h ALA 569 N 1.35 -0.16 0.23 2.45 0.00 -1.28 -2.21 119.26 119.64 3jry h ALA 569 Ca 0.27 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 3jry h ALA 569 Cb 0.26 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.14 3jry h ALA 569 CO -0.23 -0.43 -1.42 0.93 0.00 0.00 0.00 179.25 178.10 3jry h GLU 570 N -0.47 0.48 0.00 0.00 5.08 -1.06 -3.00 114.58 115.60 3jry h GLU 570 Ca -0.02 -0.82 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 3jry h GLU 570 Cb 0.38 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3jry h GLU 570 CO 0.03 1.39 0.00 0.39 -1.00 0.00 0.00 179.01 179.82 3jry n GLU 571 N -3.77 0.10 -0.02 2.33 -0.58 0.14 -3.14 120.64 115.69 3jry n GLU 571 Ca -0.18 0.30 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 3jry n GLU 571 Cb 1.05 -1.67 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 3jry n GLU 571 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3jry h GLY 572 N 2.70 0.42 1.77 0.62 0.00 -1.25 -2.99 103.07 104.33 3jry h GLY 572 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3jry h GLY 572 CO 0.00 0.56 -0.05 0.50 0.00 0.00 0.00 176.54 177.55 3jry h LYS 573 N -0.11 0.29 -0.35 4.80 1.57 -1.48 -1.77 116.57 119.52 3jry h LYS 573 Ca -0.04 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3jry h LYS 573 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3jry h LYS 573 CO 0.09 0.37 -0.14 0.87 -0.57 0.00 0.00 179.45 180.07 3jry h LYS 574 N 0.29 0.71 0.28 3.15 1.79 -1.62 0.08 116.57 121.25 3jry h LYS 574 Ca 0.06 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 3jry h LYS 574 Cb 0.29 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3jry h LYS 574 CO 0.01 0.89 -0.18 1.25 -1.08 0.00 0.00 179.45 180.35 3jry h LEU 575 N 0.49 -0.45 -0.87 2.94 5.85 -1.30 -0.99 115.31 120.99 3jry h LEU 575 Ca 0.08 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.00 3jry h LEU 575 Cb 0.66 0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.72 3jry h LEU 575 CO 0.04 -0.29 0.42 0.58 -0.34 0.00 0.00 178.44 178.86 3jry h VAL 576 N -0.45 0.63 -0.27 1.05 2.07 -1.30 -2.76 116.25 115.23 3jry h VAL 576 Ca -0.03 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3jry h VAL 576 Cb 0.37 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3jry h VAL 576 CO 0.03 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 3jry h ALA 577 N 1.62 0.36 -1.87 1.67 0.00 -0.50 -3.40 119.26 117.14 3jry h ALA 577 Ca 0.50 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.60 3jry h ALA 577 Cb 0.81 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3jry h ALA 577 CO -0.42 0.11 1.25 0.00 0.00 0.00 0.00 179.25 180.19 3jry s ALA 578 N -4.95 2.92 0.00 0.00 0.00 -0.42 -5.09 121.76 114.22 3jry s ALA 578 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3jry s ALA 578 Cb 0.08 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3jry s ALA 578 CO 0.76 -2.55 0.00 -1.13 0.00 0.00 0.00 175.76 172.83