#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 -0.42 2.61 -2.24 -1.26 -4.91 114.28 108.06 3hye n THR 6 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3hye n THR 6 Cb 0.00 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.19 0.75 0.18 3.38 0.00 -1.26 -4.94 105.19 103.49 3hye n GLY 7 Ca 0.01 0.00 0.13 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 -2.74 116.97 113.26 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 -2.45 3.97 0.00 3.88 5.75 -1.26 -4.37 116.55 122.07 3hye n ASP 9 Ca 0.01 -2.13 -0.00 0.00 -0.01 0.00 0.00 54.79 52.66 3hye n ASP 9 Cb 0.20 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.68 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 1.40 0.56 -4.39 -2.12 4.77 -1.03 -4.59 117.00 111.60 3hye n LEU 10 Ca 0.24 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 3hye n LEU 10 Cb 0.67 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 3hye n LEU 10 CO 0.18 0.19 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.36 3hye s SER 11 N -5.53 3.50 0.10 -1.43 0.15 -1.26 -5.08 113.70 104.15 3hye s SER 11 Ca -0.05 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 3hye s SER 11 Cb 0.09 -0.56 -0.10 0.00 -1.71 0.00 0.00 66.02 63.73 3hye s SER 11 CO 0.83 0.33 1.69 -1.13 1.20 0.00 0.00 173.24 176.15 3hye h ASN 12 N 5.35 -0.34 -0.30 5.45 -1.24 -1.83 -3.23 115.58 119.44 3hye h ASN 12 Ca -0.45 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.60 3hye h ASN 12 Cb 1.14 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.32 3hye h ASN 12 CO 0.48 -0.18 0.00 -1.54 -1.29 0.00 0.00 177.43 174.90 3hye n SER 13 N -5.25 2.42 -4.71 1.15 3.41 -1.25 -4.68 113.62 104.71 3hye n SER 13 Ca -0.07 -2.19 -0.42 0.00 -0.26 0.00 0.00 58.87 55.93 3hye n SER 13 Cb 0.17 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.67 4.89 0.05 -3.33 1.01 -1.22 -4.95 120.40 115.19 3hye s VAL 14 Ca 0.23 1.98 -0.27 0.00 0.00 0.00 0.00 61.98 63.92 3hye s VAL 14 Cb 0.15 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3hye s VAL 14 CO 0.12 0.17 0.85 -0.36 0.00 0.00 0.00 175.10 175.87 3hye s PHE 15 N 0.99 3.73 0.65 5.22 0.08 -1.26 -4.45 117.98 122.94 3hye s PHE 15 Ca 0.50 1.58 -0.07 0.00 0.12 0.00 0.00 56.93 59.06 3hye s PHE 15 Cb -0.21 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.35 3hye s PHE 15 CO 0.27 0.20 0.97 -1.54 -0.10 0.00 0.00 175.22 175.01 3hye s SER 16 N 0.18 5.27 0.55 1.36 1.04 -0.02 -4.89 113.70 117.20 3hye s SER 16 Ca 0.43 0.67 0.28 0.00 0.48 0.00 0.00 55.95 57.80 3hye s SER 16 Cb -0.21 -1.51 1.46 0.00 0.10 0.00 0.00 66.02 65.86 3hye s SER 16 CO 0.25 -1.31 1.96 -0.65 0.98 0.00 0.00 173.24 174.47 3hye h PRO 17 N -0.40 0.00 -0.33 4.02 0.11 -1.97 0.34 132.00 133.77 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 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 -4.14 1.89 -0.06 -2.05 3.85 -1.26 -4.92 116.55 109.86 3hye n ASP 18 Ca 0.11 -1.95 -0.01 0.00 -0.71 0.00 0.00 54.79 52.23 3hye n ASP 18 Cb 0.68 -0.22 -0.00 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 1.09 0.43 3.88 6.12 0.00 0.12 -5.06 105.19 111.77 3hye n GLY 19 Ca 0.13 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.22 2.91 -0.64 1.61 0.52 -1.25 -4.76 118.95 115.12 3hye s ARG 20 Ca 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3hye s ARG 20 Cb 0.00 -2.60 0.16 0.00 0.52 0.00 0.00 34.95 33.03 3hye s ARG 20 CO 0.00 0.21 0.44 1.21 0.02 0.00 0.00 175.30 177.18 3hye s ASN 21 N -3.98 5.02 0.36 0.23 3.84 -1.26 -0.84 114.94 118.31 3hye s ASN 21 Ca 0.39 -3.13 0.14 0.00 0.21 0.00 0.00 52.86 50.46 3hye s ASN 21 Cb -0.07 -1.78 0.99 0.00 -0.55 0.00 0.00 41.25 39.84 3hye s ASN 21 CO 0.27 -0.27 1.76 -0.26 -2.79 0.00 0.00 177.10 175.81 3hye h PHE 22 N 6.55 0.82 -0.58 0.43 0.04 -1.83 -0.60 116.94 121.77 3hye h PHE 22 Ca 0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3hye h PHE 22 Cb 0.89 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 3hye h PHE 22 CO 0.66 0.09 0.28 1.96 -0.60 0.00 0.00 178.31 180.69 3hye h GLN 23 N 0.50 0.82 -0.62 1.51 1.08 -1.83 0.82 115.11 117.39 3hye h GLN 23 Ca 0.60 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.61 3hye h GLN 23 Cb 1.33 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 3hye h GLN 23 CO -0.36 0.63 0.03 0.28 -0.95 0.00 0.00 178.83 178.47 3hye h VAL 24 N 0.82 1.26 -0.37 -0.54 2.07 -1.41 -0.87 116.25 117.21 3hye h VAL 24 Ca 0.20 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3hye h VAL 24 Cb 0.09 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hye h VAL 24 CO -0.03 0.41 -0.09 -0.33 0.02 0.00 0.00 177.57 177.55 3hye h GLU 25 N 0.98 0.63 -0.02 1.57 5.08 -1.02 -1.80 114.58 120.01 3hye h GLU 25 Ca 0.18 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3hye h GLU 25 Cb 0.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3hye h GLU 25 CO 0.02 0.72 -0.56 1.88 -1.00 0.00 0.00 179.01 180.07 3hye h TYR 26 N 0.58 0.08 -0.59 4.33 -1.99 -0.51 -2.47 116.97 116.41 3hye h TYR 26 Ca 0.11 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3hye h TYR 26 Cb 0.51 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.19 3hye h TYR 26 CO 0.02 0.61 0.25 0.00 -0.00 0.00 0.00 178.16 179.04 3hye h ALA 27 N 1.39 0.76 -0.95 3.88 0.00 -0.40 -1.97 119.26 121.96 3hye h ALA 27 Ca -0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3hye h ALA 27 Cb 1.00 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3hye h ALA 27 CO 0.08 0.36 0.61 0.28 0.00 0.00 0.00 179.25 180.57 3hye h VAL 28 N 0.81 0.91 -0.84 0.00 2.07 -0.89 0.53 116.25 118.83 3hye h VAL 28 Ca 0.20 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3hye h VAL 28 Cb 0.17 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 3hye h VAL 28 CO -0.02 0.16 0.55 0.11 0.02 0.00 0.00 177.57 178.40 3hye h LYS 29 N 0.90 1.05 -0.31 1.57 1.79 -1.14 0.47 116.57 120.90 3hye h LYS 29 Ca 0.47 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.82 3hye h LYS 29 Cb 0.53 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 3hye h LYS 29 CO -0.23 0.69 -0.04 0.00 -1.08 0.00 0.00 179.45 178.80 3hye h ALA 30 N 1.50 1.37 -0.22 3.86 0.00 -0.74 -1.97 119.26 123.06 3hye h ALA 30 Ca 0.32 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 30 Cb -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hye h ALA 30 CO -0.09 0.43 -0.20 0.28 0.00 0.00 0.00 179.25 179.67 3hye h VAL 31 N 0.46 1.32 0.00 0.00 2.07 -0.50 -3.02 116.25 116.59 3hye h VAL 31 Ca 0.10 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 3hye h VAL 31 Cb 0.36 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3hye h VAL 31 CO 0.01 0.42 -0.17 -0.33 0.02 0.00 0.00 177.57 177.53 3hye h GLU 32 N 0.22 0.00 -0.00 1.57 5.08 -0.80 -1.36 114.58 119.28 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 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3hye h GLU 32 CO 0.05 0.17 -0.01 -1.71 -1.00 0.00 0.00 179.01 176.51 3hye n ASN 33 N -3.76 0.18 -4.99 1.42 2.85 -0.76 -2.72 115.26 107.48 3hye n ASN 33 Ca -0.02 -0.82 -0.19 0.00 -0.11 0.00 0.00 54.58 53.44 3hye n ASN 33 Cb 0.27 -0.07 0.02 0.00 1.24 0.00 0.00 39.78 41.25 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 0.70 8.20 0.00 -0.51 -4.84 107.32 110.58 3hye s GLY 34 Ca 0.41 -1.49 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 3hye s GLY 34 CO 0.40 -1.25 0.53 2.41 0.00 0.00 0.00 173.10 175.18 3hye n THR 35 N -2.11 1.85 -3.28 0.90 -1.04 -1.26 0.13 114.28 109.48 3hye n THR 35 Ca 0.08 -0.41 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 3hye n THR 35 Cb 0.59 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.31 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 -1.88 4.75 0.04 12.58 -1.32 -1.26 -4.13 115.64 124.42 3hye s THR 36 Ca 0.66 1.15 -0.04 0.00 -1.21 0.00 0.00 61.69 62.25 3hye s THR 36 Cb -0.36 -3.87 -0.02 0.00 -1.51 0.00 0.00 72.50 66.74 3hye s THR 36 CO 0.57 0.47 0.06 -0.94 -2.21 0.00 0.00 174.62 172.58 3hye s SER 37 N -1.26 0.25 0.31 8.08 1.04 -0.60 -1.35 113.70 120.17 3hye s SER 37 Ca 0.32 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 3hye s SER 37 Cb -0.18 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3hye s SER 37 CO 0.19 -0.53 0.39 0.27 0.98 0.00 0.00 173.24 174.54 3hye s ILE 38 N -2.92 0.00 -0.12 -1.02 -4.36 0.36 -1.81 121.20 111.33 3hye s ILE 38 Ca -0.02 -1.71 -0.11 0.00 -0.26 0.00 0.00 60.65 58.55 3hye s ILE 38 Cb 0.01 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.21 3hye s ILE 38 CO -0.06 0.00 0.32 -0.83 0.24 0.00 0.00 174.94 174.61 3hye s GLY 39 N -3.22 -0.24 -0.08 6.27 0.00 -0.11 -2.17 107.32 107.77 3hye s GLY 39 Ca 0.33 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3hye s GLY 39 CO 0.19 0.76 -0.07 -0.42 0.00 0.00 0.00 173.10 173.56 3hye s ILE 40 N 0.12 0.83 -0.17 0.90 1.01 0.25 -1.05 121.20 123.09 3hye s ILE 40 Ca -0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.21 3hye s ILE 40 Cb -0.02 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3hye s ILE 40 CO 0.01 0.32 0.62 -0.75 0.00 0.00 0.00 174.94 175.14 3hye s LYS 41 N 1.35 4.25 0.55 2.79 2.20 -0.64 -0.50 119.74 129.74 3hye s LYS 41 Ca -0.03 0.63 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 3hye s LYS 41 Cb -0.14 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.69 3hye s LYS 41 CO -0.03 -0.16 0.48 0.00 -0.36 0.00 0.00 175.35 175.27 3hye h ASN 43 N 0.64 0.00 0.00 0.00 -0.00 -0.87 -3.12 115.58 112.23 3hye h ASN 43 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 55.93 3hye h ASN 43 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.60 3hye h ASN 43 CO 0.54 0.00 -0.29 -0.90 -0.00 0.00 0.00 177.43 176.78 3hye n ASP 44 N -2.82 0.00 -0.00 6.14 3.85 -1.26 -4.95 116.55 117.51 3hye n ASP 44 Ca -0.02 -1.55 0.00 0.00 -0.71 0.00 0.00 54.79 52.51 3hye n ASP 44 Cb 0.33 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 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 1.26 3.15 6.12 0.00 -1.18 -1.04 105.19 113.52 3hye n GLY 45 Ca -0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.24 0.11 0.00 1.61 -7.23 -0.38 -0.67 120.40 111.61 3hye s VAL 46 Ca 0.00 -0.94 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 3hye s VAL 46 Cb 0.00 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 3hye s VAL 46 CO 0.00 -0.52 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.41 3hye s VAL 47 N -2.41 1.40 -0.02 1.32 1.01 0.34 -1.04 120.40 121.00 3hye s VAL 47 Ca -0.06 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3hye s VAL 47 Cb -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3hye s VAL 47 CO -0.03 0.32 -0.19 -0.36 0.00 0.00 0.00 175.10 174.84 3hye s PHE 48 N -0.52 1.74 0.01 5.22 0.40 0.11 -0.58 117.98 124.35 3hye s PHE 48 Ca 0.06 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 3hye s PHE 48 Cb -0.07 -1.13 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 3hye s PHE 48 CO -0.00 -0.06 0.13 0.00 0.70 0.00 0.00 175.22 175.99 3hye s ALA 49 N -0.36 -0.29 0.05 5.36 0.00 -0.92 -0.07 121.76 125.53 3hye s ALA 49 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3hye s ALA 49 Cb -0.08 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3hye s ALA 49 CO -0.00 -0.22 0.23 0.54 0.00 0.00 0.00 175.76 176.31 3hye s VAL 50 N -1.51 0.11 -0.20 0.00 0.11 -0.37 -0.49 120.40 118.05 3hye s VAL 50 Ca -0.14 -0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 57.87 3hye s VAL 50 Cb -0.07 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 3hye s VAL 50 CO 0.01 -0.49 0.39 -0.70 -3.33 0.00 0.00 175.10 170.98 3hye s GLU 51 N -2.84 4.18 -0.47 1.54 2.12 -0.46 -2.73 118.70 120.04 3hye s GLU 51 Ca -0.03 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 3hye s GLU 51 Cb 0.00 -3.53 0.13 0.00 0.26 0.00 0.00 34.13 30.99 3hye s GLU 51 CO -0.05 -0.02 0.26 0.15 -0.54 0.00 0.00 175.26 175.06 3hye s LYS 52 N 1.24 2.12 0.13 4.30 1.02 -0.11 -4.64 119.74 123.80 3hye s LYS 52 Ca 0.19 -2.08 -0.31 0.00 0.02 0.00 0.00 55.97 53.78 3hye s LYS 52 Cb -0.15 -3.58 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 3hye s LYS 52 CO 0.08 -1.09 1.84 1.28 -0.92 0.00 0.00 175.35 176.53 3hye n LEU 53 N 4.16 4.08 -4.46 3.17 4.77 -1.26 -0.02 117.00 127.44 3hye n LEU 53 Ca 0.02 0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 56.55 3hye n LEU 53 Cb 0.40 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 3hye n LEU 53 CO 0.32 0.20 0.94 -0.63 -1.33 0.00 0.00 177.39 176.89 3hye s ILE 54 N 2.62 4.57 0.33 -0.08 1.01 0.14 -4.86 121.20 124.92 3hye s ILE 54 Ca 0.81 -1.18 0.05 0.00 0.00 0.00 0.00 60.65 60.33 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 0.37 -1.51 1.89 0.74 0.00 0.00 0.00 174.94 176.42 3hye h THR 55 N 5.94 0.95 -2.84 2.92 2.02 -1.91 -3.39 112.91 116.59 3hye h THR 55 Ca 0.03 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.00 3hye h THR 55 Cb 1.04 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3hye h THR 55 CO 1.15 0.15 0.31 -0.94 0.37 0.00 0.00 175.52 176.56 3hye s SER 56 N -5.90 -0.18 0.58 4.18 1.04 -1.26 -5.01 113.70 107.14 3hye s SER 56 Ca -0.11 -0.67 0.36 0.00 0.48 0.00 0.00 55.95 56.02 3hye s SER 56 Cb 0.21 0.69 1.65 0.00 0.10 0.00 0.00 66.02 68.67 3hye s SER 56 CO 0.79 -1.30 2.09 0.11 0.98 0.00 0.00 173.24 175.91 3hye h LYS 57 N 2.00 0.00 0.00 4.02 1.79 -2.04 -2.96 116.57 119.39 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 1.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3hye h LYS 57 CO 0.27 0.01 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.47 3hye h LEU 58 N 0.00 0.00 -9.13 2.94 3.38 -1.99 -3.43 115.31 107.09 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 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hye h LEU 58 CO 0.00 0.12 1.13 -0.76 0.09 0.00 0.00 178.44 179.02 3hye s LEU 59 N -7.03 4.05 0.05 1.67 1.02 -1.12 -4.92 118.68 112.40 3hye s LEU 59 Ca -0.02 1.88 -0.30 0.00 0.02 0.00 0.00 54.13 55.71 3hye s LEU 59 Cb 0.12 -3.53 -0.09 0.00 0.02 0.00 0.00 46.19 42.71 3hye s LEU 59 CO 0.58 -1.16 1.96 -0.69 0.02 0.00 0.00 176.35 177.06 3hye s VAL 60 N 4.88 2.91 0.41 -1.59 1.01 -1.26 -4.90 120.40 121.87 3hye s VAL 60 Ca 0.74 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 3hye s VAL 60 Cb -0.29 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 3hye s VAL 60 CO 0.29 -0.00 1.45 -2.84 0.00 0.00 0.00 175.10 174.00 3hye s PRO 61 N 4.19 3.92 0.00 2.72 0.02 -1.26 -2.80 135.00 141.79 3hye s PRO 61 Ca 0.88 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.38 3hye s PRO 61 Cb -0.44 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3hye s PRO 61 CO 0.41 -0.65 0.00 1.04 -0.33 0.00 0.00 177.00 177.47 3hye n GLN 62 N 0.17 0.00 0.07 5.54 1.13 -1.26 -4.86 117.38 118.17 3hye n GLN 62 Ca 0.03 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 3hye n GLN 62 Cb 0.41 -2.88 -0.15 0.00 0.11 0.00 0.00 30.24 27.73 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 1.28 0.36 -5.01 -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 57.16 3hye h LYS 63 Cb 0.00 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 30.79 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 -4.73 0.86 3.02 -1.26 -4.97 115.26 108.94 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 -1.68 -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 3.21 2.95 -0.17 2.41 1.01 -1.26 -4.95 120.40 123.61 3hye s VAL 65 Ca 0.49 0.74 0.11 0.00 0.00 0.00 0.00 61.98 63.33 3hye s VAL 65 Cb 0.06 -3.48 -0.18 0.00 0.00 0.00 0.00 36.38 32.78 3hye s VAL 65 CO 0.02 0.09 -0.00 0.29 0.00 0.00 0.00 175.10 175.50 3hye n LYS 66 N 3.10 1.19 -2.35 2.72 5.02 -1.26 -4.97 118.16 121.61 3hye n LYS 66 Ca 0.09 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 3hye n LYS 66 Cb 0.41 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.39 3.33 0.05 -0.18 1.01 -1.26 -4.81 121.20 116.95 3hye s ILE 67 Ca -0.12 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 38.70 3hye s ILE 67 CO 0.61 0.26 -0.19 -1.10 0.00 0.00 0.00 174.94 174.52 3hye s GLN 68 N -1.04 1.26 -0.01 2.79 -0.21 0.03 -4.97 119.66 117.50 3hye s GLN 68 Ca 0.49 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 3hye s GLN 68 Cb -0.34 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 3hye s GLN 68 CO 0.42 0.34 0.16 0.54 -2.12 0.00 0.00 175.29 174.63 3hye s VAL 69 N -0.85 5.30 -0.07 1.09 0.11 -1.26 -0.05 120.40 124.67 3hye s VAL 69 Ca 0.06 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3hye s VAL 69 Cb -0.09 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.30 3hye s VAL 69 CO 0.02 0.35 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.23 3hye s VAL 70 N -1.28 1.82 0.00 2.04 1.01 -0.14 -4.97 120.40 118.88 3hye s VAL 70 Ca 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3hye s VAL 70 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3hye s VAL 70 CO 0.17 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 175.11 3hye n ASP 71 N 3.32 0.00 0.00 3.32 2.03 -1.26 -2.32 116.55 121.64 3hye n ASP 71 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 3hye n ASP 71 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.94 -0.03 -0.67 1.74 -1.26 -4.80 116.66 128.58 3hye n ARG 72 Ca 0.00 -0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.00 3hye n ARG 72 Cb 0.00 -0.44 0.02 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.44 0.07 -4.99 -1.55 1.44 -1.22 -1.72 115.22 106.80 3hye n HIS 73 Ca 0.00 -0.49 -0.27 0.00 -2.01 0.00 0.00 57.72 54.95 3hye n HIS 73 Cb 0.03 -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 -0.99 1.61 0.03 0.61 1.01 -0.98 -3.72 121.20 118.77 3hye s ILE 74 Ca 0.03 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.91 3hye s ILE 74 Cb 0.02 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3hye s ILE 74 CO 0.02 0.46 -0.22 -0.83 0.00 0.00 0.00 174.94 174.36 3hye s GLY 75 N -0.37 1.46 -0.02 6.18 0.00 -0.39 -0.97 107.32 113.21 3hye s GLY 75 Ca 0.05 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3hye s GLY 75 CO -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 173.10 172.00 3hye s VAL 77 N 0.49 0.49 0.09 0.00 0.11 0.35 -0.79 120.40 121.14 3hye s VAL 77 Ca -0.05 -1.21 -0.17 0.00 -2.93 0.00 0.00 61.98 57.62 3hye s VAL 77 Cb -0.08 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3hye s VAL 77 CO -0.01 -0.50 0.40 -0.72 -3.33 0.00 0.00 175.10 170.94 3hye s TYR 78 N -1.83 -0.22 -0.03 1.54 -0.85 -1.26 -0.33 117.35 114.37 3hye s TYR 78 Ca -0.07 0.02 0.07 0.00 -0.52 0.00 0.00 57.07 56.57 3hye s TYR 78 Cb -0.07 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.48 3hye s TYR 78 CO -0.01 -0.64 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.01 3hye s SER 79 N -2.45 2.95 0.00 -0.18 0.01 -0.98 -4.94 113.70 108.11 3hye s SER 79 Ca -0.01 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3hye s SER 79 Cb 0.01 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 3hye s SER 79 CO -0.08 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.47 3hye n GLY 80 N 2.62 0.30 3.61 3.44 0.00 -1.26 -2.28 105.19 111.61 3hye n GLY 80 Ca -0.16 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 3.67 0.18 0.99 1.43 0.48 -4.83 118.68 120.61 3hye s LEU 81 Ca 0.00 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 3hye s LEU 81 Cb 0.00 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 42.84 3hye s LEU 81 CO 0.00 -1.23 1.70 0.40 0.23 0.00 0.00 176.35 177.44 3hye h ILE 82 N 6.20 0.67 -0.74 -0.59 5.03 -1.94 -2.07 117.51 124.07 3hye h ILE 82 Ca -0.24 -0.05 0.11 0.00 -0.12 0.00 0.00 64.86 64.57 3hye h ILE 82 Cb 1.07 0.51 -0.08 0.00 -3.03 0.00 0.00 36.82 35.29 3hye h ILE 82 CO 1.10 0.03 0.35 -0.65 -0.68 0.00 0.00 178.15 178.31 3hye h PRO 83 N 0.15 0.55 -0.75 2.37 0.11 -1.99 0.15 132.00 132.59 3hye h PRO 83 Ca 0.23 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.36 3hye h PRO 83 Cb 0.33 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3hye h PRO 83 CO -0.36 0.36 0.49 -0.44 -0.21 0.00 0.00 178.00 177.84 3hye h ASP 84 N 0.56 0.74 0.26 -2.05 3.45 -1.76 -0.45 116.42 117.17 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 0.48 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3hye h ASP 84 CO -0.32 0.49 -0.12 1.23 -1.57 0.00 0.00 179.24 178.95 3hye h GLY 85 N 0.85 -0.36 0.42 2.75 0.00 -0.44 -1.32 103.07 104.96 3hye h GLY 85 Ca 0.31 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.86 3hye h GLY 85 CO -0.10 -0.13 0.15 3.21 0.00 0.00 0.00 176.54 179.67 3hye h ARG 86 N -0.45 0.30 -0.61 4.80 3.08 -0.66 -0.85 114.38 120.00 3hye h ARG 86 Ca -0.04 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.11 3hye h ARG 86 Cb 0.34 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 3hye h ARG 86 CO 0.06 0.20 0.15 1.25 -1.07 0.00 0.00 179.97 180.56 3hye h HIS 87 N 0.31 0.24 -0.36 3.04 2.76 -0.84 0.16 115.15 120.45 3hye h HIS 87 Ca 0.26 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 3hye h HIS 87 Cb 0.32 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3hye h HIS 87 CO -0.19 -0.01 -0.09 1.25 -1.30 0.00 0.00 177.93 177.58 3hye h LEU 88 N 0.28 0.60 -0.27 0.26 5.85 -0.26 -2.60 115.31 119.18 3hye h LEU 88 Ca 0.32 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 3hye h LEU 88 Cb 0.47 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hye h LEU 88 CO -0.39 0.74 -0.53 0.58 -0.34 0.00 0.00 178.44 178.49 3hye h VAL 89 N 0.58 1.28 -0.68 1.05 2.07 0.22 -0.88 116.25 119.90 3hye h VAL 89 Ca 0.11 -1.72 0.08 0.00 0.82 0.00 0.00 66.70 65.99 3hye h VAL 89 Cb 0.50 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 3hye h VAL 89 CO 0.03 0.56 0.34 0.78 0.02 0.00 0.00 177.57 179.29 3hye h ASN 90 N 0.60 0.45 -0.20 0.57 -0.26 -0.63 0.20 115.58 116.31 3hye h ASN 90 Ca 0.01 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 3hye h ASN 90 Cb 1.14 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.37 3hye h ASN 90 CO 0.12 0.27 0.06 -0.09 -1.06 0.00 0.00 177.43 176.73 3hye h ARG 91 N 0.59 0.31 -0.82 0.81 9.65 -1.33 -1.98 114.38 121.61 3hye h ARG 91 Ca 0.33 -0.07 0.11 0.00 -1.10 0.00 0.00 59.98 59.25 3hye h ARG 91 Cb 0.31 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.79 3hye h ARG 91 CO -0.25 0.41 0.53 0.78 2.80 0.00 0.00 179.97 184.24 3hye h GLY 92 N 0.15 1.08 0.93 2.80 0.00 -0.08 0.15 103.07 108.10 3hye h GLY 92 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3hye h GLY 92 CO -0.00 0.16 0.04 3.21 0.00 0.00 0.00 176.54 179.95 3hye h ARG 93 N 0.73 0.65 -0.54 4.80 3.08 -0.20 0.19 114.38 123.09 3hye h ARG 93 Ca 0.38 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3hye h ARG 93 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3hye h ARG 93 CO -0.15 0.72 0.13 0.93 -1.07 0.00 0.00 179.97 180.53 3hye h GLU 94 N 0.49 0.86 -0.74 0.04 5.08 -0.54 -0.02 114.58 119.74 3hye h GLU 94 Ca 0.11 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3hye h GLU 94 Cb 0.40 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3hye h GLU 94 CO 0.01 0.81 0.46 1.49 -1.00 0.00 0.00 179.01 180.78 3hye h GLU 95 N 0.76 0.85 -0.22 2.33 4.57 -0.50 0.57 114.58 122.94 3hye h GLU 95 Ca 0.17 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.10 3hye h GLU 95 Cb 0.34 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3hye h GLU 95 CO 0.00 0.57 -0.64 0.00 -1.18 0.00 0.00 179.01 177.75 3hye h ALA 96 N 1.33 0.38 -0.43 2.92 0.00 -0.17 -2.65 119.26 120.64 3hye h ALA 96 Ca 0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3hye h ALA 96 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hye h ALA 96 CO -0.13 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.89 3hye h ALA 97 N 0.61 0.56 -0.32 0.00 0.00 -0.69 -1.65 119.26 117.78 3hye h ALA 97 Ca -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hye h ALA 97 Cb 1.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3hye h ALA 97 CO 0.14 0.24 0.06 1.03 0.00 0.00 0.00 179.25 180.71 3hye h SER 98 N 0.55 -0.01 -0.32 0.00 0.87 -0.89 0.66 113.55 114.42 3hye h SER 98 Ca 0.13 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3hye h SER 98 Cb 0.31 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3hye h SER 98 CO 0.00 0.03 0.20 0.15 -0.53 0.00 0.00 176.83 176.68 3hye h PHE 99 N 0.17 0.42 -0.14 2.24 3.04 -1.31 -1.85 116.94 119.50 3hye h PHE 99 Ca 0.15 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 3hye h PHE 99 Cb 0.17 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 3hye h PHE 99 CO -0.18 0.30 0.05 -0.22 -2.02 0.00 0.00 178.31 176.24 3hye h LYS 100 N 0.42 0.22 -0.81 1.11 3.64 -1.01 0.48 116.57 120.62 3hye h LYS 100 Ca 0.12 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 3hye h LYS 100 Cb -0.00 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.68 3hye h LYS 100 CO -0.02 0.32 0.35 -0.22 -2.27 0.00 0.00 179.45 177.61 3hye h LYS 101 N 0.07 0.46 0.18 1.90 3.64 -0.67 1.23 116.57 123.37 3hye h LYS 101 Ca 0.05 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 3hye h LYS 101 Cb 0.19 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3hye h LYS 101 CO -0.00 0.30 -1.35 1.25 -2.27 0.00 0.00 179.45 177.38 3hye h LEU 102 N 0.47 0.60 -1.59 5.20 5.85 -1.18 -3.38 115.31 121.27 3hye h LEU 102 Ca 0.46 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3hye h LEU 102 Cb 0.73 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hye h LEU 102 CO -0.43 1.62 -0.09 -1.22 -0.34 0.00 0.00 178.44 177.99 3hye n TYR 103 N -3.85 0.00 0.00 1.25 4.01 0.15 -4.99 117.16 113.72 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 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 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 0.86 0.00 -2.96 -0.72 3.00 0.42 -4.93 118.16 113.83 3hye n LYS 104 Ca 0.11 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.05 3hye n LYS 104 Cb 0.48 -0.11 -0.06 0.00 0.00 0.00 0.00 35.03 35.34 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 4.40 0.48 3.15 -1.32 -1.26 -4.88 115.64 116.21 3hye s THR 105 Ca 0.00 1.56 -0.24 0.00 -1.21 0.00 0.00 61.69 61.80 3hye s THR 105 Cb 0.00 -3.97 -0.07 0.00 -1.51 0.00 0.00 72.50 66.95 3hye s THR 105 CO 0.00 0.25 1.36 -2.16 -2.21 0.00 0.00 174.62 171.86 3hye s PRO 106 N -1.83 3.56 0.14 7.08 0.04 -1.26 -4.20 135.00 138.52 3hye s PRO 106 Ca 0.44 2.25 -0.33 0.00 0.04 0.00 0.00 61.00 63.40 3hye s PRO 106 Cb -0.19 -2.51 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 3hye s PRO 106 CO 0.23 -0.86 1.65 1.51 0.04 0.00 0.00 177.00 179.57 3hye n ILE 107 N -0.45 0.08 -2.13 0.56 3.06 -1.26 -4.98 119.36 114.24 3hye n ILE 107 Ca 0.07 -0.01 -0.37 0.00 -2.50 0.00 0.00 62.75 59.93 3hye n ILE 107 Cb 0.44 -1.68 0.01 0.00 0.54 0.00 0.00 39.64 38.94 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 1.36 3.57 0.21 9.51 0.02 -1.26 -4.82 135.00 143.59 3hye s PRO 108 Ca 0.80 1.89 -0.09 0.00 0.02 0.00 0.00 61.00 63.61 3hye s PRO 108 Cb -0.64 -2.34 0.22 0.00 0.02 0.00 0.00 34.50 31.76 3hye s PRO 108 CO 0.38 -0.74 1.84 0.82 -0.33 0.00 0.00 177.00 178.97 3hye h ILE 109 N 1.72 1.07 -0.02 2.83 5.03 -1.92 0.14 117.51 126.36 3hye h ILE 109 Ca -0.50 -0.30 -0.00 0.00 -0.12 0.00 0.00 64.86 63.95 3hye h ILE 109 Cb 1.26 0.13 -0.00 0.00 -3.03 0.00 0.00 36.82 35.19 3hye h ILE 109 CO 0.59 0.16 0.01 -0.65 -0.68 0.00 0.00 178.15 177.58 3hye h PRO 110 N 0.86 0.03 -0.53 2.37 0.11 -1.98 0.27 132.00 133.13 3hye h PRO 110 Ca 0.30 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.47 3hye h PRO 110 Cb 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 3hye h PRO 110 CO -0.13 0.07 0.24 0.00 -0.21 0.00 0.00 178.00 177.96 3hye h ALA 111 N 0.96 0.68 -0.59 -0.75 0.00 -1.82 -1.66 119.26 116.09 3hye h ALA 111 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hye h ALA 111 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hye h ALA 111 CO -0.00 -0.14 0.33 0.35 0.00 0.00 0.00 179.25 179.79 3hye h PHE 112 N 0.45 0.81 -0.51 0.00 3.57 -0.30 -2.07 116.94 118.89 3hye h PHE 112 Ca 0.25 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.80 3hye h PHE 112 Cb 0.22 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3hye h PHE 112 CO -0.13 0.58 0.21 0.00 -2.23 0.00 0.00 178.31 176.73 3hye h ALA 113 N 1.16 0.64 -0.16 2.41 0.00 0.41 -1.31 119.26 122.41 3hye h ALA 113 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hye h ALA 113 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hye h ALA 113 CO -0.04 -0.18 -0.26 0.22 0.00 0.00 0.00 179.25 179.00 3hye h ASP 114 N 0.40 0.28 -0.54 0.00 -0.00 -1.07 0.11 116.42 115.61 3hye h ASP 114 Ca 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 3hye h ASP 114 Cb 0.23 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.46 3hye h ASP 114 CO -0.22 0.55 0.35 0.03 -0.00 0.00 0.00 179.24 179.95 3hye h ARG 115 N 0.26 0.71 -0.29 0.28 2.47 -0.56 0.18 114.38 117.43 3hye h ARG 115 Ca 0.04 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3hye h ARG 115 Cb 0.60 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3hye h ARG 115 CO 0.04 0.48 -0.34 -0.07 0.56 0.00 0.00 179.97 180.64 3hye h LEU 116 N 0.73 0.66 0.01 3.04 3.38 -0.90 -2.81 115.31 119.42 3hye h LEU 116 Ca 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hye h LEU 116 Cb -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hye h LEU 116 CO -0.04 0.95 -0.00 1.23 0.09 0.00 0.00 178.44 180.66 3hye h GLY 117 N 1.01 -0.01 1.31 0.83 0.00 0.11 -1.11 103.07 105.20 3hye h GLY 117 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3hye h GLY 117 CO 0.07 -0.00 0.31 1.46 0.00 0.00 0.00 176.54 178.38 3hye h GLN 118 N -0.13 0.90 -0.17 4.80 1.08 -0.69 0.81 115.11 121.72 3hye h GLN 118 Ca -0.00 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 3hye h GLN 118 Cb 0.12 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3hye h GLN 118 CO 0.00 0.69 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.59 3hye h TYR 119 N 0.90 0.39 -0.52 2.96 3.20 -1.35 -0.21 116.97 122.34 3hye h TYR 119 Ca 0.22 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3hye h TYR 119 Cb 0.09 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3hye h TYR 119 CO 0.01 0.63 -0.04 0.28 -1.64 0.00 0.00 178.16 177.40 3hye h VAL 120 N 0.04 1.27 -0.43 1.81 2.07 -0.95 -2.52 116.25 117.54 3hye h VAL 120 Ca 0.04 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3hye h VAL 120 Cb 0.52 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hye h VAL 120 CO 0.02 0.41 0.14 -0.61 0.02 0.00 0.00 177.57 177.55 3hye h GLN 121 N 0.82 0.62 -0.67 1.57 -0.00 -0.79 -1.81 115.11 114.83 3hye h GLN 121 Ca 0.14 -0.09 0.05 0.00 -0.00 0.00 0.00 58.65 58.75 3hye h GLN 121 Cb 0.58 -0.11 -0.04 0.00 0.00 0.00 0.00 27.48 27.91 3hye h GLN 121 CO 0.04 0.53 0.44 0.00 0.00 0.00 0.00 178.83 179.84 3hye h ALA 122 N 1.55 1.70 0.00 3.38 0.00 -0.59 -1.50 119.26 123.80 3hye h ALA 122 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hye h ALA 122 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hye h ALA 122 CO -0.01 0.20 0.00 0.72 0.00 0.00 0.00 179.25 180.16 3hye n HIS 123 N -4.47 0.00 -0.46 0.00 8.25 -0.68 -2.19 115.22 115.67 3hye n HIS 123 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 3hye n HIS 123 Cb 0.19 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 0.82 0.21 1.59 -2.24 -0.57 -3.70 114.28 110.23 3hye n THR 124 Ca 0.00 -0.87 0.11 0.00 -2.27 0.00 0.00 64.05 61.02 3hye n THR 124 Cb 0.14 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.47 0.25 -4.16 3.22 4.77 -0.93 -4.51 117.00 115.17 3hye n LEU 125 Ca 0.02 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 3hye n LEU 125 Cb 0.38 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3hye n LEU 125 CO 0.00 0.04 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.39 3hye s TYR 126 N -3.40 0.95 -2.23 -1.77 2.02 -1.26 -4.77 117.35 106.89 3hye s TYR 126 Ca -0.04 -0.74 0.19 0.00 -0.37 0.00 0.00 57.07 56.11 3hye s TYR 126 Cb 0.14 -0.53 0.56 0.00 -0.40 0.00 0.00 41.96 41.73 3hye s TYR 126 CO 0.89 -0.06 1.44 0.27 -1.57 0.00 0.00 175.55 176.52 3hye n ASN 127 N 0.41 2.31 -0.15 2.29 2.04 -1.26 -3.64 115.26 117.26 3hye n ASN 127 Ca -0.15 -1.87 0.12 0.00 -0.44 0.00 0.00 54.58 52.24 3hye n ASN 127 Cb 0.59 -0.20 0.26 0.00 -2.53 0.00 0.00 39.78 37.90 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 0.75 0.90 -4.30 0.53 3.41 -1.26 -4.69 113.62 108.96 3hye n SER 128 Ca 0.16 -0.71 -0.16 0.00 -0.26 0.00 0.00 58.87 57.91 3hye n SER 128 Cb 0.41 0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.72 1.19 0.05 -3.33 -7.23 -1.24 -5.16 120.40 101.97 3hye s VAL 129 Ca 0.18 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 3hye s VAL 129 Cb 0.18 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 3hye s VAL 129 CO 0.62 -0.56 0.04 -0.60 -0.31 0.00 0.00 175.10 174.29 3hye s ARG 130 N -3.78 2.80 0.89 4.82 3.52 -1.26 -4.75 118.95 121.19 3hye s ARG 130 Ca 0.22 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 55.03 3hye s ARG 130 Cb 0.03 -2.69 0.13 0.00 -1.56 0.00 0.00 34.95 30.86 3hye s ARG 130 CO 0.05 0.59 1.09 -2.14 -0.81 0.00 0.00 175.30 174.07 3hye s PRO 131 N -2.07 1.31 0.14 5.12 0.02 -1.24 -4.91 135.00 133.36 3hye s PRO 131 Ca 0.25 0.96 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 3hye s PRO 131 Cb -0.12 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 3hye s PRO 131 CO 0.17 -2.25 1.23 -0.06 -0.33 0.00 0.00 177.00 175.76 3hye s PHE 132 N -2.87 3.40 -0.37 6.54 0.40 -1.26 -4.93 117.98 118.88 3hye s PHE 132 Ca 0.64 1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 58.26 3hye s PHE 132 Cb -0.19 -3.47 0.17 0.00 0.51 0.00 0.00 43.02 40.05 3hye s PHE 132 CO 0.57 -1.40 2.28 0.41 0.70 0.00 0.00 175.22 177.78 3hye n GLY 133 N 2.70 4.25 3.29 4.36 0.00 -1.26 -4.57 105.19 113.96 3hye n GLY 133 Ca 0.07 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.36 0.08 -0.07 1.61 -7.23 -1.26 -0.38 120.40 110.78 3hye s VAL 134 Ca 0.42 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 3hye s VAL 134 Cb 0.30 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 3hye s VAL 134 CO -0.08 -0.35 -0.19 -0.44 -0.31 0.00 0.00 175.10 173.74 3hye s SER 135 N -2.41 3.60 -0.11 4.85 0.01 -0.97 -3.85 113.70 114.83 3hye s SER 135 Ca -0.01 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.92 3hye s SER 135 Cb 0.01 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.24 3hye s SER 135 CO -0.07 0.26 -0.22 -0.89 0.41 0.00 0.00 173.24 172.73 3hye s THR 136 N -0.25 1.95 -0.22 1.44 2.01 -0.11 -2.32 115.64 118.15 3hye s THR 136 Ca 0.00 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.99 3hye s THR 136 Cb -0.13 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 3hye s THR 136 CO 0.03 0.53 0.05 -0.63 -0.69 0.00 0.00 174.62 173.92 3hye s ILE 137 N 0.50 4.39 0.24 1.82 1.01 0.55 -0.15 121.20 129.57 3hye s ILE 137 Ca -0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 3hye s ILE 137 Cb -0.17 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 3hye s ILE 137 CO 0.06 0.39 0.48 0.72 0.00 0.00 0.00 174.94 176.59 3hye s PHE 138 N 1.09 0.33 -4.75 3.97 -0.12 -0.36 -0.50 117.98 117.64 3hye s PHE 138 Ca 0.04 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 3hye s PHE 138 Cb -0.14 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3hye s PHE 138 CO 0.03 -0.99 0.00 0.41 -0.05 0.00 0.00 175.22 174.61 3hye n GLY 139 N -0.38 -2.23 0.00 1.99 0.00 -0.69 -0.50 105.19 103.37 3hye n GLY 139 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.55 -0.58 3.49 -0.02 0.00 -0.87 -1.26 105.19 105.40 3hye n GLY 140 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 3.09 0.03 1.61 1.01 -1.24 -1.19 120.40 120.71 3hye s VAL 141 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3hye s VAL 141 Cb 0.00 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3hye s VAL 141 CO 0.00 0.51 0.04 -0.90 0.00 0.00 0.00 175.10 174.75 3hye n ASP 142 N 2.03 -0.10 -0.61 3.32 3.85 0.02 -4.91 116.55 120.15 3hye n ASP 142 Ca -0.17 -1.20 0.47 0.00 -0.71 0.00 0.00 54.79 53.18 3hye n ASP 142 Cb 0.52 0.21 0.73 0.00 -1.35 0.00 0.00 41.12 41.23 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 -0.06 -0.01 -3.19 0.11 4.81 -1.26 -2.43 118.16 116.14 3hye n LYS 143 Ca 0.00 1.05 -0.21 0.00 -0.87 0.00 0.00 58.31 58.28 3hye n LYS 143 Cb 0.06 -2.32 -0.05 0.00 0.02 0.00 0.00 35.03 32.74 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 -3.98 0.68 0.00 3.14 0.23 -1.26 -5.13 115.26 108.94 3hye n ASN 144 Ca 0.41 -2.90 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 3hye n ASN 144 Cb 1.78 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 38.85 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 0.74 -1.64 3.87 4.83 0.00 -1.02 -5.01 105.19 106.96 3hye n GLY 145 Ca 0.24 -2.17 -0.26 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 -1.57 3.77 -0.08 4.61 0.00 -1.26 -0.80 121.76 126.44 3hye s ALA 146 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 3hye s ALA 146 Cb 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.56 3hye s ALA 146 CO 0.00 0.52 0.21 -1.01 0.00 0.00 0.00 175.76 175.48 3hye s HIS 147 N -1.74 -0.23 0.02 0.00 4.02 -0.33 -4.99 115.29 112.03 3hye s HIS 147 Ca 0.33 0.55 0.07 0.00 1.02 0.00 0.00 55.06 57.03 3hye s HIS 147 Cb -0.11 0.08 -0.02 0.00 -1.02 0.00 0.00 32.58 31.51 3hye s HIS 147 CO 0.26 -0.11 -0.21 -1.17 1.02 0.00 0.00 174.74 174.53 3hye s LEU 148 N 0.12 2.11 0.03 0.89 2.96 -1.26 -2.06 118.68 121.47 3hye s LEU 148 Ca -0.00 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 3hye s LEU 148 Cb -0.02 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 3hye s LEU 148 CO 0.00 0.21 0.12 -0.31 -1.32 0.00 0.00 176.35 175.06 3hye s TYR 149 N -0.65 0.14 -0.04 5.38 2.02 0.35 -0.92 117.35 123.63 3hye s TYR 149 Ca 0.08 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3hye s TYR 149 Cb -0.09 -0.10 0.02 0.00 -0.40 0.00 0.00 41.96 41.39 3hye s TYR 149 CO 0.01 -0.37 -0.04 1.41 -1.57 0.00 0.00 175.55 174.99 3hye s MET 150 N -2.40 0.72 -0.16 -0.62 -2.45 -1.19 -1.23 119.30 111.97 3hye s MET 150 Ca -0.07 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.28 3hye s MET 150 Cb -0.02 -0.73 0.01 0.00 1.25 0.00 0.00 34.83 35.33 3hye s MET 150 CO -0.03 -0.05 -0.19 -1.17 1.05 0.00 0.00 175.02 174.63 3hye s LEU 151 N 0.73 2.25 0.56 4.11 2.96 0.79 -3.34 118.68 126.73 3hye s LEU 151 Ca -0.09 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.21 3hye s LEU 151 Cb -0.13 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.07 3hye s LEU 151 CO 0.00 0.05 0.83 -1.61 -1.32 0.00 0.00 176.35 174.30 3hye s GLU 152 N 1.01 2.87 0.39 1.98 0.41 0.54 -0.94 118.70 124.97 3hye s GLU 152 Ca -0.02 -0.23 0.26 0.00 -0.41 0.00 0.00 54.97 54.58 3hye s GLU 152 Cb -0.15 -2.36 1.40 0.00 -1.78 0.00 0.00 34.13 31.24 3hye s GLU 152 CO -0.05 -0.62 1.81 -1.35 -0.49 0.00 0.00 175.26 174.56 3hye h PRO 153 N -0.02 0.00 0.00 0.39 0.11 -1.81 -0.02 132.00 130.65 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 -0.08 0.66 -0.21 0.00 0.00 178.00 178.96 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 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 0.22 3.76 -0.77 0.00 -0.02 -4.36 105.19 105.31 3hye n GLY 155 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.16 6.84 0.01 1.61 0.15 -1.25 -4.71 113.70 114.18 3hye s SER 156 Ca 0.00 2.61 -0.27 0.00 0.70 0.00 0.00 55.95 58.99 3hye s SER 156 Cb 0.00 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.73 3hye s SER 156 CO 0.00 -0.50 0.61 -0.72 1.20 0.00 0.00 173.24 173.83 3hye s TYR 157 N -0.92 -0.55 0.18 3.44 -0.85 -1.26 -0.34 117.35 117.05 3hye s TYR 157 Ca 0.50 0.79 -0.08 0.00 -0.52 0.00 0.00 57.07 57.76 3hye s TYR 157 Cb -0.39 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.34 3hye s TYR 157 CO 0.49 -0.64 0.28 -1.58 -1.52 0.00 0.00 175.55 172.58 3hye s TRP 158 N -1.90 0.53 0.23 -3.49 0.52 -1.21 -5.01 118.94 108.60 3hye s TRP 158 Ca -0.08 -0.88 -0.25 0.00 0.02 0.00 0.00 56.10 54.91 3hye s TRP 158 Cb -0.01 -0.12 -0.09 0.00 -1.15 0.00 0.00 33.47 32.11 3hye s TRP 158 CO 0.03 -0.74 0.84 0.20 0.02 0.00 0.00 176.95 177.30 3hye s GLY 159 N -3.01 2.88 0.19 0.98 0.00 -1.26 -3.18 107.32 103.92 3hye s GLY 159 Ca 0.21 0.42 0.08 0.00 0.00 0.00 0.00 44.72 45.43 3hye s GLY 159 CO 0.03 0.90 -0.15 -0.19 0.00 0.00 0.00 173.10 173.68 3hye s TYR 160 N -1.33 1.71 -0.09 1.90 1.51 -0.10 -4.97 117.35 115.99 3hye s TYR 160 Ca 0.41 -0.55 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 3hye s TYR 160 Cb -0.22 -0.81 -0.28 0.00 -0.11 0.00 0.00 41.96 40.54 3hye s TYR 160 CO 0.26 0.33 0.51 0.87 -1.11 0.00 0.00 175.55 176.41 3hye h LYS 161 N 2.80 0.31 -2.96 -0.62 1.57 -1.95 -3.38 116.57 112.34 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 -0.17 0.00 0.08 0.00 0.00 32.23 33.55 3hye h LYS 161 CO 0.58 1.23 -0.11 0.20 -0.57 0.00 0.00 179.45 180.78 3hye s GLY 162 N -5.37 -0.27 0.01 3.86 0.00 -1.26 -1.62 107.32 102.66 3hye s GLY 162 Ca -0.19 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.72 3hye s GLY 162 CO 0.81 0.12 0.41 0.00 0.00 0.00 0.00 173.10 174.43 3hye s ALA 163 N -2.22 -1.02 0.03 3.20 0.00 -0.22 -4.98 121.76 116.55 3hye s ALA 163 Ca -0.07 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 3hye s ALA 163 Cb -0.01 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3hye s ALA 163 CO -0.01 -0.37 0.36 0.00 0.00 0.00 0.00 175.76 175.75 3hye s ALA 164 N -1.86 -0.88 0.11 0.00 0.00 -1.26 -0.93 121.76 116.94 3hye s ALA 164 Ca -0.09 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 3hye s ALA 164 Cb -0.02 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.41 3hye s ALA 164 CO 0.02 -0.39 0.52 -0.08 0.00 0.00 0.00 175.76 175.83 3hye s THR 165 N -2.17 0.03 0.00 0.00 -1.32 -0.75 -4.90 115.64 106.52 3hye s THR 165 Ca -0.07 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3hye s THR 165 Cb -0.02 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3hye s THR 165 CO -0.01 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 3hye n GLY 166 N -0.10 -1.63 0.37 6.08 0.00 -1.26 -1.56 105.19 107.09 3hye n GLY 166 Ca -0.17 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.25 -1.14 1.61 3.00 0.12 -1.77 118.16 119.70 3hye n LYS 167 Ca 0.00 1.47 -0.18 0.00 -0.00 0.00 0.00 58.31 59.60 3hye n LYS 167 Cb 0.00 -2.17 0.21 0.00 0.00 0.00 0.00 35.03 33.06 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 -1.42 4.39 0.38 3.14 0.00 -1.26 -4.67 105.19 105.74 3hye n GLY 168 Ca 0.09 -1.09 0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 1.31 0.58 -0.04 1.61 0.11 -1.58 -2.02 114.38 114.35 3hye h ARG 169 Ca 0.52 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.56 3hye h ARG 169 Cb 2.63 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 33.58 3hye h ARG 169 CO 0.95 0.38 0.02 1.96 0.10 0.00 0.00 179.97 183.38 3hye h GLN 170 N 0.59 0.06 0.25 0.08 7.50 -1.85 0.51 115.11 122.26 3hye h GLN 170 Ca 0.48 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.63 3hye h GLN 170 Cb 0.94 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.43 3hye h GLN 170 CO -0.23 0.21 -0.33 0.77 -1.50 0.00 0.00 178.83 177.75 3hye h SER 171 N -0.09 -0.91 -0.02 1.46 0.02 -1.79 0.30 113.55 112.53 3hye h SER 171 Ca 0.01 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3hye h SER 171 Cb 0.17 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 3hye h SER 171 CO -0.00 -0.45 -0.28 0.00 -1.14 0.00 0.00 176.83 174.96 3hye h ALA 172 N -0.08 -0.38 -0.85 3.77 0.00 -1.26 0.02 119.26 120.48 3hye h ALA 172 Ca -0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3hye h ALA 172 Cb 0.61 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3hye h ALA 172 CO -0.11 -0.79 0.46 0.87 0.00 0.00 0.00 179.25 179.69 3hye h LYS 173 N -0.42 0.70 0.01 0.00 1.57 0.24 0.32 116.57 118.99 3hye h LYS 173 Ca 0.07 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hye h LYS 173 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3hye h LYS 173 CO -0.26 0.46 -0.08 0.00 -0.57 0.00 0.00 179.45 179.01 3hye h ALA 174 N 1.51 -0.09 -0.65 3.86 0.00 0.10 0.36 119.26 124.34 3hye h ALA 174 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3hye h ALA 174 Cb 0.51 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hye h ALA 174 CO -0.30 -0.58 0.37 0.93 0.00 0.00 0.00 179.25 179.67 3hye h GLU 175 N -0.15 0.90 -0.82 0.00 4.39 0.11 -2.63 114.58 116.38 3hye h GLU 175 Ca 0.03 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hye h GLU 175 Cb 0.18 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3hye h GLU 175 CO -0.08 0.67 0.49 -0.07 -1.16 0.00 0.00 179.01 178.86 3hye h LEU 176 N 0.89 0.98 -1.48 1.33 -0.00 -0.02 -2.19 115.31 114.83 3hye h LEU 176 Ca 0.23 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 3hye h LEU 176 Cb 0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 3hye h LEU 176 CO -0.04 0.76 0.02 -0.33 -0.00 0.00 0.00 178.44 178.85 3hye h GLU 177 N 1.12 0.36 0.34 1.13 5.08 -0.61 -1.44 114.58 120.55 3hye h GLU 177 Ca 0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3hye h GLU 177 Cb -0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3hye h GLU 177 CO -0.05 0.37 -0.16 0.87 -1.00 0.00 0.00 179.01 179.03 3hye h LYS 178 N 0.35 -0.43 -0.46 2.33 1.57 -1.06 -2.48 116.57 116.38 3hye h LYS 178 Ca 0.08 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 3hye h LYS 178 Cb 0.21 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 3hye h LYS 178 CO 0.00 -0.17 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.54 3hye h LEU 179 N -0.66 -0.42 -0.76 2.94 3.38 -1.14 -1.07 115.31 117.59 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 0.47 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 3hye h LEU 179 CO 0.08 -0.15 0.34 0.58 0.09 0.00 0.00 178.44 179.37 3hye h VAL 180 N 0.00 0.71 0.00 1.22 2.07 -1.16 -1.45 116.25 117.64 3hye h VAL 180 Ca 0.22 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3hye h VAL 180 Cb 0.33 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3hye h VAL 180 CO -0.47 0.09 0.00 0.47 0.02 0.00 0.00 177.57 177.68 3hye n ASP 18 N -4.95 1.25 0.00 0.57 8.00 -0.41 -3.82 116.55 117.19 3hye n ASP 18 Ca 0.14 -1.04 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 -0.55 -5.01 115.22 120.04 3hye n HIS 18 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 3hye n HIS 18 Cb 0.22 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.05 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 -2.01 132.00 127.87 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 -0.48 1.05 -0.23 0.00 0.00 178.00 178.34 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 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 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 1.29 2.50 3.89 1.06 0.00 -0.76 -4.96 105.19 108.21 3hye n GLY 18 Ca 0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 3.05 0.24 0.99 2.96 -1.26 -4.77 118.68 119.89 3hye s LEU 184 Ca 0.00 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 3hye s LEU 184 Cb 0.00 -3.97 -0.03 0.00 0.50 0.00 0.00 46.19 42.69 3hye s LEU 184 CO 0.00 -1.17 0.31 -0.94 -1.32 0.00 0.00 176.35 173.23 3hye s SER 185 N -4.30 6.09 0.18 3.68 1.04 -1.26 -0.18 113.70 118.94 3hye s SER 185 Ca 0.56 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 3hye s SER 185 Cb -0.11 -1.73 0.15 0.00 0.10 0.00 0.00 66.02 64.43 3hye s SER 185 CO 0.51 -0.05 1.73 0.00 0.98 0.00 0.00 173.24 176.41 3hye h ALA 186 N 1.35 0.52 -0.42 5.32 0.00 -1.96 0.25 119.26 124.33 3hye h ALA 186 Ca -0.51 0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.54 3hye h ALA 186 Cb 1.23 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 3hye h ALA 186 CO 0.61 -0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.71 3hye h ARG 187 N 0.27 0.27 -0.13 0.00 -0.00 -2.01 -1.69 114.38 111.08 3hye h ARG 187 Ca 0.22 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.66 3hye h ARG 187 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.16 3hye h ARG 187 CO -0.26 0.18 -0.03 0.93 0.00 0.00 0.00 179.97 180.79 3hye h GLU 188 N 0.27 0.26 -0.93 0.04 4.39 -1.76 -3.11 114.58 113.74 3hye h GLU 188 Ca 0.20 -0.10 0.15 0.00 0.34 0.00 0.00 59.36 59.96 3hye h GLU 188 Cb 0.21 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.76 3hye h GLU 188 CO -0.22 0.54 0.59 0.00 -1.16 0.00 0.00 179.01 178.76 3hye h ALA 189 N 0.71 1.80 -0.51 3.43 0.00 -0.29 0.26 119.26 124.66 3hye h ALA 189 Ca 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hye h ALA 189 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hye h ALA 189 CO 0.01 -0.07 0.31 0.28 0.00 0.00 0.00 179.25 179.78 3hye h VAL 190 N 0.72 1.15 0.16 0.00 2.07 -1.25 0.44 116.25 119.54 3hye h VAL 190 Ca 0.48 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3hye h VAL 190 Cb 0.77 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hye h VAL 190 CO -0.24 0.15 -0.08 0.11 0.02 0.00 0.00 177.57 177.53 3hye h LYS 191 N 0.68 -0.20 -0.81 1.57 1.57 -1.13 -1.95 116.57 116.29 3hye h LYS 191 Ca 0.18 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.14 3hye h LYS 191 Cb -0.03 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.23 3hye h LYS 191 CO -0.04 0.18 0.35 0.37 -0.57 0.00 0.00 179.45 179.75 3hye h GLN 192 N -0.66 0.47 -0.38 3.15 5.75 -0.41 0.02 115.11 123.05 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 0.48 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3hye h GLN 192 CO 0.04 0.31 0.20 0.00 -2.65 0.00 0.00 178.83 176.73 3hye h ALA 193 N 1.58 0.49 -0.58 3.38 0.00 -0.05 -1.00 119.26 123.09 3hye h ALA 193 Ca 0.46 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3hye h ALA 193 Cb 0.72 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hye h ALA 193 CO -0.42 0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.24 3hye h ALA 194 N 1.05 1.68 0.47 0.00 0.00 -0.24 -2.07 119.26 120.16 3hye h ALA 194 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 194 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hye h ALA 194 CO -0.02 0.26 -0.23 -0.22 0.00 0.00 0.00 179.25 179.05 3hye h LYS 195 N 0.69 -0.61 -0.97 0.00 3.64 -0.71 -2.63 116.57 115.99 3hye h LYS 195 Ca 0.23 0.04 0.32 0.00 -1.27 0.00 0.00 60.65 59.96 3hye h LYS 195 Cb 0.05 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 31.85 3hye h LYS 195 CO -0.06 -0.41 0.32 0.82 -2.27 0.00 0.00 179.45 177.85 3hye h ILE 196 N -1.00 0.13 -0.33 2.00 2.04 -1.02 0.42 117.51 119.75 3hye h ILE 196 Ca -0.06 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3hye h ILE 196 Cb 0.49 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3hye h ILE 196 CO 0.11 0.02 0.05 0.40 0.00 0.00 0.00 178.15 178.73 3hye h ILE 197 N 0.11 1.24 -0.21 -0.67 1.08 -1.39 0.18 117.51 117.83 3hye h ILE 197 Ca 0.69 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3hye h ILE 197 Cb 1.58 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 3hye h ILE 197 CO -0.76 0.27 0.10 1.88 -0.69 0.00 0.00 178.15 178.95 3hye h TYR 198 N 0.37 0.18 0.64 1.37 -1.99 0.15 -1.35 116.97 116.34 3hye h TYR 198 Ca 0.10 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 3hye h TYR 198 Cb 0.35 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3hye h TYR 198 CO 0.02 0.10 -0.47 -0.07 -0.00 0.00 0.00 178.16 177.74 3hye h LEU 199 N 0.21 -1.23 0.00 3.88 4.07 -1.03 -1.42 115.31 119.79 3hye h LEU 199 Ca 0.09 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3hye h LEU 199 Cb 0.03 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3hye h LEU 199 CO -0.07 -0.69 0.05 0.00 -1.08 0.00 0.00 178.44 176.65 3hye n ALA 201 N -2.74 0.91 1.01 1.53 0.00 0.04 -1.19 120.51 120.07 3hye n ALA 201 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3hye n ALA 201 Cb 0.47 -0.91 0.58 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.45 0.00 0.22 0.00 -0.00 -0.52 -3.37 115.22 110.10 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 0.05 -0.40 0.49 0.00 -0.00 0.00 0.00 29.99 30.12 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 -0.63 1.57 3.07 -1.27 0.14 114.58 117.47 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 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3hye h GLU 203 CO 0.00 0.21 0.00 -0.25 -1.40 0.00 0.00 179.01 177.57 3hye n ASP 204 N -4.26 0.63 -0.40 1.42 9.92 -1.22 -2.30 116.55 120.35 3hye n ASP 204 Ca -0.02 -1.70 -0.01 0.00 -0.53 0.00 0.00 54.79 52.53 3hye n ASP 204 Cb 0.27 -0.31 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.08 -0.07 0.00 -2.24 4.05 -0.74 -4.89 115.26 111.30 3hye n ASN 205 Ca 0.00 -0.76 0.00 0.00 0.45 0.00 0.00 54.58 54.27 3hye n ASN 205 Cb 0.16 0.02 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 -0.04 -2.16 118.16 119.91 3hye n LYS 206 Ca -0.02 0.27 -0.13 0.00 -1.05 0.00 0.00 58.31 57.38 3hye n LYS 206 Cb 0.37 -1.70 -0.01 0.00 -0.65 0.00 0.00 35.03 33.04 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 0.90 -6.06 -1.58 4.11 -1.86 -3.45 114.58 106.64 3hye h GLU 20 Ca 0.00 -0.48 -0.64 0.00 0.07 0.00 0.00 59.36 58.31 3hye h GLU 20 Cb 0.39 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 3hye h GLU 20 CO 0.00 1.13 -0.57 0.15 0.07 0.00 0.00 179.01 179.80 3hye s LYS 20 N -4.34 3.08 0.56 1.06 1.02 -0.92 -5.10 119.74 115.10 3hye s LYS 20 Ca -0.11 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.17 3hye s LYS 20 Cb 0.11 -2.85 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 3hye s LYS 20 CO 0.88 0.60 1.01 0.34 -0.92 0.00 0.00 175.35 177.25 3hye s ASP 207 N -2.27 6.39 0.26 2.83 3.68 -1.26 -4.89 116.67 121.41 3hye s ASP 207 Ca 0.29 1.54 0.02 0.00 2.13 0.00 0.00 52.55 56.54 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 0.22 -0.75 0.17 0.72 0.13 0.00 0.00 175.17 175.65 3hye s PHE 208 N -2.81 1.44 -0.05 -5.34 -0.12 -1.26 0.23 117.98 110.07 3hye s PHE 208 Ca 0.58 -1.42 0.04 0.00 -0.05 0.00 0.00 56.93 56.08 3hye s PHE 208 Cb -0.11 -0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 41.57 3hye s PHE 208 CO 0.40 -0.62 -0.18 -2.00 -0.05 0.00 0.00 175.22 172.77 3hye s GLU 209 N -3.90 1.95 0.10 1.99 2.12 0.97 -4.83 118.70 117.10 3hye s GLU 209 Ca 0.38 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.93 3hye s GLU 209 Cb 0.06 -1.65 -0.06 0.00 0.26 0.00 0.00 34.13 32.73 3hye s GLU 209 CO 0.17 0.23 0.50 -1.17 -0.54 0.00 0.00 175.26 174.45 3hye s LEU 210 N 0.11 4.40 -0.03 2.70 2.96 -1.26 -0.94 118.68 126.62 3hye s LEU 210 Ca -0.06 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3hye s LEU 210 Cb -0.13 -3.03 0.03 0.00 0.50 0.00 0.00 46.19 43.55 3hye s LEU 210 CO 0.03 0.18 0.00 -0.70 -1.32 0.00 0.00 176.35 174.54 3hye s GLU 211 N -1.65 0.34 0.06 1.98 2.12 -1.11 -4.99 118.70 115.45 3hye s GLU 211 Ca 0.33 0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.77 3hye s GLU 211 Cb -0.16 -0.53 -0.03 0.00 0.26 0.00 0.00 34.13 33.67 3hye s GLU 211 CO 0.18 -0.15 -0.10 0.42 -0.54 0.00 0.00 175.26 175.07 3hye s ILE 212 N 1.11 0.78 0.09 -3.70 1.01 -1.26 -1.23 121.20 118.00 3hye s ILE 212 Ca -0.08 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 3hye s ILE 212 Cb -0.13 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.41 3hye s ILE 212 CO -0.02 -0.40 0.26 -0.94 0.00 0.00 0.00 174.94 173.84 3hye s SER 213 N -1.87 -0.00 0.20 3.58 1.04 0.90 -1.41 113.70 116.15 3hye s SER 213 Ca -0.04 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 3hye s SER 213 Cb -0.08 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3hye s SER 213 CO 0.01 -0.74 0.51 -1.66 0.98 0.00 0.00 173.24 172.33 3hye s TRP 214 N -3.66 -0.06 -0.27 5.02 1.48 -0.29 0.06 118.94 121.22 3hye s TRP 214 Ca 0.03 -0.29 -0.02 0.00 -1.06 0.00 0.00 56.10 54.76 3hye s TRP 214 Cb 0.03 0.36 0.12 0.00 -1.16 0.00 0.00 33.47 32.82 3hye s TRP 214 CO -0.10 -0.92 0.25 0.00 -4.06 0.00 0.00 176.95 172.12 3hye s SER 216 N 2.31 2.43 0.39 0.00 0.15 -1.26 -1.24 113.70 116.46 3hye s SER 216 Ca 0.09 -0.40 0.10 0.00 0.70 0.00 0.00 55.95 56.43 3hye s SER 216 Cb -0.15 -0.75 0.87 0.00 -1.71 0.00 0.00 66.02 64.29 3hye s SER 216 CO -0.30 0.17 1.94 0.25 1.20 0.00 0.00 173.24 176.50 3hye h LEU 217 N 6.31 0.54 0.02 3.45 5.85 -1.42 0.71 115.31 130.77 3hye h LEU 217 Ca -0.31 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.07 3hye h LEU 217 Cb 1.18 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 3hye h LEU 217 CO 0.47 0.32 -2.20 -1.54 -0.34 0.00 0.00 178.44 175.16 3hye n SER 218 N -4.49 0.99 0.04 1.25 3.41 -1.26 -3.35 113.62 110.20 3hye n SER 218 Ca 0.12 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.71 3hye n SER 218 Cb 0.35 0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.91 -3.40 114.58 118.12 3hye h GLU 21 Ca -0.48 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.03 3hye h GLU 21 Cb 2.08 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 3hye h GLU 21 CO 0.02 0.91 0.00 0.25 -1.16 0.00 0.00 179.01 179.03 3hye n THR 21 N -3.31 0.25 -1.15 1.13 -2.24 0.13 -4.94 114.28 104.15 3hye n THR 21 Ca -0.13 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 3hye n THR 21 Cb 1.02 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 -3.63 0.00 3.42 4.13 -0.52 -2.72 115.26 115.81 3hye n ASN 21 Ca 0.00 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.39 3hye n ASN 21 Cb 0.16 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.82 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 -2.35 0.54 3.69 7.41 0.00 -0.63 -4.88 105.19 108.98 3hye n GLY 219 Ca -0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.59 118.68 118.78 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 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3hye s LEU 220 CO 0.00 0.20 0.92 -2.28 0.23 0.00 0.00 176.35 175.42 3hye s HIS 221 N -1.26 3.53 0.04 0.29 5.65 -0.70 -4.39 115.29 118.45 3hye s HIS 221 Ca 0.24 1.49 0.01 0.00 0.25 0.00 0.00 55.06 57.06 3hye s HIS 221 Cb -0.12 -3.09 -0.03 0.00 -1.18 0.00 0.00 32.58 28.17 3hye s HIS 221 CO 0.16 -0.15 -0.06 0.15 -0.65 0.00 0.00 174.74 174.20 3hye s LYS 222 N 1.69 0.49 0.16 2.88 1.02 -0.39 -4.97 119.74 120.63 3hye s LYS 222 Ca 0.45 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 55.44 3hye s LYS 222 Cb -0.18 -0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 36.94 3hye s LYS 222 CO 0.19 -0.00 0.70 -0.06 -0.92 0.00 0.00 175.35 175.26 3hye s PHE 223 N -1.78 3.79 -0.21 3.18 0.40 -1.26 -1.14 117.98 120.96 3hye s PHE 223 Ca -0.09 1.45 -0.29 0.00 -0.60 0.00 0.00 56.93 57.40 3hye s PHE 223 Cb -0.07 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.82 3hye s PHE 223 CO -0.01 0.47 1.04 0.08 0.70 0.00 0.00 175.22 177.50 3hye s VAL 224 N -1.27 4.69 0.38 -0.44 1.01 -0.50 -4.93 120.40 119.34 3hye s VAL 224 Ca 0.36 2.02 0.04 0.00 0.00 0.00 0.00 61.98 64.40 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 -0.15 0.11 -0.54 0.00 0.00 0.00 175.10 174.75 3hye s LYS 225 N 2.99 1.82 0.01 2.72 1.02 -1.26 -4.69 119.74 122.36 3hye s LYS 225 Ca 0.45 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3hye s LYS 225 Cb -0.16 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 3hye s LYS 225 CO 0.08 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 3hye n GLY 226 N -0.82 2.41 0.25 -3.33 0.00 -1.26 -2.69 105.19 99.75 3hye n GLY 226 Ca -0.04 0.12 -0.07 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 -0.68 -0.59 1.61 3.45 -1.99 -0.70 116.42 117.53 3hye h ASP 227 Ca 0.00 0.14 0.02 0.00 0.43 0.00 0.00 57.03 57.63 3hye h ASP 227 Cb 0.00 0.35 -0.03 0.00 -0.56 0.00 0.00 39.33 39.09 3hye h ASP 227 CO 0.00 -0.24 0.39 0.25 -1.57 0.00 0.00 179.24 178.07 3hye h LEU 228 N -0.16 0.62 0.25 1.55 5.85 -1.95 0.29 115.31 121.75 3hye h LEU 228 Ca 0.17 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3hye h LEU 228 Cb 0.42 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3hye h LEU 228 CO -0.43 0.43 -0.12 0.25 -0.34 0.00 0.00 178.44 178.24 3hye h LEU 229 N 0.72 -0.28 -0.62 2.25 5.85 -1.13 -2.85 115.31 119.25 3hye h LEU 229 Ca 0.23 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3hye h LEU 229 Cb 0.03 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3hye h LEU 229 CO -0.06 0.15 0.31 -0.61 -0.34 0.00 0.00 178.44 177.89 3hye h GLN 230 N -0.79 0.55 -0.92 1.25 5.75 -0.88 0.51 115.11 120.58 3hye h GLN 230 Ca -0.03 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 3hye h GLN 230 Cb 0.51 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 3hye h GLN 230 CO 0.06 0.36 0.59 1.49 -2.65 0.00 0.00 178.83 178.68 3hye h GLU 231 N 0.56 0.78 -0.00 1.69 4.81 -1.00 0.74 114.58 122.16 3hye h GLU 231 Ca 0.29 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.26 3hye h GLU 231 Cb 0.24 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3hye h GLU 231 CO -0.21 0.52 -0.90 0.00 -0.73 0.00 0.00 179.01 177.68 3hye h ALA 232 N 1.58 0.45 0.04 2.92 0.00 -0.89 -2.18 119.26 121.18 3hye h ALA 232 Ca 0.46 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hye h ALA 232 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hye h ALA 232 CO -0.22 0.86 -0.02 0.82 0.00 0.00 0.00 179.25 180.69 3hye h ILE 233 N 0.18 0.97 0.27 0.00 1.08 0.64 -2.36 117.51 118.29 3hye h ILE 233 Ca -0.06 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3hye h ILE 233 Cb 1.53 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3hye h ILE 233 CO 0.15 0.01 -0.20 0.44 -0.69 0.00 0.00 178.15 177.86 3hye h ASP 234 N -0.08 -0.51 -1.18 1.72 3.32 -0.94 0.14 116.42 118.89 3hye h ASP 234 Ca -0.01 0.04 0.34 0.00 0.02 0.00 0.00 57.03 57.42 3hye h ASP 234 Cb 0.06 0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 3hye h ASP 234 CO 0.01 -0.31 0.79 0.15 -1.72 0.00 0.00 179.24 178.16 3hye h PHE 235 N -0.47 0.43 0.00 4.55 3.57 -1.26 0.38 116.94 124.14 3hye h PHE 235 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hye h PHE 235 Cb 0.41 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3hye h PHE 235 CO -0.12 -0.02 -0.00 0.00 -2.23 0.00 0.00 178.31 175.94 3hye h ALA 236 N 1.54 0.00 -0.98 2.41 0.00 -0.83 -2.99 119.26 118.41 3hye h ALA 236 Ca 0.65 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 55.62 3hye h ALA 236 Cb 2.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3hye h ALA 236 CO -0.24 0.00 0.71 1.96 0.00 0.00 0.00 179.25 181.68 3hye h GLN 237 N -1.00 0.01 0.01 0.00 1.08 0.68 -0.20 115.11 115.68 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 0.46 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 3hye h GLN 237 CO -0.00 0.00 -0.52 -0.22 -0.95 0.00 0.00 178.83 177.14 3hye h LYS 238 N 0.01 0.34 -0.11 1.46 3.64 -0.41 -3.28 116.57 118.22 3hye h LYS 238 Ca 0.47 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3hye h LYS 238 Cb 1.87 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 3hye h LYS 238 CO -0.01 1.07 0.00 0.39 -2.27 0.00 0.00 179.45 178.63 3hye n GLU 239 N -4.29 1.35 0.00 1.90 1.02 -0.22 -3.12 120.64 117.28 3hye n GLU 239 Ca -0.10 -0.53 0.13 0.00 -0.02 0.00 0.00 57.16 56.64 3hye n GLU 239 Cb 0.64 -1.26 0.42 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.19 0.00 -0.54 -3.67 0.13 -0.45 -5.06 119.36 109.58 3hye n ILE 240 Ca 0.11 -0.22 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 3hye n ILE 240 Cb 0.17 0.55 0.00 0.00 -0.84 0.00 0.00 39.64 39.51 3hye n ILE 240 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94