#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n THR 6 N 0.00 0.00 -0.45 2.61 -2.24 -1.26 -4.91 114.28 108.03 3hye n THR 6 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hye n THR 6 Cb 0.00 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3hye n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 7 N 0.27 0.74 0.18 3.38 0.00 -1.26 -4.94 105.19 103.57 3hye n GLY 7 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3hye n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hye h TYR 8 N 0.00 0.00 -0.68 1.61 0.05 -1.95 -2.70 116.97 113.30 3hye h TYR 8 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hye h TYR 8 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3hye h TYR 8 CO 0.00 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.71 3hye n ASP 9 N -2.46 3.99 0.01 3.88 5.75 -1.26 -4.37 116.55 122.09 3hye n ASP 9 Ca 0.01 -2.12 0.01 0.00 -0.01 0.00 0.00 54.79 52.68 3hye n ASP 9 Cb 0.18 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 3hye n ASP 9 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hye n LEU 10 N 1.43 0.57 -4.37 -2.12 4.77 -1.02 -4.59 117.00 111.66 3hye n LEU 10 Ca 0.24 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 3hye n LEU 10 Cb 0.67 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.72 3hye n LEU 10 CO 0.18 0.14 -0.53 -0.55 -1.33 0.00 0.00 177.39 175.30 3hye s SER 11 N -5.47 3.42 0.10 -1.43 0.15 -1.26 -5.08 113.70 104.13 3hye s SER 11 Ca -0.05 -0.38 -0.24 0.00 0.70 0.00 0.00 55.95 55.98 3hye s SER 11 Cb 0.09 -0.52 -0.11 0.00 -1.71 0.00 0.00 66.02 63.77 3hye s SER 11 CO 0.83 0.32 1.70 -1.13 1.20 0.00 0.00 173.24 176.16 3hye h ASN 12 N 5.36 -0.28 -0.29 5.45 -1.24 -1.83 -3.23 115.58 119.52 3hye h ASN 12 Ca -0.45 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.60 3hye h ASN 12 Cb 1.13 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.29 3hye h ASN 12 CO 0.48 -0.15 0.00 -1.54 -1.29 0.00 0.00 177.43 174.93 3hye n SER 13 N -5.22 1.94 -4.71 1.15 3.41 -1.25 -4.67 113.62 104.26 3hye n SER 13 Ca -0.07 -2.09 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 3hye n SER 13 Cb 0.14 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3hye n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hye s VAL 14 N -1.62 4.74 0.06 -3.33 1.01 -1.22 -4.95 120.40 115.08 3hye s VAL 14 Ca 0.21 1.97 -0.28 0.00 0.00 0.00 0.00 61.98 63.88 3hye s VAL 14 Cb 0.12 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3hye s VAL 14 CO 0.12 0.13 0.87 -0.36 0.00 0.00 0.00 175.10 175.86 3hye s PHE 15 N 1.18 3.74 0.63 5.22 0.08 -1.26 -4.45 117.98 123.12 3hye s PHE 15 Ca 0.52 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 59.12 3hye s PHE 15 Cb -0.22 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.30 3hye s PHE 15 CO 0.27 0.19 0.95 -1.54 -0.10 0.00 0.00 175.22 174.99 3hye s SER 16 N 0.19 5.38 0.56 1.36 1.04 -0.03 -4.89 113.70 117.31 3hye s SER 16 Ca 0.44 0.71 0.29 0.00 0.48 0.00 0.00 55.95 57.86 3hye s SER 16 Cb -0.21 -1.59 1.46 0.00 0.10 0.00 0.00 66.02 65.78 3hye s SER 16 CO 0.26 -1.23 1.92 -0.65 0.98 0.00 0.00 173.24 174.52 3hye h PRO 17 N -0.34 0.00 -0.41 4.02 0.11 -1.97 0.43 132.00 133.84 3hye h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hye h PRO 17 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3hye n ASP 18 N -4.05 2.19 -0.15 -2.05 3.85 -1.26 -4.93 116.55 110.16 3hye n ASP 18 Ca 0.12 -2.01 -0.02 0.00 -0.71 0.00 0.00 54.79 52.17 3hye n ASP 18 Cb 0.75 -0.28 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 3hye n ASP 18 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hye n GLY 19 N 1.13 0.50 3.86 6.12 0.00 0.15 -5.06 105.19 111.90 3hye n GLY 19 Ca 0.14 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 3hye n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hye s ARG 20 N -2.34 2.85 -0.66 1.61 0.52 -1.25 -4.76 118.95 114.92 3hye s ARG 20 Ca 0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 3hye s ARG 20 Cb 0.00 -2.55 0.16 0.00 0.52 0.00 0.00 34.95 33.08 3hye s ARG 20 CO 0.00 0.20 0.46 1.21 0.02 0.00 0.00 175.30 177.19 3hye s ASN 21 N -3.97 5.07 0.37 0.23 3.84 -1.26 -0.85 114.94 118.37 3hye s ASN 21 Ca 0.39 -3.18 0.15 0.00 0.21 0.00 0.00 52.86 50.43 3hye s ASN 21 Cb -0.07 -1.78 1.02 0.00 -0.55 0.00 0.00 41.25 39.87 3hye s ASN 21 CO 0.27 -0.26 1.76 -0.26 -2.79 0.00 0.00 177.10 175.81 3hye h PHE 22 N 6.50 0.78 -0.44 0.43 0.04 -1.83 -0.54 116.94 121.88 3hye h PHE 22 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3hye h PHE 22 Cb 0.89 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 3hye h PHE 22 CO 0.66 0.07 0.15 1.96 -0.60 0.00 0.00 178.31 180.56 3hye h GLN 23 N 0.47 0.64 -0.60 1.51 1.08 -1.83 0.56 115.11 116.93 3hye h GLN 23 Ca 0.61 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 57.62 3hye h GLN 23 Cb 1.39 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 3hye h GLN 23 CO -0.35 0.55 -0.00 0.28 -0.95 0.00 0.00 178.83 178.35 3hye h VAL 24 N 0.63 1.26 -0.38 -0.54 2.07 -1.40 -1.35 116.25 116.53 3hye h VAL 24 Ca 0.15 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 3hye h VAL 24 Cb 0.17 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3hye h VAL 24 CO -0.01 0.42 -0.08 -0.33 0.02 0.00 0.00 177.57 177.59 3hye h GLU 25 N 0.97 0.66 -0.01 1.57 5.08 -1.02 -1.82 114.58 120.00 3hye h GLU 25 Ca 0.17 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3hye h GLU 25 Cb 0.56 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3hye h GLU 25 CO 0.03 0.73 -0.56 1.88 -1.00 0.00 0.00 179.01 180.09 3hye h TYR 26 N 0.61 0.05 -0.52 4.33 -1.99 -0.67 -2.48 116.97 116.29 3hye h TYR 26 Ca 0.11 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 3hye h TYR 26 Cb 0.50 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3hye h TYR 26 CO 0.02 0.59 0.19 0.00 -0.00 0.00 0.00 178.16 178.97 3hye h ALA 27 N 1.41 0.68 -0.99 3.88 0.00 -0.51 -1.99 119.26 121.73 3hye h ALA 27 Ca -0.00 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.87 3hye h ALA 27 Cb 1.00 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3hye h ALA 27 CO 0.08 0.30 0.62 0.28 0.00 0.00 0.00 179.25 180.53 3hye h VAL 28 N 0.70 0.88 -0.88 0.00 2.07 -0.91 0.52 116.25 118.63 3hye h VAL 28 Ca 0.17 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3hye h VAL 28 Cb 0.22 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 3hye h VAL 28 CO -0.01 0.17 0.58 0.11 0.02 0.00 0.00 177.57 178.44 3hye h LYS 29 N 0.93 1.04 -0.34 1.57 1.79 -1.11 0.51 116.57 120.96 3hye h LYS 29 Ca 0.50 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.86 3hye h LYS 29 Cb 0.57 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3hye h LYS 29 CO -0.27 0.69 0.01 0.00 -1.08 0.00 0.00 179.45 178.80 3hye h ALA 30 N 1.50 1.39 -0.19 3.86 0.00 -0.74 -1.95 119.26 123.12 3hye h ALA 30 Ca 0.36 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hye h ALA 30 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hye h ALA 30 CO -0.12 0.43 -0.15 0.28 0.00 0.00 0.00 179.25 179.69 3hye h VAL 31 N 0.50 1.32 0.00 0.00 2.07 -0.52 -3.00 116.25 116.63 3hye h VAL 31 Ca 0.11 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 3hye h VAL 31 Cb 0.31 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3hye h VAL 31 CO 0.01 0.38 -0.15 -0.33 0.02 0.00 0.00 177.57 177.51 3hye h GLU 32 N 0.11 0.00 -0.00 1.57 5.08 -0.83 -1.33 114.58 119.18 3hye h GLU 32 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hye h GLU 32 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hye h GLU 32 CO 0.04 0.15 -0.01 -1.71 -1.00 0.00 0.00 179.01 176.47 3hye n ASN 33 N -3.67 0.23 -5.00 1.42 2.85 -0.75 -2.74 115.26 107.60 3hye n ASN 33 Ca -0.02 -0.84 -0.19 0.00 -0.11 0.00 0.00 54.58 53.43 3hye n ASN 33 Cb 0.27 -0.06 0.02 0.00 1.24 0.00 0.00 39.78 41.24 3hye n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3hye s GLY 34 N -2.17 1.88 0.66 8.20 0.00 -0.50 -4.84 107.32 110.54 3hye s GLY 34 Ca 0.41 -1.53 -0.17 0.00 0.00 0.00 0.00 44.72 43.43 3hye s GLY 34 CO 0.40 -1.32 0.43 2.41 0.00 0.00 0.00 173.10 175.02 3hye n THR 35 N -2.00 1.79 -3.26 0.90 -1.04 -1.26 0.36 114.28 109.77 3hye n THR 35 Ca 0.07 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.05 61.27 3hye n THR 35 Cb 0.59 -0.64 -0.06 0.00 -1.82 0.00 0.00 70.33 68.40 3hye n THR 35 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3hye s THR 36 N -1.84 4.73 0.04 12.58 -1.32 -1.26 -4.14 115.64 124.43 3hye s THR 36 Ca 0.65 1.09 -0.07 0.00 -1.21 0.00 0.00 61.69 62.15 3hye s THR 36 Cb -0.39 -3.83 -0.00 0.00 -1.51 0.00 0.00 72.50 66.76 3hye s THR 36 CO 0.58 0.35 0.14 -0.94 -2.21 0.00 0.00 174.62 172.54 3hye s SER 37 N -1.48 0.11 0.32 8.08 1.04 -0.61 -1.36 113.70 119.80 3hye s SER 37 Ca 0.36 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 3hye s SER 37 Cb -0.17 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 3hye s SER 37 CO 0.20 -0.54 0.38 0.27 0.98 0.00 0.00 173.24 174.53 3hye s ILE 38 N -2.65 0.00 -0.13 -1.02 -4.36 0.39 -1.83 121.20 111.60 3hye s ILE 38 Ca -0.05 -1.74 -0.12 0.00 -0.26 0.00 0.00 60.65 58.48 3hye s ILE 38 Cb -0.01 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.18 3hye s ILE 38 CO -0.05 0.00 0.35 -0.83 0.24 0.00 0.00 174.94 174.65 3hye s GLY 39 N -3.26 -0.26 -0.09 6.27 0.00 -0.09 -2.26 107.32 107.63 3hye s GLY 39 Ca 0.34 1.00 0.00 0.00 0.00 0.00 0.00 44.72 46.06 3hye s GLY 39 CO 0.21 0.88 -0.08 -0.42 0.00 0.00 0.00 173.10 173.70 3hye s ILE 40 N 0.25 0.93 -0.16 0.90 1.01 0.21 -0.95 121.20 123.39 3hye s ILE 40 Ca -0.01 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3hye s ILE 40 Cb -0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3hye s ILE 40 CO -0.00 0.34 0.66 -0.75 0.00 0.00 0.00 174.94 175.19 3hye s LYS 41 N 1.37 4.28 0.55 2.79 2.20 -0.63 -0.50 119.74 129.80 3hye s LYS 41 Ca -0.02 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.37 3hye s LYS 41 Cb -0.14 -3.54 0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3hye s LYS 41 CO -0.04 -0.15 0.46 0.00 -0.36 0.00 0.00 175.35 175.26 3hye h ASN 43 N 0.67 0.00 0.00 0.00 -0.00 -0.92 -3.13 115.58 112.20 3hye h ASN 43 Ca -0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 55.93 3hye h ASN 43 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.60 3hye h ASN 43 CO 0.55 0.00 -0.27 -0.90 -0.00 0.00 0.00 177.43 176.80 3hye n ASP 44 N -2.74 -0.01 -0.01 6.14 3.85 -1.26 -4.95 116.55 117.57 3hye n ASP 44 Ca -0.02 -1.52 0.00 0.00 -0.71 0.00 0.00 54.79 52.54 3hye n ASP 44 Cb 0.31 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 3hye n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hye n GLY 45 N 0.02 1.36 3.15 6.12 0.00 -1.18 -0.96 105.19 113.70 3hye n GLY 45 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3hye n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 46 N -2.29 0.11 0.01 1.61 -7.23 -0.43 -0.74 120.40 111.45 3hye s VAL 46 Ca 0.00 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 3hye s VAL 46 Cb 0.00 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 3hye s VAL 46 CO 0.00 -0.50 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.42 3hye s VAL 47 N -2.32 1.43 -0.02 1.32 1.01 0.34 -1.05 120.40 121.11 3hye s VAL 47 Ca -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3hye s VAL 47 Cb -0.02 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3hye s VAL 47 CO -0.03 0.29 -0.18 -0.36 0.00 0.00 0.00 175.10 174.82 3hye s PHE 48 N -0.57 1.67 -0.00 5.22 0.40 0.12 -0.62 117.98 124.20 3hye s PHE 48 Ca 0.06 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.97 3hye s PHE 48 Cb -0.07 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.37 3hye s PHE 48 CO 0.00 -0.06 0.15 0.00 0.70 0.00 0.00 175.22 176.02 3hye s ALA 49 N -0.34 -0.36 0.05 5.36 0.00 -0.96 -0.01 121.76 125.49 3hye s ALA 49 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 3hye s ALA 49 Cb -0.08 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3hye s ALA 49 CO -0.00 -0.21 0.21 0.54 0.00 0.00 0.00 175.76 176.30 3hye s VAL 50 N -1.33 0.11 -0.21 0.00 0.11 -0.39 -0.46 120.40 118.23 3hye s VAL 50 Ca -0.14 -0.90 -0.16 0.00 -2.93 0.00 0.00 61.98 57.85 3hye s VAL 50 Cb -0.07 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3hye s VAL 50 CO 0.02 -0.49 0.42 -0.70 -3.33 0.00 0.00 175.10 171.01 3hye s GLU 51 N -2.71 4.16 -0.47 1.54 2.12 -0.46 -2.73 118.70 120.14 3hye s GLU 51 Ca -0.04 0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 3hye s GLU 51 Cb -0.00 -3.55 0.13 0.00 0.26 0.00 0.00 34.13 30.96 3hye s GLU 51 CO -0.05 -0.08 0.27 0.15 -0.54 0.00 0.00 175.26 175.02 3hye s LYS 52 N 1.45 2.17 0.14 4.30 1.02 -0.04 -4.65 119.74 124.12 3hye s LYS 52 Ca 0.20 -2.04 -0.31 0.00 0.02 0.00 0.00 55.97 53.84 3hye s LYS 52 Cb -0.15 -3.63 -0.11 0.00 -0.52 0.00 0.00 37.83 33.43 3hye s LYS 52 CO 0.08 -1.10 1.82 -0.51 -0.92 0.00 0.00 175.35 174.72 3hye s LEU 53 N 0.78 4.40 -0.87 3.17 1.43 -1.26 0.08 118.68 126.41 3hye s LEU 53 Ca 0.11 2.79 -0.20 0.00 -1.03 0.00 0.00 54.13 55.80 3hye s LEU 53 Cb -0.22 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.54 3hye s LEU 53 CO -0.04 -1.01 1.10 -0.63 0.23 0.00 0.00 176.35 176.01 3hye s ILE 54 N 2.54 4.58 0.33 -0.59 1.01 0.13 -4.86 121.20 124.34 3hye s ILE 54 Ca 0.80 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3hye s ILE 54 Cb -0.47 -4.77 0.30 0.00 0.01 0.00 0.00 42.46 37.53 3hye s ILE 54 CO 0.36 -1.52 1.89 0.74 0.00 0.00 0.00 174.94 176.41 3hye h THR 55 N 5.93 0.95 -2.90 2.92 2.02 -1.91 -3.39 112.91 116.53 3hye h THR 55 Ca 0.05 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.01 3hye h THR 55 Cb 1.03 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3hye h THR 55 CO 1.15 0.15 0.28 -0.94 0.37 0.00 0.00 175.52 176.53 3hye s SER 56 N -5.91 -0.19 0.56 4.18 1.04 -1.26 -5.01 113.70 107.11 3hye s SER 56 Ca -0.11 -0.70 0.35 0.00 0.48 0.00 0.00 55.95 55.98 3hye s SER 56 Cb 0.21 0.72 1.57 0.00 0.10 0.00 0.00 66.02 68.62 3hye s SER 56 CO 0.79 -1.35 2.05 0.11 0.98 0.00 0.00 173.24 175.82 3hye h LYS 57 N 2.00 0.00 0.00 4.02 1.79 -2.04 -2.95 116.57 119.40 3hye h LYS 57 Ca -0.23 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 3hye h LYS 57 Cb 1.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hye h LYS 57 CO 0.27 0.00 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.47 3hye h LEU 58 N 0.00 0.00 -9.10 2.94 3.38 -1.99 -3.43 115.31 107.12 3hye h LEU 58 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3hye h LEU 58 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3hye h LEU 58 CO 0.00 0.11 1.12 -0.76 0.09 0.00 0.00 178.44 179.00 3hye s LEU 59 N -6.90 4.01 0.05 1.67 1.02 -1.12 -4.92 118.68 112.49 3hye s LEU 59 Ca -0.02 1.80 -0.31 0.00 0.02 0.00 0.00 54.13 55.62 3hye s LEU 59 Cb 0.12 -3.53 -0.10 0.00 0.02 0.00 0.00 46.19 42.70 3hye s LEU 59 CO 0.57 -1.17 1.93 0.52 0.02 0.00 0.00 176.35 178.22 3hye n VAL 60 N 6.16 0.65 -1.86 -1.59 0.31 -1.26 -4.90 118.33 115.84 3hye n VAL 60 Ca 0.19 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 3hye n VAL 60 Cb 0.45 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.15 3hye n VAL 60 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hye s PRO 61 N 3.96 3.87 0.00 5.55 0.02 -1.26 -2.87 135.00 144.27 3hye s PRO 61 Ca 0.87 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.29 3hye s PRO 61 Cb -0.47 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3hye s PRO 61 CO 0.41 -0.66 0.00 1.04 -0.33 0.00 0.00 177.00 177.47 3hye n GLN 62 N 0.07 0.00 0.07 5.54 1.13 -1.26 -4.86 117.38 118.08 3hye n GLN 62 Ca 0.04 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.88 3hye n GLN 62 Cb 0.41 -2.94 -0.15 0.00 0.11 0.00 0.00 30.24 27.68 3hye n GLN 62 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3hye h LYS 63 N 1.24 0.36 -4.97 -1.09 1.79 -1.92 -3.40 116.57 108.57 3hye h LYS 63 Ca 0.00 -0.61 -0.70 0.00 -2.18 0.00 0.00 60.65 57.15 3hye h LYS 63 Cb 0.00 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 3hye h LYS 63 CO 0.00 1.29 2.29 0.09 -1.08 0.00 0.00 179.45 182.04 3hye n ASN 64 N -3.97 4.73 -4.74 0.86 3.02 -1.26 -4.97 115.26 108.93 3hye n ASN 64 Ca -0.17 -2.93 -0.42 0.00 -0.03 0.00 0.00 54.58 51.04 3hye n ASN 64 Cb 0.92 -1.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 3hye n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hye s VAL 65 N 3.15 2.93 -0.16 2.41 1.01 -1.26 -4.95 120.40 123.54 3hye s VAL 65 Ca 0.49 0.75 0.11 0.00 0.00 0.00 0.00 61.98 63.32 3hye s VAL 65 Cb 0.06 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 3hye s VAL 65 CO 0.02 0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.51 3hye n LYS 66 N 2.82 1.33 -2.35 2.72 5.02 -1.26 -4.97 118.16 121.47 3hye n LYS 66 Ca 0.08 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 3hye n LYS 66 Cb 0.41 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3hye n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 67 N -2.36 3.29 0.05 -0.18 1.01 -1.26 -4.82 121.20 116.93 3hye s ILE 67 Ca -0.11 1.24 0.07 0.00 0.00 0.00 0.00 60.65 61.84 3hye s ILE 67 Cb 0.05 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3hye s ILE 67 CO 0.57 0.27 -0.19 -1.10 0.00 0.00 0.00 174.94 174.49 3hye s GLN 68 N -1.22 1.24 -0.00 2.79 -0.21 -0.10 -4.98 119.66 117.18 3hye s GLN 68 Ca 0.48 -0.94 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 3hye s GLN 68 Cb -0.34 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.27 3hye s GLN 68 CO 0.43 0.34 0.17 0.54 -2.12 0.00 0.00 175.29 174.65 3hye s VAL 69 N -0.88 5.31 -0.08 1.09 0.11 -1.26 -0.16 120.40 124.53 3hye s VAL 69 Ca 0.06 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3hye s VAL 69 Cb -0.09 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 3hye s VAL 69 CO 0.02 0.32 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.21 3hye s VAL 70 N -1.31 1.78 0.00 2.04 1.01 -0.11 -4.97 120.40 118.83 3hye s VAL 70 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3hye s VAL 70 Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3hye s VAL 70 CO 0.18 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 175.11 3hye n ASP 71 N 3.48 0.00 0.00 3.32 2.03 -1.26 -2.40 116.55 121.72 3hye n ASP 71 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 3hye n ASP 71 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3hye n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hye n ARG 72 N 14.00 3.11 -0.04 -0.67 1.74 -1.26 -4.81 116.66 128.74 3hye n ARG 72 Ca 0.00 -0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 3hye n ARG 72 Cb 0.00 -0.39 0.03 0.00 -1.02 0.00 0.00 32.46 31.08 3hye n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3hye n HIS 73 N -0.46 0.09 -4.89 -1.55 1.44 -1.23 -1.62 115.22 107.00 3hye n HIS 73 Ca 0.00 -0.50 -0.26 0.00 -2.01 0.00 0.00 57.72 54.95 3hye n HIS 73 Cb 0.02 -0.05 -0.16 0.00 0.12 0.00 0.00 29.99 29.93 3hye n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hye s ILE 74 N -1.00 1.47 0.05 0.61 1.01 -1.01 -3.70 121.20 118.62 3hye s ILE 74 Ca 0.05 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.00 3hye s ILE 74 Cb 0.02 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3hye s ILE 74 CO 0.03 0.42 -0.24 -0.83 0.00 0.00 0.00 174.94 174.32 3hye s GLY 75 N -0.35 1.47 -0.02 6.18 0.00 -0.42 -0.94 107.32 113.24 3hye s GLY 75 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3hye s GLY 75 CO -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 173.10 171.94 3hye s VAL 77 N 0.71 0.53 0.10 0.00 0.11 0.40 -0.92 120.40 121.33 3hye s VAL 77 Ca -0.06 -1.26 -0.16 0.00 -2.93 0.00 0.00 61.98 57.56 3hye s VAL 77 Cb -0.09 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3hye s VAL 77 CO -0.02 -0.50 0.39 -0.72 -3.33 0.00 0.00 175.10 170.92 3hye s TYR 78 N -1.90 -0.21 -0.04 1.54 -0.85 -1.26 -0.29 117.35 114.34 3hye s TYR 78 Ca -0.06 -0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.53 3hye s TYR 78 Cb -0.06 0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 3hye s TYR 78 CO -0.01 -0.65 -0.24 -1.12 -1.52 0.00 0.00 175.55 172.01 3hye s SER 79 N -2.56 2.87 0.00 -0.18 0.01 -0.96 -4.94 113.70 107.93 3hye s SER 79 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.81 3hye s SER 79 Cb 0.01 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.70 3hye s SER 79 CO -0.09 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.44 3hye n GLY 80 N 2.72 0.35 3.60 3.44 0.00 -1.26 -2.29 105.19 111.74 3hye n GLY 80 Ca -0.17 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3hye n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 81 N 0.00 3.76 0.17 0.99 1.43 0.40 -4.82 118.68 120.62 3hye s LEU 81 Ca 0.00 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 3hye s LEU 81 Cb 0.00 -3.46 0.14 0.00 0.03 0.00 0.00 46.19 42.90 3hye s LEU 81 CO 0.00 -1.15 1.69 0.40 0.23 0.00 0.00 176.35 177.52 3hye h ILE 82 N 6.13 0.67 -0.72 -0.59 5.03 -1.94 -2.03 117.51 124.06 3hye h ILE 82 Ca -0.23 -0.04 0.12 0.00 -0.12 0.00 0.00 64.86 64.59 3hye h ILE 82 Cb 1.06 0.55 -0.08 0.00 -3.03 0.00 0.00 36.82 35.32 3hye h ILE 82 CO 1.09 0.02 0.31 -0.65 -0.68 0.00 0.00 178.15 178.24 3hye h PRO 83 N 0.11 0.48 -0.75 2.37 0.11 -1.99 0.18 132.00 132.50 3hye h PRO 83 Ca 0.22 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.36 3hye h PRO 83 Cb 0.31 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 3hye h PRO 83 CO -0.36 0.32 0.49 -0.44 -0.21 0.00 0.00 178.00 177.80 3hye h ASP 84 N 0.49 0.70 0.15 -2.05 3.45 -1.76 -0.50 116.42 116.91 3hye h ASP 84 Ca 0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 3hye h ASP 84 Cb 0.51 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3hye h ASP 84 CO -0.34 0.46 -0.07 1.23 -1.57 0.00 0.00 179.24 178.94 3hye h GLY 85 N 0.80 -0.22 0.54 2.75 0.00 -0.39 -1.18 103.07 105.38 3hye h GLY 85 Ca 0.32 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.80 3hye h GLY 85 CO -0.11 -0.08 0.13 3.21 0.00 0.00 0.00 176.54 179.69 3hye h ARG 86 N -0.33 0.28 -0.57 4.80 3.08 -0.58 -1.03 114.38 120.04 3hye h ARG 86 Ca -0.02 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.12 3hye h ARG 86 Cb 0.26 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 3hye h ARG 86 CO 0.03 0.18 0.05 1.25 -1.07 0.00 0.00 179.97 180.42 3hye h HIS 87 N 0.28 0.06 -0.23 3.04 2.76 -0.86 0.18 115.15 120.38 3hye h HIS 87 Ca 0.21 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3hye h HIS 87 Cb 0.23 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3hye h HIS 87 CO -0.18 -0.09 -0.13 1.25 -1.30 0.00 0.00 177.93 177.48 3hye h LEU 88 N 0.17 0.37 -0.12 0.26 5.85 -0.30 -2.62 115.31 118.92 3hye h LEU 88 Ca 0.29 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 3hye h LEU 88 Cb 0.45 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.40 3hye h LEU 88 CO -0.44 0.53 -0.75 0.58 -0.34 0.00 0.00 178.44 178.02 3hye h VAL 89 N 0.36 1.30 -0.66 1.05 2.07 0.25 -1.14 116.25 119.48 3hye h VAL 89 Ca 0.07 -1.98 0.10 0.00 0.82 0.00 0.00 66.70 65.71 3hye h VAL 89 Cb 0.44 2.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 3hye h VAL 89 CO 0.03 0.62 0.29 0.78 0.02 0.00 0.00 177.57 179.30 3hye h ASN 90 N 0.42 0.33 -0.11 0.57 -0.26 -0.60 0.29 115.58 116.21 3hye h ASN 90 Ca -0.06 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 3hye h ASN 90 Cb 1.39 0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.67 3hye h ASN 90 CO 0.15 0.19 0.04 -0.09 -1.06 0.00 0.00 177.43 176.66 3hye h ARG 91 N 0.49 0.17 -0.88 0.81 9.65 -1.39 -1.99 114.38 121.24 3hye h ARG 91 Ca 0.33 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.31 3hye h ARG 91 Cb 0.39 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.88 3hye h ARG 91 CO -0.30 0.28 0.57 0.78 2.80 0.00 0.00 179.97 184.10 3hye h GLY 92 N 0.02 1.19 0.94 2.80 0.00 0.11 0.16 103.07 108.29 3hye h GLY 92 Ca 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3hye h GLY 92 CO -0.00 0.12 0.05 3.21 0.00 0.00 0.00 176.54 179.91 3hye h ARG 93 N 0.73 0.68 -0.53 4.80 3.08 -0.01 0.17 114.38 123.30 3hye h ARG 93 Ca 0.43 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 3hye h ARG 93 Cb 0.63 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3hye h ARG 93 CO -0.19 0.74 0.08 0.93 -1.07 0.00 0.00 179.97 180.46 3hye h GLU 94 N 0.53 0.88 -0.85 0.04 5.08 -0.53 0.19 114.58 119.93 3hye h GLU 94 Ca 0.12 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3hye h GLU 94 Cb 0.40 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3hye h GLU 94 CO 0.01 0.86 0.54 1.49 -1.00 0.00 0.00 179.01 180.91 3hye h GLU 95 N 0.76 1.01 -0.16 2.33 4.57 -0.50 0.42 114.58 123.02 3hye h GLU 95 Ca 0.16 -0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 58.06 3hye h GLU 95 Cb 0.41 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3hye h GLU 95 CO 0.01 0.67 -0.77 0.00 -1.18 0.00 0.00 179.01 177.74 3hye h ALA 96 N 1.36 0.33 -0.46 2.92 0.00 -0.21 -2.69 119.26 120.51 3hye h ALA 96 Ca 0.34 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3hye h ALA 96 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hye h ALA 96 CO -0.12 0.69 0.10 0.00 0.00 0.00 0.00 179.25 179.92 3hye h ALA 97 N 0.58 0.60 -0.26 0.00 0.00 -0.63 -1.78 119.26 117.76 3hye h ALA 97 Ca -0.05 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3hye h ALA 97 Cb 1.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3hye h ALA 97 CO 0.16 0.29 0.05 1.03 0.00 0.00 0.00 179.25 180.78 3hye h SER 98 N 0.61 -0.00 -0.47 0.00 0.87 -0.93 0.46 113.55 114.09 3hye h SER 98 Ca 0.14 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3hye h SER 98 Cb 0.33 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3hye h SER 98 CO 0.00 0.03 0.28 0.15 -0.53 0.00 0.00 176.83 176.76 3hye h PHE 99 N 0.14 0.63 -0.10 2.24 3.04 -1.31 -1.83 116.94 119.75 3hye h PHE 99 Ca 0.12 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3hye h PHE 99 Cb 0.13 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.43 3hye h PHE 99 CO -0.17 0.45 0.02 -0.22 -2.02 0.00 0.00 178.31 176.37 3hye h LYS 100 N 0.63 0.16 -0.80 1.11 3.64 -1.05 0.82 116.57 121.08 3hye h LYS 100 Ca 0.17 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 3hye h LYS 100 Cb 0.01 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.71 3hye h LYS 100 CO -0.03 0.35 0.33 -0.22 -2.27 0.00 0.00 179.45 177.61 3hye h LYS 101 N -0.06 0.43 0.20 1.90 3.64 -0.69 1.36 116.57 123.35 3hye h LYS 101 Ca 0.03 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.07 3hye h LYS 101 Cb 0.27 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hye h LYS 101 CO 0.00 0.28 -1.48 1.25 -2.27 0.00 0.00 179.45 177.23 3hye h LEU 102 N 0.44 0.67 -1.51 5.20 5.85 -1.21 -3.38 115.31 121.38 3hye h LEU 102 Ca 0.45 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hye h LEU 102 Cb 0.73 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hye h LEU 102 CO -0.44 1.69 -0.11 -1.22 -0.34 0.00 0.00 178.44 178.02 3hye n TYR 103 N -3.76 0.00 0.00 1.25 4.01 0.27 -5.00 117.16 113.94 3hye n TYR 103 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3hye n TYR 103 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 3hye n TYR 103 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3hye n LYS 104 N 0.74 0.00 -2.91 -0.72 3.00 0.47 -4.93 118.16 113.80 3hye n LYS 104 Ca 0.10 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.04 3hye n LYS 104 Cb 0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 35.03 35.33 3hye n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3hye s THR 105 N 0.00 4.33 0.49 3.15 -1.32 -1.26 -4.87 115.64 116.16 3hye s THR 105 Ca 0.00 1.67 -0.23 0.00 -1.21 0.00 0.00 61.69 61.92 3hye s THR 105 Cb 0.00 -4.03 -0.07 0.00 -1.51 0.00 0.00 72.50 66.90 3hye s THR 105 CO 0.00 0.27 1.36 -2.16 -2.21 0.00 0.00 174.62 171.88 3hye s PRO 106 N -1.76 3.47 0.15 7.08 0.04 -1.26 -4.22 135.00 138.50 3hye s PRO 106 Ca 0.44 2.24 -0.33 0.00 0.04 0.00 0.00 61.00 63.40 3hye s PRO 106 Cb -0.20 -2.46 -0.13 0.00 0.04 0.00 0.00 34.50 31.76 3hye s PRO 106 CO 0.24 -0.93 1.70 1.51 0.04 0.00 0.00 177.00 179.56 3hye n ILE 107 N -0.58 0.12 -2.09 0.56 3.06 -1.26 -4.97 119.36 114.20 3hye n ILE 107 Ca 0.08 -0.02 -0.37 0.00 -2.50 0.00 0.00 62.75 59.93 3hye n ILE 107 Cb 0.44 -1.81 0.01 0.00 0.54 0.00 0.00 39.64 38.82 3hye n ILE 107 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3hye s PRO 108 N 1.61 3.47 0.20 9.51 0.02 -1.26 -4.82 135.00 143.74 3hye s PRO 108 Ca 0.80 1.91 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 3hye s PRO 108 Cb -0.59 -2.29 0.20 0.00 0.02 0.00 0.00 34.50 31.83 3hye s PRO 108 CO 0.37 -0.82 1.83 0.82 -0.33 0.00 0.00 177.00 178.87 3hye h ILE 109 N 1.61 1.05 0.11 2.83 5.03 -1.92 0.16 117.51 126.37 3hye h ILE 109 Ca -0.50 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 63.97 3hye h ILE 109 Cb 1.27 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 35.27 3hye h ILE 109 CO 0.59 0.14 -0.05 -0.65 -0.68 0.00 0.00 178.15 177.50 3hye h PRO 110 N 0.77 -0.14 -0.61 2.37 0.11 -1.98 0.21 132.00 132.73 3hye h PRO 110 Ca 0.28 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.48 3hye h PRO 110 Cb 0.08 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.15 3hye h PRO 110 CO -0.13 -0.08 0.28 0.00 -0.21 0.00 0.00 178.00 177.86 3hye h ALA 111 N 0.74 0.81 -0.62 -0.75 0.00 -1.84 -1.17 119.26 116.43 3hye h ALA 111 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 111 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hye h ALA 111 CO 0.02 -0.11 0.30 0.35 0.00 0.00 0.00 179.25 179.82 3hye h PHE 112 N 0.50 0.88 -0.48 0.00 3.57 -0.26 -2.18 116.94 118.98 3hye h PHE 112 Ca 0.30 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3hye h PHE 112 Cb 0.30 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3hye h PHE 112 CO -0.13 0.66 0.20 0.00 -2.23 0.00 0.00 178.31 176.81 3hye h ALA 113 N 1.13 0.59 -0.18 2.41 0.00 0.59 -1.42 119.26 122.38 3hye h ALA 113 Ca 0.21 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hye h ALA 113 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hye h ALA 113 CO -0.03 -0.18 -0.21 0.22 0.00 0.00 0.00 179.25 179.05 3hye h ASP 114 N 0.39 0.30 -0.64 0.00 -0.00 -1.09 0.18 116.42 115.57 3hye h ASP 114 Ca 0.22 -0.08 0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3hye h ASP 114 Cb 0.19 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.41 3hye h ASP 114 CO -0.20 0.53 0.40 0.03 -0.00 0.00 0.00 179.24 180.00 3hye h ARG 115 N 0.28 0.86 -0.26 0.28 2.47 -0.64 0.16 114.38 117.53 3hye h ARG 115 Ca 0.05 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 3hye h ARG 115 Cb 0.54 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3hye h ARG 115 CO 0.04 0.59 -0.43 -0.07 0.56 0.00 0.00 179.97 180.66 3hye h LEU 116 N 0.87 0.68 0.17 3.04 3.38 -0.78 -2.84 115.31 119.83 3hye h LEU 116 Ca 0.23 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hye h LEU 116 Cb -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hye h LEU 116 CO -0.05 1.02 -0.08 1.23 0.09 0.00 0.00 178.44 180.66 3hye h GLY 117 N 1.00 -0.24 1.29 0.83 0.00 0.22 -1.19 103.07 104.98 3hye h GLY 117 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3hye h GLY 117 CO 0.09 -0.09 0.41 1.46 0.00 0.00 0.00 176.54 178.41 3hye h GLN 118 N -0.29 0.94 -0.27 4.80 1.08 -0.75 0.12 115.11 120.76 3hye h GLN 118 Ca -0.02 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 3hye h GLN 118 Cb 0.22 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3hye h GLN 118 CO 0.04 0.67 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.56 3hye h TYR 119 N 0.96 0.63 -0.41 2.96 3.20 -1.34 0.12 116.97 123.09 3hye h TYR 119 Ca 0.25 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3hye h TYR 119 Cb -0.03 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3hye h TYR 119 CO 0.00 0.79 -0.15 0.28 -1.64 0.00 0.00 178.16 177.44 3hye h VAL 120 N 0.28 1.28 -0.33 1.81 2.07 -0.88 -2.63 116.25 117.85 3hye h VAL 120 Ca 0.06 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3hye h VAL 120 Cb 0.61 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3hye h VAL 120 CO 0.04 0.43 0.08 -0.61 0.02 0.00 0.00 177.57 177.53 3hye h GLN 121 N 0.65 0.47 -0.66 1.57 -0.00 -0.69 -1.52 115.11 114.92 3hye h GLN 121 Ca 0.10 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.71 3hye h GLN 121 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 28.06 3hye h GLN 121 CO 0.05 0.43 0.44 0.00 0.00 0.00 0.00 178.83 179.75 3hye h ALA 122 N 1.63 1.62 0.00 3.38 0.00 -0.60 -1.67 119.26 123.62 3hye h ALA 122 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 122 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hye h ALA 122 CO -0.00 0.31 0.00 0.72 0.00 0.00 0.00 179.25 180.28 3hye n HIS 123 N -4.46 0.00 -0.44 0.00 8.25 -0.57 -2.22 115.22 115.78 3hye n HIS 123 Ca 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.55 3hye n HIS 123 Cb 0.12 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.19 3hye n HIS 123 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hye n THR 124 N -0.17 0.88 0.23 1.59 -2.24 -0.63 -3.73 114.28 110.21 3hye n THR 124 Ca 0.00 -0.94 0.11 0.00 -2.27 0.00 0.00 64.05 60.95 3hye n THR 124 Cb 0.14 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 3hye n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hye n LEU 125 N -0.51 0.28 -4.15 3.22 4.77 -0.94 -4.51 117.00 115.16 3hye n LEU 125 Ca 0.02 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3hye n LEU 125 Cb 0.38 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3hye n LEU 125 CO 0.00 0.04 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.40 3hye s TYR 126 N -3.39 0.88 -2.20 -1.77 2.02 -1.26 -4.78 117.35 106.85 3hye s TYR 126 Ca -0.04 -0.77 0.19 0.00 -0.37 0.00 0.00 57.07 56.08 3hye s TYR 126 Cb 0.14 -0.50 0.54 0.00 -0.40 0.00 0.00 41.96 41.74 3hye s TYR 126 CO 0.89 -0.10 1.43 0.27 -1.57 0.00 0.00 175.55 176.47 3hye n ASN 127 N 0.41 2.45 -0.06 2.29 2.04 -1.26 -3.66 115.26 117.47 3hye n ASN 127 Ca -0.15 -1.90 0.12 0.00 -0.44 0.00 0.00 54.58 52.21 3hye n ASN 127 Cb 0.59 -0.23 0.23 0.00 -2.53 0.00 0.00 39.78 37.84 3hye n ASN 127 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3hye n SER 128 N 0.83 0.70 -4.34 0.53 3.41 -1.26 -4.68 113.62 108.81 3hye n SER 128 Ca 0.17 -0.50 -0.18 0.00 -0.26 0.00 0.00 58.87 58.10 3hye n SER 128 Cb 0.42 0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 3hye n SER 128 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hye s VAL 129 N -2.88 1.34 0.06 -3.33 -7.23 -1.24 -5.16 120.40 101.95 3hye s VAL 129 Ca 0.14 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 3hye s VAL 129 Cb 0.18 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3hye s VAL 129 CO 0.68 -0.46 0.02 -0.60 -0.31 0.00 0.00 175.10 174.43 3hye s ARG 130 N -3.77 2.70 0.93 4.82 3.52 -1.26 -4.74 118.95 121.15 3hye s ARG 130 Ca 0.25 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 55.00 3hye s ARG 130 Cb 0.03 -2.63 0.15 0.00 -1.56 0.00 0.00 34.95 30.94 3hye s ARG 130 CO 0.07 0.57 1.09 -2.14 -0.81 0.00 0.00 175.30 174.09 3hye s PRO 131 N -2.09 0.99 0.13 5.12 0.02 -1.24 -4.91 135.00 133.01 3hye s PRO 131 Ca 0.25 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 61.82 3hye s PRO 131 Cb -0.12 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.56 3hye s PRO 131 CO 0.17 -2.44 1.17 -0.06 -0.33 0.00 0.00 177.00 175.51 3hye s PHE 132 N -2.87 3.48 -0.36 6.54 0.40 -1.26 -4.93 117.98 118.97 3hye s PHE 132 Ca 0.64 1.42 -0.02 0.00 -0.60 0.00 0.00 56.93 58.38 3hye s PHE 132 Cb -0.19 -3.38 0.17 0.00 0.51 0.00 0.00 43.02 40.13 3hye s PHE 132 CO 0.58 -1.06 2.24 0.41 0.70 0.00 0.00 175.22 178.09 3hye n GLY 133 N 2.57 4.20 3.30 4.36 0.00 -1.26 -4.57 105.19 113.80 3hye n GLY 133 Ca 0.06 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3hye n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 134 N -2.31 0.07 -0.07 1.61 -7.23 -1.26 -0.45 120.40 110.76 3hye s VAL 134 Ca 0.40 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 60.04 3hye s VAL 134 Cb 0.29 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 3hye s VAL 134 CO -0.06 -0.31 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.80 3hye s SER 135 N -2.29 3.71 -0.10 4.85 0.01 -0.97 -3.84 113.70 115.07 3hye s SER 135 Ca -0.02 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3hye s SER 135 Cb 0.00 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.25 3hye s SER 135 CO -0.06 0.28 -0.22 -0.89 0.41 0.00 0.00 173.24 172.76 3hye s THR 136 N -0.33 1.91 -0.20 1.44 2.01 -0.14 -2.26 115.64 118.07 3hye s THR 136 Ca 0.02 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3hye s THR 136 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3hye s THR 136 CO 0.02 0.53 0.03 -0.63 -0.69 0.00 0.00 174.62 173.88 3hye s ILE 137 N 0.47 4.26 0.25 1.82 1.01 0.60 -0.02 121.20 129.60 3hye s ILE 137 Ca -0.16 -0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 3hye s ILE 137 Cb -0.17 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 3hye s ILE 137 CO 0.06 0.42 0.52 0.72 0.00 0.00 0.00 174.94 176.66 3hye s PHE 138 N 0.94 0.27 -4.91 3.97 -0.12 -0.22 -0.45 117.98 117.45 3hye s PHE 138 Ca 0.02 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.26 3hye s PHE 138 Cb -0.14 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.52 3hye s PHE 138 CO 0.02 -1.03 0.00 0.41 -0.05 0.00 0.00 175.22 174.57 3hye n GLY 139 N -0.39 -2.39 0.00 1.99 0.00 -0.65 -0.62 105.19 103.12 3hye n GLY 139 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hye n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 140 N -0.64 -0.61 3.51 -0.02 0.00 -0.86 -1.30 105.19 105.26 3hye n GLY 140 Ca 0.00 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3hye n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 141 N -3.00 3.20 0.11 1.61 1.01 -1.24 -1.15 120.40 120.93 3hye s VAL 141 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3hye s VAL 141 Cb 0.00 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3hye s VAL 141 CO 0.00 0.46 0.13 -0.90 0.00 0.00 0.00 175.10 174.80 3hye n ASP 142 N 1.87 -0.37 -0.57 3.32 3.85 -0.12 -4.91 116.55 119.63 3hye n ASP 142 Ca -0.16 -1.60 0.43 0.00 -0.71 0.00 0.00 54.79 52.75 3hye n ASP 142 Cb 0.52 0.71 0.68 0.00 -1.35 0.00 0.00 41.12 41.68 3hye n ASP 142 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 3hye n LYS 143 N -0.18 -0.01 -3.19 0.11 4.81 -1.26 -2.38 118.16 116.07 3hye n LYS 143 Ca 0.01 0.96 -0.20 0.00 -0.87 0.00 0.00 58.31 58.21 3hye n LYS 143 Cb 0.18 -2.14 -0.05 0.00 0.02 0.00 0.00 35.03 33.04 3hye n LYS 143 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3hye n ASN 144 N -3.82 0.63 0.00 3.14 0.23 -1.26 -5.13 115.26 109.05 3hye n ASN 144 Ca 0.38 -2.90 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 3hye n ASN 144 Cb 1.65 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 38.72 3hye n ASN 144 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hye n GLY 145 N 0.70 -1.53 3.88 4.83 0.00 -1.00 -5.02 105.19 107.05 3hye n GLY 145 Ca 0.24 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 3hye n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 146 N -1.54 3.77 -0.09 4.61 0.00 -1.26 -0.94 121.76 126.31 3hye s ALA 146 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 3hye s ALA 146 Cb 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3hye s ALA 146 CO 0.00 0.47 0.24 -1.01 0.00 0.00 0.00 175.76 175.46 3hye s HIS 147 N -1.80 -0.26 0.02 0.00 4.02 -0.30 -4.99 115.29 111.97 3hye s HIS 147 Ca 0.33 0.64 0.07 0.00 1.02 0.00 0.00 55.06 57.12 3hye s HIS 147 Cb -0.10 0.09 -0.02 0.00 -1.02 0.00 0.00 32.58 31.52 3hye s HIS 147 CO 0.26 -0.13 -0.21 -1.17 1.02 0.00 0.00 174.74 174.51 3hye s LEU 148 N 0.16 2.11 0.02 0.89 2.96 -1.26 -2.04 118.68 121.53 3hye s LEU 148 Ca -0.00 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3hye s LEU 148 Cb -0.02 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.64 3hye s LEU 148 CO 0.00 0.21 0.16 -0.31 -1.32 0.00 0.00 176.35 175.09 3hye s TYR 149 N -0.67 0.07 -0.04 5.38 2.02 0.20 -0.86 117.35 123.45 3hye s TYR 149 Ca 0.08 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3hye s TYR 149 Cb -0.09 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.44 3hye s TYR 149 CO 0.01 -0.36 -0.06 1.41 -1.57 0.00 0.00 175.55 174.98 3hye s MET 150 N -2.06 0.85 -0.16 -0.62 -2.45 -1.19 -1.06 119.30 112.61 3hye s MET 150 Ca -0.09 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.19 3hye s MET 150 Cb -0.04 -0.82 0.01 0.00 1.25 0.00 0.00 34.83 35.23 3hye s MET 150 CO -0.01 -0.01 -0.20 -1.17 1.05 0.00 0.00 175.02 174.67 3hye s LEU 151 N 0.63 2.17 0.54 4.11 2.96 0.98 -3.31 118.68 126.75 3hye s LEU 151 Ca -0.09 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.19 3hye s LEU 151 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3hye s LEU 151 CO 0.00 0.05 0.82 -1.61 -1.32 0.00 0.00 176.35 174.30 3hye s GLU 152 N 0.99 2.93 0.34 1.98 0.41 0.61 -0.96 118.70 125.01 3hye s GLU 152 Ca -0.02 -0.21 0.24 0.00 -0.41 0.00 0.00 54.97 54.56 3hye s GLU 152 Cb -0.15 -2.38 1.25 0.00 -1.78 0.00 0.00 34.13 31.08 3hye s GLU 152 CO -0.06 -0.57 1.72 -1.35 -0.49 0.00 0.00 175.26 174.51 3hye h PRO 153 N 0.02 0.00 0.00 0.39 0.11 -1.81 0.02 132.00 130.73 3hye h PRO 153 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 153 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hye h PRO 153 CO 0.59 0.00 -0.05 0.66 -0.21 0.00 0.00 178.00 178.99 3hye h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.40 113.55 110.84 3hye h SER 154 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hye h SER 154 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hye h SER 154 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3hye n GLY 155 N 1.29 0.25 3.76 -0.77 0.00 -0.01 -4.37 105.19 105.34 3hye n GLY 155 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hye n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hye s SER 156 N -2.19 6.88 0.02 1.61 0.15 -1.25 -4.71 113.70 114.20 3hye s SER 156 Ca 0.00 2.58 -0.27 0.00 0.70 0.00 0.00 55.95 58.96 3hye s SER 156 Cb 0.00 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.74 3hye s SER 156 CO 0.00 -0.46 0.63 -0.72 1.20 0.00 0.00 173.24 173.89 3hye s TYR 157 N -0.99 -0.59 0.19 3.44 -0.85 -1.26 -0.28 117.35 117.00 3hye s TYR 157 Ca 0.49 0.81 -0.09 0.00 -0.52 0.00 0.00 57.07 57.77 3hye s TYR 157 Cb -0.38 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.38 3hye s TYR 157 CO 0.49 -0.68 0.30 -1.58 -1.52 0.00 0.00 175.55 172.56 3hye s TRP 158 N -2.06 0.50 0.20 -3.49 0.52 -1.21 -5.01 118.94 108.39 3hye s TRP 158 Ca -0.07 -0.84 -0.26 0.00 0.02 0.00 0.00 56.10 54.95 3hye s TRP 158 Cb -0.00 -0.08 -0.08 0.00 -1.15 0.00 0.00 33.47 32.15 3hye s TRP 158 CO 0.02 -0.76 0.82 0.20 0.02 0.00 0.00 176.95 177.25 3hye s GLY 159 N -3.00 2.92 0.20 0.98 0.00 -1.26 -3.19 107.32 103.97 3hye s GLY 159 Ca 0.21 0.41 0.08 0.00 0.00 0.00 0.00 44.72 45.43 3hye s GLY 159 CO 0.03 0.91 -0.16 -0.19 0.00 0.00 0.00 173.10 173.70 3hye s TYR 160 N -1.24 1.78 -0.09 1.90 1.51 -0.04 -4.97 117.35 116.19 3hye s TYR 160 Ca 0.39 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.83 3hye s TYR 160 Cb -0.23 -0.83 -0.28 0.00 -0.11 0.00 0.00 41.96 40.51 3hye s TYR 160 CO 0.27 0.38 0.49 0.87 -1.11 0.00 0.00 175.55 176.45 3hye h LYS 161 N 2.70 0.31 -3.19 -0.62 1.57 -1.94 -3.37 116.57 112.03 3hye h LYS 161 Ca -0.39 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 57.78 3hye h LYS 161 Cb 1.22 0.20 -0.16 0.00 0.08 0.00 0.00 32.23 33.57 3hye h LYS 161 CO 0.59 1.25 -0.16 0.20 -0.57 0.00 0.00 179.45 180.77 3hye s GLY 162 N -5.36 -0.21 0.02 3.86 0.00 -1.26 -1.60 107.32 102.77 3hye s GLY 162 Ca -0.20 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.46 3hye s GLY 162 CO 0.80 -0.11 0.44 0.00 0.00 0.00 0.00 173.10 174.23 3hye s ALA 163 N -2.70 -1.11 0.02 3.20 0.00 -0.13 -4.98 121.76 116.07 3hye s ALA 163 Ca -0.04 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 3hye s ALA 163 Cb -0.00 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.40 3hye s ALA 163 CO -0.04 -0.41 0.41 0.00 0.00 0.00 0.00 175.76 175.73 3hye s ALA 164 N -2.04 -1.03 0.13 0.00 0.00 -1.26 -0.91 121.76 116.65 3hye s ALA 164 Ca -0.08 0.41 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 3hye s ALA 164 Cb -0.02 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.40 3hye s ALA 164 CO 0.01 -0.40 0.51 -0.08 0.00 0.00 0.00 175.76 175.79 3hye s THR 165 N -2.08 0.03 0.00 0.00 -1.32 -0.76 -4.90 115.64 106.61 3hye s THR 165 Ca -0.08 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 3hye s THR 165 Cb -0.02 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3hye s THR 165 CO 0.00 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 3hye n GLY 166 N -0.18 -1.85 0.36 6.08 0.00 -1.26 -1.57 105.19 106.77 3hye n GLY 166 Ca -0.17 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.73 3hye n GLY 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hye n LYS 167 N -0.03 -0.22 -1.12 1.61 3.00 0.16 -1.72 118.16 119.83 3hye n LYS 167 Ca 0.00 1.42 -0.18 0.00 -0.00 0.00 0.00 58.31 59.55 3hye n LYS 167 Cb 0.00 -2.10 0.20 0.00 0.00 0.00 0.00 35.03 33.13 3hye n LYS 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hye n GLY 168 N -1.43 4.43 0.38 3.14 0.00 -1.26 -4.68 105.19 105.77 3hye n GLY 168 Ca 0.09 -1.10 0.15 0.00 0.00 0.00 0.00 46.02 45.16 3hye n GLY 168 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hye h ARG 169 N 1.28 0.56 0.06 1.61 0.11 -1.57 -1.97 114.38 114.47 3hye h ARG 169 Ca 0.51 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.55 3hye h ARG 169 Cb 2.58 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 33.53 3hye h ARG 169 CO 0.92 0.37 -0.03 1.96 0.10 0.00 0.00 179.97 183.30 3hye h GLN 170 N 0.58 -0.08 0.15 0.08 7.50 -1.85 0.55 115.11 122.04 3hye h GLN 170 Ca 0.47 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.64 3hye h GLN 170 Cb 0.91 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.42 3hye h GLN 170 CO -0.21 0.08 -0.32 0.77 -1.50 0.00 0.00 178.83 177.65 3hye h SER 171 N -0.23 -0.91 -0.00 1.46 0.02 -1.79 0.71 113.55 112.81 3hye h SER 171 Ca -0.01 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3hye h SER 171 Cb 0.20 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3hye h SER 171 CO 0.01 -0.41 -0.24 0.00 -1.14 0.00 0.00 176.83 175.05 3hye h ALA 172 N 0.07 -0.32 -0.86 3.77 0.00 -1.25 0.20 119.26 120.87 3hye h ALA 172 Ca 0.02 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hye h ALA 172 Cb 0.58 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3hye h ALA 172 CO -0.17 -0.74 0.48 0.87 0.00 0.00 0.00 179.25 179.70 3hye h LYS 173 N -0.37 0.73 0.12 0.00 1.57 0.35 0.33 116.57 119.30 3hye h LYS 173 Ca 0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hye h LYS 173 Cb 0.46 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hye h LYS 173 CO -0.22 0.48 -0.14 0.00 -0.57 0.00 0.00 179.45 179.00 3hye h ALA 174 N 1.51 -0.27 -0.67 3.86 0.00 0.18 0.27 119.26 124.15 3hye h ALA 174 Ca 0.44 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3hye h ALA 174 Cb 0.51 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3hye h ALA 174 CO -0.30 -0.67 0.44 0.93 0.00 0.00 0.00 179.25 179.65 3hye h GLU 175 N -0.30 0.88 -0.86 0.00 4.39 0.10 -2.47 114.58 116.32 3hye h GLU 175 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3hye h GLU 175 Cb 0.30 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3hye h GLU 175 CO -0.05 0.58 0.54 -0.07 -1.16 0.00 0.00 179.01 178.85 3hye h LEU 176 N 0.90 1.02 -1.46 1.33 -0.00 -0.01 -2.06 115.31 115.03 3hye h LEU 176 Ca 0.25 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 3hye h LEU 176 Cb -0.10 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.29 3hye h LEU 176 CO -0.05 0.76 -0.00 -0.33 -0.00 0.00 0.00 178.44 178.82 3hye h GLU 177 N 1.18 0.35 0.40 1.13 5.08 -0.51 -1.32 114.58 120.88 3hye h GLU 177 Ca 0.31 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hye h GLU 177 Cb -0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hye h GLU 177 CO -0.06 0.38 -0.19 0.87 -1.00 0.00 0.00 179.01 179.00 3hye h LYS 178 N 0.34 -0.52 -0.47 2.33 1.57 -1.00 -2.42 116.57 116.41 3hye h LYS 178 Ca 0.08 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3hye h LYS 178 Cb 0.23 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 3hye h LYS 178 CO 0.01 -0.25 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.45 3hye h LEU 179 N -0.72 -0.44 -0.75 2.94 3.38 -1.13 -1.00 115.31 117.59 3hye h LEU 179 Ca -0.05 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.19 3hye h LEU 179 Cb 0.51 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 3hye h LEU 179 CO 0.09 -0.15 0.31 0.58 0.09 0.00 0.00 178.44 179.36 3hye h VAL 180 N 0.00 0.69 0.00 1.22 2.07 -1.12 -1.29 116.25 117.82 3hye h VAL 180 Ca 0.23 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hye h VAL 180 Cb 0.34 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hye h VAL 180 CO -0.48 0.09 0.00 0.47 0.02 0.00 0.00 177.57 177.66 3hye n ASP 18 N -4.97 1.24 0.00 0.57 8.00 -0.38 -3.82 116.55 117.18 3hye n ASP 18 Ca 0.14 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3hye n ASP 18 Cb 0.39 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3hye n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hye n HIS 18 N 0.59 0.00 0.30 1.24 8.25 -0.49 -5.01 115.22 120.10 3hye n HIS 18 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 3hye n HIS 18 Cb 0.22 0.00 0.80 0.00 1.12 0.00 0.00 29.99 32.13 3hye n HIS 18 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hye h PRO 18 N 0.00 0.00 0.00 -0.41 0.13 -1.84 -1.91 132.00 127.98 3hye h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hye h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hye h PRO 18 CO 0.00 0.00 -0.45 1.05 -0.23 0.00 0.00 178.00 178.37 3hye h GLU 18 N 0.00 0.00 0.00 0.86 -0.00 -1.95 -3.50 114.58 109.99 3hye h GLU 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3hye h GLU 18 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 3hye h GLU 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 3hye n GLY 18 N 1.30 2.46 3.89 1.06 0.00 -0.72 -4.96 105.19 108.21 3hye n GLY 18 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 3hye n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hye s LEU 184 N 0.00 2.97 0.23 0.99 2.96 -1.26 -4.77 118.68 119.80 3hye s LEU 184 Ca 0.00 1.12 0.06 0.00 -0.22 0.00 0.00 54.13 55.08 3hye s LEU 184 Cb 0.00 -3.94 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 3hye s LEU 184 CO 0.00 -1.27 0.28 -0.94 -1.32 0.00 0.00 176.35 173.11 3hye s SER 185 N -4.34 5.98 0.18 3.68 1.04 -1.26 -0.25 113.70 118.74 3hye s SER 185 Ca 0.57 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 3hye s SER 185 Cb -0.11 -1.67 0.14 0.00 0.10 0.00 0.00 66.02 64.48 3hye s SER 185 CO 0.51 -0.04 1.73 0.00 0.98 0.00 0.00 173.24 176.42 3hye h ALA 186 N 1.41 0.51 -0.40 5.32 0.00 -1.96 0.26 119.26 124.41 3hye h ALA 186 Ca -0.50 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.55 3hye h ALA 186 Cb 1.23 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3hye h ALA 186 CO 0.61 -0.29 0.09 0.00 0.00 0.00 0.00 179.25 179.66 3hye h ARG 187 N 0.25 0.22 -0.12 0.00 -0.00 -2.01 -1.64 114.38 111.09 3hye h ARG 187 Ca 0.22 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.66 3hye h ARG 187 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.18 3hye h ARG 187 CO -0.27 0.14 -0.02 0.93 0.00 0.00 0.00 179.97 180.76 3hye h GLU 188 N 0.22 0.22 -0.95 0.04 4.39 -1.76 -3.11 114.58 113.63 3hye h GLU 188 Ca 0.19 -0.08 0.16 0.00 0.34 0.00 0.00 59.36 59.97 3hye h GLU 188 Cb 0.22 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 3hye h GLU 188 CO -0.24 0.50 0.60 0.00 -1.16 0.00 0.00 179.01 178.72 3hye h ALA 189 N 0.71 1.77 -0.56 3.43 0.00 -0.27 0.29 119.26 124.63 3hye h ALA 189 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hye h ALA 189 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hye h ALA 189 CO 0.01 -0.06 0.37 0.28 0.00 0.00 0.00 179.25 179.85 3hye h VAL 190 N 0.74 1.14 0.16 0.00 2.07 -1.23 0.44 116.25 119.57 3hye h VAL 190 Ca 0.50 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 3hye h VAL 190 Cb 0.79 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hye h VAL 190 CO -0.27 0.14 -0.08 0.11 0.02 0.00 0.00 177.57 177.49 3hye h LYS 191 N 0.76 -0.21 -0.80 1.57 1.57 -1.08 -2.01 116.57 116.36 3hye h LYS 191 Ca 0.21 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.17 3hye h LYS 191 Cb -0.08 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.17 3hye h LYS 191 CO -0.05 0.19 0.32 0.37 -0.57 0.00 0.00 179.45 179.72 3hye h GLN 192 N -0.70 0.42 -0.41 3.15 5.75 -0.35 0.23 115.11 123.20 3hye h GLN 192 Ca -0.02 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3hye h GLN 192 Cb 0.50 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 3hye h GLN 192 CO 0.04 0.28 0.22 0.00 -2.65 0.00 0.00 178.83 176.72 3hye h ALA 193 N 1.60 0.53 -0.50 3.38 0.00 -0.06 -0.93 119.26 123.28 3hye h ALA 193 Ca 0.46 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3hye h ALA 193 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hye h ALA 193 CO -0.44 0.06 0.33 0.00 0.00 0.00 0.00 179.25 179.20 3hye h ALA 194 N 1.07 1.65 0.48 0.00 0.00 -0.23 -2.16 119.26 120.07 3hye h ALA 194 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 194 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hye h ALA 194 CO -0.02 0.32 -0.23 -0.22 0.00 0.00 0.00 179.25 179.10 3hye h LYS 195 N 0.67 -0.62 -0.98 0.00 3.64 -0.67 -2.63 116.57 115.98 3hye h LYS 195 Ca 0.18 0.04 0.34 0.00 -1.27 0.00 0.00 60.65 59.94 3hye h LYS 195 Cb -0.07 0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 31.73 3hye h LYS 195 CO -0.04 -0.42 0.43 0.82 -2.27 0.00 0.00 179.45 177.97 3hye h ILE 196 N -1.03 0.15 -0.38 2.00 2.04 -1.02 0.53 117.51 119.81 3hye h ILE 196 Ca -0.07 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3hye h ILE 196 Cb 0.50 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3hye h ILE 196 CO 0.11 0.03 -0.08 0.40 0.00 0.00 0.00 178.15 178.61 3hye h ILE 197 N 0.14 1.27 -0.22 -0.67 2.04 -1.41 0.03 117.51 118.69 3hye h ILE 197 Ca 0.73 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3hye h ILE 197 Cb 1.73 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 3hye h ILE 197 CO -0.72 0.38 0.15 1.88 0.00 0.00 0.00 178.15 179.84 3hye h TYR 198 N 0.52 0.28 0.73 1.37 -1.99 0.37 -1.37 116.97 116.88 3hye h TYR 198 Ca 0.10 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 3hye h TYR 198 Cb 0.58 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3hye h TYR 198 CO 0.05 0.18 -0.49 -0.07 -0.00 0.00 0.00 178.16 177.83 3hye h LEU 199 N 0.30 -1.26 0.00 3.88 4.07 -0.99 -1.58 115.31 119.73 3hye h LEU 199 Ca 0.08 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3hye h LEU 199 Cb -0.03 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.08 3hye h LEU 199 CO -0.02 -0.73 0.06 0.00 -1.08 0.00 0.00 178.44 176.67 3hye n ALA 201 N -2.74 0.90 1.01 1.53 0.00 -0.01 -1.11 120.51 120.09 3hye n ALA 201 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 3hye n ALA 201 Cb 0.49 -0.88 0.58 0.00 0.00 0.00 0.00 19.45 19.64 3hye n ALA 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hye n HIS 202 N -1.41 0.00 0.22 0.00 -0.00 -0.53 -3.35 115.22 110.14 3hye n HIS 202 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 3hye n HIS 202 Cb 0.06 -0.39 0.48 0.00 -0.00 0.00 0.00 29.99 30.14 3hye n HIS 202 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3hye h GLU 203 N 0.00 0.00 -0.68 1.57 3.07 -1.24 0.35 114.58 117.66 3hye h GLU 203 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hye h GLU 203 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3hye h GLU 203 CO 0.00 0.22 0.00 -0.25 -1.40 0.00 0.00 179.01 177.58 3hye n ASP 204 N -4.24 0.68 -0.37 1.42 9.92 -1.21 -2.30 116.55 120.45 3hye n ASP 204 Ca -0.02 -1.72 -0.00 0.00 -0.53 0.00 0.00 54.79 52.52 3hye n ASP 204 Cb 0.28 -0.34 -0.00 0.00 -0.64 0.00 0.00 41.12 40.42 3hye n ASP 204 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3hye n ASN 205 N -0.05 -0.03 0.00 -2.24 4.05 -0.68 -4.88 115.26 111.42 3hye n ASN 205 Ca 0.00 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.31 3hye n ASN 205 Cb 0.17 0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.19 3hye n ASN 205 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 3hye n LYS 206 N 0.00 0.00 -0.10 1.20 2.85 0.03 -2.12 118.16 120.02 3hye n LYS 206 Ca -0.01 0.24 -0.14 0.00 -1.05 0.00 0.00 58.31 57.35 3hye n LYS 206 Cb 0.35 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 3hye n LYS 206 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 3hye h GLU 20 N 0.00 0.92 -6.03 -1.58 4.11 -1.86 -3.45 114.58 106.69 3hye h GLU 20 Ca 0.00 -0.53 -0.64 0.00 0.07 0.00 0.00 59.36 58.26 3hye h GLU 20 Cb 0.41 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 3hye h GLU 20 CO 0.00 1.17 -0.56 0.15 0.07 0.00 0.00 179.01 179.84 3hye s LYS 20 N -4.27 3.12 0.56 1.06 1.02 -0.90 -5.10 119.74 115.23 3hye s LYS 20 Ca -0.11 -0.54 -0.15 0.00 0.02 0.00 0.00 55.97 55.20 3hye s LYS 20 Cb 0.11 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 3hye s LYS 20 CO 0.89 0.61 1.01 0.34 -0.92 0.00 0.00 175.35 177.28 3hye s ASP 207 N -2.20 6.31 0.27 2.83 3.68 -1.26 -4.88 116.67 121.41 3hye s ASP 207 Ca 0.29 1.58 0.02 0.00 2.13 0.00 0.00 52.55 56.57 3hye s ASP 207 Cb -0.12 -2.50 -0.04 0.00 -1.45 0.00 0.00 42.92 38.81 3hye s ASP 207 CO 0.21 -0.81 0.17 0.72 0.13 0.00 0.00 175.17 175.58 3hye s PHE 208 N -2.76 1.46 -0.06 -5.34 -0.12 -1.26 0.22 117.98 110.13 3hye s PHE 208 Ca 0.59 -1.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.09 3hye s PHE 208 Cb -0.11 -0.73 0.00 0.00 -0.63 0.00 0.00 43.02 41.55 3hye s PHE 208 CO 0.39 -0.61 -0.18 -2.00 -0.05 0.00 0.00 175.22 172.77 3hye s GLU 209 N -3.89 2.05 0.13 1.99 2.12 0.11 -4.82 118.70 116.39 3hye s GLU 209 Ca 0.38 -0.64 -0.15 0.00 0.36 0.00 0.00 54.97 54.92 3hye s GLU 209 Cb 0.05 -1.70 -0.07 0.00 0.26 0.00 0.00 34.13 32.67 3hye s GLU 209 CO 0.17 0.20 0.55 -1.17 -0.54 0.00 0.00 175.26 174.47 3hye s LEU 210 N 0.20 4.36 -0.03 2.70 2.96 -1.26 -0.87 118.68 126.75 3hye s LEU 210 Ca -0.09 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 3hye s LEU 210 Cb -0.14 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.38 3hye s LEU 210 CO 0.04 0.13 0.02 -0.70 -1.32 0.00 0.00 176.35 174.52 3hye s GLU 211 N -1.83 0.09 0.06 1.98 2.12 -1.11 -4.98 118.70 115.03 3hye s GLU 211 Ca 0.36 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.88 3hye s GLU 211 Cb -0.16 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 3hye s GLU 211 CO 0.19 -0.17 -0.09 0.42 -0.54 0.00 0.00 175.26 175.07 3hye s ILE 212 N 1.13 0.71 0.10 -3.70 1.01 -1.26 -1.26 121.20 117.92 3hye s ILE 212 Ca -0.08 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.14 3hye s ILE 212 Cb -0.13 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3hye s ILE 212 CO -0.03 -0.45 0.28 -0.94 0.00 0.00 0.00 174.94 173.81 3hye s SER 213 N -1.92 -0.04 0.20 3.58 1.04 0.98 -1.43 113.70 116.13 3hye s SER 213 Ca -0.04 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.76 3hye s SER 213 Cb -0.07 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3hye s SER 213 CO -0.00 -0.76 0.51 -1.66 0.98 0.00 0.00 173.24 172.31 3hye s TRP 214 N -3.67 -0.02 -0.28 5.02 1.48 -0.28 0.14 118.94 121.33 3hye s TRP 214 Ca 0.03 -0.34 -0.01 0.00 -1.06 0.00 0.00 56.10 54.72 3hye s TRP 214 Cb 0.03 0.35 0.13 0.00 -1.16 0.00 0.00 33.47 32.81 3hye s TRP 214 CO -0.10 -0.93 0.27 0.00 -4.06 0.00 0.00 176.95 172.12 3hye s SER 216 N 2.33 2.40 0.40 0.00 0.15 -1.26 -1.31 113.70 116.40 3hye s SER 216 Ca 0.09 -0.40 0.10 0.00 0.70 0.00 0.00 55.95 56.45 3hye s SER 216 Cb -0.14 -0.72 0.90 0.00 -1.71 0.00 0.00 66.02 64.35 3hye s SER 216 CO -0.30 0.17 1.95 0.25 1.20 0.00 0.00 173.24 176.51 3hye h LEU 217 N 6.28 0.52 0.02 3.45 5.85 -1.38 0.72 115.31 130.76 3hye h LEU 217 Ca -0.31 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.06 3hye h LEU 217 Cb 1.18 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3hye h LEU 217 CO 0.48 0.31 -2.23 -1.54 -0.34 0.00 0.00 178.44 175.11 3hye n SER 218 N -4.49 1.06 0.04 1.25 3.41 -1.26 -3.34 113.62 110.29 3hye n SER 218 Ca 0.12 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 3hye n SER 218 Cb 0.36 0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 3hye n SER 218 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hye h GLU 21 N 0.01 0.11 0.00 4.33 4.39 -1.90 -3.39 114.58 118.13 3hye h GLU 21 Ca -0.49 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.01 3hye h GLU 21 Cb 2.07 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.79 3hye h GLU 21 CO 0.01 0.94 0.00 0.25 -1.16 0.00 0.00 179.01 179.05 3hye n THR 21 N -3.33 0.25 -1.13 1.13 -2.24 0.13 -4.94 114.28 104.15 3hye n THR 21 Ca -0.11 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 3hye n THR 21 Cb 1.01 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 70.29 3hye n THR 21 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hye n ASN 21 N -0.12 -3.62 0.00 3.42 4.13 -0.50 -2.69 115.26 115.87 3hye n ASN 21 Ca 0.00 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.37 3hye n ASN 21 Cb 0.16 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.89 3hye n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hye n GLY 219 N -2.34 0.57 3.68 7.41 0.00 -0.58 -4.87 105.19 109.06 3hye n GLY 219 Ca -0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3hye n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 220 N 0.00 3.47 -0.09 0.99 1.43 -1.10 -4.59 118.68 118.79 3hye s LEU 220 Ca 0.00 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 3hye s LEU 220 Cb 0.00 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3hye s LEU 220 CO 0.00 0.20 0.94 -2.28 0.23 0.00 0.00 176.35 175.45 3hye s HIS 221 N -1.25 3.54 0.04 0.29 5.65 -0.64 -4.40 115.29 118.51 3hye s HIS 221 Ca 0.24 1.53 0.01 0.00 0.25 0.00 0.00 55.06 57.09 3hye s HIS 221 Cb -0.12 -3.11 -0.02 0.00 -1.18 0.00 0.00 32.58 28.15 3hye s HIS 221 CO 0.16 -0.15 -0.05 0.15 -0.65 0.00 0.00 174.74 174.20 3hye s LYS 222 N 1.69 0.45 0.19 2.88 1.02 -0.39 -4.96 119.74 120.61 3hye s LYS 222 Ca 0.47 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 3hye s LYS 222 Cb -0.19 -0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 36.96 3hye s LYS 222 CO 0.19 -0.01 0.75 -0.06 -0.92 0.00 0.00 175.35 175.30 3hye s PHE 223 N -1.67 3.79 -0.20 3.18 0.40 -1.26 -1.13 117.98 121.09 3hye s PHE 223 Ca -0.10 1.52 -0.29 0.00 -0.60 0.00 0.00 56.93 57.45 3hye s PHE 223 Cb -0.08 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.76 3hye s PHE 223 CO -0.01 0.44 1.02 0.08 0.70 0.00 0.00 175.22 177.45 3hye s VAL 224 N -1.30 4.71 0.37 -0.44 1.01 -0.51 -4.93 120.40 119.30 3hye s VAL 224 Ca 0.38 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.41 3hye s VAL 224 Cb -0.20 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3hye s VAL 224 CO 0.23 -0.13 0.12 -0.54 0.00 0.00 0.00 175.10 174.78 3hye s LYS 225 N 2.92 1.81 0.09 2.72 1.02 -1.26 -4.69 119.74 122.36 3hye s LYS 225 Ca 0.44 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3hye s LYS 225 Cb -0.16 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 3hye s LYS 225 CO 0.09 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 3hye n GLY 226 N -0.81 2.41 0.27 -3.33 0.00 -1.26 -2.74 105.19 99.73 3hye n GLY 226 Ca -0.04 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3hye n GLY 226 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hye h ASP 227 N 0.00 -0.76 -0.60 1.61 3.45 -1.99 -0.76 116.42 117.38 3hye h ASP 227 Ca 0.00 0.14 0.04 0.00 0.43 0.00 0.00 57.03 57.64 3hye h ASP 227 Cb 0.00 0.36 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 3hye h ASP 227 CO 0.00 -0.27 0.40 0.25 -1.57 0.00 0.00 179.24 178.05 3hye h LEU 228 N -0.24 0.57 0.30 1.55 5.85 -1.95 0.53 115.31 121.91 3hye h LEU 228 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hye h LEU 228 Cb 0.45 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hye h LEU 228 CO -0.39 0.38 -0.14 0.25 -0.34 0.00 0.00 178.44 178.20 3hye h LEU 229 N 0.65 -0.34 -0.64 2.25 5.85 -1.17 -2.85 115.31 119.08 3hye h LEU 229 Ca 0.25 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3hye h LEU 229 Cb 0.16 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3hye h LEU 229 CO -0.07 0.10 0.30 -0.61 -0.34 0.00 0.00 178.44 177.82 3hye h GLN 230 N -0.87 0.52 -0.92 1.25 5.75 -0.87 0.53 115.11 120.50 3hye h GLN 230 Ca -0.04 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 3hye h GLN 230 Cb 0.52 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 3hye h GLN 230 CO 0.07 0.34 0.59 1.49 -2.65 0.00 0.00 178.83 178.67 3hye h GLU 231 N 0.53 0.77 0.02 1.69 4.81 -0.95 0.52 114.58 121.97 3hye h GLU 231 Ca 0.31 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 3hye h GLU 231 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hye h GLU 231 CO -0.25 0.51 -0.95 0.00 -0.73 0.00 0.00 179.01 177.59 3hye h ALA 232 N 1.58 0.40 0.05 2.92 0.00 -0.85 -2.18 119.26 121.19 3hye h ALA 232 Ca 0.46 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hye h ALA 232 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hye h ALA 232 CO -0.22 0.90 -0.03 0.82 0.00 0.00 0.00 179.25 180.72 3hye h ILE 233 N 0.14 0.95 0.33 0.00 1.08 0.52 -2.30 117.51 118.23 3hye h ILE 233 Ca -0.07 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3hye h ILE 233 Cb 1.60 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 3hye h ILE 233 CO 0.15 0.00 -0.24 0.44 -0.69 0.00 0.00 178.15 177.81 3hye h ASP 234 N -0.07 -0.62 -1.22 1.72 3.32 -0.98 0.16 116.42 118.73 3hye h ASP 234 Ca -0.01 0.05 0.36 0.00 0.02 0.00 0.00 57.03 57.45 3hye h ASP 234 Cb 0.06 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 3hye h ASP 234 CO 0.01 -0.37 0.82 0.15 -1.72 0.00 0.00 179.24 178.13 3hye h PHE 235 N -0.57 0.42 0.01 4.55 3.57 -1.26 0.38 116.94 124.03 3hye h PHE 235 Ca -0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hye h PHE 235 Cb 0.49 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3hye h PHE 235 CO -0.12 -0.04 -0.00 0.00 -2.23 0.00 0.00 178.31 175.92 3hye h ALA 236 N 1.52 -0.01 -1.00 2.41 0.00 -0.77 -2.99 119.26 118.42 3hye h ALA 236 Ca 0.68 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.68 3hye h ALA 236 Cb 2.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.91 3hye h ALA 236 CO -0.25 -0.01 0.73 1.96 0.00 0.00 0.00 179.25 181.69 3hye h GLN 237 N -1.00 0.00 0.01 0.00 1.08 0.82 0.13 115.11 116.14 3hye h GLN 237 Ca -0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 3hye h GLN 237 Cb 0.39 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3hye h GLN 237 CO 0.00 0.00 -0.51 -0.22 -0.95 0.00 0.00 178.83 177.15 3hye h LYS 238 N 0.00 0.32 -0.12 1.46 3.64 -0.42 -3.29 116.57 118.16 3hye h LYS 238 Ca 0.48 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hye h LYS 238 Cb 1.94 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 3hye h LYS 238 CO -0.01 1.06 0.00 0.39 -2.27 0.00 0.00 179.45 178.63 3hye n GLU 239 N -4.30 1.35 0.00 1.90 1.02 -0.09 -3.11 120.64 117.41 3hye n GLU 239 Ca -0.10 -0.54 0.13 0.00 -0.02 0.00 0.00 57.16 56.63 3hye n GLU 239 Cb 0.64 -1.24 0.40 0.00 -0.02 0.00 0.00 31.44 31.21 3hye n GLU 239 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3hye n ILE 240 N -0.16 0.00 -0.53 -3.67 0.13 -0.46 -5.06 119.36 109.59 3hye n ILE 240 Ca 0.11 -0.21 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 3hye n ILE 240 Cb 0.16 0.57 0.00 0.00 -0.84 0.00 0.00 39.64 39.53 3hye n ILE 240 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94