#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2q s ARG 2 N 0.00 2.66 -0.07 2.12 1.81 -0.62 -0.63 118.95 124.22 1y2q s ARG 2 Ca 0.00 -0.88 0.03 0.00 -1.72 0.00 0.00 55.73 53.16 1y2q s ARG 2 Cb 0.00 -2.17 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1y2q s ARG 2 CO 0.00 0.32 -0.15 0.08 -0.68 0.00 0.00 175.30 174.87 1y2q s VAL 3 N -0.00 1.33 -0.24 3.52 1.01 0.19 -0.54 120.40 125.66 1y2q s VAL 3 Ca -0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1y2q s VAL 3 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1y2q s VAL 3 CO 0.05 0.40 0.02 -0.22 0.00 0.00 0.00 175.10 175.35 1y2q s LEU 4 N 0.48 3.22 -0.27 3.92 2.96 0.46 -0.89 118.68 128.56 1y2q s LEU 4 Ca -0.13 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1y2q s LEU 4 Cb -0.15 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 1y2q s LEU 4 CO 0.04 -0.03 0.08 -0.76 -1.32 0.00 0.00 176.35 174.36 1y2q s LEU 5 N 1.56 3.60 -0.23 -0.68 1.43 0.27 -0.01 118.68 124.63 1y2q s LEU 5 Ca 0.06 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1y2q s LEU 5 Cb -0.15 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.21 1y2q s LEU 5 CO 0.01 -0.09 -0.04 -0.63 0.23 0.00 0.00 176.35 175.82 1y2q s ILE 6 N 1.58 1.41 -0.22 -0.59 1.01 0.38 -0.36 121.20 124.42 1y2q s ILE 6 Ca 0.05 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 1y2q s ILE 6 Cb -0.16 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1y2q s ILE 6 CO 0.03 -0.10 1.29 -2.28 0.00 0.00 0.00 174.94 173.88 1y2q s HIS 7 N 1.45 2.76 0.01 3.97 5.65 0.51 -1.05 115.29 128.60 1y2q s HIS 7 Ca -0.05 0.94 0.04 0.00 0.25 0.00 0.00 55.06 56.24 1y2q s HIS 7 Cb -0.19 -3.67 -0.02 0.00 -1.18 0.00 0.00 32.58 27.53 1y2q s HIS 7 CO -0.06 -1.75 -0.13 -1.12 -0.65 0.00 0.00 174.74 171.03 1y2q s SER 8 N 2.36 1.51 0.33 9.88 0.01 0.48 -1.71 113.70 126.56 1y2q s SER 8 Ca 0.56 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.53 1y2q s SER 8 Cb -0.20 -0.13 0.60 0.00 0.21 0.00 0.00 66.02 66.50 1y2q s SER 8 CO 0.18 0.08 1.84 0.44 0.41 0.00 0.00 173.24 176.19 1y2q h ASP 9 N 5.38 0.40 -5.01 2.44 3.32 -1.29 -0.09 116.42 121.56 1y2q h ASP 9 Ca -0.35 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1y2q h ASP 9 Cb 1.17 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 1y2q h ASP 9 CO 0.46 0.56 0.09 -0.72 -1.72 0.00 0.00 179.24 177.91 1y2q s TYR 10 N -4.73 -0.47 0.13 4.55 -0.85 -1.26 -0.84 117.35 113.87 1y2q s TYR 10 Ca -0.07 0.53 0.09 0.00 -0.52 0.00 0.00 57.07 57.10 1y2q s TYR 10 Cb 0.15 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1y2q s TYR 10 CO 0.76 -0.68 -0.21 -1.50 -1.52 0.00 0.00 175.55 172.40 1y2q s ILE 11 N -2.54 1.87 -0.18 -3.49 1.10 -0.24 -2.65 121.20 115.07 1y2q s ILE 11 Ca -0.05 -1.72 -0.16 0.00 -0.51 0.00 0.00 60.65 58.21 1y2q s ILE 11 Cb -0.01 -1.74 0.05 0.00 0.15 0.00 0.00 42.46 40.91 1y2q s ILE 11 CO -0.02 -0.12 0.47 -0.70 -2.11 0.00 0.00 174.94 172.46 1y2q s GLU 12 N -2.24 0.55 0.06 3.50 2.12 -0.35 -1.87 118.70 120.48 1y2q s GLU 12 Ca 0.11 0.66 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 1y2q s GLU 12 Cb -0.09 0.27 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 1y2q s GLU 12 CO 0.06 -0.07 0.07 1.52 -0.54 0.00 0.00 175.26 176.30 1y2q s TYR 13 N 0.26 0.33 -0.09 5.30 -0.85 -0.70 -0.66 117.35 120.94 1y2q s TYR 13 Ca -0.00 -0.78 -0.03 0.00 -0.52 0.00 0.00 57.07 55.74 1y2q s TYR 13 Cb -0.03 -0.22 0.05 0.00 0.38 0.00 0.00 41.96 42.13 1y2q s TYR 13 CO 0.00 -0.42 0.14 -2.00 -1.52 0.00 0.00 175.55 171.75 1y2q s GLU 14 N -3.55 0.03 0.21 -3.49 2.56 -0.62 -2.37 118.70 111.47 1y2q s GLU 14 Ca 0.03 0.45 -0.31 0.00 0.00 0.00 0.00 54.97 55.14 1y2q s GLU 14 Cb 0.05 -0.53 -0.10 0.00 2.00 0.00 0.00 34.13 35.55 1y2q s GLU 14 CO -0.09 -0.37 1.51 0.08 -0.56 0.00 0.00 175.26 175.83 1y2q s VAL 15 N 2.26 2.63 0.00 3.70 1.01 0.41 -1.44 120.40 128.97 1y2q s VAL 15 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1y2q s VAL 15 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1y2q s VAL 15 CO -0.06 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.39 1y2q n LYS 16 N 3.12 0.57 -1.54 2.72 5.02 0.63 -4.92 118.16 123.76 1y2q n LYS 16 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1y2q n LYS 16 Cb 0.39 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.48 1y2q n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1y2q s ASP 17 N 0.60 4.66 0.27 4.39 1.01 -1.26 -4.68 116.67 121.66 1y2q s ASP 17 Ca 0.00 2.08 -0.29 0.00 0.71 0.00 0.00 52.55 55.04 1y2q s ASP 17 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1y2q s ASP 17 CO 0.00 -1.94 1.05 -1.59 0.21 0.00 0.00 175.17 172.90 1y2q s LYS 18 N -4.19 4.68 -0.02 8.23 -2.85 -1.26 -0.48 119.74 123.85 1y2q s LYS 18 Ca 0.68 1.69 0.16 0.00 -1.00 0.00 0.00 55.97 57.50 1y2q s LYS 18 Cb -0.22 -3.18 -0.23 0.00 -2.06 0.00 0.00 37.83 32.14 1y2q s LYS 18 CO 0.45 0.29 0.44 0.00 0.10 0.00 0.00 175.35 176.63 1y2q n ALA 19 N 1.20 3.01 -2.42 0.59 0.00 0.86 -4.77 120.51 118.99 1y2q n ALA 19 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1y2q n ALA 19 Cb 0.46 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 1y2q n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y2q s LEU 20 N -3.72 2.51 0.12 0.00 1.43 -1.07 -5.00 118.68 112.96 1y2q s LEU 20 Ca -0.02 -1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 51.90 1y2q s LEU 20 Cb 0.11 -0.69 -0.14 0.00 0.03 0.00 0.00 46.19 45.51 1y2q s LEU 20 CO 0.66 -0.28 1.27 0.50 0.23 0.00 0.00 176.35 178.73 1y2q h LYS 21 N 2.32 0.30 -2.34 1.70 1.63 -1.92 -3.37 116.57 114.88 1y2q h LYS 21 Ca -0.40 -0.38 -0.64 0.00 -0.85 0.00 0.00 60.65 58.38 1y2q h LYS 21 Cb 1.23 0.12 -0.39 0.00 -0.60 0.00 0.00 32.23 32.59 1y2q h LYS 21 CO 0.66 1.10 -0.30 0.09 -3.45 0.00 0.00 179.45 177.55 1y2q n ASN 22 N -3.64 4.35 -3.36 4.20 3.02 -1.26 -5.09 115.26 113.47 1y2q n ASN 22 Ca -0.06 -3.44 -0.22 0.00 -0.03 0.00 0.00 54.58 50.83 1y2q n ASN 22 Cb 0.89 -0.80 0.16 0.00 -0.61 0.00 0.00 39.78 39.43 1y2q n ASN 22 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1y2q n PRO 23 N 0.94 -1.48 -2.06 3.52 -0.04 -1.26 -4.97 135.00 129.65 1y2q n PRO 23 Ca 0.29 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 61.89 1y2q n PRO 23 Cb 0.39 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1y2q n PRO 23 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1y2q s GLU 24 N -5.04 4.26 0.20 0.54 2.12 -0.83 -4.97 118.70 114.99 1y2q s GLU 24 Ca 0.55 2.20 -0.32 0.00 0.36 0.00 0.00 54.97 57.75 1y2q s GLU 24 Cb -0.03 -3.34 -0.12 0.00 0.26 0.00 0.00 34.13 30.91 1y2q s GLU 24 CO 0.39 -0.57 1.72 -1.25 -0.54 0.00 0.00 175.26 175.02 1y2q s PRO 25 N 1.60 4.13 0.11 4.30 0.04 -1.26 -4.86 135.00 139.06 1y2q s PRO 25 Ca 0.68 2.60 0.09 0.00 0.04 0.00 0.00 61.00 64.41 1y2q s PRO 25 Cb -0.39 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1y2q s PRO 25 CO 0.30 -0.75 -0.23 0.96 0.04 0.00 0.00 177.00 177.32 1y2q s ILE 26 N 1.21 1.92 0.55 0.56 -4.36 -1.26 -5.09 121.20 114.72 1y2q s ILE 26 Ca 0.75 -1.59 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 1y2q s ILE 26 Cb -0.49 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 41.54 1y2q s ILE 26 CO 0.32 0.03 0.76 -0.94 0.24 0.00 0.00 174.94 175.35 1y2q s SER 27 N -1.88 5.24 0.37 4.36 1.04 -1.26 -5.00 113.70 116.57 1y2q s SER 27 Ca 0.09 -0.16 0.08 0.00 0.48 0.00 0.00 55.95 56.44 1y2q s SER 27 Cb -0.10 -0.70 0.72 0.00 0.10 0.00 0.00 66.02 66.04 1y2q s SER 27 CO 0.05 -1.16 1.90 -0.08 0.98 0.00 0.00 173.24 174.93 1y2q h GLU 28 N 0.12 0.34 0.00 4.02 4.57 -2.02 -1.19 114.58 120.42 1y2q h GLU 28 Ca -0.41 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1y2q h GLU 28 Cb 1.29 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1y2q h GLU 28 CO 0.49 0.44 -0.16 0.22 -1.18 0.00 0.00 179.01 178.82 1y2q h ASP 29 N 0.33 0.00 1.23 1.04 1.82 -1.95 -3.14 116.42 115.74 1y2q h ASP 29 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1y2q h ASP 29 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1y2q h ASP 29 CO 0.02 0.16 0.00 0.23 -1.61 0.00 0.00 179.24 178.04 1y2q n MET 30 N -3.47 0.14 0.00 0.28 2.81 -0.45 -3.78 117.12 112.66 1y2q n MET 30 Ca -0.01 0.13 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 1y2q n MET 30 Cb 0.32 -1.67 0.55 0.00 -0.71 0.00 0.00 33.22 31.71 1y2q n MET 30 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1y2q n LYS 31 N -1.93 0.17 -3.72 0.03 2.85 -1.19 -4.63 118.16 109.74 1y2q n LYS 31 Ca 0.06 -0.04 -0.10 0.00 -1.05 0.00 0.00 58.31 57.17 1y2q n LYS 31 Cb 0.38 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.20 1y2q n LYS 31 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1y2q s ARG 32 N -2.86 0.94 -0.13 -1.58 1.70 -1.25 -0.45 118.95 115.33 1y2q s ARG 32 Ca 0.17 -0.71 -0.31 0.00 -0.47 0.00 0.00 55.73 54.41 1y2q s ARG 32 Cb 0.19 0.41 0.13 0.00 -0.57 0.00 0.00 34.95 35.10 1y2q s ARG 32 CO 0.55 -0.34 1.05 0.20 -1.08 0.00 0.00 175.30 175.69 1y2q s GLY 33 N -2.61 -0.31 -0.18 3.88 0.00 -1.00 -4.94 107.32 102.16 1y2q s GLY 33 Ca 0.01 1.63 -0.13 0.00 0.00 0.00 0.00 44.72 46.24 1y2q s GLY 33 CO -0.09 0.66 0.46 -1.60 0.00 0.00 0.00 173.10 172.53 1y2q s ARG 34 N -2.15 0.48 0.11 2.90 3.52 -1.26 -1.72 118.95 120.82 1y2q s ARG 34 Ca 0.05 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.48 1y2q s ARG 34 Cb -0.01 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1y2q s ARG 34 CO -0.05 -0.12 -0.14 -1.64 -0.81 0.00 0.00 175.30 172.54 1y2q s MET 35 N 0.97 0.97 0.26 5.12 -1.94 -0.78 -5.00 119.30 118.90 1y2q s MET 35 Ca -0.06 -1.16 0.11 0.00 -1.71 0.00 0.00 55.69 52.87 1y2q s MET 35 Cb -0.06 -0.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.83 1y2q s MET 35 CO -0.08 0.18 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.76 1y2q s GLU 36 N -2.40 1.86 -1.02 2.03 2.02 -1.26 -1.08 118.70 118.86 1y2q s GLU 36 Ca 0.06 -1.61 -0.13 0.00 0.02 0.00 0.00 54.97 53.31 1y2q s GLU 36 Cb -0.06 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1y2q s GLU 36 CO 0.03 0.35 0.78 -1.91 0.02 0.00 0.00 175.26 174.53 1y2q n GLU 37 N -0.56 -1.41 -3.94 1.61 4.07 -0.02 -4.84 120.64 115.54 1y2q n GLU 37 Ca -0.07 0.73 -0.15 0.00 -0.06 0.00 0.00 57.16 57.62 1y2q n GLU 37 Cb 0.59 -4.42 -0.15 0.00 -0.06 0.00 0.00 31.44 27.40 1y2q n GLU 37 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1y2q s VAL 38 N -3.32 0.14 -0.46 6.31 0.11 -0.06 -4.09 120.40 119.03 1y2q s VAL 38 Ca 0.34 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.14 1y2q s VAL 38 Cb -0.11 -0.17 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1y2q s VAL 38 CO 0.83 0.08 0.86 -0.22 -3.33 0.00 0.00 175.10 173.31 1y2q s LEU 39 N 0.37 4.13 -0.19 2.54 2.96 -0.20 -0.38 118.68 127.91 1y2q s LEU 39 Ca -0.03 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.65 1y2q s LEU 39 Cb -0.06 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1y2q s LEU 39 CO -0.01 -1.00 0.65 -0.69 -1.32 0.00 0.00 176.35 173.99 1y2q s VAL 40 N 3.54 5.00 -0.50 1.68 1.01 -0.21 -1.17 120.40 129.76 1y2q s VAL 40 Ca 0.33 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.46 1y2q s VAL 40 Cb -0.11 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.43 1y2q s VAL 40 CO 0.24 0.10 0.37 0.00 0.00 0.00 0.00 175.10 175.81 1y2q s ALA 41 N 1.92 3.43 -0.24 5.51 0.00 0.76 -0.47 121.76 132.68 1y2q s ALA 41 Ca 0.30 -2.63 -0.29 0.00 0.00 0.00 0.00 51.96 49.34 1y2q s ALA 41 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1y2q s ALA 41 CO 0.11 -1.93 1.07 -0.06 0.00 0.00 0.00 175.76 174.94 1y2q s PHE 42 N 1.20 3.26 -0.14 0.00 0.08 0.98 -0.90 117.98 122.46 1y2q s PHE 42 Ca 0.07 1.38 0.02 0.00 0.12 0.00 0.00 56.93 58.52 1y2q s PHE 42 Cb -0.25 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 38.84 1y2q s PHE 42 CO -0.01 -0.65 -0.19 0.42 -0.10 0.00 0.00 175.22 174.69 1y2q s ILE 43 N 3.32 1.88 -0.35 0.64 1.01 -0.40 -0.40 121.20 126.90 1y2q s ILE 43 Ca 0.45 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1y2q s ILE 43 Cb -0.15 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1y2q s ILE 43 CO 0.09 0.51 0.19 -0.44 0.00 0.00 0.00 174.94 175.29 1y2q s SER 44 N 0.96 5.69 -0.09 3.58 0.01 0.29 -1.05 113.70 123.10 1y2q s SER 44 Ca -0.05 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.13 1y2q s SER 44 Cb -0.15 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1y2q s SER 44 CO -0.04 -0.32 0.80 -0.69 0.41 0.00 0.00 173.24 173.40 1y2q s VAL 45 N 1.58 4.96 0.25 3.43 1.01 -1.26 -1.60 120.40 128.77 1y2q s VAL 45 Ca 0.03 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.71 1y2q s VAL 45 Cb -0.18 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1y2q s VAL 45 CO 0.07 0.16 0.14 -1.61 0.00 0.00 0.00 175.10 173.85 1y2q s GLU 46 N 1.29 2.75 0.22 2.72 2.02 -1.26 -1.19 118.70 125.25 1y2q s GLU 46 Ca 0.41 -1.15 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 1y2q s GLU 46 Cb -0.18 -2.46 0.32 0.00 0.10 0.00 0.00 34.13 31.91 1y2q s GLU 46 CO 0.18 0.40 1.69 -0.22 0.02 0.00 0.00 175.26 177.33 1y2q h LYS 47 N 1.65 0.23 0.00 1.61 1.63 -0.88 -1.18 116.57 119.62 1y2q h LYS 47 Ca -0.47 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1y2q h LYS 47 Cb 1.24 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1y2q h LYS 47 CO 0.61 0.15 -0.02 0.28 -3.45 0.00 0.00 179.45 177.02 1y2q h VAL 48 N 0.23 0.12 0.00 2.00 2.07 -1.92 -1.76 116.25 117.00 1y2q h VAL 48 Ca 0.33 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1y2q h VAL 48 Cb 0.51 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1y2q h VAL 48 CO -0.44 0.02 0.00 0.44 0.02 0.00 0.00 177.57 177.61 1y2q h ASP 49 N 0.00 0.00 0.61 0.57 3.32 -1.59 -2.82 116.42 116.51 1y2q h ASP 49 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1y2q h ASP 49 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1y2q h ASP 49 CO 0.00 0.00 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.10 1y2q h GLU 50 N 0.00 0.00 -0.67 3.56 5.08 -1.42 -2.51 114.58 118.62 1y2q h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y2q h GLU 50 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1y2q h GLU 50 CO 0.00 0.09 0.43 0.87 -1.00 0.00 0.00 179.01 179.40 1y2q h LYS 51 N 0.00 0.90 -1.24 2.33 1.57 -1.70 -3.39 116.57 115.04 1y2q h LYS 51 Ca -0.00 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 58.43 1y2q h LYS 51 Cb 0.42 -0.20 -0.22 0.00 0.08 0.00 0.00 32.23 32.31 1y2q h LYS 51 CO 0.01 0.61 -0.64 -1.71 -0.57 0.00 0.00 179.45 177.15 1y2q n ASN 52 N -4.42 -2.52 -0.31 0.86 2.85 -0.97 -5.01 115.26 105.74 1y2q n ASN 52 Ca 0.07 -2.83 0.09 0.00 -0.11 0.00 0.00 54.58 51.80 1y2q n ASN 52 Cb 0.05 1.11 0.26 0.00 1.24 0.00 0.00 39.78 42.44 1y2q n ASN 52 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1y2q h PRO 53 N 4.97 0.63 -0.04 1.20 0.11 -1.71 -2.18 132.00 134.98 1y2q h PRO 53 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1y2q h PRO 53 Cb 1.04 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1y2q h PRO 53 CO 0.16 0.41 0.00 1.49 -0.21 0.00 0.00 178.00 179.85 1y2q h GLU 54 N 0.65 0.07 -0.43 1.05 4.81 -1.95 -1.85 114.58 116.92 1y2q h GLU 54 Ca 0.50 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1y2q h GLU 54 Cb 0.75 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1y2q h GLU 54 CO -0.38 0.34 0.28 1.49 -0.73 0.00 0.00 179.01 180.01 1y2q h GLU 55 N -0.22 0.56 -0.27 1.92 4.81 -1.90 -1.53 114.58 117.95 1y2q h GLU 55 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1y2q h GLU 55 Cb 0.31 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1y2q h GLU 55 CO 0.00 0.37 0.15 0.28 -0.73 0.00 0.00 179.01 179.08 1y2q h VAL 56 N 0.57 1.12 -0.35 0.32 2.07 -1.41 -1.89 116.25 116.68 1y2q h VAL 56 Ca 0.16 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1y2q h VAL 56 Cb -0.05 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1y2q h VAL 56 CO -0.04 0.11 0.21 0.28 0.02 0.00 0.00 177.57 178.15 1y2q h SER 57 N 0.32 0.43 -0.48 0.57 0.02 -1.13 -0.17 113.55 113.12 1y2q h SER 57 Ca 0.09 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1y2q h SER 57 Cb 0.05 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1y2q h SER 57 CO -0.02 0.37 0.30 -0.07 -1.14 0.00 0.00 176.83 176.27 1y2q h LEU 58 N 0.45 0.50 -0.63 5.07 3.38 -1.20 0.30 115.31 123.19 1y2q h LEU 58 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1y2q h LEU 58 Cb 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1y2q h LEU 58 CO -0.02 0.36 0.41 0.11 0.09 0.00 0.00 178.44 179.39 1y2q h LYS 59 N 0.61 0.79 -0.44 1.13 1.57 -1.10 -1.20 116.57 117.93 1y2q h LYS 59 Ca 0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1y2q h LYS 59 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1y2q h LYS 59 CO -0.06 0.53 0.25 0.00 -0.57 0.00 0.00 179.45 179.60 1y2q h ALA 60 N 1.25 0.56 -0.70 3.86 0.00 -0.51 -1.19 119.26 122.52 1y2q h ALA 60 Ca 0.24 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y2q h ALA 60 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1y2q h ALA 60 CO -0.07 0.06 0.43 0.82 0.00 0.00 0.00 179.25 180.50 1y2q h ILE 61 N 0.57 1.09 -0.24 0.00 2.04 0.06 -0.24 117.51 120.79 1y2q h ILE 61 Ca 0.16 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1y2q h ILE 61 Cb 0.02 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1y2q h ILE 61 CO -0.03 0.15 0.06 -0.08 0.00 0.00 0.00 178.15 178.25 1y2q h GLU 62 N 0.85 0.39 -0.59 2.37 4.57 -1.07 -1.29 114.58 119.80 1y2q h GLU 62 Ca 0.28 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1y2q h GLU 62 Cb 0.03 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1y2q h GLU 62 CO -0.11 0.49 0.09 0.93 -1.18 0.00 0.00 179.01 179.23 1y2q h GLU 63 N 0.21 0.98 -0.29 1.92 4.39 -0.82 -1.31 114.58 119.66 1y2q h GLU 63 Ca 0.08 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1y2q h GLU 63 Cb 0.28 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1y2q h GLU 63 CO 0.00 0.93 -0.15 0.82 -1.16 0.00 0.00 179.01 179.45 1y2q h ILE 64 N 0.88 1.30 -0.46 3.13 2.04 -1.06 -2.57 117.51 120.75 1y2q h ILE 64 Ca 0.18 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.82 1y2q h ILE 64 Cb 0.42 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1y2q h ILE 64 CO 0.01 0.40 0.25 0.28 0.00 0.00 0.00 178.15 179.09 1y2q h SER 65 N 0.36 0.39 -0.68 1.72 0.02 -1.16 -1.36 113.55 112.84 1y2q h SER 65 Ca 0.06 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1y2q h SER 65 Cb 0.67 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 1y2q h SER 65 CO 0.04 0.27 0.41 0.50 -1.14 0.00 0.00 176.83 176.92 1y2q h LYS 66 N 0.50 0.77 -0.48 3.45 3.64 -1.18 0.75 116.57 124.01 1y2q h LYS 66 Ca 0.19 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 1y2q h LYS 66 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1y2q h LYS 66 CO -0.12 0.51 -0.20 0.28 -2.27 0.00 0.00 179.45 177.65 1y2q h VAL 67 N 0.79 1.27 -0.85 2.00 2.07 -1.21 -1.53 116.25 118.79 1y2q h VAL 67 Ca 0.28 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1y2q h VAL 67 Cb 0.07 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1y2q h VAL 67 CO -0.13 0.47 0.40 0.00 0.02 0.00 0.00 177.57 178.34 1y2q h ALA 68 N 0.87 1.09 -0.61 1.67 0.00 -0.83 -1.58 119.26 119.87 1y2q h ALA 68 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1y2q h ALA 68 Cb 0.78 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1y2q h ALA 68 CO 0.06 0.66 0.31 0.93 0.00 0.00 0.00 179.25 181.22 1y2q h GLU 69 N 1.21 0.87 -0.58 0.00 4.39 -0.69 0.28 114.58 120.06 1y2q h GLU 69 Ca 0.29 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1y2q h GLU 69 Cb 0.13 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1y2q h GLU 69 CO -0.04 0.68 0.36 1.96 -1.16 0.00 0.00 179.01 180.82 1y2q h GLN 70 N 0.83 0.78 -0.20 2.33 4.20 -0.60 -2.63 115.11 119.82 1y2q h GLN 70 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1y2q h GLN 70 Cb 0.09 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1y2q h GLN 70 CO -0.03 0.54 0.00 1.33 -0.67 0.00 0.00 178.83 180.00 1y2q n VAL 71 N -4.65 0.25 -3.69 -0.54 0.24 -0.66 -4.95 118.33 104.33 1y2q n VAL 71 Ca 0.04 -0.48 -0.22 0.00 -2.04 0.00 0.00 64.34 61.64 1y2q n VAL 71 Cb 0.04 0.72 0.04 0.00 -1.47 0.00 0.00 33.84 33.18 1y2q n VAL 71 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1y2q n LYS 72 N 0.81 -5.41 -3.43 7.34 4.01 0.14 -4.98 118.16 116.63 1y2q n LYS 72 Ca 0.17 0.66 -0.38 0.00 -0.51 0.00 0.00 58.31 58.26 1y2q n LYS 72 Cb 0.45 -5.36 -0.06 0.00 -0.51 0.00 0.00 35.03 29.55 1y2q n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1y2q s ALA 73 N -3.55 3.60 -0.51 7.82 0.00 0.75 -4.96 121.76 124.89 1y2q s ALA 73 Ca 0.13 -0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.02 1y2q s ALA 73 Cb -0.06 -2.49 -0.22 0.00 0.00 0.00 0.00 23.12 20.35 1y2q s ALA 73 CO 0.80 0.23 0.60 0.39 0.00 0.00 0.00 175.76 177.78 1y2q n GLU 74 N 2.81 1.09 -4.79 0.00 1.02 -1.26 -4.57 120.64 114.94 1y2q n GLU 74 Ca -0.11 -0.06 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 1y2q n GLU 74 Cb 0.52 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.46 1y2q n GLU 74 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1y2q s ASN 75 N -3.11 4.07 0.05 1.62 0.01 -1.26 -1.76 114.94 114.56 1y2q s ASN 75 Ca 0.02 -0.27 0.07 0.00 -0.71 0.00 0.00 52.86 51.97 1y2q s ASN 75 Cb 0.12 -1.40 -0.03 0.00 0.41 0.00 0.00 41.25 40.35 1y2q s ASN 75 CO 0.71 0.22 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.62 1y2q s VAL 76 N 0.02 1.65 -0.09 1.60 1.01 0.20 -1.03 120.40 123.76 1y2q s VAL 76 Ca -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1y2q s VAL 76 Cb -0.14 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1y2q s VAL 76 CO 0.04 0.18 -0.14 0.12 0.00 0.00 0.00 175.10 175.30 1y2q s PHE 77 N -0.83 1.75 -0.43 5.22 5.36 -0.32 -0.77 117.98 127.97 1y2q s PHE 77 Ca 0.07 -0.76 -0.19 0.00 -0.96 0.00 0.00 56.93 55.09 1y2q s PHE 77 Cb -0.09 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1y2q s PHE 77 CO 0.02 -0.40 0.55 0.08 -1.46 0.00 0.00 175.22 174.01 1y2q s VAL 78 N 0.89 4.95 -0.31 3.12 1.01 -0.13 -0.17 120.40 129.75 1y2q s VAL 78 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1y2q s VAL 78 Cb -0.15 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.15 1y2q s VAL 78 CO 0.01 -0.52 0.03 -0.47 0.00 0.00 0.00 175.10 174.14 1y2q s TYR 79 N 2.50 3.32 0.19 5.22 6.14 -0.08 -1.97 117.35 132.67 1y2q s TYR 79 Ca 0.18 -1.97 -0.30 0.00 0.64 0.00 0.00 57.07 55.61 1y2q s TYR 79 Cb -0.16 -2.27 -0.09 0.00 0.42 0.00 0.00 41.96 39.87 1y2q s TYR 79 CO 0.16 -0.83 1.39 -2.14 0.64 0.00 0.00 175.55 174.78 1y2q s PRO 80 N 1.23 4.32 -0.29 4.97 0.02 -1.26 -1.27 135.00 142.72 1y2q s PRO 80 Ca -0.03 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1y2q s PRO 80 Cb -0.20 -3.18 0.17 0.00 0.02 0.00 0.00 34.50 31.31 1y2q s PRO 80 CO -0.02 -0.38 0.45 0.12 -0.33 0.00 0.00 177.00 176.84 1y2q s PHE 81 N 0.41 -1.17 -0.28 6.54 5.36 -0.21 -4.79 117.98 123.83 1y2q s PHE 81 Ca 0.61 0.53 0.28 0.00 -0.96 0.00 0.00 56.93 57.39 1y2q s PHE 81 Cb -0.39 -0.04 1.04 0.00 -0.34 0.00 0.00 43.02 43.30 1y2q s PHE 81 CO 0.37 -0.99 1.81 0.00 -1.46 0.00 0.00 175.22 174.96 1y2q h ALA 82 N 8.13 1.00 0.00 11.12 0.00 -1.93 -3.03 119.26 134.55 1y2q h ALA 82 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1y2q h ALA 82 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1y2q h ALA 82 CO 0.24 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.21 1y2q n HIS 83 N -2.66 0.00 1.02 0.00 8.25 -1.26 -3.15 115.22 117.42 1y2q n HIS 83 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.62 1y2q n HIS 83 Cb 0.31 -0.23 0.56 0.00 1.12 0.00 0.00 29.99 31.75 1y2q n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y2q n LEU 84 N -1.23 0.10 -3.68 2.41 4.77 -1.26 -4.87 117.00 113.23 1y2q n LEU 84 Ca 0.14 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.40 1y2q n LEU 84 Cb 0.19 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1y2q n LEU 84 CO 0.20 0.02 0.12 -0.55 -1.33 0.00 0.00 177.39 175.86 1y2q s SER 85 N -2.98 -0.24 -0.01 -1.43 0.15 -1.19 -4.93 113.70 103.07 1y2q s SER 85 Ca 0.14 -0.08 0.21 0.00 0.70 0.00 0.00 55.95 56.92 1y2q s SER 85 Cb 0.19 0.41 -0.24 0.00 -1.71 0.00 0.00 66.02 64.67 1y2q s SER 85 CO 0.56 -0.67 0.79 -1.20 1.20 0.00 0.00 173.24 173.92 1y2q n SER 86 N 0.44 0.67 -3.82 5.45 7.64 -1.26 -4.71 113.62 118.03 1y2q n SER 86 Ca -0.18 -0.65 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 1y2q n SER 86 Cb 0.60 1.28 0.01 0.00 -1.01 0.00 0.00 64.21 65.08 1y2q n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1y2q n GLU 87 N -1.75 4.09 -3.06 1.43 4.71 -1.26 -5.00 120.64 119.80 1y2q n GLU 87 Ca 0.02 -3.83 -0.31 0.00 -0.01 0.00 0.00 57.16 53.02 1y2q n GLU 87 Cb 0.41 -2.75 -0.05 0.00 -1.01 0.00 0.00 31.44 28.04 1y2q n GLU 87 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1y2q s LEU 88 N -1.34 3.98 0.51 -4.62 1.43 -1.26 -0.62 118.68 116.76 1y2q s LEU 88 Ca 0.40 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.55 1y2q s LEU 88 Cb 0.10 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 1y2q s LEU 88 CO 0.01 -0.27 0.94 0.00 0.23 0.00 0.00 176.35 177.26 1y2q s ALA 89 N -2.12 3.15 0.14 4.21 0.00 -0.33 -3.40 121.76 123.41 1y2q s ALA 89 Ca 0.52 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 52.16 1y2q s ALA 89 Cb -0.10 -3.00 -0.16 0.00 0.00 0.00 0.00 23.12 19.85 1y2q s ALA 89 CO 0.23 -0.29 1.13 1.17 0.00 0.00 0.00 175.76 178.00 1y2q n LYS 90 N -1.81 0.96 -0.04 0.00 4.81 -1.26 -4.71 118.16 116.12 1y2q n LYS 90 Ca 0.05 0.34 0.13 0.00 -0.87 0.00 0.00 58.31 57.96 1y2q n LYS 90 Cb 0.54 -1.83 0.54 0.00 0.02 0.00 0.00 35.03 34.30 1y2q n LYS 90 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1y2q h PRO 91 N 3.33 0.31 -0.39 1.64 0.11 -1.99 0.54 132.00 135.55 1y2q h PRO 91 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1y2q h PRO 91 Cb 1.36 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1y2q h PRO 91 CO 0.70 0.20 0.11 0.66 -0.21 0.00 0.00 178.00 179.46 1y2q h SER 92 N 0.32 0.58 -0.41 -2.05 4.64 -1.97 -0.88 113.55 113.78 1y2q h SER 92 Ca 0.25 -0.21 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1y2q h SER 92 Cb 0.55 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1y2q h SER 92 CO -0.06 0.64 -0.06 0.58 -0.87 0.00 0.00 176.83 177.06 1y2q h VAL 93 N 0.49 1.27 -0.38 0.95 2.07 -1.69 -1.60 116.25 117.36 1y2q h VAL 93 Ca 0.13 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.60 1y2q h VAL 93 Cb 0.27 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1y2q h VAL 93 CO -0.00 0.38 -0.10 0.00 0.02 0.00 0.00 177.57 177.87 1y2q h ALA 94 N 0.86 0.24 -0.72 1.67 0.00 -0.76 -0.67 119.26 119.88 1y2q h ALA 94 Ca 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1y2q h ALA 94 Cb 0.57 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1y2q h ALA 94 CO 0.03 -0.46 0.30 0.52 0.00 0.00 0.00 179.25 179.65 1y2q h MET 95 N -0.00 1.07 -0.10 0.00 2.86 -1.06 -0.14 114.93 117.55 1y2q h MET 95 Ca 0.18 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1y2q h MET 95 Cb 0.28 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1y2q h MET 95 CO -0.39 0.87 -0.22 0.22 1.06 0.00 0.00 176.91 178.45 1y2q h ASP 96 N 1.03 -0.67 -0.44 1.22 3.58 -0.92 -0.71 116.42 119.50 1y2q h ASP 96 Ca 0.24 0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.69 1y2q h ASP 96 Cb 0.19 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1y2q h ASP 96 CO -0.02 -0.28 -0.17 0.40 -2.88 0.00 0.00 179.24 176.30 1y2q h ILE 97 N -0.30 1.27 -0.92 2.25 2.04 -0.89 -0.97 117.51 120.00 1y2q h ILE 97 Ca 0.09 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.69 1y2q h ILE 97 Cb 0.43 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1y2q h ILE 97 CO -0.27 0.44 0.59 -0.07 0.00 0.00 0.00 178.15 178.84 1y2q h LEU 98 N 0.72 0.96 -0.25 1.44 3.38 -0.92 -0.82 115.31 119.82 1y2q h LEU 98 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1y2q h LEU 98 Cb 0.72 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1y2q h LEU 98 CO 0.06 0.64 -0.16 -1.13 0.09 0.00 0.00 178.44 177.93 1y2q h ASN 99 N 1.11 0.58 -0.70 -0.43 -0.73 -0.91 -1.33 115.58 113.16 1y2q h ASN 99 Ca 0.38 -0.43 0.09 0.00 1.87 0.00 0.00 56.30 58.21 1y2q h ASN 99 Cb 0.09 -0.16 -0.07 0.00 0.27 0.00 0.00 38.32 38.44 1y2q h ASN 99 CO -0.15 0.88 0.35 0.03 -0.37 0.00 0.00 177.43 178.18 1y2q h ARG 100 N 0.28 0.58 0.12 6.67 3.08 -0.79 0.68 114.38 124.99 1y2q h ARG 100 Ca 0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1y2q h ARG 100 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1y2q h ARG 100 CO 0.04 0.38 -0.06 0.28 -1.07 0.00 0.00 179.97 179.55 1y2q h VAL 101 N 0.59 1.04 -0.26 2.04 2.07 -1.09 -0.19 116.25 120.45 1y2q h VAL 101 Ca 0.34 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1y2q h VAL 101 Cb 0.36 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 1y2q h VAL 101 CO -0.27 0.16 -0.33 0.22 0.02 0.00 0.00 177.57 177.38 1y2q h TYR 102 N -0.49 -0.92 -0.48 1.57 3.20 -1.00 -1.04 116.97 117.81 1y2q h TYR 102 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1y2q h TYR 102 Cb 0.39 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1y2q h TYR 102 CO 0.03 -0.39 0.26 0.37 -1.64 0.00 0.00 178.16 176.78 1y2q h GLN 103 N -0.33 0.67 -0.90 1.82 4.15 -0.88 -2.68 115.11 116.96 1y2q h GLN 103 Ca 0.13 -0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.53 1y2q h GLN 103 Cb 0.54 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1y2q h GLN 103 CO -0.44 0.54 0.59 0.78 -1.93 0.00 0.00 178.83 178.36 1y2q h GLY 104 N 0.63 1.31 1.44 2.39 0.00 -0.66 -1.09 103.07 107.09 1y2q h GLY 104 Ca 0.17 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1y2q h GLY 104 CO -0.03 0.30 -0.51 1.41 0.00 0.00 0.00 176.54 177.71 1y2q h LEU 105 N 1.02 0.66 -0.75 3.11 4.07 -1.00 -2.64 115.31 119.78 1y2q h LEU 105 Ca 0.39 -0.34 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 1y2q h LEU 105 Cb 0.19 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1y2q h LEU 105 CO -0.14 1.05 -0.06 0.11 -1.08 0.00 0.00 178.44 178.32 1y2q h LYS 106 N 0.47 0.89 0.00 1.13 1.57 -1.09 -2.90 116.57 116.64 1y2q h LYS 106 Ca 0.02 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1y2q h LYS 106 Cb 1.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1y2q h LYS 106 CO 0.10 0.92 0.00 0.93 -0.57 0.00 0.00 179.45 180.83 1y2q h GLU 107 N 0.81 0.00 -0.01 3.15 5.08 -0.98 -0.41 114.58 122.22 1y2q h GLU 107 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1y2q h GLU 107 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1y2q h GLU 107 CO 0.03 0.00 -0.02 0.54 -1.00 0.00 0.00 179.01 178.56 1y2q n ARG 108 N -3.02 1.42 -0.36 2.33 1.74 -1.02 -4.95 116.66 112.81 1y2q n ARG 108 Ca -0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 1y2q n ARG 108 Cb 0.23 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1y2q n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y2q n GLY 109 N 1.15 0.81 3.85 -0.13 0.00 -0.16 -5.07 105.19 105.64 1y2q n GLY 109 Ca 0.19 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1y2q n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y2q s PHE 110 N -2.00 3.41 -0.17 1.61 0.08 -1.11 -5.04 117.98 114.76 1y2q s PHE 110 Ca 0.00 1.30 -0.28 0.00 0.12 0.00 0.00 56.93 58.08 1y2q s PHE 110 Cb 0.00 -2.63 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 1y2q s PHE 110 CO 0.00 -0.14 0.94 1.21 -0.10 0.00 0.00 175.22 177.14 1y2q s ASN 111 N -2.76 7.08 -0.06 1.36 3.04 -0.72 -4.47 114.94 118.41 1y2q s ASN 111 Ca 0.56 1.33 0.03 0.00 0.04 0.00 0.00 52.86 54.82 1y2q s ASN 111 Cb -0.10 -2.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 1y2q s ASN 111 CO 0.25 -0.49 -0.14 -0.69 -3.04 0.00 0.00 177.10 172.99 1y2q s VAL 112 N 2.43 1.23 0.38 -5.21 1.01 -1.26 -0.63 120.40 118.35 1y2q s VAL 112 Ca 0.43 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1y2q s VAL 112 Cb -0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1y2q s VAL 112 CO 0.12 0.37 0.11 -0.83 0.00 0.00 0.00 175.10 174.87 1y2q s GLY 113 N 0.41 2.23 0.09 4.51 0.00 0.05 -4.98 107.32 109.63 1y2q s GLY 113 Ca -0.10 -2.05 -0.09 0.00 0.00 0.00 0.00 44.72 42.47 1y2q s GLY 113 CO 0.03 -1.91 0.21 -1.59 0.00 0.00 0.00 173.10 169.84 1y2q s LYS 114 N -3.83 0.84 0.03 2.90 -2.85 -1.26 -0.96 119.74 114.61 1y2q s LYS 114 Ca 0.38 -0.91 0.03 0.00 -1.00 0.00 0.00 55.97 54.48 1y2q s LYS 114 Cb 0.03 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1y2q s LYS 114 CO 0.21 -0.27 -0.01 0.00 0.10 0.00 0.00 175.35 175.39 1y2q s ALA 115 N -3.72 3.26 0.56 0.59 0.00 -0.83 -4.94 121.76 116.68 1y2q s ALA 115 Ca 0.04 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 1y2q s ALA 115 Cb 0.04 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1y2q s ALA 115 CO -0.10 0.66 1.12 -1.25 0.00 0.00 0.00 175.76 176.19 1y2q s PRO 116 N -1.80 3.28 0.21 0.00 0.04 -1.26 -4.52 135.00 130.95 1y2q s PRO 116 Ca 0.21 1.57 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1y2q s PRO 116 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1y2q s PRO 116 CO 0.13 -0.90 0.84 0.12 0.04 0.00 0.00 177.00 177.22 1y2q s PHE 117 N -1.87 3.88 0.00 0.56 5.36 -1.26 -4.34 117.98 120.30 1y2q s PHE 117 Ca 0.72 1.71 0.00 0.00 -0.96 0.00 0.00 56.93 58.39 1y2q s PHE 117 Cb -0.23 -2.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.62 1y2q s PHE 117 CO 0.29 0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.90 1y2q n GLY 118 N 1.33 0.74 3.56 13.12 0.00 -1.26 -1.95 105.19 120.73 1y2q n GLY 118 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1y2q n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y2q s TYR 119 N -2.19 2.60 0.34 1.61 1.51 -1.26 -0.10 117.35 119.86 1y2q s TYR 119 Ca 0.00 -0.24 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 1y2q s TYR 119 Cb 0.00 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1y2q s TYR 119 CO 0.00 0.53 1.02 0.71 -1.11 0.00 0.00 175.55 176.69 1y2q s TYR 120 N -1.78 3.50 -0.03 2.71 2.02 0.37 -4.76 117.35 119.38 1y2q s TYR 120 Ca 0.25 1.71 0.01 0.00 -0.37 0.00 0.00 57.07 58.67 1y2q s TYR 120 Cb -0.08 -3.08 0.02 0.00 -0.40 0.00 0.00 41.96 38.42 1y2q s TYR 120 CO 0.15 -0.28 -0.01 0.15 -1.57 0.00 0.00 175.55 173.99 1y2q s LYS 121 N -2.09 0.43 0.39 -0.62 3.01 -1.26 -0.27 119.74 119.33 1y2q s LYS 121 Ca 0.52 0.02 -0.26 0.00 -1.01 0.00 0.00 55.97 55.24 1y2q s LYS 121 Cb -0.23 -0.56 -0.09 0.00 -1.01 0.00 0.00 37.83 35.95 1y2q s LYS 121 CO 0.29 -0.11 1.21 0.00 0.51 0.00 0.00 175.35 177.25 1y2q s ALA 122 N 0.95 3.22 -0.06 5.17 0.00 -0.52 -4.92 121.76 125.60 1y2q s ALA 122 Ca -0.10 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 1y2q s ALA 122 Cb -0.14 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1y2q s ALA 122 CO -0.01 -0.60 0.44 -0.59 0.00 0.00 0.00 175.76 174.99 1y2q s PHE 123 N -1.33 -0.38 0.01 0.00 -0.71 -1.26 -1.59 117.98 112.73 1y2q s PHE 123 Ca 0.56 0.71 0.08 0.00 -1.04 0.00 0.00 56.93 57.24 1y2q s PHE 123 Cb -0.34 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1y2q s PHE 123 CO 0.43 -0.41 -0.24 0.15 -1.34 0.00 0.00 175.22 173.81 1y2q s LYS 124 N -0.92 1.82 -0.03 1.99 1.02 0.17 -4.97 119.74 118.82 1y2q s LYS 124 Ca -0.10 -0.95 -0.10 0.00 0.02 0.00 0.00 55.97 54.84 1y2q s LYS 124 Cb -0.03 -1.86 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1y2q s LYS 124 CO 0.05 0.50 0.22 -1.50 -0.92 0.00 0.00 175.35 173.70 1y2q s ILE 125 N -0.67 0.05 -0.20 2.17 2.07 -1.26 -1.21 121.20 122.15 1y2q s ILE 125 Ca 0.10 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1y2q s ILE 125 Cb -0.09 -0.48 0.05 0.00 0.13 0.00 0.00 42.46 42.07 1y2q s ILE 125 CO 0.00 -0.25 -0.06 -0.55 -1.91 0.00 0.00 174.94 172.18 1y2q s SER 126 N -1.00 3.41 -0.19 4.50 0.15 -1.08 -5.01 113.70 114.48 1y2q s SER 126 Ca -0.11 -0.94 -0.20 0.00 0.70 0.00 0.00 55.95 55.40 1y2q s SER 126 Cb -0.05 -1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 1y2q s SER 126 CO 0.02 -0.20 0.59 0.00 1.20 0.00 0.00 173.24 174.85 1y2q s LYS 128 N 1.69 1.80 0.00 0.00 1.02 -0.69 -4.91 119.74 118.65 1y2q s LYS 128 Ca 0.27 1.74 0.31 0.00 0.02 0.00 0.00 55.97 58.32 1y2q s LYS 128 Cb -0.16 -1.80 1.77 0.00 -0.52 0.00 0.00 37.83 37.13 1y2q s LYS 128 CO 0.10 -2.09 2.16 0.41 -0.92 0.00 0.00 175.35 175.01 1y2q n GLY 129 N 0.41 -0.96 3.80 -3.33 0.00 -1.26 -4.82 105.19 99.03 1y2q n GLY 129 Ca 0.13 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1y2q n GLY 129 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y2q s HIS 130 N -2.09 2.91 0.37 1.61 3.76 -1.26 -4.90 115.29 115.69 1y2q s HIS 130 Ca 0.44 1.47 0.09 0.00 -0.15 0.00 0.00 55.06 56.90 1y2q s HIS 130 Cb 0.22 -2.94 0.82 0.00 1.11 0.00 0.00 32.58 31.78 1y2q s HIS 130 CO 0.38 -1.45 1.92 -1.35 -0.85 0.00 0.00 174.74 173.39 1y2q h PRO 131 N -0.88 0.66 -0.50 8.40 0.11 -1.99 -2.04 132.00 135.76 1y2q h PRO 131 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1y2q h PRO 131 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1y2q h PRO 131 CO 0.55 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 180.05 1y2q n LEU 132 N -4.51 2.94 -0.31 2.35 4.77 -1.26 -4.43 117.00 116.56 1y2q n LEU 132 Ca 0.14 -1.42 0.14 0.00 -0.03 0.00 0.00 56.01 54.83 1y2q n LEU 132 Cb 0.36 -0.33 0.48 0.00 -2.33 0.00 0.00 43.42 41.60 1y2q n LEU 132 CO 0.32 0.71 0.77 0.00 -1.33 0.00 0.00 177.39 177.87 1y2q n ALA 133 N 1.12 2.84 -3.31 -1.18 0.00 -0.77 -4.63 120.51 114.58 1y2q n ALA 133 Ca 0.19 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1y2q n ALA 133 Cb 0.48 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1y2q n ALA 133 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y2q s GLU 134 N -2.30 0.58 0.10 0.00 2.12 -1.25 -0.36 118.70 117.60 1y2q s GLU 134 Ca 0.31 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.31 1y2q s GLU 134 Cb 0.20 -0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 1y2q s GLU 134 CO 0.44 -1.13 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.40 1y2q s LEU 135 N 1.94 2.39 0.03 2.70 1.43 0.51 -4.98 118.68 122.72 1y2q s LEU 135 Ca 0.14 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1y2q s LEU 135 Cb -0.12 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1y2q s LEU 135 CO -0.15 -0.20 -0.14 -0.94 0.23 0.00 0.00 176.35 175.15 1y2q s SER 136 N -2.39 1.59 -0.00 2.29 1.04 -1.26 0.98 113.70 115.95 1y2q s SER 136 Ca 0.06 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1y2q s SER 136 Cb -0.04 -0.11 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 1y2q s SER 136 CO 0.01 0.04 -0.03 -0.13 0.98 0.00 0.00 173.24 174.11 1y2q s ARG 137 N -1.04 0.25 -0.21 4.02 1.81 -0.07 -4.99 118.95 118.72 1y2q s ARG 137 Ca 0.01 -0.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.88 1y2q s ARG 137 Cb -0.07 -0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.14 1y2q s ARG 137 CO 0.01 0.05 -0.00 0.99 -0.68 0.00 0.00 175.30 175.67 1y2q s THR 138 N 0.01 3.85 -0.12 0.02 2.01 -1.26 -0.64 115.64 119.51 1y2q s THR 138 Ca 0.00 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1y2q s THR 138 Cb -0.02 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.77 1y2q s THR 138 CO -0.00 0.42 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.67 1y2q s ILE 139 N 1.16 0.89 0.07 1.82 1.01 0.20 -5.01 121.20 121.34 1y2q s ILE 139 Ca 0.03 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1y2q s ILE 139 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1y2q s ILE 139 CO 0.01 0.26 -0.08 0.68 0.00 0.00 0.00 174.94 175.80 1y2q s VAL 140 N 1.75 0.69 0.48 2.92 -7.23 -1.26 -0.66 120.40 117.08 1y2q s VAL 140 Ca 0.04 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 1y2q s VAL 140 Cb -0.13 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 1y2q s VAL 140 CO -0.07 -0.51 1.13 -2.16 -0.31 0.00 0.00 175.10 173.18 1y2q s PRO 141 N -2.28 3.69 0.27 4.82 0.04 -1.26 -4.90 135.00 135.38 1y2q s PRO 141 Ca -0.02 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1y2q s PRO 141 Cb -0.05 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 1y2q s PRO 141 CO -0.01 -0.58 1.39 -1.21 0.04 0.00 0.00 177.00 176.63 1y2q s GLU 142 N -2.88 4.30 0.00 4.56 2.02 -1.26 -5.07 118.70 120.37 1y2q s GLU 142 Ca 0.66 2.26 0.32 0.00 0.02 0.00 0.00 54.97 58.23 1y2q s GLU 142 Cb -0.26 -3.10 1.81 0.00 0.10 0.00 0.00 34.13 32.67 1y2q s GLU 142 CO 0.31 -0.35 2.17 0.39 0.02 0.00 0.00 175.26 177.80