#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2q h PRO 2 N 0.00 0.00 -0.34 1.61 0.13 -2.02 -3.00 132.00 128.38 1w2q h PRO 2 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1w2q h PRO 2 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1w2q h PRO 2 CO 0.00 0.00 0.23 0.52 -0.23 0.00 0.00 178.00 178.52 1w2q h MET 3 N 0.00 0.36 -0.66 0.86 2.86 -2.02 -1.02 114.93 115.30 1w2q h MET 3 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1w2q h MET 3 Cb 0.47 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1w2q h MET 3 CO 0.00 0.24 0.44 0.00 1.06 0.00 0.00 176.91 178.65 1w2q h ARG 4 N 0.37 0.69 -5.17 1.72 3.08 -1.99 -3.40 114.38 109.69 1w2q h ARG 4 Ca 0.13 -0.04 -0.62 0.00 0.07 0.00 0.00 59.98 59.52 1w2q h ARG 4 Cb 0.08 -0.16 -0.33 0.00 0.08 0.00 0.00 29.97 29.65 1w2q h ARG 4 CO -0.03 0.46 -0.86 1.03 -1.07 0.00 0.00 179.97 179.50 1w2q s ARG 5 N -5.63 2.46 0.28 0.04 0.52 -0.39 -5.01 118.95 111.22 1w2q s ARG 5 Ca -0.09 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1w2q s ARG 5 Cb 0.19 -1.94 0.39 0.00 0.52 0.00 0.00 34.95 34.11 1w2q s ARG 5 CO 0.76 0.16 1.79 0.93 0.02 0.00 0.00 175.30 178.96 1w2q h GLU 6 N 6.67 0.74 -4.80 3.54 5.08 -1.78 -3.44 114.58 120.59 1w2q h GLU 6 Ca -0.25 -0.19 -0.29 0.00 -1.00 0.00 0.00 59.36 57.63 1w2q h GLU 6 Cb 1.21 -0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.18 1w2q h GLU 6 CO 0.47 0.75 -0.73 1.03 -1.00 0.00 0.00 179.01 179.53 1w2q s ARG 7 N -5.00 0.72 0.44 2.33 0.52 -1.26 -5.06 118.95 111.64 1w2q s ARG 7 Ca -0.09 -1.02 -0.26 0.00 -0.52 0.00 0.00 55.73 53.84 1w2q s ARG 7 Cb 0.15 -0.41 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 1w2q s ARG 7 CO 0.80 0.06 1.44 0.20 0.02 0.00 0.00 175.30 177.82 1w2q s GLY 8 N -2.16 2.93 0.14 -3.53 0.00 -1.26 -5.01 107.32 98.43 1w2q s GLY 8 Ca 0.00 1.49 0.09 0.00 0.00 0.00 0.00 44.72 46.30 1w2q s GLY 8 CO -0.00 2.12 -0.21 0.50 0.00 0.00 0.00 173.10 175.50 1w2q s ARG 9 N -2.38 1.27 0.12 2.90 0.52 -1.26 -5.14 118.95 114.98 1w2q s ARG 9 Ca 0.59 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1w2q s ARG 9 Cb -0.44 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1w2q s ARG 9 CO 0.58 0.32 0.06 -0.65 0.02 0.00 0.00 175.30 175.63 1w2q s GLN 10 N -2.41 2.72 0.35 3.54 -0.21 -1.26 -5.08 119.66 117.32 1w2q s GLN 10 Ca 0.13 -0.85 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 1w2q s GLN 10 Cb -0.08 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 31.24 1w2q s GLN 10 CO 0.06 0.52 1.26 0.20 -2.12 0.00 0.00 175.29 175.21 1w2q s GLY 11 N -2.69 2.97 0.27 3.09 0.00 -1.26 -4.91 107.32 104.80 1w2q s GLY 11 Ca 0.29 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 46.14 1w2q s GLY 11 CO 0.21 1.77 1.87 -0.55 0.00 0.00 0.00 173.10 176.40 1w2q h ASP 12 N 3.15 0.91 -4.67 1.64 3.32 -2.08 -3.44 116.42 115.25 1w2q h ASP 12 Ca -0.49 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.24 1w2q h ASP 12 Cb 1.23 -0.23 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 1w2q h ASP 12 CO 0.64 0.78 -0.70 -0.94 -1.72 0.00 0.00 179.24 177.30 1w2q s SER 13 N -6.43 1.05 0.55 6.45 1.04 -1.26 -5.15 113.70 109.95 1w2q s SER 13 Ca -0.11 -0.94 -0.05 0.00 0.48 0.00 0.00 55.95 55.34 1w2q s SER 13 Cb 0.16 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1w2q s SER 13 CO 0.81 -0.44 0.85 -0.94 0.98 0.00 0.00 173.24 174.50 1w2q s SER 14 N -2.81 5.72 0.22 7.02 1.04 -1.26 -5.10 113.70 118.53 1w2q s SER 14 Ca 0.08 0.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.07 1w2q s SER 14 Cb 0.03 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 1w2q s SER 14 CO -0.04 -0.94 0.41 -0.55 0.98 0.00 0.00 173.24 173.10 1w2q s SER 15 N -4.26 -0.06 0.05 7.02 0.15 -1.26 -5.03 113.70 110.31 1w2q s SER 15 Ca 0.52 -0.93 -0.31 0.00 0.70 0.00 0.00 55.95 55.93 1w2q s SER 15 Cb -0.10 0.54 -0.18 0.00 -1.71 0.00 0.00 66.02 64.56 1w2q s SER 15 CO 0.44 -1.06 1.51 0.00 1.20 0.00 0.00 173.24 175.33 1w2q h GLU 17 N -0.95 0.00 0.00 0.00 4.81 -1.98 1.68 114.58 118.14 1w2q h GLU 17 Ca -0.09 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1w2q h GLU 17 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1w2q h GLU 17 CO 0.15 0.00 -0.28 0.00 -0.73 0.00 0.00 179.01 178.15 1w2q h ARG 18 N 0.00 0.00 -0.01 1.92 3.08 -1.72 -2.87 114.38 114.79 1w2q h ARG 18 Ca 0.33 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.24 1w2q h ARG 18 Cb 1.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.90 1w2q h ARG 18 CO -0.00 0.28 -0.66 0.37 -1.07 0.00 0.00 179.97 178.88 1w2q h GLN 19 N 0.00 0.02 -0.85 0.04 4.15 0.27 -3.03 115.11 115.71 1w2q h GLN 19 Ca -0.00 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.53 1w2q h GLN 19 Cb 0.94 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.54 1w2q h GLN 19 CO 0.04 0.67 0.46 0.28 -1.93 0.00 0.00 178.83 178.35 1w2q h VAL 20 N 0.02 0.78 -0.08 2.39 2.07 -1.40 0.73 116.25 120.77 1w2q h VAL 20 Ca -0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1w2q h VAL 20 Cb 1.17 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1w2q h VAL 20 CO 0.09 0.13 0.41 0.44 0.02 0.00 0.00 177.57 178.65 1w2q h ASP 21 N 0.69 0.00 -0.68 0.57 3.32 -1.65 -0.38 116.42 118.29 1w2q h ASP 21 Ca 0.45 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 57.12 1w2q h ASP 21 Cb 0.58 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.72 1w2q h ASP 21 CO -0.33 0.00 -1.00 0.54 -1.72 0.00 0.00 179.24 176.73 1w2q n ARG 22 N -3.00 2.41 0.02 3.56 1.74 0.25 -4.80 116.66 116.84 1w2q n ARG 22 Ca -0.00 -3.77 0.13 0.00 -0.77 0.00 0.00 57.85 53.43 1w2q n ARG 22 Cb 0.48 -1.84 0.33 0.00 -1.02 0.00 0.00 32.46 30.41 1w2q n ARG 22 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1w2q n VAL 23 N -0.57 0.14 -2.92 1.55 0.31 -0.15 -5.01 118.33 111.68 1w2q n VAL 23 Ca 0.22 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1w2q n VAL 23 Cb 0.85 -0.08 -0.01 0.00 -0.91 0.00 0.00 33.84 33.68 1w2q n VAL 23 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1w2q n ASN 24 N -1.72 -5.76 -0.12 4.52 2.85 -1.26 -4.95 115.26 108.82 1w2q n ASN 24 Ca 0.05 1.01 -0.19 0.00 -0.11 0.00 0.00 54.58 55.34 1w2q n ASN 24 Cb 0.37 -3.28 -0.10 0.00 1.24 0.00 0.00 39.78 38.01 1w2q n ASN 24 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1w2q n LEU 25 N 1.60 2.59 -0.35 1.20 4.32 -1.26 -4.37 117.00 120.73 1w2q n LEU 25 Ca -0.10 0.01 0.13 0.00 -0.02 0.00 0.00 56.01 56.03 1w2q n LEU 25 Cb 0.29 -0.79 0.26 0.00 -1.62 0.00 0.00 43.42 41.57 1w2q n LEU 25 CO 0.20 0.77 0.77 0.29 -1.22 0.00 0.00 177.39 178.19 1w2q n LYS 26 N -3.48 -0.08 0.32 3.23 5.02 -1.26 0.43 118.16 122.34 1w2q n LYS 26 Ca -0.44 1.50 -0.16 0.00 -2.02 0.00 0.00 58.31 57.19 1w2q n LYS 26 Cb 0.91 -2.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1w2q n LYS 26 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1w2q h PRO 27 N 0.00 -0.78 0.36 1.97 0.13 -1.97 -0.95 132.00 130.76 1w2q h PRO 27 Ca 0.58 0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.74 1w2q h PRO 27 Cb 1.14 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1w2q h PRO 27 CO -0.95 -0.47 -0.17 0.00 -0.23 0.00 0.00 178.00 176.17 1w2q h GLU 29 N -1.13 0.16 -0.21 0.00 4.81 -0.17 1.06 114.58 119.11 1w2q h GLU 29 Ca -0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1w2q h GLU 29 Cb 0.38 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1w2q h GLU 29 CO 0.08 0.11 -0.04 1.96 -0.73 0.00 0.00 179.01 180.39 1w2q h GLN 30 N 0.17 0.31 0.00 1.92 4.20 -1.21 0.97 115.11 121.47 1w2q h GLN 30 Ca 0.61 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1w2q h GLN 30 Cb 1.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1w2q h GLN 30 CO -0.71 0.37 0.00 1.25 -0.67 0.00 0.00 178.83 179.07 1w2q h HIS 31 N 0.30 0.00 0.00 2.96 2.76 0.14 -2.01 115.15 119.30 1w2q h HIS 31 Ca 0.07 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.88 1w2q h HIS 31 Cb 0.26 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1w2q h HIS 31 CO 0.01 0.00 -2.21 0.44 -1.30 0.00 0.00 177.93 174.86 1w2q n ILE 32 N -2.94 1.20 -0.13 6.26 -5.35 -0.39 -3.59 119.36 114.42 1w2q n ILE 32 Ca 0.02 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 1w2q n ILE 32 Cb 0.35 -1.64 -0.01 0.00 -1.74 0.00 0.00 39.64 36.61 1w2q n ILE 32 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1w2q h MET 33 N -0.56 0.57 -0.28 6.28 2.86 0.82 -2.09 114.93 122.53 1w2q h MET 33 Ca -0.53 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 56.93 1w2q h MET 33 Cb 1.55 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1w2q h MET 33 CO -0.26 0.50 -0.20 1.96 1.06 0.00 0.00 176.91 179.97 1w2q h GLN 34 N 0.50 0.62 0.18 1.72 4.20 -1.52 -3.10 115.11 117.70 1w2q h GLN 34 Ca 0.14 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1w2q h GLN 34 Cb 0.12 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1w2q h GLN 34 CO -0.02 0.89 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.69 1w2q h ARG 35 N 0.36 -0.43 -1.58 1.46 2.43 -1.58 0.23 114.38 115.28 1w2q h ARG 35 Ca 0.05 0.03 0.47 0.00 -0.81 0.00 0.00 59.98 59.73 1w2q h ARG 35 Cb 0.74 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.30 1w2q h ARG 35 CO 0.05 -0.29 1.10 -0.84 -1.51 0.00 0.00 179.97 178.49 1w2q h ILE 36 N -0.45 0.13 0.00 1.20 3.07 -1.46 2.11 117.51 122.12 1w2q h ILE 36 Ca -0.02 -0.01 -0.19 0.00 1.55 0.00 0.00 64.86 66.19 1w2q h ILE 36 Cb 0.41 0.09 -0.03 0.00 -0.27 0.00 0.00 36.82 37.02 1w2q h ILE 36 CO -0.07 0.01 -0.94 0.24 -1.05 0.00 0.00 178.15 176.34 1w2q h MET 37 N 0.04 0.00 -0.47 0.16 2.86 -1.00 -3.14 114.93 113.38 1w2q h MET 37 Ca 0.82 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.46 1w2q h MET 37 Cb 3.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.68 1w2q h MET 37 CO -0.16 0.84 0.00 0.41 1.06 0.00 0.00 176.91 179.06 1w2q n GLY 38 N 1.33 0.72 0.12 8.32 0.00 0.71 -3.73 105.19 112.65 1w2q n GLY 38 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1w2q n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w2q h GLU 39 N 1.17 0.00 -0.75 1.61 5.08 -1.34 -3.21 114.58 117.13 1w2q h GLU 39 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1w2q h GLU 39 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1w2q h GLU 39 CO 0.05 0.68 0.38 0.37 -1.00 0.00 0.00 179.01 179.49 1w2q h GLN 40 N 0.00 1.06 -6.28 2.33 5.75 -1.81 -3.43 115.11 112.72 1w2q h GLN 40 Ca -0.01 -0.14 -0.60 0.00 -0.15 0.00 0.00 58.65 57.76 1w2q h GLN 40 Cb 1.44 -0.20 -0.13 0.00 1.07 0.00 0.00 27.48 29.66 1w2q h GLN 40 CO 0.09 0.80 -0.72 -1.21 -2.65 0.00 0.00 178.83 175.14 1w2q s GLU 41 N -5.64 1.95 -0.15 1.69 2.02 -1.21 -5.12 118.70 112.24 1w2q s GLU 41 Ca -0.11 -1.54 -0.05 0.00 0.02 0.00 0.00 54.97 53.29 1w2q s GLU 41 Cb 0.17 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1w2q s GLU 41 CO 0.81 0.37 0.01 -0.65 0.02 0.00 0.00 175.26 175.81 1w2q s GLN 42 N -3.38 3.64 0.58 1.61 -1.52 -1.26 -4.88 119.66 114.45 1w2q s GLN 42 Ca 0.29 -0.43 0.38 0.00 -1.95 0.00 0.00 55.36 53.64 1w2q s GLN 42 Cb -0.06 -3.00 1.88 0.00 -0.22 0.00 0.00 33.01 31.61 1w2q s GLN 42 CO 0.16 0.35 2.14 1.88 -0.25 0.00 0.00 175.29 179.58 1w2q h TYR 43 N 6.37 0.00 -5.44 0.91 0.05 -1.99 -3.46 116.97 113.41 1w2q h TYR 43 Ca -0.37 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.08 1w2q h TYR 43 Cb 1.18 0.00 0.15 0.00 1.01 0.00 0.00 36.73 39.08 1w2q h TYR 43 CO 0.56 0.00 -0.70 -0.25 -1.05 0.00 0.00 178.16 176.72 1w2q n ASP 44 N -2.97 -2.98 -4.57 3.88 8.00 -1.26 -5.01 116.55 111.64 1w2q n ASP 44 Ca -0.01 -0.56 -0.28 0.00 0.71 0.00 0.00 54.79 54.64 1w2q n ASP 44 Cb 0.16 -4.81 -0.10 0.00 -0.02 0.00 0.00 41.12 36.35 1w2q n ASP 44 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1w2q s SER 45 N -4.05 4.31 0.08 -2.24 0.01 -1.26 -5.13 113.70 105.42 1w2q s SER 45 Ca 0.13 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.98 1w2q s SER 45 Cb -0.06 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.36 1w2q s SER 45 CO 0.68 0.15 -0.10 -0.31 0.41 0.00 0.00 173.24 174.07 1w2q s TYR 46 N -1.41 2.75 0.48 2.43 2.02 -1.24 -5.00 117.35 117.38 1w2q s TYR 46 Ca 0.23 -0.14 0.19 0.00 -0.37 0.00 0.00 57.07 56.97 1w2q s TYR 46 Cb -0.10 -1.47 1.20 0.00 -0.40 0.00 0.00 41.96 41.19 1w2q s TYR 46 CO 0.14 0.40 1.99 -0.44 -1.57 0.00 0.00 175.55 176.06 1w2q h ASP 47 N 3.88 0.20 -0.86 2.29 3.32 -2.03 0.25 116.42 123.48 1w2q h ASP 47 Ca -0.49 0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.65 1w2q h ASP 47 Cb 1.17 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 1w2q h ASP 47 CO 0.52 0.11 0.56 0.40 -1.72 0.00 0.00 179.24 179.11 1w2q h ILE 48 N 0.22 1.01 -3.46 0.35 2.04 -2.05 -3.40 117.51 112.22 1w2q h ILE 48 Ca 0.27 -0.31 -0.52 0.00 1.00 0.00 0.00 64.86 65.30 1w2q h ILE 48 Cb 0.75 0.03 -0.33 0.00 -0.74 0.00 0.00 36.82 36.53 1w2q h ILE 48 CO -0.05 0.16 -0.82 -0.60 0.00 0.00 0.00 178.15 176.85 1w2q s ARG 49 N -5.81 1.74 0.13 2.37 3.52 0.08 -5.14 118.95 115.84 1w2q s ARG 49 Ca -0.11 -0.44 0.10 0.00 -0.13 0.00 0.00 55.73 55.16 1w2q s ARG 49 Cb 0.20 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 32.12 1w2q s ARG 49 CO 0.79 0.05 -0.24 -1.12 -0.81 0.00 0.00 175.30 173.97 1w2q s SER 50 N 0.59 3.49 0.53 -2.12 0.01 -1.26 -3.72 113.70 111.22 1w2q s SER 50 Ca -0.14 -0.70 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 1w2q s SER 50 Cb -0.15 -0.32 -0.07 0.00 0.21 0.00 0.00 66.02 65.69 1w2q s SER 50 CO 0.04 0.18 1.00 0.42 0.41 0.00 0.00 173.24 175.29 1w2q s THR 51 N -1.12 4.32 0.28 1.44 -4.23 -1.26 -4.95 115.64 110.12 1w2q s THR 51 Ca 0.15 1.13 0.03 0.00 -1.18 0.00 0.00 61.69 61.83 1w2q s THR 51 Cb -0.10 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.17 1w2q s THR 51 CO 0.07 -0.62 1.70 0.03 -0.54 0.00 0.00 174.62 175.26 1w2q h ARG 52 N 0.83 0.41 -0.06 3.99 3.08 -2.01 -2.50 114.38 118.12 1w2q h ARG 52 Ca -0.47 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.39 1w2q h ARG 52 Cb 1.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1w2q h ARG 52 CO 0.60 0.69 -0.06 0.66 -1.07 0.00 0.00 179.97 180.79 1w2q h SER 53 N 0.36 0.08 0.87 7.04 4.64 -2.03 -0.52 113.55 123.99 1w2q h SER 53 Ca 0.05 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1w2q h SER 53 Cb 0.74 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1w2q h SER 53 CO 0.06 0.16 -0.18 0.77 -0.87 0.00 0.00 176.83 176.77 1w2q h SER 54 N 0.08 0.00 1.09 4.97 4.64 -1.83 -2.39 113.55 120.11 1w2q h SER 54 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1w2q h SER 54 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1w2q h SER 54 CO 0.01 0.18 -0.00 0.44 -0.87 0.00 0.00 176.83 176.58 1w2q h ASP 55 N 0.00 0.00 -0.04 4.97 3.32 -1.09 -2.81 116.42 120.77 1w2q h ASP 55 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1w2q h ASP 55 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1w2q h ASP 55 CO 0.02 0.00 -0.04 -0.61 -1.72 0.00 0.00 179.24 176.89 1w2q h GLN 56 N 0.00 0.10 -0.67 3.56 4.15 -1.45 -3.08 115.11 117.71 1w2q h GLN 56 Ca -0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 1w2q h GLN 56 Cb 0.55 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1w2q h GLN 56 CO 0.00 0.57 0.14 1.96 -1.93 0.00 0.00 178.83 179.58 1w2q h GLN 57 N -0.37 1.08 0.00 1.69 4.20 -1.65 -1.49 115.11 118.57 1w2q h GLN 57 Ca 0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1w2q h GLN 57 Cb 0.56 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1w2q h GLN 57 CO 0.01 0.97 0.10 1.96 -0.67 0.00 0.00 178.83 181.20 1w2q h GLN 58 N 1.02 0.00 -0.35 1.46 4.20 -1.48 -1.16 115.11 118.80 1w2q h GLN 58 Ca 0.21 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 1w2q h GLN 58 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1w2q h GLN 58 CO 0.01 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.12 1w2q h ARG 59 N 0.00 0.66 0.00 1.46 3.08 -1.18 -2.55 114.38 115.85 1w2q h ARG 59 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1w2q h ARG 59 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1w2q h ARG 59 CO 0.00 0.80 0.00 0.00 -1.07 0.00 0.00 179.97 179.70 1w2q h ASP 62 N 0.06 0.80 -0.07 0.00 3.32 -0.35 -0.08 116.42 120.09 1w2q h ASP 62 Ca 0.64 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.72 1w2q h ASP 62 Cb 1.41 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1w2q h ASP 62 CO -0.82 0.43 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.78 1w2q h GLU 63 N 0.88 0.15 0.00 3.56 5.08 1.11 -1.84 114.58 123.52 1w2q h GLU 63 Ca 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1w2q h GLU 63 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1w2q h GLU 63 CO -0.27 0.49 0.06 1.28 -1.00 0.00 0.00 179.01 179.57 1w2q n LEU 64 N -4.79 0.29 0.19 1.33 4.32 -0.43 0.73 117.00 118.62 1w2q n LEU 64 Ca -0.07 0.60 0.05 0.00 -0.02 0.00 0.00 56.01 56.57 1w2q n LEU 64 Cb 0.24 -0.62 0.34 0.00 -1.62 0.00 0.00 43.42 41.75 1w2q n LEU 64 CO 0.35 -0.70 0.68 -1.13 -1.22 0.00 0.00 177.39 175.38 1w2q h ASN 65 N 0.00 0.00 0.00 -1.43 -1.24 -0.16 -3.42 115.58 109.33 1w2q h ASN 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1w2q h ASN 65 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1w2q h ASN 65 CO 0.00 0.38 0.00 -1.84 -1.29 0.00 0.00 177.43 174.68 1w2q n GLU 66 N -3.55 0.00 -0.07 6.67 0.28 0.50 -4.97 120.64 119.50 1w2q n GLU 66 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.90 1w2q n GLU 66 Cb 0.51 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.43 1w2q n GLU 66 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1w2q h MET 67 N 0.00 0.75 0.00 3.44 2.86 0.11 -2.32 114.93 119.77 1w2q h MET 67 Ca 0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1w2q h MET 67 Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1w2q h MET 67 CO 0.00 0.98 0.00 0.39 1.06 0.00 0.00 176.91 179.34 1w2q n GLU 68 N -4.06 0.93 -3.15 1.72 -0.58 0.14 -4.84 120.64 110.80 1w2q n GLU 68 Ca -0.01 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1w2q n GLU 68 Cb 0.50 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1w2q n GLU 68 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1w2q n ASN 69 N -0.82 -2.14 -4.38 1.62 5.03 -0.88 -4.73 115.26 108.95 1w2q n ASN 69 Ca 0.15 -0.13 -0.49 0.00 0.87 0.00 0.00 54.58 54.97 1w2q n ASN 69 Cb 0.07 -1.88 -0.04 0.00 -1.02 0.00 0.00 39.78 36.91 1w2q n ASN 69 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1w2q n THR 70 N -3.28 1.71 0.23 3.41 -2.24 -1.26 -4.86 114.28 107.99 1w2q n THR 70 Ca 0.01 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1w2q n THR 70 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1w2q n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w2q n GLN 71 N 1.06 1.81 0.00 -0.78 6.02 -1.26 -4.97 117.38 119.26 1w2q n GLN 71 Ca 0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1w2q n GLN 71 Cb 0.23 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1w2q n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w2q n GLY 72 N 1.58 0.62 1.88 1.08 0.00 -1.26 -4.99 105.19 104.10 1w2q n GLY 72 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1w2q n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2q h MET 74 N 0.97 0.23 -0.64 0.00 4.05 -1.98 0.31 114.93 117.86 1w2q h MET 74 Ca 0.41 -0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.93 1w2q h MET 74 Cb 1.81 -0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 32.44 1w2q h MET 74 CO 0.83 0.15 -0.35 0.00 0.23 0.00 0.00 176.91 177.77 1w2q h GLU 76 N -0.15 0.00 0.03 0.00 4.81 -1.33 0.67 114.58 118.61 1w2q h GLU 76 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1w2q h GLU 76 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1w2q h GLU 76 CO -0.72 0.02 -0.01 0.00 -0.73 0.00 0.00 179.01 177.56 1w2q h ALA 77 N 1.98 -0.04 -0.11 2.92 0.00 0.34 -2.42 119.26 121.94 1w2q h ALA 77 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1w2q h ALA 77 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1w2q h ALA 77 CO 0.00 -0.05 0.06 1.25 0.00 0.00 0.00 179.25 180.52 1w2q h LEU 78 N -0.99 0.11 -0.95 0.00 7.12 0.12 -1.43 115.31 119.28 1w2q h LEU 78 Ca -0.00 -0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.18 1w2q h LEU 78 Cb 0.37 -0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 40.38 1w2q h LEU 78 CO 0.01 0.08 0.55 1.56 -0.13 0.00 0.00 178.44 180.50 1w2q h GLN 79 N 0.13 0.71 0.01 1.25 4.20 0.21 -0.69 115.11 120.93 1w2q h GLN 79 Ca 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1w2q h GLN 79 Cb -0.01 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1w2q h GLN 79 CO -0.02 0.47 -0.01 1.96 -0.67 0.00 0.00 178.83 180.57 1w2q h GLN 80 N 0.73 -0.02 -0.30 1.46 1.08 -0.79 -2.77 115.11 114.50 1w2q h GLN 80 Ca 0.53 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.77 1w2q h GLN 80 Cb 0.79 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.17 1w2q h GLN 80 CO -0.37 0.14 -0.31 0.82 -0.95 0.00 0.00 178.83 178.16 1w2q h ILE 81 N -0.17 0.00 -0.95 2.54 2.04 -0.14 2.22 117.51 123.04 1w2q h ILE 81 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1w2q h ILE 81 Cb 0.17 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.10 1w2q h ILE 81 CO 0.00 0.00 -0.44 0.24 0.00 0.00 0.00 178.15 177.95 1w2q h MET 82 N -0.17 -0.02 -0.26 2.37 2.86 -1.41 0.75 114.93 119.04 1w2q h MET 82 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1w2q h MET 82 Cb 0.30 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1w2q h MET 82 CO -0.37 -0.02 -0.26 1.49 1.06 0.00 0.00 176.91 178.82 1w2q h GLU 83 N -0.02 0.51 -0.28 1.72 4.81 -0.75 3.13 114.58 123.70 1w2q h GLU 83 Ca 0.29 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1w2q h GLU 83 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1w2q h GLU 83 CO -0.95 0.73 0.43 -0.97 -0.73 0.00 0.00 179.01 177.53 1w2q h ASN 84 N 0.45 0.00 0.00 1.04 -0.73 1.02 -2.21 115.58 115.15 1w2q h ASN 84 Ca 0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1w2q h ASN 84 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1w2q h ASN 84 CO 0.05 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.11 1w2q n GLN 85 N -3.41 0.14 0.00 6.67 1.13 -0.77 -5.03 117.38 116.11 1w2q n GLN 85 Ca 0.04 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 1w2q n GLN 85 Cb 0.57 -0.54 0.00 0.00 0.11 0.00 0.00 30.24 30.38 1w2q n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1w2q h ASP 87 N 0.00 0.62 -1.97 0.00 3.58 -1.65 -3.06 116.42 113.94 1w2q h ASP 87 Ca 0.00 -0.05 -0.54 0.00 0.42 0.00 0.00 57.03 56.85 1w2q h ASP 87 Cb 0.00 -0.16 -0.37 0.00 1.72 0.00 0.00 39.33 40.52 1w2q h ASP 87 CO 0.00 0.49 -1.04 -1.14 -2.88 0.00 0.00 179.24 174.67 1w2q n ARG 88 N -4.68 0.59 -0.02 0.28 0.63 -1.26 -4.60 116.66 107.59 1w2q n ARG 88 Ca 0.03 -3.12 0.01 0.00 -0.92 0.00 0.00 57.85 53.84 1w2q n ARG 88 Cb 0.05 -1.33 0.03 0.00 0.45 0.00 0.00 32.46 31.66 1w2q n ARG 88 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1w2q n LEU 89 N 1.76 0.26 -0.36 6.15 -0.00 -1.26 -4.15 117.00 119.40 1w2q n LEU 89 Ca 0.22 -0.13 0.36 0.00 -0.00 0.00 0.00 56.01 56.47 1w2q n LEU 89 Cb 0.52 -0.03 0.61 0.00 -0.00 0.00 0.00 43.42 44.52 1w2q n LEU 89 CO 0.15 0.07 1.33 1.56 -0.00 0.00 0.00 177.39 180.50 1w2q h GLN 90 N 0.29 0.00 -0.76 1.47 4.20 -1.91 0.80 115.11 119.19 1w2q h GLN 90 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1w2q h GLN 90 Cb 0.07 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1w2q h GLN 90 CO 0.00 0.00 0.47 -0.44 -0.67 0.00 0.00 178.83 178.19 1w2q h ASP 91 N 0.00 0.77 -3.96 1.46 3.32 -1.88 -3.42 116.42 112.71 1w2q h ASP 91 Ca 0.62 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 57.18 1w2q h ASP 91 Cb 3.03 -0.16 0.04 0.00 0.22 0.00 0.00 39.33 42.45 1w2q h ASP 91 CO -0.01 0.53 0.26 -0.13 -1.72 0.00 0.00 179.24 178.17 1w2q s ARG 92 N -6.10 3.66 0.18 3.56 0.52 0.28 -4.98 118.95 116.07 1w2q s ARG 92 Ca -0.13 0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 55.56 1w2q s ARG 92 Cb 0.16 -2.24 0.06 0.00 0.52 0.00 0.00 34.95 33.46 1w2q s ARG 92 CO 0.78 -0.31 1.52 1.96 0.02 0.00 0.00 175.30 179.27 1w2q h GLN 93 N 0.32 0.78 -1.61 3.54 4.20 -1.83 -2.89 115.11 117.63 1w2q h GLN 93 Ca -0.46 -0.41 0.47 0.00 0.06 0.00 0.00 58.65 58.31 1w2q h GLN 93 Cb 1.19 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 1w2q h GLN 93 CO 0.62 1.04 1.34 1.98 -0.67 0.00 0.00 178.83 183.14 1w2q h MET 94 N 0.64 0.00 -0.32 1.46 4.05 -1.93 1.80 114.93 120.62 1w2q h MET 94 Ca 0.05 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.56 1w2q h MET 94 Cb 0.96 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 1w2q h MET 94 CO 0.09 0.00 0.23 -0.24 0.23 0.00 0.00 176.91 177.22 1w2q h VAL 95 N 0.00 0.86 0.00 -5.77 3.04 -1.73 0.24 116.25 112.88 1w2q h VAL 95 Ca 0.76 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.44 1w2q h VAL 95 Cb 3.44 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.54 1w2q h VAL 95 CO -0.01 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1w2q n GLN 96 N -4.45 0.00 -0.32 4.17 6.02 0.61 -0.12 117.38 123.29 1w2q n GLN 96 Ca 0.05 0.10 0.22 0.00 -0.01 0.00 0.00 57.00 57.36 1w2q n GLN 96 Cb 0.38 -0.74 0.44 0.00 1.02 0.00 0.00 30.24 31.34 1w2q n GLN 96 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 97 N 0.00 0.12 0.45 -1.09 4.20 -1.66 0.96 115.11 118.09 1w2q h GLN 97 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1w2q h GLN 97 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1w2q h GLN 97 CO 0.00 0.08 -0.22 0.35 -0.67 0.00 0.00 178.83 178.38 1w2q h PHE 98 N 0.13 -0.56 -0.23 2.96 3.57 -0.63 0.15 116.94 122.33 1w2q h PHE 98 Ca 0.71 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.26 1w2q h PHE 98 Cb 1.66 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1w2q h PHE 98 CO -0.16 -0.26 0.18 0.87 -2.23 0.00 0.00 178.31 176.71 1w2q h LYS 99 N -0.82 0.00 0.36 1.11 1.57 0.32 0.24 116.57 119.34 1w2q h LYS 99 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1w2q h LYS 99 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1w2q h LYS 99 CO 0.10 0.00 -0.17 -0.09 -0.57 0.00 0.00 179.45 178.72 1w2q h ARG 100 N 0.00 -0.46 -0.62 3.15 2.43 0.13 -2.59 114.38 116.41 1w2q h ARG 100 Ca 0.11 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1w2q h ARG 100 Cb 0.48 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1w2q h ARG 100 CO -0.00 -0.18 0.41 0.93 -1.51 0.00 0.00 179.97 179.62 1w2q h GLU 101 N -1.03 0.55 -0.54 0.20 4.39 -0.15 -0.80 114.58 117.21 1w2q h GLU 101 Ca -0.05 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1w2q h GLU 101 Cb 0.49 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 1w2q h GLU 101 CO 0.08 0.36 0.27 -0.07 -1.16 0.00 0.00 179.01 178.49 1w2q h LEU 102 N 0.57 0.37 -2.06 1.33 3.38 -0.50 0.22 115.31 118.62 1w2q h LEU 102 Ca 0.27 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.39 1w2q h LEU 102 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1w2q h LEU 102 CO -0.08 0.25 0.31 0.24 0.09 0.00 0.00 178.44 179.25 1w2q h MET 103 N 0.51 0.00 0.07 1.13 2.86 -0.73 0.83 114.93 119.59 1w2q h MET 103 Ca 0.24 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.62 1w2q h MET 103 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1w2q h MET 103 CO -0.18 0.00 -1.27 0.77 1.06 0.00 0.00 176.91 177.30 1w2q h SER 104 N 0.00 0.22 -0.85 1.22 0.02 -0.57 -3.33 113.55 110.25 1w2q h SER 104 Ca 0.18 -0.26 0.21 0.00 -0.84 0.00 0.00 61.79 61.07 1w2q h SER 104 Cb 0.80 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.11 1w2q h SER 104 CO -0.00 1.21 0.00 -0.07 -1.14 0.00 0.00 176.83 176.83 1w2q h LEU 105 N 0.04 -0.42 0.00 5.07 3.38 0.74 1.95 115.31 126.06 1w2q h LEU 105 Ca -0.13 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1w2q h LEU 105 Cb 1.91 0.41 0.00 0.00 0.09 0.00 0.00 40.66 43.07 1w2q h LEU 105 CO 0.15 -0.24 0.00 -0.81 0.09 0.00 0.00 178.44 177.63 1w2q n PRO 106 N -5.41 0.20 -0.08 1.13 -0.04 -1.23 -2.54 135.00 127.02 1w2q n PRO 106 Ca 0.17 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.55 1w2q n PRO 106 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 1w2q n PRO 106 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1w2q n GLN 107 N -1.22 0.62 0.30 0.54 6.02 0.66 0.24 117.38 124.53 1w2q n GLN 107 Ca 0.06 0.46 0.15 0.00 -0.01 0.00 0.00 57.00 57.66 1w2q n GLN 107 Cb 0.08 -1.71 0.74 0.00 1.02 0.00 0.00 30.24 30.37 1w2q n GLN 107 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1w2q h GLN 108 N -0.72 0.00 0.00 -1.09 4.20 -1.18 0.33 115.11 116.65 1w2q h GLN 108 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1w2q h GLN 108 Cb 1.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1w2q h GLN 108 CO -0.16 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.00 1w2q n ASN 110 N -0.21 -4.91 -2.59 0.00 3.02 0.11 -4.84 115.26 105.84 1w2q n ASN 110 Ca 0.00 0.15 -0.20 0.00 -0.03 0.00 0.00 54.58 54.50 1w2q n ASN 110 Cb 0.13 -2.93 -0.09 0.00 -0.61 0.00 0.00 39.78 36.27 1w2q n ASN 110 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1w2q n PHE 111 N -2.43 0.88 -0.41 3.10 3.72 0.66 -4.61 117.46 118.37 1w2q n PHE 111 Ca -0.06 -1.88 0.33 0.00 -0.05 0.00 0.00 57.45 55.80 1w2q n PHE 111 Cb 0.39 -1.75 0.61 0.00 -0.94 0.00 0.00 39.48 37.79 1w2q n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1w2q h ARG 112 N 4.35 0.14 -4.38 -1.08 3.08 -1.87 -3.43 114.38 111.19 1w2q h ARG 112 Ca 0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1w2q h ARG 112 Cb 0.83 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1w2q h ARG 112 CO 0.88 0.09 -1.00 0.00 -1.07 0.00 0.00 179.97 178.87 1w2q n ALA 113 N -2.47 -2.00 0.27 0.04 0.00 -1.26 -4.75 120.51 110.34 1w2q n ALA 113 Ca 0.35 0.50 0.16 0.00 0.00 0.00 0.00 53.44 54.45 1w2q n ALA 113 Cb 1.30 -1.50 0.67 0.00 0.00 0.00 0.00 19.45 19.92 1w2q n ALA 113 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1w2q h PRO 114 N 3.78 0.00 -5.26 0.00 0.13 -2.01 -3.44 132.00 125.20 1w2q h PRO 114 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 1w2q h PRO 114 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1w2q h PRO 114 CO 0.00 0.05 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.41 1w2q s GLN 115 N -3.71 0.93 0.00 0.86 -0.21 -1.26 -5.03 119.66 111.24 1w2q s GLN 115 Ca 0.01 -1.16 0.15 0.00 0.02 0.00 0.00 55.36 54.37 1w2q s GLN 115 Cb 0.10 -0.77 0.31 0.00 1.00 0.00 0.00 33.01 33.65 1w2q s GLN 115 CO 0.56 0.15 1.22 0.54 -2.12 0.00 0.00 175.29 175.63 1w2q n ARG 116 N 0.67 2.22 -2.80 2.91 1.74 -1.26 -5.03 116.66 115.11 1w2q n ARG 116 Ca -0.17 -1.95 -0.01 0.00 -0.77 0.00 0.00 57.85 54.95 1w2q n ARG 116 Cb 0.57 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.66 1w2q n ARG 116 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1w2q n ASP 118 N 1.00 5.50 -4.62 0.00 5.68 -1.26 -4.91 116.55 117.93 1w2q n ASP 118 Ca -0.05 -3.00 -0.40 0.00 -0.50 0.00 0.00 54.79 50.84 1w2q n ASP 118 Cb 0.17 -0.69 -0.07 0.00 -1.14 0.00 0.00 41.12 39.39 1w2q n ASP 118 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1w2q s LEU 119 N -2.83 4.07 -0.26 -2.12 2.96 -1.26 -4.92 118.68 114.31 1w2q s LEU 119 Ca 0.54 0.55 0.12 0.00 -0.22 0.00 0.00 54.13 55.12 1w2q s LEU 119 Cb 0.42 -2.67 0.55 0.00 0.50 0.00 0.00 46.19 44.99 1w2q s LEU 119 CO 0.15 -0.27 1.51 0.47 -1.32 0.00 0.00 176.35 176.89 1w2q n ASP 120 N 5.42 3.31 0.32 3.68 8.00 -1.26 -4.61 116.55 131.40 1w2q n ASP 120 Ca -0.04 -3.43 0.20 0.00 0.71 0.00 0.00 54.79 52.23 1w2q n ASP 120 Cb 0.50 -0.63 1.09 0.00 -0.02 0.00 0.00 41.12 42.06 1w2q n ASP 120 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1w2q h VAL 121 N 1.44 0.11 -4.37 2.53 3.04 -2.00 -3.42 116.25 113.58 1w2q h VAL 121 Ca 0.17 0.00 -0.50 0.00 -1.01 0.00 0.00 66.70 65.36 1w2q h VAL 121 Cb 1.73 0.93 0.08 0.00 -2.01 0.00 0.00 31.29 32.03 1w2q h VAL 121 CO 0.41 0.00 0.39 -0.94 -1.01 0.00 0.00 177.57 176.43 1w2q s SER 122 N -5.22 5.60 0.23 3.17 1.04 -1.26 -5.08 113.70 112.17 1w2q s SER 122 Ca -0.05 1.41 0.04 0.00 0.48 0.00 0.00 55.95 57.83 1w2q s SER 122 Cb 0.13 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1w2q s SER 122 CO 0.42 -1.28 -0.01 -0.83 0.98 0.00 0.00 173.24 172.52 1w2q s GLY 123 N -4.06 1.53 0.00 7.32 0.00 -1.26 -4.86 107.32 105.99 1w2q s GLY 123 Ca 0.57 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1w2q s GLY 123 CO 0.54 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1w2q n GLY 124 N -0.41 5.00 0.11 0.20 0.00 -1.26 -4.63 105.19 104.20 1w2q n GLY 124 Ca -0.05 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 1w2q n GLY 124 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w2q h ARG 125 N 0.00 0.19 -0.85 1.61 3.08 -1.93 -3.30 114.38 113.18 1w2q h ARG 125 Ca 0.00 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1w2q h ARG 125 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1w2q h ARG 125 CO 0.00 1.16 0.05 0.00 -1.07 0.00 0.00 179.97 180.11