#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y17 s PRO 3 N -3.94 2.93 0.43 0.00 0.02 -1.26 -4.86 135.00 128.32 1y17 s PRO 3 Ca 0.32 1.99 0.25 0.00 0.02 0.00 0.00 61.00 63.58 1y17 s PRO 3 Cb 0.07 -2.01 1.26 0.00 0.02 0.00 0.00 34.50 33.84 1y17 s PRO 3 CO 0.11 -1.28 1.72 0.66 -0.33 0.00 0.00 177.00 177.88 1y17 h SER 4 N 0.99 0.33 -0.15 2.53 4.64 -2.04 0.83 113.55 120.68 1y17 h SER 4 Ca -0.51 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1y17 h SER 4 Cb 1.31 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1y17 h SER 4 CO 0.55 -0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.60 1y17 n ASP 5 N -4.59 0.89 -4.48 4.97 5.75 -1.26 -4.85 116.55 112.97 1y17 n ASP 5 Ca 0.30 -1.88 -0.24 0.00 -0.01 0.00 0.00 54.79 52.96 1y17 n ASP 5 Cb 1.11 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 41.01 1y17 n ASP 5 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1y17 s TRP 6 N -1.81 2.27 -0.06 2.11 0.52 0.28 -4.86 118.94 117.40 1y17 s TRP 6 Ca 0.17 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1y17 s TRP 6 Cb 0.09 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 1y17 s TRP 6 CO 0.12 0.63 -0.20 -1.12 0.02 0.00 0.00 176.95 176.40 1y17 s SER 7 N -3.53 3.48 0.18 2.95 0.01 0.86 -4.75 113.70 112.90 1y17 s SER 7 Ca 0.30 -0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 1y17 s SER 7 Cb -0.02 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1y17 s SER 7 CO 0.15 0.28 0.36 -0.94 0.41 0.00 0.00 173.24 173.50 1y17 s SER 8 N -0.37 6.38 -0.30 2.44 1.04 -1.26 0.26 113.70 121.90 1y17 s SER 8 Ca 0.03 0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1y17 s SER 8 Cb -0.12 -1.99 0.16 0.00 0.10 0.00 0.00 66.02 64.17 1y17 s SER 8 CO 0.02 -0.01 0.96 -0.47 0.98 0.00 0.00 173.24 174.72 1y17 s TYR 9 N -1.81 -0.74 -1.19 5.02 5.04 -0.65 -4.98 117.35 118.05 1y17 s TYR 9 Ca 0.38 1.23 -0.26 0.00 -2.44 0.00 0.00 57.07 55.97 1y17 s TYR 9 Cb -0.11 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.64 1y17 s TYR 9 CO 0.29 -0.37 0.72 0.39 -1.34 0.00 0.00 175.55 175.24 1y17 n GLU 10 N 5.05 -0.86 -0.99 4.97 -0.58 -1.26 -1.37 120.64 125.61 1y17 n GLU 10 Ca -0.09 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1y17 n GLU 10 Cb 0.52 -3.44 0.00 0.00 -0.57 0.00 0.00 31.44 27.95 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 -1.88 0.19 3.47 0.62 0.00 -1.26 -4.98 105.19 101.35 1y17 n GLY 11 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.39 2.27 -0.10 1.61 3.76 -0.47 -1.30 115.29 119.66 1y17 s HIS 12 Ca 0.00 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1y17 s HIS 12 Cb 0.00 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.65 1y17 s HIS 12 CO 0.00 0.66 -0.20 0.00 -0.85 0.00 0.00 174.74 174.36 1y17 s TYR 14 N 0.64 1.83 -0.15 0.00 1.51 0.14 -2.21 117.35 119.11 1y17 s TYR 14 Ca -0.13 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1y17 s TYR 14 Cb -0.16 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.69 1y17 s TYR 14 CO 0.03 0.14 0.35 0.21 -1.11 0.00 0.00 175.55 175.18 1y17 s LYS 15 N -1.45 0.31 0.11 -0.62 2.20 -0.75 -0.10 119.74 119.44 1y17 s LYS 15 Ca 0.07 0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 1y17 s LYS 15 Cb -0.09 0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.17 1y17 s LYS 15 CO 0.03 -0.19 0.44 -2.14 -0.36 0.00 0.00 175.35 173.13 1y17 s PRO 16 N 1.66 3.79 0.03 4.03 0.02 -1.26 -0.39 135.00 142.88 1y17 s PRO 16 Ca -0.07 0.22 0.05 0.00 0.02 0.00 0.00 61.00 61.22 1y17 s PRO 16 Cb -0.10 -2.94 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 1y17 s PRO 16 CO -0.11 0.51 -0.15 -0.06 -0.33 0.00 0.00 177.00 176.86 1y17 s PHE 17 N -1.47 1.33 -0.28 6.54 0.40 -0.44 -4.99 117.98 119.06 1y17 s PHE 17 Ca 0.36 -0.33 0.16 0.00 -0.60 0.00 0.00 56.93 56.52 1y17 s PHE 17 Cb -0.14 -0.80 0.53 0.00 0.51 0.00 0.00 43.02 43.12 1y17 s PHE 17 CO 0.19 0.03 1.43 0.27 0.70 0.00 0.00 175.22 177.84 1y17 n ASN 18 N 2.10 3.91 -4.60 1.36 6.94 -1.26 -2.94 115.26 120.77 1y17 n ASN 18 Ca -0.17 -2.89 -0.43 0.00 -0.02 0.00 0.00 54.58 51.07 1y17 n ASN 18 Cb 0.55 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 37.43 1y17 n ASN 18 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1y17 s GLU 19 N -2.60 3.69 -0.28 -3.83 2.02 -1.26 -4.93 118.70 111.51 1y17 s GLU 19 Ca 0.41 0.59 -0.29 0.00 0.02 0.00 0.00 54.97 55.70 1y17 s GLU 19 Cb 0.32 -3.93 -0.07 0.00 0.10 0.00 0.00 34.13 30.56 1y17 s GLU 19 CO 0.10 -1.42 2.25 -0.35 0.02 0.00 0.00 175.26 175.86 1y17 n PRO 20 N 7.91 1.67 -4.07 0.39 -0.04 -1.26 -4.77 135.00 134.82 1y17 n PRO 20 Ca 0.12 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1y17 n PRO 20 Cb 0.49 -3.09 -0.11 0.00 -0.04 0.00 0.00 33.50 30.75 1y17 n PRO 20 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1y17 s LYS 21 N 6.58 0.57 0.84 0.54 1.02 -0.83 -4.83 119.74 123.62 1y17 s LYS 21 Ca 1.03 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.98 1y17 s LYS 21 Cb -0.43 -0.14 0.10 0.00 -0.52 0.00 0.00 37.83 36.84 1y17 s LYS 21 CO 0.37 -0.00 1.16 0.54 -0.92 0.00 0.00 175.35 176.49 1y17 s ASN 22 N -2.05 4.18 0.14 2.83 2.20 -1.26 -2.03 114.94 118.96 1y17 s ASN 22 Ca -0.04 0.89 -0.26 0.00 -0.94 0.00 0.00 52.86 52.51 1y17 s ASN 22 Cb -0.04 -1.43 -0.00 0.00 -2.00 0.00 0.00 41.25 37.77 1y17 s ASN 22 CO -0.02 -2.12 1.60 -0.25 -2.94 0.00 0.00 177.10 173.36 1y17 h TRP 23 N -1.21 -0.96 -0.27 1.54 7.01 -1.70 0.49 115.95 120.85 1y17 h TRP 23 Ca -0.48 0.05 0.05 0.00 2.11 0.00 0.00 58.89 60.62 1y17 h TRP 23 Cb 1.32 0.45 -0.05 0.00 -2.10 0.00 0.00 29.16 28.79 1y17 h TRP 23 CO 0.32 -0.41 -0.02 0.00 -2.79 0.00 0.00 178.44 175.54 1y17 h ALA 24 N 0.46 0.22 -0.31 2.65 0.00 -1.94 -0.54 119.26 119.81 1y17 h ALA 24 Ca 0.11 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1y17 h ALA 24 Cb 0.56 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1y17 h ALA 24 CO -0.42 -0.43 -0.08 -0.44 0.00 0.00 0.00 179.25 177.88 1y17 h ASP 25 N 0.06 0.49 0.58 0.00 3.32 -1.87 -1.96 116.42 117.04 1y17 h ASP 25 Ca 0.13 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1y17 h ASP 25 Cb 0.18 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1y17 h ASP 25 CO -0.24 0.61 -0.28 0.00 -1.72 0.00 0.00 179.24 177.62 1y17 h ALA 26 N 1.44 -0.78 0.24 3.45 0.00 -0.01 -0.02 119.26 123.59 1y17 h ALA 26 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y17 h ALA 26 Cb 0.43 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1y17 h ALA 26 CO 0.02 -0.89 -0.48 1.49 0.00 0.00 0.00 179.25 179.40 1y17 h GLU 27 N -0.87 -0.75 -0.89 0.00 4.57 -1.01 -0.66 114.58 114.96 1y17 h GLU 27 Ca -0.08 0.05 0.22 0.00 -1.18 0.00 0.00 59.36 58.37 1y17 h GLU 27 Cb 0.63 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.27 1y17 h GLU 27 CO 0.13 -0.50 0.39 -0.97 -1.18 0.00 0.00 179.01 176.88 1y17 h ASN 28 N -0.78 0.32 -0.60 1.04 -1.24 -1.36 0.20 115.58 113.15 1y17 h ASN 28 Ca -0.03 0.15 0.03 0.00 0.71 0.00 0.00 56.30 57.16 1y17 h ASN 28 Cb 0.74 0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.88 1y17 h ASN 28 CO -0.19 0.00 0.37 0.15 -1.29 0.00 0.00 177.43 176.48 1y17 h PHE 29 N 0.40 0.69 -0.13 0.67 3.57 -0.05 -2.36 116.94 119.73 1y17 h PHE 29 Ca 0.55 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 1y17 h PHE 29 Cb 1.04 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1y17 h PHE 29 CO -0.14 0.40 0.02 0.00 -2.23 0.00 0.00 178.31 176.36 1y17 h THR 31 N 0.19 1.02 -0.36 0.00 1.35 -0.96 -2.85 112.91 111.30 1y17 h THR 31 Ca 0.05 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1y17 h THR 31 Cb 0.09 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1y17 h THR 31 CO -0.00 0.35 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 1y17 n GLN 32 N -3.78 2.14 0.10 4.72 10.64 -1.02 -3.90 117.38 126.28 1y17 n GLN 32 Ca -0.01 -1.74 0.07 0.00 -1.83 0.00 0.00 57.00 53.49 1y17 n GLN 32 Cb 0.43 -1.44 -0.00 0.00 -0.86 0.00 0.00 30.24 28.38 1y17 n GLN 32 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1y17 h GLN 33 N 3.23 0.00 -1.71 2.61 1.08 -1.50 -3.48 115.11 115.34 1y17 h GLN 33 Ca 0.00 0.00 0.24 0.00 -1.45 0.00 0.00 58.65 57.44 1y17 h GLN 33 Cb 0.72 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.00 1y17 h GLN 33 CO 0.00 0.14 0.72 -1.58 -0.95 0.00 0.00 178.83 177.16 1y17 s HIS 34 N -3.17 -0.15 0.14 2.96 2.46 -1.25 -5.08 115.29 111.21 1y17 s HIS 34 Ca 0.00 0.04 -0.30 0.00 0.47 0.00 0.00 55.06 55.27 1y17 s HIS 34 Cb 0.08 0.54 -0.07 0.00 -0.13 0.00 0.00 32.58 33.00 1y17 s HIS 34 CO 0.78 -0.35 1.20 0.99 -2.47 0.00 0.00 174.74 174.88 1y17 s THR 35 N -2.64 3.72 -0.27 0.89 2.01 -1.26 -2.99 115.64 115.10 1y17 s THR 35 Ca 0.10 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1y17 s THR 35 Cb 0.01 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1y17 s THR 35 CO -0.04 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1y17 n GLY 36 N 2.57 0.56 3.79 4.40 0.00 -1.26 -4.84 105.19 110.40 1y17 n GLY 36 Ca 0.06 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1y17 n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y17 s SER 37 N -2.36 7.25 0.32 1.61 0.15 -1.16 -4.45 113.70 115.05 1y17 s SER 37 Ca 0.00 1.48 -0.06 0.00 0.70 0.00 0.00 55.95 58.08 1y17 s SER 37 Cb 0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1y17 s SER 37 CO 0.00 0.23 0.48 -1.00 1.20 0.00 0.00 173.24 174.15 1y17 s HIS 38 N -1.15 0.85 0.55 3.44 3.76 -0.34 -3.28 115.29 119.12 1y17 s HIS 38 Ca 0.33 -1.14 -0.21 0.00 -0.15 0.00 0.00 55.06 53.90 1y17 s HIS 38 Cb -0.21 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 1y17 s HIS 38 CO 0.23 -1.11 1.27 -0.51 -0.85 0.00 0.00 174.74 173.78 1y17 s LEU 39 N -3.17 3.81 0.56 0.89 1.43 -1.26 -0.29 118.68 120.65 1y17 s LEU 39 Ca 0.28 2.56 -0.20 0.00 -1.03 0.00 0.00 54.13 55.74 1y17 s LEU 39 Cb -0.00 -4.38 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 1y17 s LEU 39 CO 0.17 -1.48 1.04 0.55 0.23 0.00 0.00 176.35 176.86 1y17 n VAL 40 N -1.14 3.53 -4.65 -1.59 3.14 -0.15 -4.34 118.33 113.11 1y17 n VAL 40 Ca 0.11 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.77 1y17 n VAL 40 Cb 0.47 -1.24 -0.15 0.00 -1.06 0.00 0.00 33.84 31.86 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 -1.10 1.73 -0.24 6.55 1.04 -1.26 -0.25 113.70 120.16 1y17 s SER 41 Ca 0.73 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 1y17 s SER 41 Cb -0.44 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.48 1y17 s SER 41 CO 0.49 0.17 0.02 -0.36 0.98 0.00 0.00 173.24 174.54 1y17 s PHE 42 N -0.39 3.04 -1.60 5.02 0.08 -1.26 -4.94 117.98 117.93 1y17 s PHE 42 Ca 0.05 -0.74 0.16 0.00 0.12 0.00 0.00 56.93 56.53 1y17 s PHE 42 Cb -0.06 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1y17 s PHE 42 CO -0.00 -0.48 0.89 1.04 -0.10 0.00 0.00 175.22 176.57 1y17 n GLN 43 N 4.86 1.60 -3.66 0.44 3.00 -1.26 -5.02 117.38 117.33 1y17 n GLN 43 Ca -0.17 -0.98 -0.07 0.00 -0.01 0.00 0.00 57.00 55.78 1y17 n GLN 43 Cb 0.51 -1.28 -0.02 0.00 0.00 0.00 0.00 30.24 29.45 1y17 n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1y17 s SER 44 N -1.73 -0.30 0.18 1.08 1.04 -1.26 -5.05 113.70 107.67 1y17 s SER 44 Ca 0.15 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.24 1y17 s SER 44 Cb 0.13 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.86 1y17 s SER 44 CO 0.34 -0.93 1.51 0.74 0.98 0.00 0.00 173.24 175.89 1y17 h THR 45 N 2.00 1.30 -0.55 2.02 2.02 -1.99 -2.19 112.91 115.53 1y17 h THR 45 Ca -0.24 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.25 1y17 h THR 45 Cb 1.25 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 1y17 h THR 45 CO 0.28 0.53 0.28 -0.33 0.37 0.00 0.00 175.52 176.65 1y17 h GLU 46 N 0.53 0.78 -0.61 6.66 3.07 -1.99 0.14 114.58 123.16 1y17 h GLU 46 Ca 0.03 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 1y17 h GLU 46 Cb 1.02 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 1y17 h GLU 46 CO 0.10 0.63 0.23 1.49 -1.40 0.00 0.00 179.01 180.06 1y17 h GLU 47 N 0.74 0.93 -0.41 2.33 4.81 -1.95 -1.01 114.58 120.01 1y17 h GLU 47 Ca 0.19 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1y17 h GLU 47 Cb 0.10 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1y17 h GLU 47 CO -0.03 0.80 0.14 0.00 -0.73 0.00 0.00 179.01 179.19 1y17 h ALA 48 N 1.08 0.53 -0.93 2.92 0.00 -0.90 -1.20 119.26 120.77 1y17 h ALA 48 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y17 h ALA 48 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1y17 h ALA 48 CO -0.01 0.16 0.61 -0.44 0.00 0.00 0.00 179.25 179.57 1y17 h ASP 49 N 0.51 1.04 -0.00 0.00 3.32 -0.53 -1.15 116.42 119.60 1y17 h ASP 49 Ca 0.13 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1y17 h ASP 49 Cb 0.24 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1y17 h ASP 49 CO -0.01 0.74 0.00 0.15 -1.72 0.00 0.00 179.24 178.41 1y17 h PHE 50 N 1.22 0.00 -0.56 4.55 3.57 -0.56 -0.90 116.94 124.27 1y17 h PHE 50 Ca 0.35 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 1y17 h PHE 50 Cb -0.09 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1y17 h PHE 50 CO -0.00 0.07 0.04 0.28 -2.23 0.00 0.00 178.31 176.47 1y17 h VAL 51 N -0.07 1.25 0.02 1.41 2.07 -0.96 -1.08 116.25 118.90 1y17 h VAL 51 Ca 0.00 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1y17 h VAL 51 Cb 0.07 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1y17 h VAL 51 CO -0.00 0.38 -0.01 0.58 0.02 0.00 0.00 177.57 178.54 1y17 h VAL 52 N 0.87 1.10 -0.83 2.57 2.07 -1.09 0.20 116.25 121.15 1y17 h VAL 52 Ca 0.17 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1y17 h VAL 52 Cb 0.46 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1y17 h VAL 52 CO 0.02 0.09 0.54 0.50 0.02 0.00 0.00 177.57 178.74 1y17 h LYS 53 N -0.17 0.92 -0.14 1.57 3.64 -1.03 -0.45 116.57 120.90 1y17 h LYS 53 Ca -0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1y17 h LYS 53 Cb 0.17 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1y17 h LYS 53 CO 0.00 0.61 -0.10 1.25 -2.27 0.00 0.00 179.45 178.94 1y17 h LEU 54 N 0.94 0.34 -0.50 5.20 5.85 -0.78 -1.46 115.31 124.90 1y17 h LEU 54 Ca 0.35 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1y17 h LEU 54 Cb 0.17 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1y17 h LEU 54 CO -0.12 0.71 0.17 0.00 -0.34 0.00 0.00 178.44 178.86 1y17 h ALA 55 N 0.64 0.65 -0.11 1.25 0.00 -0.20 -2.09 119.26 119.41 1y17 h ALA 55 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1y17 h ALA 55 Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y17 h ALA 55 CO 0.03 0.30 0.02 0.35 0.00 0.00 0.00 179.25 179.95 1y17 h PHE 56 N 0.68 0.19 -0.26 0.00 3.57 -1.13 -0.99 116.94 118.99 1y17 h PHE 56 Ca 0.16 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1y17 h PHE 56 Cb 0.26 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1y17 h PHE 56 CO 0.01 0.38 0.18 1.96 -2.23 0.00 0.00 178.31 178.61 1y17 h GLN 57 N -0.06 0.10 0.00 1.11 4.20 -1.20 0.78 115.11 120.05 1y17 h GLN 57 Ca 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1y17 h GLN 57 Cb 0.29 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1y17 h GLN 57 CO 0.00 0.06 -0.37 1.15 -0.67 0.00 0.00 178.83 179.00 1y17 h THR 58 N 0.10 0.25 -0.28 -0.54 2.02 -1.18 -3.41 112.91 109.86 1y17 h THR 58 Ca 0.12 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1y17 h THR 58 Cb 0.34 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1y17 h THR 58 CO -0.01 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.45 1y17 n PHE 59 N -4.65 0.56 -3.61 3.16 3.01 -0.39 -5.09 117.46 110.45 1y17 n PHE 59 Ca -0.08 -0.63 0.00 0.00 1.01 0.00 0.00 57.45 57.75 1y17 n PHE 59 Cb 0.24 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1y17 n PHE 59 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1y17 n ASP 60 N 0.05 0.00 -4.71 4.37 8.00 0.27 -4.70 116.55 119.82 1y17 n ASP 60 Ca 0.14 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1y17 n ASP 60 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 1y17 n ASP 60 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1y17 s TYR 61 N 0.00 3.60 -0.07 1.24 5.04 -1.26 -4.09 117.35 121.81 1y17 s TYR 61 Ca 0.00 1.42 -0.30 0.00 -2.44 0.00 0.00 57.07 55.74 1y17 s TYR 61 Cb 0.00 -2.93 0.10 0.00 0.35 0.00 0.00 41.96 39.48 1y17 s TYR 61 CO 0.00 0.04 1.35 0.20 -1.34 0.00 0.00 175.55 175.80 1y17 s GLY 62 N 0.89 -0.19 -0.10 8.97 0.00 -1.26 -5.03 107.32 110.60 1y17 s GLY 62 Ca 0.43 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.25 1y17 s GLY 62 CO 0.22 6.70 -0.04 -0.26 0.00 0.00 0.00 173.10 179.71 1y17 s ILE 63 N -2.01 3.89 -0.06 0.90 -0.00 -1.26 -2.22 121.20 120.45 1y17 s ILE 63 Ca 0.32 -0.39 0.03 0.00 -0.00 0.00 0.00 60.65 60.61 1y17 s ILE 63 Cb -0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 42.46 39.82 1y17 s ILE 63 CO -0.02 0.56 -0.15 -0.36 -0.00 0.00 0.00 174.94 174.97 1y17 s PHE 64 N -0.38 1.60 0.76 1.37 0.40 -0.24 -0.98 117.98 120.52 1y17 s PHE 64 Ca 0.06 -0.54 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 1y17 s PHE 64 Cb -0.12 -1.12 0.06 0.00 0.51 0.00 0.00 43.02 42.34 1y17 s PHE 64 CO 0.02 -0.23 1.16 -1.58 0.70 0.00 0.00 175.22 175.29 1y17 s TRP 65 N 0.36 2.16 0.26 0.36 0.23 -0.05 -1.32 118.94 120.93 1y17 s TRP 65 Ca -0.10 1.63 0.07 0.00 -2.03 0.00 0.00 56.10 55.67 1y17 s TRP 65 Cb -0.14 -3.31 -0.05 0.00 0.03 0.00 0.00 33.47 30.00 1y17 s TRP 65 CO 0.03 -2.33 -0.09 1.41 0.96 0.00 0.00 176.95 176.93 1y17 s MET 66 N -4.27 1.49 0.00 4.98 1.75 -0.80 -4.13 119.30 118.32 1y17 s MET 66 Ca 0.69 -1.73 -0.02 0.00 -1.25 0.00 0.00 55.69 53.38 1y17 s MET 66 Cb -0.24 -1.19 -0.10 0.00 2.84 0.00 0.00 34.83 36.14 1y17 s MET 66 CO 0.49 0.10 2.41 0.41 -0.65 0.00 0.00 175.02 177.78 1y17 n GLY 67 N -0.53 2.49 2.90 2.11 0.00 0.66 -4.73 105.19 108.10 1y17 n GLY 67 Ca -0.06 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1y17 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y17 s LEU 68 N 0.00 1.17 0.09 0.99 2.96 -1.26 -5.00 118.68 117.64 1y17 s LEU 68 Ca 0.25 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1y17 s LEU 68 Cb 0.12 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1y17 s LEU 68 CO 0.00 -0.11 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.91 1y17 s SER 69 N 1.65 1.13 -1.42 3.68 1.04 -1.26 -2.01 113.70 116.51 1y17 s SER 69 Ca 0.04 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1y17 s SER 69 Cb -0.13 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.09 1y17 s SER 69 CO -0.07 -0.41 0.53 0.29 0.98 0.00 0.00 173.24 174.56 1y17 n LYS 70 N 0.22 -3.71 0.30 4.02 5.02 -0.43 -4.86 118.16 118.72 1y17 n LYS 70 Ca -0.14 0.45 0.16 0.00 -2.02 0.00 0.00 58.31 56.76 1y17 n LYS 70 Cb 0.60 -4.75 0.92 0.00 -0.02 0.00 0.00 35.03 31.77 1y17 n LYS 70 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1y17 h ILE 71 N -1.83 0.42 0.00 -0.18 3.07 -1.78 -3.14 117.51 114.07 1y17 h ILE 71 Ca -0.62 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.63 1y17 h ILE 71 Cb 1.37 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 1y17 h ILE 71 CO 0.63 0.03 0.00 0.79 -1.05 0.00 0.00 178.15 178.55 1y17 n TRP 72 N -3.62 0.00 0.15 0.16 8.01 -1.26 -4.75 117.44 116.14 1y17 n TRP 72 Ca -0.03 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.32 1y17 n TRP 72 Cb 0.13 0.00 0.74 0.00 -2.01 0.00 0.00 31.31 30.17 1y17 n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1y17 h ASN 73 N 0.00 0.00 -0.43 -0.99 4.21 -1.89 -1.57 115.58 114.90 1y17 h ASN 73 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1y17 h ASN 73 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1y17 h ASN 73 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1y17 n GLN 74 N -4.17 2.46 -1.04 0.81 6.02 -1.26 -4.99 117.38 115.20 1y17 n GLN 74 Ca 0.03 -2.23 -0.29 0.00 -0.01 0.00 0.00 57.00 54.49 1y17 n GLN 74 Cb 0.35 -1.45 0.17 0.00 1.02 0.00 0.00 30.24 30.34 1y17 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y17 s ASN 76 N -3.23 6.84 -0.10 0.00 3.04 -1.26 -5.00 114.94 115.23 1y17 s ASN 76 Ca 0.65 -2.56 -0.30 0.00 0.04 0.00 0.00 52.86 50.70 1y17 s ASN 76 Cb -0.20 -2.35 -0.02 0.00 -1.54 0.00 0.00 41.25 37.14 1y17 s ASN 76 CO 0.59 -0.83 1.07 0.26 -3.04 0.00 0.00 177.10 175.15 1y17 s TRP 77 N 1.61 3.38 -0.01 0.43 0.52 -1.26 -5.03 118.94 118.59 1y17 s TRP 77 Ca 0.33 1.45 -0.07 0.00 0.02 0.00 0.00 56.10 57.83 1y17 s TRP 77 Cb -0.06 -3.27 0.01 0.00 -1.15 0.00 0.00 33.47 29.00 1y17 s TRP 77 CO -0.07 -0.61 0.15 -0.65 0.02 0.00 0.00 176.95 175.79 1y17 s GLN 78 N 2.20 0.42 0.17 4.98 -0.21 -1.26 -4.92 119.66 121.04 1y17 s GLN 78 Ca 0.50 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.35 1y17 s GLN 78 Cb -0.20 0.18 -0.07 0.00 1.00 0.00 0.00 33.01 33.91 1y17 s GLN 78 CO 0.18 -0.09 1.04 -1.58 -2.12 0.00 0.00 175.29 172.72 1y17 s TRP 79 N -1.02 3.70 0.24 0.91 0.52 -1.26 -4.91 118.94 117.11 1y17 s TRP 79 Ca -0.11 1.69 0.35 0.00 0.02 0.00 0.00 56.10 58.05 1y17 s TRP 79 Cb -0.06 -3.18 1.79 0.00 -1.15 0.00 0.00 33.47 30.87 1y17 s TRP 79 CO 0.01 -0.27 2.07 0.66 0.02 0.00 0.00 176.95 179.45 1y17 h SER 80 N 5.10 0.00 -0.57 2.95 4.64 -2.00 0.27 113.55 123.94 1y17 h SER 80 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1y17 h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1y17 h SER 80 CO 0.72 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.22 1y17 n ASN 81 N -2.81 3.03 -1.03 4.97 6.94 -1.26 -4.92 115.26 120.18 1y17 n ASN 81 Ca -0.01 -2.00 -0.12 0.00 -0.02 0.00 0.00 54.58 52.42 1y17 n ASN 81 Cb 0.12 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 1y17 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y17 n ALA 82 N 1.16 -0.22 -1.78 -2.53 0.00 0.08 -5.00 120.51 112.22 1y17 n ALA 82 Ca 0.19 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1y17 n ALA 82 Cb 0.48 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1y17 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y17 s ALA 83 N -2.49 2.94 0.26 0.00 0.00 -1.26 -4.95 121.76 116.26 1y17 s ALA 83 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 1y17 s ALA 83 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1y17 s ALA 83 CO 0.00 -0.39 0.96 1.41 0.00 0.00 0.00 175.76 177.74 1y17 s MET 84 N -2.91 4.77 -0.56 0.00 1.75 -1.26 -4.20 119.30 116.89 1y17 s MET 84 Ca 0.64 1.49 -0.26 0.00 -1.25 0.00 0.00 55.69 56.31 1y17 s MET 84 Cb -0.21 -3.17 0.04 0.00 2.84 0.00 0.00 34.83 34.33 1y17 s MET 84 CO 0.26 0.43 1.07 -1.17 -0.65 0.00 0.00 175.02 174.96 1y17 s LEU 85 N -1.40 3.77 0.04 4.11 2.96 -1.26 -4.76 118.68 122.14 1y17 s LEU 85 Ca 0.43 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1y17 s LEU 85 Cb -0.25 -3.01 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1y17 s LEU 85 CO 0.31 -1.35 0.00 0.29 -1.32 0.00 0.00 176.35 174.28 1y17 n LYS 86 N 7.96 0.00 -2.44 1.98 5.02 -1.26 -5.05 118.16 124.37 1y17 n LYS 86 Ca 0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 1y17 n LYS 86 Cb 0.48 -0.31 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 1y17 n LYS 86 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1y17 s TYR 87 N -2.00 3.14 -0.03 2.13 5.04 -1.26 -5.04 117.35 119.33 1y17 s TYR 87 Ca 0.00 1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 56.11 1y17 s TYR 87 Cb 0.00 -3.23 0.02 0.00 0.35 0.00 0.00 41.96 39.10 1y17 s TYR 87 CO 0.00 -0.94 0.27 0.99 -1.34 0.00 0.00 175.55 174.53 1y17 s THR 88 N -1.59 0.05 -0.42 4.34 2.01 -1.26 -5.06 115.64 113.71 1y17 s THR 88 Ca 0.59 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1y17 s THR 88 Cb -0.25 -0.54 0.35 0.00 0.01 0.00 0.00 72.50 72.08 1y17 s THR 88 CO 0.31 -0.23 1.11 -0.67 -0.69 0.00 0.00 174.62 174.45 1y17 n ASP 89 N 1.66 -1.50 -4.73 3.53 2.03 -1.26 -5.12 116.55 111.15 1y17 n ASP 89 Ca -0.20 -3.22 -0.42 0.00 0.52 0.00 0.00 54.79 51.47 1y17 n ASP 89 Cb 0.56 1.16 -0.03 0.00 -0.72 0.00 0.00 41.12 42.09 1y17 n ASP 89 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1y17 s TRP 90 N -0.38 3.17 0.11 -0.67 0.52 -1.26 -4.91 118.94 115.52 1y17 s TRP 90 Ca 0.25 1.04 -0.12 0.00 0.02 0.00 0.00 56.10 57.30 1y17 s TRP 90 Cb 0.34 -3.71 -0.14 0.00 -1.15 0.00 0.00 33.47 28.81 1y17 s TRP 90 CO -0.06 -2.36 1.31 0.00 0.02 0.00 0.00 176.95 175.86 1y17 h ALA 91 N 5.80 0.33 -4.13 0.98 0.00 -2.04 -3.43 119.26 116.76 1y17 h ALA 91 Ca -0.44 -0.61 -0.59 0.00 0.00 0.00 0.00 54.91 53.27 1y17 h ALA 91 Cb 1.21 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1y17 h ALA 91 CO 0.81 0.69 -0.85 -1.21 0.00 0.00 0.00 179.25 178.70 1y17 s GLU 92 N -3.71 1.80 -0.08 0.00 0.41 -1.26 -5.06 118.70 110.79 1y17 s GLU 92 Ca -0.10 -0.69 -0.27 0.00 -0.41 0.00 0.00 54.97 53.51 1y17 s GLU 92 Cb 0.09 -1.62 -0.23 0.00 -1.78 0.00 0.00 34.13 30.59 1y17 s GLU 92 CO 0.90 0.34 0.98 1.49 -0.49 0.00 0.00 175.26 178.47 1y17 h GLU 93 N 5.97 -0.01 -4.53 1.61 4.81 -2.02 -3.47 114.58 116.94 1y17 h GLU 93 Ca -0.35 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.62 1y17 h GLU 93 Cb 1.16 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.33 1y17 h GLU 93 CO 0.48 0.72 -0.73 -1.12 -0.73 0.00 0.00 179.01 177.63 1y17 s SER 94 N -5.94 0.82 -0.01 1.04 0.01 -1.26 -4.90 113.70 103.46 1y17 s SER 94 Ca -0.17 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.58 1y17 s SER 94 Cb -0.01 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1y17 s SER 94 CO 0.66 -0.22 -0.18 -0.31 0.41 0.00 0.00 173.24 173.60 1y17 s TYR 95 N -1.50 2.58 0.24 2.43 1.51 -1.26 -1.30 117.35 120.04 1y17 s TYR 95 Ca -0.09 -0.25 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1y17 s TYR 95 Cb -0.09 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1y17 s TYR 95 CO 0.00 0.17 -0.13 0.00 -1.11 0.00 0.00 175.55 174.48 1y17 s VAL 97 N -2.93 5.44 0.25 0.00 1.01 -0.85 -1.76 120.40 121.56 1y17 s VAL 97 Ca 0.25 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1y17 s VAL 97 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1y17 s VAL 97 CO 0.09 0.60 0.20 -0.72 0.00 0.00 0.00 175.10 175.28 1y17 s TYR 98 N -0.90 1.33 0.01 5.22 -0.85 -0.36 -1.91 117.35 119.89 1y17 s TYR 98 Ca 0.14 -1.45 -0.08 0.00 -0.52 0.00 0.00 57.07 55.17 1y17 s TYR 98 Cb -0.12 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.65 1y17 s TYR 98 CO 0.03 -0.75 0.15 -0.59 -1.52 0.00 0.00 175.55 172.88 1y17 s PHE 99 N -3.88 0.04 0.14 -3.49 -0.71 -0.43 -1.10 117.98 108.54 1y17 s PHE 99 Ca 0.39 -0.15 -0.17 0.00 -1.04 0.00 0.00 56.93 55.96 1y17 s PHE 99 Cb 0.05 -0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.74 1y17 s PHE 99 CO 0.17 -0.31 0.59 0.15 -1.34 0.00 0.00 175.22 174.48 1y17 s LYS 100 N -1.56 4.10 0.00 1.99 1.02 -1.26 -1.08 119.74 122.95 1y17 s LYS 100 Ca -0.13 0.64 0.08 0.00 0.02 0.00 0.00 55.97 56.58 1y17 s LYS 100 Cb -0.07 -3.02 0.50 0.00 -0.52 0.00 0.00 37.83 34.72 1y17 s LYS 100 CO 0.01 0.51 0.96 -1.13 -0.92 0.00 0.00 175.35 174.78 1y17 n SER 101 N 1.07 0.00 0.05 2.83 3.41 -0.94 -2.27 113.62 117.77 1y17 n SER 101 Ca -0.06 -0.24 -0.22 0.00 -0.26 0.00 0.00 58.87 58.08 1y17 n SER 101 Cb 0.51 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1y17 n SER 101 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1y17 h THR 102 N 0.00 0.93 -4.00 6.66 1.35 -1.89 -3.40 112.91 112.55 1y17 h THR 102 Ca 0.00 -2.46 -0.12 0.00 -0.55 0.00 0.00 66.41 63.28 1y17 h THR 102 Cb 0.00 2.72 -0.12 0.00 -1.73 0.00 0.00 68.15 69.02 1y17 h THR 102 CO 0.00 0.82 -0.36 0.54 -0.25 0.00 0.00 175.52 176.27 1y17 s ASN 103 N -7.19 0.06 -0.01 5.36 2.20 -0.96 -5.06 114.94 109.33 1y17 s ASN 103 Ca -0.18 -1.00 0.06 0.00 -0.94 0.00 0.00 52.86 50.80 1y17 s ASN 103 Cb 0.05 0.44 0.19 0.00 -2.00 0.00 0.00 41.25 39.94 1y17 s ASN 103 CO 0.82 -0.92 1.10 -0.46 -2.94 0.00 0.00 177.10 174.70 1y17 n ASN 104 N -0.25 1.31 -4.72 3.54 0.23 -1.26 -4.02 115.26 110.09 1y17 n ASN 104 Ca -0.04 -2.04 -0.41 0.00 -0.53 0.00 0.00 54.58 51.55 1y17 n ASN 104 Cb 0.63 -0.21 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 1y17 n ASN 104 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1y17 s LYS 105 N -1.69 4.60 0.24 -3.83 -0.14 -1.26 -5.01 119.74 112.66 1y17 s LYS 105 Ca 0.14 1.55 -0.30 0.00 -1.36 0.00 0.00 55.97 56.00 1y17 s LYS 105 Cb 0.08 -3.37 -0.09 0.00 -1.68 0.00 0.00 37.83 32.76 1y17 s LYS 105 CO 0.09 0.04 1.28 -1.58 -0.76 0.00 0.00 175.35 174.42 1y17 s TRP 106 N 0.39 3.25 0.12 3.18 0.52 -1.26 -4.58 118.94 120.55 1y17 s TRP 106 Ca 0.51 1.34 0.05 0.00 0.02 0.00 0.00 56.10 58.01 1y17 s TRP 106 Cb -0.25 -3.58 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 1y17 s TRP 106 CO 0.30 -1.69 -0.12 1.03 0.02 0.00 0.00 176.95 176.49 1y17 s ARG 107 N -0.73 0.97 0.06 4.98 0.52 -0.26 -4.99 118.95 119.50 1y17 s ARG 107 Ca 0.53 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1y17 s ARG 107 Cb -0.37 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.31 1y17 s ARG 107 CO 0.42 0.13 0.17 -1.12 0.02 0.00 0.00 175.30 174.93 1y17 s SER 108 N -2.52 6.13 -0.24 0.23 0.01 -1.26 -1.22 113.70 114.82 1y17 s SER 108 Ca 0.08 0.20 -0.27 0.00 1.31 0.00 0.00 55.95 57.27 1y17 s SER 108 Cb -0.04 -1.83 0.14 0.00 0.21 0.00 0.00 66.02 64.51 1y17 s SER 108 CO 0.02 0.18 1.13 -0.51 0.41 0.00 0.00 173.24 174.47 1y17 s ILE 109 N -1.46 0.00 0.23 1.44 1.10 -0.72 -4.93 121.20 116.86 1y17 s ILE 109 Ca 0.33 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 60.15 1y17 s ILE 109 Cb -0.13 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.35 1y17 s ILE 109 CO 0.25 0.00 1.37 1.07 -2.11 0.00 0.00 174.94 175.52 1y17 n THR 110 N 1.38 0.95 0.24 4.00 5.66 -1.26 0.32 114.28 125.58 1y17 n THR 110 Ca -0.10 -0.24 0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1y17 n THR 110 Cb 0.57 -1.37 0.67 0.00 -1.55 0.00 0.00 70.33 68.64 1y17 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y17 n ARG 112 N -2.42 0.92 -1.29 0.00 1.85 -1.26 -2.98 116.66 111.48 1y17 n ARG 112 Ca -0.01 -0.37 -0.31 0.00 -1.00 0.00 0.00 57.85 56.15 1y17 n ARG 112 Cb 0.09 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.10 1y17 n ARG 112 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1y17 s MET 113 N -2.34 2.22 -0.10 2.89 1.75 -0.74 -4.84 119.30 118.14 1y17 s MET 113 Ca 0.32 1.26 -0.04 0.00 -1.25 0.00 0.00 55.69 55.98 1y17 s MET 113 Cb 0.20 -1.89 -0.04 0.00 2.84 0.00 0.00 34.83 35.95 1y17 s MET 113 CO 0.45 -1.68 0.06 0.42 -0.65 0.00 0.00 175.02 173.61 1y17 s ILE 114 N -2.76 4.81 0.37 10.11 1.09 -1.26 -4.09 121.20 129.46 1y17 s ILE 114 Ca 0.63 -0.06 -0.11 0.00 -1.10 0.00 0.00 60.65 60.01 1y17 s ILE 114 Cb -0.19 -3.06 0.04 0.00 -1.06 0.00 0.00 42.46 38.19 1y17 s ILE 114 CO 0.53 0.61 0.67 0.00 -0.10 0.00 0.00 174.94 176.66 1y17 s ALA 115 N -0.94 -0.21 0.55 9.38 0.00 -0.86 -4.90 121.76 124.79 1y17 s ALA 115 Ca 0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1y17 s ALA 115 Cb -0.12 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1y17 s ALA 115 CO 0.03 -0.92 0.26 0.09 0.00 0.00 0.00 175.76 175.22 1y17 n ASN 116 N -1.38 0.28 -3.73 0.00 3.02 -0.15 -1.97 115.26 111.34 1y17 n ASN 116 Ca -0.05 -1.26 -0.02 0.00 -0.03 0.00 0.00 54.58 53.22 1y17 n ASN 116 Cb 0.60 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 1y17 n ASN 116 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1y17 s PHE 117 N -0.76 -0.11 -0.03 3.10 -0.71 -1.15 -0.87 117.98 117.45 1y17 s PHE 117 Ca 0.17 -0.16 0.04 0.00 -1.04 0.00 0.00 56.93 55.93 1y17 s PHE 117 Cb -0.01 0.62 -0.00 0.00 -1.21 0.00 0.00 43.02 42.42 1y17 s PHE 117 CO 0.11 -0.73 -0.13 0.08 -1.34 0.00 0.00 175.22 173.21 1y17 s VAL 118 N -3.11 1.13 0.22 -2.49 1.01 -1.26 -1.33 120.40 114.57 1y17 s VAL 118 Ca 0.13 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1y17 s VAL 118 Cb -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1y17 s VAL 118 CO 0.01 0.33 0.22 0.00 0.00 0.00 0.00 175.10 175.66 1y17 s GLU 120 N -3.67 0.88 0.08 0.00 2.12 0.60 -1.82 118.70 116.89 1y17 s GLU 120 Ca 0.33 -0.39 -0.26 0.00 0.36 0.00 0.00 54.97 55.01 1y17 s GLU 120 Cb -0.09 0.39 0.08 0.00 0.26 0.00 0.00 34.13 34.77 1y17 s GLU 120 CO 0.26 -0.29 0.67 -0.59 -0.54 0.00 0.00 175.26 174.77 1y17 s PHE 121 N -2.44 -0.53 -0.03 5.30 -0.12 -0.94 -1.20 117.98 118.03 1y17 s PHE 121 Ca -0.06 0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 57.01 1y17 s PHE 121 Cb -0.01 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1y17 s PHE 121 CO -0.02 -0.74 1.01 -1.14 -0.05 0.00 0.00 175.22 174.28 1y17 s GLN 122 N -3.03 4.50 0.00 1.99 0.74 -1.26 -1.56 119.66 121.05 1y17 s GLN 122 Ca -0.01 1.44 0.10 0.00 0.05 0.00 0.00 55.36 56.94 1y17 s GLN 122 Cb -0.01 -3.48 0.57 0.00 1.10 0.00 0.00 33.01 31.19 1y17 s GLN 122 CO -0.07 -0.16 1.02 0.00 -0.55 0.00 0.00 175.29 175.53