#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y17 s SER 3 N -2.72 3.24 0.20 0.00 0.01 -1.26 -4.84 113.70 108.33 1y17 s SER 3 Ca 0.15 2.30 -0.32 0.00 1.31 0.00 0.00 55.95 59.39 1y17 s SER 3 Cb -0.05 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 1y17 s SER 3 CO 0.06 -2.90 1.59 -0.24 0.41 0.00 0.00 173.24 172.15 1y17 n SER 4 N -3.74 3.36 0.00 2.44 2.88 -1.26 -1.33 113.62 115.96 1y17 n SER 4 Ca 0.13 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1y17 n SER 4 Cb 0.51 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1y17 n SER 4 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1y17 n SER 5 N 3.18 0.00 -4.84 -3.46 3.41 -1.26 -5.05 113.62 105.59 1y17 n SER 5 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.42 1y17 n SER 5 Cb 0.32 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 1y17 n SER 5 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1y17 s TRP 6 N -3.31 3.42 0.08 7.33 0.52 -0.44 -4.91 118.94 121.63 1y17 s TRP 6 Ca 0.00 0.30 0.03 0.00 0.02 0.00 0.00 56.10 56.45 1y17 s TRP 6 Cb 0.00 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1y17 s TRP 6 CO 0.00 0.61 0.06 -1.12 0.02 0.00 0.00 176.95 176.51 1y17 s SER 7 N -1.77 5.39 0.11 2.95 0.01 -0.02 -4.74 113.70 115.63 1y17 s SER 7 Ca 0.24 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.53 1y17 s SER 7 Cb -0.12 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 1y17 s SER 7 CO 0.15 0.18 -0.10 -0.94 0.41 0.00 0.00 173.24 172.94 1y17 s SER 8 N -2.31 4.38 -0.30 2.44 1.04 -1.26 0.11 113.70 117.81 1y17 s SER 8 Ca 0.28 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 1y17 s SER 8 Cb -0.12 -0.83 0.12 0.00 0.10 0.00 0.00 66.02 65.30 1y17 s SER 8 CO 0.20 0.17 0.66 -0.47 0.98 0.00 0.00 173.24 174.78 1y17 s TYR 9 N -1.25 -1.30 -1.44 5.02 5.04 -0.33 -4.96 117.35 118.13 1y17 s TYR 9 Ca 0.22 2.29 -0.03 0.00 -2.44 0.00 0.00 57.07 57.11 1y17 s TYR 9 Cb -0.11 0.78 0.02 0.00 0.35 0.00 0.00 41.96 43.00 1y17 s TYR 9 CO 0.14 -0.65 0.49 0.39 -1.34 0.00 0.00 175.55 174.59 1y17 n GLU 10 N 5.28 -3.45 -1.00 4.97 -0.58 -1.26 -1.67 120.64 122.93 1y17 n GLU 10 Ca -0.13 0.42 -0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1y17 n GLU 10 Cb 0.51 -4.66 -0.00 0.00 -0.57 0.00 0.00 31.44 26.71 1y17 n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y17 n GLY 11 N -1.89 0.46 3.39 0.62 0.00 -1.26 -5.03 105.19 101.48 1y17 n GLY 11 Ca -0.26 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1y17 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y17 s HIS 12 N -1.92 1.91 -0.11 1.61 3.76 -0.67 -5.01 115.29 114.86 1y17 s HIS 12 Ca 0.00 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1y17 s HIS 12 Cb 0.00 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 1y17 s HIS 12 CO 0.00 0.48 -0.20 0.00 -0.85 0.00 0.00 174.74 174.18 1y17 s TYR 14 N 0.31 2.32 -0.30 0.00 1.51 0.31 -1.47 117.35 120.03 1y17 s TYR 14 Ca -0.15 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.47 1y17 s TYR 14 Cb -0.17 -1.03 0.13 0.00 -0.11 0.00 0.00 41.96 40.77 1y17 s TYR 14 CO 0.07 0.67 0.70 0.21 -1.11 0.00 0.00 175.55 176.10 1y17 s LYS 15 N -3.36 0.56 -0.00 -0.62 2.47 -0.71 -0.84 119.74 117.23 1y17 s LYS 15 Ca 0.28 1.33 -0.17 0.00 -1.56 0.00 0.00 55.97 55.86 1y17 s LYS 15 Cb -0.06 0.73 -0.06 0.00 -1.46 0.00 0.00 37.83 36.98 1y17 s LYS 15 CO 0.14 -0.18 0.47 0.00 0.16 0.00 0.00 175.35 175.95 1y17 s ALA 16 N 2.67 3.62 -0.06 3.13 0.00 -1.26 -1.11 121.76 128.74 1y17 s ALA 16 Ca -0.06 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1y17 s ALA 16 Cb -0.10 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1y17 s ALA 16 CO -0.19 0.35 -0.24 -0.06 0.00 0.00 0.00 175.76 175.63 1y17 s PHE 17 N -0.72 2.31 -0.14 0.00 0.40 -0.60 -5.01 117.98 114.21 1y17 s PHE 17 Ca 0.26 -0.70 0.15 0.00 -0.60 0.00 0.00 56.93 56.04 1y17 s PHE 17 Cb -0.17 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1y17 s PHE 17 CO 0.14 -0.22 1.33 0.87 0.70 0.00 0.00 175.22 178.04 1y17 h LYS 18 N 6.13 0.00 -6.66 0.44 1.57 -1.96 -3.03 116.57 113.06 1y17 h LYS 18 Ca -0.31 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.92 1y17 h LYS 18 Cb 1.18 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.56 1y17 h LYS 18 CO 0.47 0.47 0.90 0.00 -0.57 0.00 0.00 179.45 180.72 1y17 n GLN 19 N -3.16 2.57 -3.11 3.15 10.64 -1.26 -4.55 117.38 121.65 1y17 n GLN 19 Ca -0.00 0.92 -0.39 0.00 -1.83 0.00 0.00 57.00 55.70 1y17 n GLN 19 Cb 0.76 -2.72 -0.05 0.00 -0.86 0.00 0.00 30.24 27.36 1y17 n GLN 19 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1y17 s SER 20 N 0.86 7.05 0.13 2.61 0.01 -1.26 -4.24 113.70 118.86 1y17 s SER 20 Ca 0.72 1.25 -0.11 0.00 1.31 0.00 0.00 55.95 59.12 1y17 s SER 20 Cb -0.55 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.28 1y17 s SER 20 CO 0.39 0.04 0.29 -0.54 0.41 0.00 0.00 173.24 173.84 1y17 s LYS 21 N 0.01 1.05 0.84 12.44 1.02 -0.74 -4.67 119.74 129.69 1y17 s LYS 21 Ca 0.34 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1y17 s LYS 21 Cb -0.19 0.39 0.10 0.00 -0.52 0.00 0.00 37.83 37.61 1y17 s LYS 21 CO 0.19 -0.38 1.09 0.95 -0.92 0.00 0.00 175.35 176.28 1y17 s THR 22 N -3.89 2.95 0.13 2.17 -4.23 -1.25 -1.00 115.64 110.52 1y17 s THR 22 Ca 0.10 0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 60.68 1y17 s THR 22 Cb 0.03 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 1y17 s THR 22 CO -0.06 -0.40 1.66 -0.25 -0.54 0.00 0.00 174.62 175.02 1y17 h TRP 23 N -1.32 -0.47 -0.91 3.99 7.01 -1.62 -0.61 115.95 122.01 1y17 h TRP 23 Ca -0.47 0.02 0.02 0.00 2.11 0.00 0.00 58.89 60.57 1y17 h TRP 23 Cb 1.27 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 28.50 1y17 h TRP 23 CO 0.47 -0.26 0.60 0.00 -2.79 0.00 0.00 178.44 176.47 1y17 h ALA 24 N 0.73 1.38 -0.22 2.65 0.00 -1.92 -1.57 119.26 120.31 1y17 h ALA 24 Ca 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1y17 h ALA 24 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y17 h ALA 24 CO -0.23 0.55 -0.38 -0.44 0.00 0.00 0.00 179.25 178.74 1y17 h ASP 25 N 1.19 0.52 -0.26 0.00 3.32 -1.79 -0.86 116.42 118.54 1y17 h ASP 25 Ca 0.35 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1y17 h ASP 25 Cb -0.07 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1y17 h ASP 25 CO -0.09 0.85 -0.02 0.00 -1.72 0.00 0.00 179.24 178.27 1y17 h ALA 26 N 1.17 0.35 -0.21 3.45 0.00 -0.57 0.44 119.26 123.90 1y17 h ALA 26 Ca 0.04 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1y17 h ALA 26 Cb 0.86 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1y17 h ALA 26 CO 0.07 0.11 0.04 1.49 0.00 0.00 0.00 179.25 180.96 1y17 h GLU 27 N 0.24 0.11 -0.69 0.00 4.57 -1.21 0.32 114.58 117.93 1y17 h GLU 27 Ca 0.07 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1y17 h GLU 27 Cb 0.45 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1y17 h GLU 27 CO 0.02 0.08 0.29 1.03 -1.18 0.00 0.00 179.01 179.24 1y17 h SER 28 N 0.12 0.95 -0.51 1.04 0.87 -0.98 -1.99 113.55 113.05 1y17 h SER 28 Ca 0.09 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1y17 h SER 28 Cb 0.09 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1y17 h SER 28 CO -0.13 0.86 0.21 0.15 -0.53 0.00 0.00 176.83 177.39 1y17 h PHE 29 N 0.98 0.77 -0.39 2.24 3.57 0.54 -2.76 116.94 121.88 1y17 h PHE 29 Ca 0.23 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1y17 h PHE 29 Cb 0.20 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1y17 h PHE 29 CO 0.01 0.63 0.16 0.00 -2.23 0.00 0.00 178.31 176.89 1y17 h THR 31 N 0.55 0.85 0.00 0.00 1.35 -1.07 -2.90 112.91 111.68 1y17 h THR 31 Ca 0.14 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1y17 h THR 31 Cb 0.10 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1y17 h THR 31 CO -0.02 0.23 -0.58 0.29 -0.25 0.00 0.00 175.52 175.20 1y17 n LYS 32 N -3.80 0.08 0.10 4.72 5.02 -0.77 -4.18 118.16 119.33 1y17 n LYS 32 Ca -0.02 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1y17 n LYS 32 Cb 0.33 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 1y17 n LYS 32 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1y17 h GLN 33 N 0.00 0.22 -2.39 1.97 1.08 -1.28 -3.47 115.11 111.24 1y17 h GLN 33 Ca 0.00 -0.38 -0.08 0.00 -1.45 0.00 0.00 58.65 56.74 1y17 h GLN 33 Cb 0.56 0.14 -0.21 0.00 -0.05 0.00 0.00 27.48 27.93 1y17 h GLN 33 CO 0.00 1.18 -0.02 0.54 -0.95 0.00 0.00 178.83 179.58 1y17 s VAL 34 N -2.66 0.01 0.16 -0.54 0.11 -1.25 -5.09 120.40 111.15 1y17 s VAL 34 Ca -0.03 -0.10 -0.32 0.00 -2.93 0.00 0.00 61.98 58.60 1y17 s VAL 34 Cb 0.08 -0.82 -0.10 0.00 -1.53 0.00 0.00 36.38 34.00 1y17 s VAL 34 CO 0.87 -0.06 1.64 0.20 -3.33 0.00 0.00 175.10 174.43 1y17 s ASN 35 N -0.54 6.52 0.00 3.54 -0.87 -1.26 -1.47 114.94 120.85 1y17 s ASN 35 Ca -0.07 2.68 0.00 0.00 -1.57 0.00 0.00 52.86 53.91 1y17 s ASN 35 Cb -0.03 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1y17 s ASN 35 CO 0.05 -0.89 0.00 0.61 -2.57 0.00 0.00 177.10 174.30 1y17 n GLY 36 N 3.89 0.75 3.78 0.66 0.00 -1.26 -4.96 105.19 108.04 1y17 n GLY 36 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1y17 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y17 s GLY 37 N -1.81 2.79 0.32 -0.02 0.00 -0.54 -4.56 107.32 103.49 1y17 s GLY 37 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 1y17 s GLY 37 CO 0.00 1.28 0.60 0.30 0.00 0.00 0.00 173.10 175.28 1y17 s HIS 38 N -1.56 0.40 0.39 1.90 3.76 -0.37 -3.55 115.29 116.26 1y17 s HIS 38 Ca 0.58 -0.83 -0.26 0.00 -0.15 0.00 0.00 55.06 54.41 1y17 s HIS 38 Cb -0.26 0.38 -0.09 0.00 1.11 0.00 0.00 32.58 33.73 1y17 s HIS 38 CO 0.32 -1.24 1.18 -0.51 -0.85 0.00 0.00 174.74 173.65 1y17 s LEU 39 N -3.08 4.21 0.47 0.89 1.43 -1.26 0.26 118.68 121.61 1y17 s LEU 39 Ca 0.21 2.39 -0.22 0.00 -1.03 0.00 0.00 54.13 55.48 1y17 s LEU 39 Cb -0.03 -3.98 -0.10 0.00 0.03 0.00 0.00 46.19 42.11 1y17 s LEU 39 CO 0.12 -0.67 0.76 0.55 0.23 0.00 0.00 176.35 177.35 1y17 n VAL 40 N 0.14 2.37 -5.13 -1.59 3.14 0.08 -4.04 118.33 113.30 1y17 n VAL 40 Ca 0.04 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.62 1y17 n VAL 40 Cb 0.46 -0.87 -0.16 0.00 -1.06 0.00 0.00 33.84 32.21 1y17 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1y17 s SER 41 N -0.96 2.78 -0.39 6.55 1.04 -1.26 0.24 113.70 121.69 1y17 s SER 41 Ca 0.66 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 1y17 s SER 41 Cb -0.53 -0.73 0.07 0.00 0.10 0.00 0.00 66.02 64.93 1y17 s SER 41 CO 0.55 0.22 0.21 -0.63 0.98 0.00 0.00 173.24 174.58 1y17 s ILE 42 N -0.14 4.10 -0.31 -1.02 1.01 -1.26 -4.96 121.20 118.62 1y17 s ILE 42 Ca -0.03 -1.31 0.16 0.00 0.00 0.00 0.00 60.65 59.47 1y17 s ILE 42 Cb -0.13 -3.45 0.58 0.00 0.01 0.00 0.00 42.46 39.47 1y17 s ILE 42 CO 0.03 -0.41 1.48 -0.62 0.00 0.00 0.00 174.94 175.42 1y17 n GLU 43 N 4.88 3.35 -3.57 2.79 1.02 -1.26 -5.01 120.64 122.83 1y17 n GLU 43 Ca -0.10 -2.84 0.03 0.00 -0.02 0.00 0.00 57.16 54.22 1y17 n GLU 43 Cb 0.44 -1.88 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1y17 n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1y17 s SER 44 N -1.58 -0.00 0.07 1.62 1.04 -1.26 -5.00 113.70 108.58 1y17 s SER 44 Ca 0.43 -0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.60 1y17 s SER 44 Cb 0.34 0.01 -0.17 0.00 0.10 0.00 0.00 66.02 66.30 1y17 s SER 44 CO 0.12 -0.02 1.61 0.28 0.98 0.00 0.00 173.24 176.21 1y17 h SER 45 N 2.00 -0.21 -0.56 7.02 0.02 -1.98 -1.14 113.55 118.70 1y17 h SER 45 Ca -0.27 -0.06 0.11 0.00 -0.84 0.00 0.00 61.79 60.73 1y17 h SER 45 Cb 1.18 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 1y17 h SER 45 CO 0.28 -0.07 -0.03 1.23 -1.14 0.00 0.00 176.83 177.09 1y17 h GLY 46 N -0.34 0.55 1.50 -3.77 0.00 -2.00 0.16 103.07 99.18 1y17 h GLY 46 Ca -0.03 0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1y17 h GLY 46 CO 0.04 -0.18 -0.11 -2.09 0.00 0.00 0.00 176.54 174.21 1y17 h GLU 47 N 0.09 0.60 -0.80 4.80 4.81 -1.91 -2.04 114.58 120.12 1y17 h GLU 47 Ca 0.28 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1y17 h GLU 47 Cb 0.44 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1y17 h GLU 47 CO -0.50 0.70 0.42 0.00 -0.73 0.00 0.00 179.01 178.90 1y17 h ALA 48 N 1.34 1.24 0.29 2.92 0.00 0.54 -0.07 119.26 125.51 1y17 h ALA 48 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1y17 h ALA 48 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y17 h ALA 48 CO 0.03 0.61 -0.14 -0.44 0.00 0.00 0.00 179.25 179.31 1y17 h ASP 49 N 1.12 -0.33 -0.28 0.00 3.32 -0.52 -0.90 116.42 118.84 1y17 h ASP 49 Ca 0.28 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1y17 h ASP 49 Cb 0.05 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1y17 h ASP 49 CO -0.04 0.01 -0.18 0.15 -1.72 0.00 0.00 179.24 177.46 1y17 h PHE 50 N -0.69 -0.45 -0.67 4.55 3.57 -1.16 -0.51 116.94 121.58 1y17 h PHE 50 Ca -0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1y17 h PHE 50 Cb 0.48 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1y17 h PHE 50 CO 0.02 -0.25 0.27 0.28 -2.23 0.00 0.00 178.31 176.40 1y17 h VAL 51 N -0.15 1.24 -0.74 1.41 2.07 -1.03 0.09 116.25 119.14 1y17 h VAL 51 Ca 0.15 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1y17 h VAL 51 Cb 0.38 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1y17 h VAL 51 CO -0.37 0.30 0.47 0.00 0.02 0.00 0.00 177.57 177.98 1y17 h ALA 52 N 1.12 0.93 -0.37 1.67 0.00 -0.47 -0.37 119.26 121.77 1y17 h ALA 52 Ca 0.22 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1y17 h ALA 52 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y17 h ALA 52 CO -0.02 0.37 -0.34 0.45 0.00 0.00 0.00 179.25 179.71 1y17 h HIS 53 N 1.00 1.00 -0.41 0.00 -0.00 -0.86 -1.62 115.15 114.25 1y17 h HIS 53 Ca 0.27 -0.28 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1y17 h HIS 53 Cb -0.09 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 1y17 h HIS 53 CO -0.02 1.07 0.26 1.25 -0.00 0.00 0.00 177.93 180.49 1y17 h LEU 54 N 0.71 0.43 0.03 2.43 5.85 -0.46 -2.67 115.31 121.63 1y17 h LEU 54 Ca 0.07 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1y17 h LEU 54 Cb 0.90 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1y17 h LEU 54 CO 0.08 0.31 -0.02 0.40 -0.34 0.00 0.00 178.44 178.88 1y17 h ILE 55 N 0.52 1.15 -0.10 4.05 1.08 -1.00 -2.92 117.51 120.29 1y17 h ILE 55 Ca 0.16 -0.58 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1y17 h ILE 55 Cb -0.03 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1y17 h ILE 55 CO -0.05 0.15 0.42 0.00 -0.69 0.00 0.00 178.15 177.98 1y17 h ALA 56 N 0.66 1.57 -0.11 1.87 0.00 -1.09 -0.00 119.26 122.16 1y17 h ALA 56 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1y17 h ALA 56 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y17 h ALA 56 CO 0.01 -0.47 -0.70 1.96 0.00 0.00 0.00 179.25 180.05 1y17 h GLN 57 N 0.00 0.49 0.00 0.00 4.20 -1.28 -3.39 115.11 115.14 1y17 h GLN 57 Ca 0.05 -0.38 -0.26 0.00 0.06 0.00 0.00 58.65 58.11 1y17 h GLN 57 Cb 0.89 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 1y17 h GLN 57 CO -0.00 1.01 -2.00 1.63 -0.67 0.00 0.00 178.83 178.80 1y17 n LYS 58 N -3.88 0.90 -3.33 1.46 5.02 -0.19 -4.94 118.16 113.20 1y17 n LYS 58 Ca -0.04 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1y17 n LYS 58 Cb 0.69 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.26 1y17 n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1y17 s ILE 59 N -2.35 5.15 -0.15 -0.18 -1.09 -0.20 -4.91 121.20 117.46 1y17 s ILE 59 Ca -0.18 0.75 0.02 0.00 -2.23 0.00 0.00 60.65 59.01 1y17 s ILE 59 Cb 0.05 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1y17 s ILE 59 CO 0.47 0.17 0.23 0.29 -1.23 0.00 0.00 174.94 174.87 1y17 n LYS 60 N 5.03 4.18 -3.09 2.79 4.76 -1.26 -4.48 118.16 126.09 1y17 n LYS 60 Ca -0.07 -0.19 -0.25 0.00 -2.87 0.00 0.00 58.31 54.93 1y17 n LYS 60 Cb 0.51 -0.73 -0.01 0.00 -1.84 0.00 0.00 35.03 32.96 1y17 n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1y17 s SER 61 N -0.88 6.27 0.00 4.39 0.15 -1.26 -4.99 113.70 117.38 1y17 s SER 61 Ca 0.01 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1y17 s SER 61 Cb 0.02 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1y17 s SER 61 CO 0.06 -0.41 0.63 0.00 1.20 0.00 0.00 173.24 174.72 1y17 n ALA 62 N -1.97 2.49 0.31 5.45 0.00 -1.26 -4.50 120.51 121.02 1y17 n ALA 62 Ca -0.03 -0.53 0.16 0.00 0.00 0.00 0.00 53.44 53.04 1y17 n ALA 62 Cb 0.56 -0.13 0.61 0.00 0.00 0.00 0.00 19.45 20.49 1y17 n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1y17 h LYS 63 N 0.78 0.00 -4.82 0.00 1.79 -2.05 -3.45 116.57 108.82 1y17 h LYS 63 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1y17 h LYS 63 Cb 0.17 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.68 1y17 h LYS 63 CO 0.00 0.00 -0.56 0.96 -1.08 0.00 0.00 179.45 178.77 1y17 s ILE 64 N -3.56 0.17 0.50 1.86 -4.36 -1.26 -5.18 121.20 109.37 1y17 s ILE 64 Ca 0.02 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1y17 s ILE 64 Cb 0.09 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.30 1y17 s ILE 64 CO 0.52 0.00 0.06 0.00 0.24 0.00 0.00 174.94 175.76 1y17 n HIS 65 N -0.52 0.90 -4.65 1.37 1.44 -1.26 -4.71 115.22 107.78 1y17 n HIS 65 Ca 0.03 -2.41 -0.32 0.00 -2.01 0.00 0.00 57.72 53.01 1y17 n HIS 65 Cb 0.64 -0.34 -0.17 0.00 0.12 0.00 0.00 29.99 30.25 1y17 n HIS 65 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1y17 s VAL 66 N -2.76 1.95 0.45 0.61 1.01 -0.56 -3.62 120.40 117.47 1y17 s VAL 66 Ca 0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1y17 s VAL 66 Cb -0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 1y17 s VAL 66 CO 0.03 0.53 1.24 0.26 0.00 0.00 0.00 175.10 177.16 1y17 s TRP 67 N 0.83 2.80 0.12 5.22 0.23 -0.55 -1.29 118.94 126.30 1y17 s TRP 67 Ca -0.07 1.47 0.05 0.00 -2.03 0.00 0.00 56.10 55.52 1y17 s TRP 67 Cb -0.15 -3.54 -0.04 0.00 0.03 0.00 0.00 33.47 29.76 1y17 s TRP 67 CO -0.01 -1.88 -0.12 0.96 0.96 0.00 0.00 176.95 176.85 1y17 s ILE 68 N -1.39 1.19 -1.70 2.03 -4.36 -0.94 -3.75 121.20 112.28 1y17 s ILE 68 Ca 0.62 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1y17 s ILE 68 Cb -0.34 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 41.79 1y17 s ILE 68 CO 0.42 -0.55 0.24 0.61 0.24 0.00 0.00 174.94 175.90 1y17 n GLY 69 N 0.31 -0.07 3.83 6.27 0.00 0.14 -4.55 105.19 111.11 1y17 n GLY 69 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1y17 n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y17 s LEU 70 N -0.70 4.35 -0.03 0.99 2.96 -1.26 -4.96 118.68 120.02 1y17 s LEU 70 Ca 0.00 0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 54.13 1y17 s LEU 70 Cb 0.00 -2.18 0.06 0.00 0.50 0.00 0.00 46.19 44.57 1y17 s LEU 70 CO 0.00 0.32 0.60 -0.60 -1.32 0.00 0.00 176.35 175.35 1y17 s ARG 71 N -0.59 1.00 -0.24 1.98 3.52 -1.26 -2.62 118.95 120.74 1y17 s ARG 71 Ca 0.15 0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.61 1y17 s ARG 71 Cb -0.13 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 1y17 s ARG 71 CO 0.04 -0.32 0.94 0.00 -0.81 0.00 0.00 175.30 175.15 1y17 s ALA 72 N -1.38 3.65 0.11 6.12 0.00 -0.57 -4.96 121.76 124.74 1y17 s ALA 72 Ca -0.11 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1y17 s ALA 72 Cb -0.01 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1y17 s ALA 72 CO 0.07 -1.03 1.74 1.96 0.00 0.00 0.00 175.76 178.51 1y17 h GLN 73 N 7.62 0.23 -6.01 0.00 7.50 -2.01 -3.45 115.11 118.98 1y17 h GLN 73 Ca -0.21 -0.02 -0.64 0.00 0.50 0.00 0.00 58.65 58.28 1y17 h GLN 73 Cb 1.08 -0.05 0.14 0.00 0.05 0.00 0.00 27.48 28.69 1y17 h GLN 73 CO 0.93 0.18 -0.73 0.09 -1.50 0.00 0.00 178.83 177.80 1y17 n ASN 74 N -4.95 -2.04 0.04 1.46 4.13 -1.26 -4.90 115.26 107.73 1y17 n ASN 74 Ca -0.04 0.96 0.11 0.00 1.68 0.00 0.00 54.58 57.30 1y17 n ASN 74 Cb 0.04 -0.92 0.02 0.00 -1.54 0.00 0.00 39.78 37.38 1y17 n ASN 74 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1y17 n LYS 75 N 1.16 0.35 -1.22 3.52 4.81 -1.26 -4.94 118.16 120.57 1y17 n LYS 75 Ca 0.14 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.29 1y17 n LYS 75 Cb 0.33 -1.62 0.14 0.00 0.02 0.00 0.00 35.03 33.90 1y17 n LYS 75 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1y17 s GLU 76 N -3.23 1.19 0.26 1.64 8.01 -1.26 -4.96 118.70 120.35 1y17 s GLU 76 Ca 0.03 0.77 0.12 0.00 0.01 0.00 0.00 54.97 55.90 1y17 s GLU 76 Cb 0.14 -1.81 0.26 0.00 -4.31 0.00 0.00 34.13 28.41 1y17 s GLU 76 CO 0.80 -2.27 1.54 0.87 0.01 0.00 0.00 175.26 176.20 1y17 h LYS 77 N -1.57 0.00 -3.76 1.61 1.79 -2.03 -3.46 116.57 109.16 1y17 h LYS 77 Ca -0.50 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 1y17 h LYS 77 Cb 1.29 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.79 1y17 h LYS 77 CO 0.55 0.63 -0.38 1.14 -1.08 0.00 0.00 179.45 180.32 1y17 s GLN 78 N -3.30 0.81 0.00 3.15 0.00 -1.26 -4.94 119.66 114.12 1y17 s GLN 78 Ca 0.00 -0.89 0.13 0.00 -0.00 0.00 0.00 55.36 54.60 1y17 s GLN 78 Cb 0.11 0.33 -0.08 0.00 0.00 0.00 0.00 33.01 33.37 1y17 s GLN 78 CO 0.75 -0.25 0.62 0.00 0.00 0.00 0.00 175.29 176.42 1y17 n SER 80 N -0.80 -0.94 0.00 0.00 3.41 -1.26 -5.01 113.62 109.03 1y17 n SER 80 Ca 0.04 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1y17 n SER 80 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1y17 n SER 80 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1y17 n ILE 81 N -1.94 0.00 -3.95 -1.33 5.41 -1.26 -5.09 119.36 111.20 1y17 n ILE 81 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1y17 n ILE 81 Cb 0.00 -0.16 -0.04 0.00 -0.71 0.00 0.00 39.64 38.73 1y17 n ILE 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1y17 s GLU 82 N -1.26 1.65 0.80 0.38 -1.05 -1.26 -4.02 118.70 113.94 1y17 s GLU 82 Ca 0.00 -1.17 -0.12 0.00 -0.15 0.00 0.00 54.97 53.53 1y17 s GLU 82 Cb 0.00 0.52 0.07 0.00 -0.44 0.00 0.00 34.13 34.29 1y17 s GLU 82 CO 0.00 -0.71 1.16 -1.58 0.95 0.00 0.00 175.26 175.07 1y17 s TRP 83 N -3.95 2.97 0.30 4.83 0.52 -0.67 -4.93 118.94 118.01 1y17 s TRP 83 Ca 0.18 0.83 0.37 0.00 0.02 0.00 0.00 56.10 57.51 1y17 s TRP 83 Cb -0.03 -3.40 1.77 0.00 -1.15 0.00 0.00 33.47 30.67 1y17 s TRP 83 CO 0.09 -1.74 2.12 0.66 0.02 0.00 0.00 176.95 178.10 1y17 h SER 84 N -1.04 0.00 -0.08 2.95 4.64 -2.02 -1.20 113.55 116.81 1y17 h SER 84 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1y17 h SER 84 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1y17 h SER 84 CO 0.65 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1y17 n ASP 85 N -3.04 0.90 0.00 4.97 5.68 -1.26 -4.92 116.55 118.89 1y17 n ASP 85 Ca -0.01 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1y17 n ASP 85 Cb 0.20 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1y17 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y17 n GLY 86 N 0.99 2.79 3.79 6.12 0.00 -0.45 -5.05 105.19 113.39 1y17 n GLY 86 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1y17 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y17 s SER 87 N -1.48 5.21 0.56 1.61 1.04 -1.26 -4.74 113.70 114.64 1y17 s SER 87 Ca 0.00 1.79 -0.07 0.00 0.48 0.00 0.00 55.95 58.14 1y17 s SER 87 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1y17 s SER 87 CO 0.00 -1.56 0.90 -0.44 0.98 0.00 0.00 173.24 173.12 1y17 s SER 88 N -3.22 6.03 -0.26 7.02 0.01 -1.26 -1.67 113.70 120.35 1y17 s SER 88 Ca 0.62 1.02 -0.27 0.00 1.31 0.00 0.00 55.95 58.63 1y17 s SER 88 Cb -0.16 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1y17 s SER 88 CO 0.48 -0.83 0.94 -0.63 0.41 0.00 0.00 173.24 173.61 1y17 s ILE 89 N -2.96 4.73 -0.02 1.44 1.01 -1.26 -4.84 121.20 119.30 1y17 s ILE 89 Ca 0.52 1.72 0.16 0.00 0.00 0.00 0.00 60.65 63.05 1y17 s ILE 89 Cb -0.11 -4.24 0.27 0.00 0.01 0.00 0.00 42.46 38.40 1y17 s ILE 89 CO 0.48 -0.19 1.11 -1.54 0.00 0.00 0.00 174.94 174.80 1y17 n SER 90 N 6.27 0.72 -3.26 3.58 3.41 -1.26 -5.03 113.62 118.05 1y17 n SER 90 Ca 0.09 -2.14 0.03 0.00 -0.26 0.00 0.00 58.87 56.59 1y17 n SER 90 Cb 0.47 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1y17 n SER 90 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1y17 s TYR 91 N -0.27 -0.33 0.20 7.33 6.14 -1.26 -5.18 117.35 123.99 1y17 s TYR 91 Ca 0.22 0.55 0.11 0.00 0.64 0.00 0.00 57.07 58.59 1y17 s TYR 91 Cb 0.24 0.19 -0.04 0.00 0.42 0.00 0.00 41.96 42.77 1y17 s TYR 91 CO -0.10 -0.16 -0.23 -1.21 0.64 0.00 0.00 175.55 174.49 1y17 s GLU 92 N 2.28 1.53 -0.36 4.97 2.02 -1.26 -5.05 118.70 122.82 1y17 s GLU 92 Ca -0.01 -1.55 0.14 0.00 0.02 0.00 0.00 54.97 53.57 1y17 s GLU 92 Cb -0.03 -1.81 0.41 0.00 0.10 0.00 0.00 34.13 32.80 1y17 s GLU 92 CO -0.16 0.38 1.00 -1.71 0.02 0.00 0.00 175.26 174.79 1y17 n ASN 93 N 0.15 0.32 -4.80 -0.19 5.15 -1.26 -5.12 115.26 109.52 1y17 n ASN 93 Ca -0.12 -2.81 -0.34 0.00 -0.60 0.00 0.00 54.58 50.71 1y17 n ASN 93 Cb 0.57 -0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 1y17 n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1y17 s TRP 94 N -2.03 3.03 -0.46 1.20 0.52 -1.26 -5.02 118.94 114.93 1y17 s TRP 94 Ca 0.28 1.57 -0.17 0.00 0.02 0.00 0.00 56.10 57.81 1y17 s TRP 94 Cb 0.41 -3.04 0.05 0.00 -1.15 0.00 0.00 33.47 29.74 1y17 s TRP 94 CO -0.02 -0.77 0.45 0.42 0.02 0.00 0.00 176.95 177.04 1y17 s ILE 95 N -2.04 5.12 0.04 2.03 -1.09 -1.26 -4.98 121.20 119.02 1y17 s ILE 95 Ca 0.66 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 1y17 s ILE 95 Cb -0.15 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1y17 s ILE 95 CO 0.20 -0.55 0.33 -0.62 -1.23 0.00 0.00 174.94 173.07 1y17 n GLU 96 N 5.52 -0.08 0.00 2.79 -0.58 -1.26 0.31 120.64 127.33 1y17 n GLU 96 Ca -0.10 0.32 0.02 0.00 -0.42 0.00 0.00 57.16 56.98 1y17 n GLU 96 Cb 0.45 -0.47 0.09 0.00 -0.57 0.00 0.00 31.44 30.94 1y17 n GLU 96 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1y17 n GLU 97 N -4.28 0.03 0.05 3.49 4.71 -1.26 -2.18 120.64 121.20 1y17 n GLU 97 Ca 0.01 0.32 0.12 0.00 -0.01 0.00 0.00 57.16 57.60 1y17 n GLU 97 Cb 0.06 -1.50 0.24 0.00 -1.01 0.00 0.00 31.44 29.23 1y17 n GLU 97 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1y17 n GLU 98 N -1.37 0.20 -3.16 3.49 4.07 0.90 -4.57 120.64 120.20 1y17 n GLU 98 Ca 0.01 0.07 -0.44 0.00 -0.06 0.00 0.00 57.16 56.75 1y17 n GLU 98 Cb 0.03 -1.64 -0.06 0.00 -0.06 0.00 0.00 31.44 29.71 1y17 n GLU 98 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1y17 s SER 99 N -3.88 6.24 -0.84 4.31 0.15 -0.93 -4.99 113.70 113.76 1y17 s SER 99 Ca 0.08 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 55.83 1y17 s SER 99 Cb 0.15 -2.29 0.22 0.00 -1.71 0.00 0.00 66.02 62.38 1y17 s SER 99 CO 0.69 -0.85 0.76 -0.54 1.20 0.00 0.00 173.24 174.50 1y17 s LYS 100 N 2.62 3.43 0.00 5.44 1.02 -1.26 -4.37 119.74 126.63 1y17 s LYS 100 Ca 0.16 -2.73 0.22 0.00 0.02 0.00 0.00 55.97 53.64 1y17 s LYS 100 Cb -0.18 -4.23 0.45 0.00 -0.52 0.00 0.00 37.83 33.35 1y17 s LYS 100 CO 0.13 -1.25 1.40 1.63 -0.92 0.00 0.00 175.35 176.34 1y17 n LYS 101 N 3.40 2.50 -4.66 1.68 5.02 -1.15 -4.20 118.16 120.75 1y17 n LYS 101 Ca 0.15 -2.31 -0.30 0.00 -2.02 0.00 0.00 58.31 53.83 1y17 n LYS 101 Cb 0.42 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 1y17 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y17 s LEU 103 N -1.54 3.72 0.22 0.00 1.43 -1.08 0.07 118.68 121.51 1y17 s LEU 103 Ca 0.14 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 1y17 s LEU 103 Cb -0.10 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.74 1y17 s LEU 103 CO 0.05 0.14 0.49 -0.83 0.23 0.00 0.00 176.35 176.43 1y17 s GLY 104 N -2.61 0.26 0.05 -3.19 0.00 -0.55 -2.22 107.32 99.07 1y17 s GLY 104 Ca 0.29 -0.61 0.09 0.00 0.00 0.00 0.00 44.72 44.49 1y17 s GLY 104 CO 0.22 -0.48 -0.23 -1.34 0.00 0.00 0.00 173.10 171.27 1y17 s VAL 105 N -3.95 2.41 0.18 1.40 -7.23 -0.41 -1.15 120.40 111.65 1y17 s VAL 105 Ca 0.16 -1.34 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 1y17 s VAL 105 Cb -0.01 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1y17 s VAL 105 CO 0.04 0.33 -0.15 -2.28 -0.31 0.00 0.00 175.10 172.73 1y17 s HIS 106 N -0.87 2.51 0.40 2.82 5.04 -1.26 -1.50 115.29 122.42 1y17 s HIS 106 Ca 0.13 -0.27 0.12 0.00 -1.54 0.00 0.00 55.06 53.50 1y17 s HIS 106 Cb -0.10 -1.23 0.94 0.00 0.04 0.00 0.00 32.58 32.22 1y17 s HIS 106 CO 0.04 0.50 1.92 -0.22 -2.34 0.00 0.00 174.74 174.64 1y17 h LYS 107 N 3.04 0.52 -0.04 2.88 3.64 -1.84 0.18 116.57 124.96 1y17 h LYS 107 Ca -0.47 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1y17 h LYS 107 Cb 1.20 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1y17 h LYS 107 CO 0.52 0.35 0.04 0.00 -2.27 0.00 0.00 179.45 178.09 1y17 h ALA 108 N 1.63 1.56 -0.43 5.00 0.00 -1.96 0.14 119.26 125.20 1y17 h ALA 108 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1y17 h ALA 108 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1y17 h ALA 108 CO -0.13 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.30 1y17 n THR 109 N -3.79 1.36 -1.13 0.00 -2.24 -0.88 -4.91 114.28 102.69 1y17 n THR 109 Ca -0.02 -1.19 -0.05 0.00 -2.27 0.00 0.00 64.05 60.53 1y17 n THR 109 Cb 0.13 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1y17 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y17 n GLY 110 N 0.58 0.73 2.66 3.38 0.00 0.49 -3.29 105.19 109.74 1y17 n GLY 110 Ca 0.17 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1y17 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y17 n PHE 111 N -2.85 -1.60 0.03 1.61 3.72 0.60 -4.79 117.46 114.18 1y17 n PHE 111 Ca -0.05 0.59 -0.00 0.00 -0.05 0.00 0.00 57.45 57.94 1y17 n PHE 111 Cb 0.16 -3.51 -0.00 0.00 -0.94 0.00 0.00 39.48 35.19 1y17 n PHE 111 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1y17 n ARG 112 N -3.09 0.01 -1.91 -1.08 1.74 -1.21 -4.43 116.66 106.70 1y17 n ARG 112 Ca -0.04 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 1y17 n ARG 112 Cb 0.55 -0.52 -0.02 0.00 -1.02 0.00 0.00 32.46 31.45 1y17 n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1y17 s LYS 113 N -2.02 4.20 -0.34 5.56 -0.14 -1.26 -4.95 119.74 120.79 1y17 s LYS 113 Ca -0.01 2.43 -0.26 0.00 -1.36 0.00 0.00 55.97 56.77 1y17 s LYS 113 Cb 0.00 -3.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.11 1y17 s LYS 113 CO 0.01 -0.48 0.92 -1.58 -0.76 0.00 0.00 175.35 173.46 1y17 s TRP 114 N -0.33 3.13 0.06 3.18 0.51 -1.26 -4.38 118.94 119.85 1y17 s TRP 114 Ca 0.58 0.87 0.05 0.00 -2.12 0.00 0.00 56.10 55.48 1y17 s TRP 114 Cb -0.44 -3.55 -0.04 0.00 -0.81 0.00 0.00 33.47 28.63 1y17 s TRP 114 CO 0.49 -0.75 -0.05 -1.21 -0.51 0.00 0.00 176.95 174.93 1y17 s GLU 115 N 3.38 2.46 0.08 4.98 2.02 -0.30 -4.93 118.70 126.39 1y17 s GLU 115 Ca 0.38 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 1y17 s GLU 115 Cb -0.13 -2.48 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 1y17 s GLU 115 CO 0.16 0.56 0.80 -0.80 0.02 0.00 0.00 175.26 176.00 1y17 s ASN 116 N -1.94 7.30 0.03 -0.19 -0.87 -1.26 -1.48 114.94 116.53 1y17 s ASN 116 Ca 0.21 1.55 -0.01 0.00 -1.57 0.00 0.00 52.86 53.04 1y17 s ASN 116 Cb -0.11 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 1y17 s ASN 116 CO 0.13 0.05 -0.02 -0.36 -2.57 0.00 0.00 177.10 174.33 1y17 s PHE 117 N -0.31 0.36 -0.08 2.20 0.08 0.11 -4.95 117.98 115.39 1y17 s PHE 117 Ca 0.39 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1y17 s PHE 117 Cb -0.22 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.92 1y17 s PHE 117 CO 0.25 -0.28 1.64 -0.47 -0.10 0.00 0.00 175.22 176.26 1y17 s TYR 118 N -2.51 2.03 0.60 0.36 5.04 -1.26 -2.10 117.35 119.51 1y17 s TYR 118 Ca -0.06 0.28 0.29 0.00 -2.44 0.00 0.00 57.07 55.14 1y17 s TYR 118 Cb -0.02 -3.90 1.48 0.00 0.35 0.00 0.00 41.96 39.86 1y17 s TYR 118 CO -0.05 -3.63 1.88 0.00 -1.34 0.00 0.00 175.55 172.42 1y17 n GLU 120 N -3.57 1.50 -2.45 0.00 -0.58 -1.26 -2.39 120.64 111.90 1y17 n GLU 120 Ca 0.07 -0.75 -0.35 0.00 -0.42 0.00 0.00 57.16 55.70 1y17 n GLU 120 Cb 0.64 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 30.11 1y17 n GLU 120 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1y17 s GLN 121 N -1.87 3.83 -0.24 3.49 -0.21 -0.89 -4.77 119.66 119.00 1y17 s GLN 121 Ca 0.32 1.52 -0.18 0.00 0.02 0.00 0.00 55.36 57.05 1y17 s GLN 121 Cb 0.17 -2.27 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 1y17 s GLN 121 CO 0.26 -0.43 0.49 1.03 -2.12 0.00 0.00 175.29 174.52 1y17 s ARG 122 N -2.92 4.11 0.13 2.91 3.00 -1.26 -3.81 118.95 121.10 1y17 s ARG 122 Ca 0.65 0.31 -0.14 0.00 0.00 0.00 0.00 55.73 56.55 1y17 s ARG 122 Cb -0.21 -3.61 0.02 0.00 0.00 0.00 0.00 34.95 31.14 1y17 s ARG 122 CO 0.26 -0.26 0.37 -0.51 0.00 0.00 0.00 175.30 175.16 1y17 s ASP 123 N 1.39 -0.15 1.14 0.23 1.11 -0.17 -4.65 116.67 115.57 1y17 s ASP 123 Ca 0.21 -0.45 -0.14 0.00 0.18 0.00 0.00 52.55 52.34 1y17 s ASP 123 Cb -0.15 0.46 0.26 0.00 1.07 0.00 0.00 42.92 44.56 1y17 s ASP 123 CO 0.09 -0.87 1.05 -2.84 1.18 0.00 0.00 175.17 173.79 1y17 s PRO 124 N -3.84 -0.73 0.39 8.23 0.02 -1.24 -1.80 135.00 136.04 1y17 s PRO 124 Ca 0.06 0.51 -0.14 0.00 0.02 0.00 0.00 61.00 61.44 1y17 s PRO 124 Cb 0.02 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.99 1y17 s PRO 124 CO -0.09 -3.51 0.77 1.97 -0.33 0.00 0.00 177.00 175.81 1y17 n PHE 125 N -4.72 -2.32 -4.13 6.54 -1.74 -1.15 -1.48 117.46 108.47 1y17 n PHE 125 Ca 0.06 -1.86 -0.19 0.00 -0.56 0.00 0.00 57.45 54.90 1y17 n PHE 125 Cb 0.57 0.90 -0.16 0.00 1.52 0.00 0.00 39.48 42.31 1y17 n PHE 125 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1y17 s VAL 126 N -2.14 0.45 0.01 1.97 1.01 -1.25 -1.55 120.40 118.89 1y17 s VAL 126 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1y17 s VAL 126 Cb -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1y17 s VAL 126 CO 0.12 0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.57 1y17 s GLU 128 N -2.03 0.87 0.00 0.00 2.12 0.14 -1.74 118.70 118.05 1y17 s GLU 128 Ca 0.28 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1y17 s GLU 128 Cb -0.13 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.43 1y17 s GLU 128 CO 0.20 0.22 0.06 0.00 -0.54 0.00 0.00 175.26 175.20