#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y n ILE 2 N 0.00 0.00 -3.80 -0.61 -5.35 -1.26 -5.11 119.36 103.23 1q7y n ILE 2 Ca 0.00 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 1q7y n ILE 2 Cb 0.00 -1.71 -0.09 0.00 -1.74 0.00 0.00 39.64 36.10 1q7y n ILE 2 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1q7y s SER 3 N -2.21 -0.11 0.15 7.28 0.01 -1.26 -5.09 113.70 112.46 1q7y s SER 3 Ca 0.19 -0.04 -0.33 0.00 1.31 0.00 0.00 55.95 57.08 1q7y s SER 3 Cb -0.01 0.28 -0.13 0.00 0.21 0.00 0.00 66.02 66.37 1q7y s SER 3 CO 0.13 -0.44 1.66 -1.22 0.41 0.00 0.00 173.24 173.79 1q7y n TYR 4 N 1.27 2.42 1.27 2.43 4.02 -1.26 -4.81 117.16 122.50 1q7y n TYR 4 Ca -0.22 0.15 0.13 0.00 -0.01 0.00 0.00 57.90 57.95 1q7y n TYR 4 Cb 0.56 -2.60 0.39 0.00 -0.02 0.00 0.00 39.34 37.67 1q7y n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1q7y n SER 5 N 4.05 1.05 -4.36 7.72 3.41 -1.26 -4.89 113.62 119.34 1q7y n SER 5 Ca 0.17 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.61 1q7y n SER 5 Cb 0.31 0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1q7y n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q7y s VAL 6 N -2.46 2.01 0.06 -3.33 1.01 -1.26 -5.13 120.40 111.29 1q7y s VAL 6 Ca 0.25 -1.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.11 1q7y s VAL 6 Cb 0.19 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1q7y s VAL 6 CO 0.50 -0.22 0.60 -1.61 0.00 0.00 0.00 175.10 174.38 1q7y s GLU 7 N -2.66 4.28 -0.09 2.72 2.02 -1.26 -5.08 118.70 118.63 1q7y s GLU 7 Ca 0.17 0.78 0.01 0.00 0.02 0.00 0.00 54.97 55.95 1q7y s GLU 7 Cb -0.07 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.90 1q7y s GLU 7 CO 0.08 0.54 -0.10 0.00 0.02 0.00 0.00 175.26 175.80 1q7y s ALA 8 N -0.81 1.30 -0.07 5.21 0.00 -1.26 -5.11 121.76 121.02 1q7y s ALA 8 Ca 0.30 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1q7y s ALA 8 Cb -0.19 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1q7y s ALA 8 CO 0.19 -0.13 1.46 0.34 0.00 0.00 0.00 175.76 177.61 1q7y s ASP 9 N 1.14 6.81 0.55 0.00 -1.08 -1.26 -4.89 116.67 117.95 1q7y s ASP 9 Ca -0.05 2.04 0.28 0.00 -0.52 0.00 0.00 52.55 54.29 1q7y s ASP 9 Cb -0.14 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.40 1q7y s ASP 9 CO -0.02 -0.81 2.16 1.55 0.52 0.00 0.00 175.17 178.57 1q7y h PRO 10 N 8.59 0.00 0.00 4.34 0.13 -2.00 -2.10 132.00 140.96 1q7y h PRO 10 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1q7y h PRO 10 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1q7y h PRO 10 CO 0.94 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.53 1q7y n ASP 11 N -3.75 0.29 -1.24 1.44 8.00 -1.26 -3.64 116.55 116.39 1q7y n ASP 11 Ca -0.02 0.54 0.01 0.00 0.71 0.00 0.00 54.79 56.02 1q7y n ASP 11 Cb 0.16 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1q7y n ASP 11 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1q7y n THR 12 N -1.78 0.00 -3.68 -3.53 -2.24 -1.14 -5.07 114.28 96.84 1q7y n THR 12 Ca 0.06 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 1q7y n THR 12 Cb 0.33 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 1q7y n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1q7y s THR 13 N 0.00 -0.29 -0.03 4.28 2.01 -0.80 -2.62 115.64 118.19 1q7y s THR 13 Ca 0.22 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1q7y s THR 13 Cb 0.25 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1q7y s THR 13 CO -0.11 0.07 -0.09 0.00 -0.69 0.00 0.00 174.62 173.80 1q7y s ALA 14 N 1.93 2.90 0.23 7.40 0.00 -1.14 -4.69 121.76 128.39 1q7y s ALA 14 Ca -0.05 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1q7y s ALA 14 Cb -0.10 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 1q7y s ALA 14 CO -0.11 0.58 -0.18 0.15 0.00 0.00 0.00 175.76 176.20 1q7y s LYS 15 N -1.06 1.47 0.18 0.00 1.02 -1.26 -0.12 119.74 119.97 1q7y s LYS 15 Ca 0.14 -1.63 -0.23 0.00 0.02 0.00 0.00 55.97 54.27 1q7y s LYS 15 Cb -0.11 -1.46 0.06 0.00 -0.52 0.00 0.00 37.83 35.80 1q7y s LYS 15 CO 0.04 0.27 0.65 0.00 -0.92 0.00 0.00 175.35 175.38 1q7y s ALA 16 N -2.57 -1.52 -0.06 5.17 0.00 -0.46 -4.75 121.76 117.58 1q7y s ALA 16 Ca 0.24 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 1q7y s ALA 16 Cb -0.04 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1q7y s ALA 16 CO 0.10 -0.84 0.63 -1.64 0.00 0.00 0.00 175.76 174.01 1q7y s MET 17 N -3.76 0.99 0.08 0.00 -1.94 -1.26 -1.62 119.30 111.79 1q7y s MET 17 Ca 0.04 0.24 0.05 0.00 -1.71 0.00 0.00 55.69 54.31 1q7y s MET 17 Cb -0.02 0.47 -0.04 0.00 2.01 0.00 0.00 34.83 37.24 1q7y s MET 17 CO -0.08 -0.30 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.08 1q7y s LEU 18 N -1.12 3.27 -0.06 -0.03 1.43 -0.60 -4.96 118.68 116.61 1q7y s LEU 18 Ca -0.11 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1q7y s LEU 18 Cb -0.01 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1q7y s LEU 18 CO 0.09 0.19 -0.07 -0.13 0.23 0.00 0.00 176.35 176.67 1q7y s ARG 19 N -2.12 1.11 -1.56 1.70 1.81 -1.26 -2.25 118.95 116.37 1q7y s ARG 19 Ca 0.23 -0.19 -0.10 0.00 -1.72 0.00 0.00 55.73 53.95 1q7y s ARG 19 Cb -0.11 -1.05 0.08 0.00 -0.45 0.00 0.00 34.95 33.41 1q7y s ARG 19 CO 0.15 -0.07 0.62 0.39 -0.68 0.00 0.00 175.30 175.71 1q7y n GLU 20 N 4.10 -3.33 -2.35 3.54 1.02 -0.92 -4.92 120.64 117.79 1q7y n GLU 20 Ca -0.22 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1q7y n GLU 20 Cb 0.51 -4.84 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 1q7y n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1q7y s ARG 21 N -6.77 4.40 -1.19 3.49 1.81 0.18 -4.53 118.95 116.34 1q7y s ARG 21 Ca 0.41 1.86 -0.15 0.00 -1.72 0.00 0.00 55.73 56.12 1q7y s ARG 21 Cb -0.22 -3.33 0.15 0.00 -0.45 0.00 0.00 34.95 31.10 1q7y s ARG 21 CO 0.91 -0.32 1.45 -0.65 -0.68 0.00 0.00 175.30 176.00 1q7y s GLN 22 N 1.14 4.03 0.27 3.54 -0.21 -1.26 0.15 119.66 127.31 1q7y s GLN 22 Ca 0.60 -2.41 -0.04 0.00 0.02 0.00 0.00 55.36 53.53 1q7y s GLN 22 Cb -0.31 -5.11 -0.02 0.00 1.00 0.00 0.00 33.01 28.56 1q7y s GLN 22 CO 0.29 -1.84 0.35 0.00 -2.12 0.00 0.00 175.29 171.97 1q7y s MET 23 N 2.06 1.57 -0.22 2.91 0.23 -1.20 -4.94 119.30 119.71 1q7y s MET 23 Ca 0.43 -1.61 -0.30 0.00 -1.03 0.00 0.00 55.69 53.19 1q7y s MET 23 Cb -0.02 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1q7y s MET 23 CO 0.00 -0.61 2.19 0.45 -2.03 0.00 0.00 175.02 175.02 1q7y n SER 24 N -0.79 3.12 0.29 -1.18 2.88 -1.26 -4.50 113.62 112.18 1q7y n SER 24 Ca 0.01 0.31 0.19 0.00 -1.33 0.00 0.00 58.87 58.05 1q7y n SER 24 Cb 0.63 -1.50 0.84 0.00 -0.75 0.00 0.00 64.21 63.43 1q7y n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1q7y h PHE 25 N 14.13 0.00 0.00 0.66 3.57 -1.94 -2.60 116.94 130.76 1q7y h PHE 25 Ca -0.39 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 60.91 1q7y h PHE 25 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1q7y h PHE 25 CO 0.94 0.01 -0.87 0.87 -2.23 0.00 0.00 178.31 177.03 1q7y h LYS 26 N 0.00 0.20 -0.14 1.11 1.57 -2.01 -2.52 116.57 114.78 1q7y h LYS 26 Ca -0.00 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.34 1q7y h LYS 26 Cb 0.36 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1q7y h LYS 26 CO 0.00 0.95 -0.78 0.45 -0.57 0.00 0.00 179.45 179.50 1q7y h HIS 27 N 0.11 1.05 -0.38 -1.35 3.86 -1.93 -3.03 115.15 113.48 1q7y h HIS 27 Ca -0.04 -0.47 0.07 0.00 -1.16 0.00 0.00 60.37 58.77 1q7y h HIS 27 Cb 1.50 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 29.74 1q7y h HIS 27 CO 0.03 1.30 -0.06 0.77 0.86 0.00 0.00 177.93 180.83 1q7y h SER 28 N 0.50 -0.28 -0.14 2.45 0.02 -1.34 0.33 113.55 115.08 1q7y h SER 28 Ca -0.06 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1q7y h SER 28 Cb 1.41 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 64.09 1q7y h SER 28 CO 0.16 -0.10 -0.51 0.11 -1.14 0.00 0.00 176.83 175.35 1q7y h LYS 29 N 0.03 -0.53 -0.08 3.45 1.57 -1.39 0.16 116.57 119.78 1q7y h LYS 29 Ca 0.18 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1q7y h LYS 29 Cb 0.28 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1q7y h LYS 29 CO -0.36 -0.36 -0.06 0.00 -0.57 0.00 0.00 179.45 178.10 1q7y h ALA 30 N -0.16 0.01 0.17 3.86 0.00 -1.29 0.34 119.26 122.19 1q7y h ALA 30 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1q7y h ALA 30 Cb 0.67 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1q7y h ALA 30 CO -0.43 -0.53 -0.31 0.82 0.00 0.00 0.00 179.25 178.80 1q7y h ILE 31 N -0.07 0.00 -0.18 0.00 2.04 0.18 0.86 117.51 120.34 1q7y h ILE 31 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1q7y h ILE 31 Cb 0.14 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1q7y h ILE 31 CO -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.92 1q7y n ALA 32 N -2.67 -0.12 -0.29 1.87 0.00 0.50 0.48 120.51 120.28 1q7y n ALA 32 Ca -0.06 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1q7y n ALA 32 Cb 0.26 0.23 0.27 0.00 0.00 0.00 0.00 19.45 20.21 1q7y n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1q7y h ARG 33 N 0.00 0.36 0.74 0.00 2.43 -0.66 -2.68 114.38 114.57 1q7y h ARG 33 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1q7y h ARG 33 Cb 0.07 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1q7y h ARG 33 CO -0.17 0.24 -0.36 1.49 -1.51 0.00 0.00 179.97 179.65 1q7y h GLU 34 N 0.37 -0.97 0.00 0.20 4.57 0.26 -3.25 114.58 115.75 1q7y h GLU 34 Ca 0.52 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1q7y h GLU 34 Cb 0.97 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1q7y h GLU 34 CO -0.53 -0.65 0.00 0.44 -1.18 0.00 0.00 179.01 177.09 1q7y n ILE 35 N -5.53 0.81 -1.69 2.32 -5.35 -0.88 -4.88 119.36 104.16 1q7y n ILE 35 Ca -0.14 0.17 -0.44 0.00 -0.27 0.00 0.00 62.75 62.07 1q7y n ILE 35 Cb 0.41 -1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.22 1q7y n ILE 35 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1q7y n LYS 36 N -2.10 2.59 -0.13 6.28 4.81 -1.03 -1.89 118.16 126.69 1q7y n LYS 36 Ca 0.03 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1q7y n LYS 36 Cb 0.24 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1q7y n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q7y n GLY 37 N 4.01 0.87 3.96 3.14 0.00 -0.05 -5.01 105.19 112.11 1q7y n GLY 37 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1q7y n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q7y s LYS 38 N -0.67 1.34 -0.05 1.61 1.02 -0.79 -4.62 119.74 117.58 1q7y s LYS 38 Ca 0.00 -0.68 -0.15 0.00 0.02 0.00 0.00 55.97 55.16 1q7y s LYS 38 Cb 0.00 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1q7y s LYS 38 CO 0.00 -1.81 0.39 0.99 -0.92 0.00 0.00 175.35 174.01 1q7y s THR 39 N -3.46 5.12 0.44 2.17 2.01 -1.26 -0.61 115.64 120.04 1q7y s THR 39 Ca 0.68 0.79 0.26 0.00 0.31 0.00 0.00 61.69 63.74 1q7y s THR 39 Cb -0.06 -3.71 0.46 0.00 0.01 0.00 0.00 72.50 69.21 1q7y s THR 39 CO 0.48 0.51 1.71 0.00 -0.69 0.00 0.00 174.62 176.63 1q7y h ALA 40 N 5.37 2.58 0.00 7.40 0.00 -0.88 1.30 119.26 135.04 1q7y h ALA 40 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1q7y h ALA 40 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1q7y h ALA 40 CO 0.66 -1.07 0.00 0.78 0.00 0.00 0.00 179.25 179.62 1q7y h GLY 41 N 0.21 0.00 1.30 0.00 0.00 -1.66 -0.48 103.07 102.45 1q7y h GLY 41 Ca 0.69 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.73 1q7y h GLY 41 CO -0.30 0.00 -1.49 0.83 0.00 0.00 0.00 176.54 175.59 1q7y h GLU 42 N 0.00 0.12 0.38 4.80 5.08 0.12 -3.11 114.58 121.97 1q7y h GLU 42 Ca 0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1q7y h GLU 42 Cb 0.75 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1q7y h GLU 42 CO 0.00 0.91 -0.18 0.00 -1.00 0.00 0.00 179.01 178.73 1q7y h ALA 43 N 0.74 -0.51 -0.79 3.43 0.00 -0.18 -1.59 119.26 120.35 1q7y h ALA 43 Ca -0.21 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1q7y h ALA 43 Cb 1.96 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 1q7y h ALA 43 CO 0.13 -0.62 0.43 0.28 0.00 0.00 0.00 179.25 179.46 1q7y h VAL 44 N -0.85 0.86 -0.55 0.00 2.07 -1.22 -0.80 116.25 115.76 1q7y h VAL 44 Ca -0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1q7y h VAL 44 Cb 0.54 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1q7y h VAL 44 CO 0.09 0.13 0.30 0.44 0.02 0.00 0.00 177.57 178.54 1q7y h ASP 45 N 0.70 0.68 0.54 0.57 3.32 -1.50 -2.28 116.42 118.45 1q7y h ASP 45 Ca 0.39 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1q7y h ASP 45 Cb 0.42 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1q7y h ASP 45 CO -0.28 0.58 -0.28 0.22 -1.72 0.00 0.00 179.24 177.77 1q7y h TYR 46 N 0.73 -0.72 -0.95 4.55 3.20 -0.19 -2.44 116.97 121.14 1q7y h TYR 46 Ca 0.19 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.32 1q7y h TYR 46 Cb 0.05 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1q7y h TYR 46 CO -0.01 -0.43 0.75 -0.07 -1.64 0.00 0.00 178.16 176.76 1q7y h LEU 47 N -0.74 0.00 -0.74 2.82 3.38 -1.22 0.42 115.31 119.23 1q7y h LEU 47 Ca -0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1q7y h LEU 47 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1q7y h LEU 47 CO 0.11 0.00 -0.62 -0.33 0.09 0.00 0.00 178.44 177.69 1q7y h GLU 48 N 0.00 0.03 0.00 1.13 5.08 -0.94 0.35 114.58 120.24 1q7y h GLU 48 Ca 0.45 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.58 1q7y h GLU 48 Cb 1.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 1q7y h GLU 48 CO -0.00 0.64 -0.92 0.00 -1.00 0.00 0.00 179.01 177.73 1q7y h ALA 49 N 1.35 0.42 -0.26 3.43 0.00 0.07 -0.89 119.26 123.39 1q7y h ALA 49 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1q7y h ALA 49 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1q7y h ALA 49 CO 0.08 0.86 0.04 0.28 0.00 0.00 0.00 179.25 180.51 1q7y h VAL 50 N 0.18 1.23 -0.34 0.00 2.07 -0.47 0.59 116.25 119.51 1q7y h VAL 50 Ca -0.07 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1q7y h VAL 50 Cb 1.55 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1q7y h VAL 50 CO 0.15 0.25 0.14 0.40 0.02 0.00 0.00 177.57 178.53 1q7y h ILE 51 N 0.24 1.13 0.00 4.57 2.04 -0.88 -1.02 117.51 123.59 1q7y h ILE 51 Ca 0.08 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1q7y h ILE 51 Cb 0.34 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1q7y h ILE 51 CO 0.01 0.16 -0.14 -0.08 0.00 0.00 0.00 178.15 178.10 1q7y h GLU 52 N 0.48 0.00 0.00 2.37 4.57 -0.27 -3.47 114.58 118.26 1q7y h GLU 52 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1q7y h GLU 52 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1q7y h GLU 52 CO -0.01 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.36 1q7y n GLY 53 N 0.43 0.58 0.57 1.92 0.00 0.19 -4.93 105.19 103.95 1q7y n GLY 53 Ca 0.01 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.37 1q7y n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q7y n ASP 54 N 1.37 2.14 -3.73 1.61 8.00 -0.33 -4.88 116.55 120.73 1q7y n ASP 54 Ca 0.00 -1.57 -0.14 0.00 0.71 0.00 0.00 54.79 53.79 1q7y n ASP 54 Cb 0.00 0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.20 1q7y n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1q7y s GLN 55 N -1.81 0.08 0.01 -1.24 2.00 -1.17 -4.97 119.66 112.57 1q7y s GLN 55 Ca 0.18 0.43 -0.05 0.00 -2.00 0.00 0.00 55.36 53.92 1q7y s GLN 55 Cb 0.15 -0.20 -0.05 0.00 0.80 0.00 0.00 33.01 33.71 1q7y s GLN 55 CO 0.34 -0.20 0.24 -1.25 -0.50 0.00 0.00 175.29 173.93 1q7y s PRO 56 N 1.46 3.53 -0.30 1.67 0.04 -1.26 -3.82 135.00 136.32 1q7y s PRO 56 Ca -0.06 -0.16 -0.20 0.00 0.04 0.00 0.00 61.00 60.62 1q7y s PRO 56 Cb -0.12 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1q7y s PRO 56 CO -0.06 0.65 0.63 0.08 0.04 0.00 0.00 177.00 178.33 1q7y s VAL 57 N -1.33 4.95 0.18 -0.36 1.01 0.25 -4.86 120.40 120.24 1q7y s VAL 57 Ca 0.28 0.89 -0.32 0.00 0.00 0.00 0.00 61.98 62.83 1q7y s VAL 57 Cb -0.13 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 1q7y s VAL 57 CO 0.17 -0.12 1.75 -2.65 0.00 0.00 0.00 175.10 174.26 1q7y n PRO 58 N 5.85 2.74 -3.64 2.72 -0.02 -1.26 -0.71 135.00 140.68 1q7y n PRO 58 Ca -0.01 0.99 -0.39 0.00 -2.02 0.00 0.00 63.50 62.07 1q7y n PRO 58 Cb 0.49 -2.84 -0.08 0.00 -0.02 0.00 0.00 33.50 31.04 1q7y n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1q7y s PHE 59 N 1.59 3.49 -0.16 6.00 2.99 -1.01 -4.82 117.98 126.06 1q7y s PHE 59 Ca 0.77 -2.47 0.18 0.00 0.00 0.00 0.00 56.93 55.41 1q7y s PHE 59 Cb -0.51 -3.34 -0.08 0.00 0.00 0.00 0.00 43.02 39.09 1q7y s PHE 59 CO 0.34 -0.90 0.95 0.87 -0.00 0.00 0.00 175.22 176.48 1q7y h LYS 60 N 7.42 0.00 0.00 0.44 1.57 -1.92 -3.40 116.57 120.68 1q7y h LYS 60 Ca -0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 1q7y h LYS 60 Cb 0.99 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1q7y h LYS 60 CO 0.74 0.24 -1.91 0.94 -0.57 0.00 0.00 179.45 178.89 1q7y n GLN 61 N -2.88 0.37 -2.84 3.15 7.27 -1.26 -4.72 117.38 116.47 1q7y n GLN 61 Ca -0.06 0.12 -0.43 0.00 0.07 0.00 0.00 57.00 56.70 1q7y n GLN 61 Cb 0.76 -1.21 0.01 0.00 2.41 0.00 0.00 30.24 32.21 1q7y n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1q7y n HIS 62 N -3.32 2.38 -0.75 3.69 8.25 -1.26 -4.76 115.22 119.44 1q7y n HIS 62 Ca -0.30 -2.60 0.07 0.00 -0.26 0.00 0.00 57.72 54.63 1q7y n HIS 62 Cb 0.77 -1.37 0.17 0.00 1.12 0.00 0.00 29.99 30.68 1q7y n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1q7y n ASN 63 N 1.60 3.05 -4.66 0.41 6.94 -1.26 -4.97 115.26 116.36 1q7y n ASN 63 Ca 0.31 -2.73 -0.42 0.00 -0.02 0.00 0.00 54.58 51.71 1q7y n ASN 63 Cb 0.33 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1q7y n ASN 63 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1q7y s SER 64 N -1.92 6.66 -0.06 0.53 1.04 -1.26 -1.53 113.70 117.16 1q7y s SER 64 Ca 0.31 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.00 1q7y s SER 64 Cb 0.24 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1q7y s SER 64 CO 0.07 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1q7y n GLY 65 N 4.14 0.48 3.77 7.32 0.00 -1.26 -5.00 105.19 114.63 1q7y n GLY 65 Ca 0.17 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1q7y n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q7y s VAL 66 N -1.95 4.47 0.54 1.61 1.01 -0.58 -5.03 120.40 120.47 1q7y s VAL 66 Ca 0.00 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.52 1q7y s VAL 66 Cb 0.00 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1q7y s VAL 66 CO 0.00 0.48 0.98 -0.83 0.00 0.00 0.00 175.10 175.73 1q7y s GLY 67 N -0.86 1.90 0.65 4.51 0.00 -1.26 -4.87 107.32 107.39 1q7y s GLY 67 Ca 0.36 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 45.00 1q7y s GLY 67 CO 0.25 0.31 1.05 0.30 0.00 0.00 0.00 173.10 175.01 1q7y s HIS 68 N -2.79 3.13 -0.08 1.90 0.09 -1.26 -3.63 115.29 112.64 1q7y s HIS 68 Ca 0.57 1.44 -0.01 0.00 -0.00 0.00 0.00 55.06 57.06 1q7y s HIS 68 Cb -0.10 -2.90 0.03 0.00 -0.00 0.00 0.00 32.58 29.60 1q7y s HIS 68 CO 0.39 -1.12 -0.03 0.15 -0.00 0.00 0.00 174.74 174.13 1q7y s LYS 69 N -4.74 0.97 0.55 1.40 -0.14 0.12 -4.87 119.74 113.02 1q7y s LYS 69 Ca 0.59 -0.05 0.23 0.00 -1.36 0.00 0.00 55.97 55.38 1q7y s LYS 69 Cb -0.14 -1.17 1.46 0.00 -1.68 0.00 0.00 37.83 36.30 1q7y s LYS 69 CO 0.49 -0.26 2.12 0.66 -0.76 0.00 0.00 175.35 177.60 1q7y h SER 70 N 8.11 0.00 1.65 2.83 4.64 -1.97 -2.66 113.55 126.15 1q7y h SER 70 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1q7y h SER 70 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1q7y h SER 70 CO 0.34 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.41 1q7y h LYS 71 N 0.00 0.00 -6.90 4.77 1.57 -1.96 -3.45 116.57 110.60 1q7y h LYS 71 Ca 0.07 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.34 1q7y h LYS 71 Cb 0.32 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.69 1q7y h LYS 71 CO -0.00 0.00 0.57 0.08 -0.57 0.00 0.00 179.45 179.53 1q7y s VAL 72 N -3.17 2.94 -0.10 0.50 1.01 -1.01 -4.96 120.40 115.61 1q7y s VAL 72 Ca 0.09 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1q7y s VAL 72 Cb 0.09 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1q7y s VAL 72 CO 0.62 0.15 -0.14 -0.62 0.00 0.00 0.00 175.10 175.11 1q7y s ASP 73 N -0.80 3.96 0.00 3.32 2.15 -1.26 -4.56 116.67 119.48 1q7y s ASP 73 Ca 0.53 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1q7y s ASP 73 Cb -0.35 -1.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 1q7y s ASP 73 CO 0.46 0.23 0.00 0.61 -0.17 0.00 0.00 175.17 176.30 1q7y n GLY 74 N 3.08 0.54 2.76 2.66 0.00 -1.26 -4.93 105.19 108.03 1q7y n GLY 74 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1q7y n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1q7y n TRP 75 N -2.56 -1.79 0.00 1.61 -0.00 -1.26 -5.13 117.44 108.31 1q7y n TRP 75 Ca 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 57.50 55.98 1q7y n TRP 75 Cb 0.06 0.62 0.00 0.00 -0.00 0.00 0.00 31.31 31.99 1q7y n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1q7y n ASP 76 N -1.50 2.28 -4.89 5.87 5.68 -1.26 -4.76 116.55 117.96 1q7y n ASP 76 Ca -0.05 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.94 1q7y n ASP 76 Cb 0.45 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 1q7y n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q7y s ALA 77 N -1.68 3.63 -0.25 2.12 0.00 -1.26 0.13 121.76 124.45 1q7y s ALA 77 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 51.96 51.21 1q7y s ALA 77 Cb 0.00 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 20.97 1q7y s ALA 77 CO 0.00 0.45 1.29 0.20 0.00 0.00 0.00 175.76 177.70 1q7y s GLY 78 N -2.66 -0.06 0.22 0.00 0.00 -1.24 -2.39 107.32 101.19 1q7y s GLY 78 Ca 0.45 2.39 0.05 0.00 0.00 0.00 0.00 44.72 47.61 1q7y s GLY 78 CO 0.25 0.93 0.17 0.54 0.00 0.00 0.00 173.10 175.00 1q7y n ARG 79 N 0.37 0.32 -3.38 2.90 1.74 0.11 -4.82 116.66 113.89 1q7y n ARG 79 Ca -0.00 -2.18 -0.28 0.00 -0.77 0.00 0.00 57.85 54.61 1q7y n ARG 79 Cb 0.58 1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 33.67 1q7y n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1q7y n TYR 80 N -0.44 3.63 -1.64 -1.55 4.02 -1.26 0.86 117.16 120.79 1q7y n TYR 80 Ca 0.04 -4.09 -0.28 0.00 -0.01 0.00 0.00 57.90 53.56 1q7y n TYR 80 Cb 0.39 -0.58 -0.08 0.00 -0.02 0.00 0.00 39.34 39.05 1q7y n TYR 80 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1q7y n PRO 81 N 0.81 1.03 -0.24 -0.72 -0.02 -1.26 -4.82 135.00 129.77 1q7y n PRO 81 Ca 0.30 -2.03 -0.05 0.00 -2.02 0.00 0.00 63.50 59.71 1q7y n PRO 81 Cb 0.41 -3.54 0.11 0.00 -0.02 0.00 0.00 33.50 30.46 1q7y n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1q7y h GLU 82 N 9.97 1.08 0.03 -0.52 4.11 -1.92 -0.42 114.58 126.91 1q7y h GLU 82 Ca 0.20 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1q7y h GLU 82 Cb 0.89 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1q7y h GLU 82 CO 1.36 0.89 -0.01 -0.22 0.07 0.00 0.00 179.01 181.10 1q7y h LYS 83 N 1.05 -0.04 -0.63 1.06 3.64 -1.99 -1.45 116.57 118.21 1q7y h LYS 83 Ca 0.24 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1q7y h LYS 83 Cb 0.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1q7y h LYS 83 CO -0.02 0.09 0.07 0.00 -2.27 0.00 0.00 179.45 177.33 1q7y h ALA 84 N 0.80 0.94 0.00 5.00 0.00 -1.93 -2.12 119.26 121.95 1q7y h ALA 84 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1q7y h ALA 84 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1q7y h ALA 84 CO 0.01 0.65 -0.15 0.77 0.00 0.00 0.00 179.25 180.53 1q7y h SER 85 N 0.97 0.00 0.30 0.00 0.02 -0.86 -1.61 113.55 112.37 1q7y h SER 85 Ca 0.19 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.91 1q7y h SER 85 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1q7y h SER 85 CO 0.02 0.15 -0.95 0.11 -1.14 0.00 0.00 176.83 175.02 1q7y h LYS 86 N 0.00 0.44 0.00 3.45 1.57 -0.81 -2.39 116.57 118.83 1q7y h LYS 86 Ca -0.00 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1q7y h LYS 86 Cb 0.34 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1q7y h LYS 86 CO 0.02 1.13 -0.04 0.00 -0.57 0.00 0.00 179.45 179.99 1q7y h ALA 87 N 0.71 1.00 0.00 3.86 0.00 -0.71 -2.43 119.26 121.68 1q7y h ALA 87 Ca -0.08 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1q7y h ALA 87 Cb 1.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1q7y h ALA 87 CO 0.17 0.05 -0.86 0.74 0.00 0.00 0.00 179.25 179.34 1q7y h PHE 88 N 0.00 0.00 -0.15 0.00 -1.00 -1.08 -2.85 116.94 111.87 1q7y h PHE 88 Ca -0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 1q7y h PHE 88 Cb 0.65 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1q7y h PHE 88 CO 0.00 0.69 -0.40 -0.07 -1.61 0.00 0.00 178.31 176.92 1q7y h LEU 89 N 0.00 0.34 -0.28 1.54 3.38 -0.96 0.20 115.31 119.53 1q7y h LEU 89 Ca -0.05 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1q7y h LEU 89 Cb 1.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1q7y h LEU 89 CO 0.08 0.71 -0.32 0.44 0.09 0.00 0.00 178.44 179.44 1q7y h ASP 90 N 0.27 0.76 0.57 -0.43 5.19 -1.49 0.19 116.42 121.48 1q7y h ASP 90 Ca 0.03 -0.49 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1q7y h ASP 90 Cb 0.83 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1q7y h ASP 90 CO 0.07 1.10 -0.27 0.25 -3.12 0.00 0.00 179.24 177.26 1q7y h LEU 91 N 0.45 -0.64 -0.79 1.55 5.85 -1.22 -1.73 115.31 118.76 1q7y h LEU 91 Ca 0.04 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.96 1q7y h LEU 91 Cb 0.90 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.98 1q7y h LEU 91 CO 0.08 -0.45 0.23 -0.07 -0.34 0.00 0.00 178.44 177.89 1q7y h LEU 92 N -0.78 0.07 -1.46 2.25 3.38 -0.61 0.54 115.31 118.70 1q7y h LEU 92 Ca -0.08 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1q7y h LEU 92 Cb 0.58 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1q7y h LEU 92 CO 0.13 -0.05 0.50 -0.08 0.09 0.00 0.00 178.44 179.03 1q7y h GLU 93 N 0.29 0.55 0.22 1.13 4.81 -0.85 0.41 114.58 121.14 1q7y h GLU 93 Ca 0.47 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1q7y h GLU 93 Cb 0.83 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1q7y h GLU 93 CO -0.54 0.36 -0.10 -0.97 -0.73 0.00 0.00 179.01 177.03 1q7y h ASN 94 N 0.57 -0.25 -0.30 1.04 -1.24 0.91 -2.02 115.58 114.29 1q7y h ASN 94 Ca 0.36 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1q7y h ASN 94 Cb 0.63 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.73 1q7y h ASN 94 CO -0.13 0.26 0.16 0.00 -1.29 0.00 0.00 177.43 176.42 1q7y h ALA 95 N -0.40 1.63 0.00 1.57 0.00 0.09 -0.23 119.26 121.93 1q7y h ALA 95 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1q7y h ALA 95 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1q7y h ALA 95 CO 0.05 0.30 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 1q7y h VAL 96 N 0.48 0.40 0.00 0.00 2.07 -0.28 -1.08 116.25 117.84 1q7y h VAL 96 Ca 0.12 -1.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 1q7y h VAL 96 Cb 0.07 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1q7y h VAL 96 CO -0.02 0.20 -0.63 1.23 0.02 0.00 0.00 177.57 178.37 1q7y h GLY 97 N 2.93 0.00 1.49 2.17 0.00 -0.33 -2.57 103.07 106.76 1q7y h GLY 97 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1q7y h GLY 97 CO 0.03 0.00 -1.35 3.43 0.00 0.00 0.00 176.54 178.64 1q7y h ASN 98 N 0.00 0.21 -0.35 0.19 -0.26 -0.96 -2.89 115.58 111.53 1q7y h ASN 98 Ca -0.02 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.42 1q7y h ASN 98 Cb 1.45 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.63 1q7y h ASN 98 CO 0.07 1.22 0.09 0.00 -1.06 0.00 0.00 177.43 177.76 1q7y h ALA 99 N 0.75 0.45 -0.18 -0.83 0.00 -1.19 -3.03 119.26 115.24 1q7y h ALA 99 Ca -0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1q7y h ALA 99 Cb 1.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1q7y h ALA 99 CO 0.14 0.11 0.10 -0.44 0.00 0.00 0.00 179.25 179.16 1q7y h ASP 100 N 0.41 0.22 0.00 0.00 3.32 -1.54 -1.18 116.42 117.65 1q7y h ASP 100 Ca 0.11 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1q7y h ASP 100 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1q7y h ASP 100 CO -0.00 0.24 0.00 1.57 -1.72 0.00 0.00 179.24 179.33 1q7y n HIS 101 N -4.91 0.00 -0.15 4.55 -0.00 -1.09 -0.94 115.22 112.67 1q7y n HIS 101 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1q7y n HIS 101 Cb 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 1q7y n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1q7y n GLN 102 N -0.56 -0.37 -0.21 1.57 6.02 -0.80 -5.00 117.38 118.03 1q7y n GLN 102 Ca 0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1q7y n GLN 102 Cb 0.01 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1q7y n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q7y n GLY 103 N -0.06 0.73 3.96 1.08 0.00 -0.12 -5.07 105.19 105.71 1q7y n GLY 103 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1q7y n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q7y s PHE 104 N -2.52 2.74 -1.18 1.61 0.40 -0.51 -4.99 117.98 113.53 1q7y s PHE 104 Ca 0.00 0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1q7y s PHE 104 Cb 0.00 -2.97 0.22 0.00 0.51 0.00 0.00 43.02 40.77 1q7y s PHE 104 CO 0.00 -1.19 1.34 -3.47 0.70 0.00 0.00 175.22 172.60 1q7y n ASP 105 N -2.64 5.38 0.00 1.36 2.03 -1.26 -3.98 116.55 117.44 1q7y n ASP 105 Ca 0.09 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.37 1q7y n ASP 105 Cb 0.60 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1q7y n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q7y n GLY 106 N 3.39 -2.08 0.32 0.27 0.00 -1.26 -1.65 105.19 104.17 1q7y n GLY 106 Ca 0.32 0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.88 1q7y n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1q7y h GLU 107 N 0.00 0.42 0.00 1.61 5.08 -1.92 0.15 114.58 119.92 1q7y h GLU 107 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1q7y h GLU 107 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1q7y h GLU 107 CO 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 1q7y n ALA 108 N -2.45 2.59 -2.07 3.43 0.00 -0.66 -1.96 120.51 119.39 1q7y n ALA 108 Ca 0.23 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1q7y n ALA 108 Cb 0.68 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1q7y n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1q7y s MET 109 N -2.00 4.68 0.55 0.00 -1.94 0.52 -4.64 119.30 116.47 1q7y s MET 109 Ca 0.35 1.59 -0.18 0.00 -1.71 0.00 0.00 55.69 55.74 1q7y s MET 109 Cb 0.16 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.64 1q7y s MET 109 CO 0.27 0.20 1.08 0.99 -0.01 0.00 0.00 175.02 177.55 1q7y s THR 110 N -0.34 3.56 -1.08 2.05 2.01 -0.67 -0.73 115.64 120.44 1q7y s THR 110 Ca 0.47 0.88 -0.13 0.00 0.31 0.00 0.00 61.69 63.21 1q7y s THR 110 Cb -0.27 -3.35 0.20 0.00 0.01 0.00 0.00 72.50 69.10 1q7y s THR 110 CO 0.33 -0.31 1.20 -0.63 -0.69 0.00 0.00 174.62 174.52 1q7y s ILE 111 N -2.10 5.35 0.20 1.82 1.01 0.22 -1.07 121.20 126.64 1q7y s ILE 111 Ca 0.68 -2.67 -0.11 0.00 0.00 0.00 0.00 60.65 58.55 1q7y s ILE 111 Cb -0.19 -4.74 0.11 0.00 0.01 0.00 0.00 42.46 37.66 1q7y s ILE 111 CO 0.29 -1.39 1.78 0.50 0.00 0.00 0.00 174.94 176.12 1q7y h LYS 112 N 7.38 0.53 -2.76 2.79 3.64 -1.58 -0.10 116.57 126.47 1q7y h LYS 112 Ca 0.22 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1q7y h LYS 112 Cb 0.92 -0.12 -0.27 0.00 -0.41 0.00 0.00 32.23 32.35 1q7y h LYS 112 CO 1.09 0.35 -0.34 -1.58 -2.27 0.00 0.00 179.45 176.70 1q7y s HIS 113 N -6.11 -0.51 -0.11 1.91 5.04 -1.08 -4.82 115.29 109.61 1q7y s HIS 113 Ca -0.13 1.12 -0.05 0.00 -1.54 0.00 0.00 55.06 54.47 1q7y s HIS 113 Cb 0.15 0.20 0.06 0.00 0.04 0.00 0.00 32.58 33.02 1q7y s HIS 113 CO 0.75 -0.30 0.24 0.54 -2.34 0.00 0.00 174.74 173.63 1q7y s VAL 114 N 1.19 -0.28 -0.10 0.89 0.11 -1.25 0.05 120.40 121.01 1q7y s VAL 114 Ca -0.08 0.25 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 1q7y s VAL 114 Cb -0.08 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1q7y s VAL 114 CO -0.10 0.11 0.41 0.00 -3.33 0.00 0.00 175.10 172.18 1q7y s ALA 115 N 2.04 -1.02 0.08 1.54 0.00 -0.30 -4.72 121.76 119.38 1q7y s ALA 115 Ca -0.02 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1q7y s ALA 115 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1q7y s ALA 115 CO -0.08 -0.24 0.10 0.00 0.00 0.00 0.00 175.76 175.54 1q7y s ALA 116 N -0.46 3.61 -0.06 0.00 0.00 -1.26 -0.74 121.76 122.85 1q7y s ALA 116 Ca -0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1q7y s ALA 116 Cb -0.03 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1q7y s ALA 116 CO 0.03 0.74 0.13 -1.01 0.00 0.00 0.00 175.76 175.65 1q7y s HIS 117 N -1.42 -0.15 -0.39 0.00 3.76 0.02 -4.98 115.29 112.12 1q7y s HIS 117 Ca 0.30 0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 55.36 1q7y s HIS 117 Cb -0.12 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.55 1q7y s HIS 117 CO 0.23 -0.13 0.96 0.21 -0.85 0.00 0.00 174.74 175.16 1q7y s LYS 118 N 0.77 3.78 0.00 1.40 2.20 -1.26 -0.67 119.74 125.96 1q7y s LYS 118 Ca -0.06 0.52 0.25 0.00 -0.36 0.00 0.00 55.97 56.33 1q7y s LYS 118 Cb -0.08 -3.83 0.55 0.00 -1.51 0.00 0.00 37.83 32.96 1q7y s LYS 118 CO -0.04 -1.04 1.44 0.28 -0.36 0.00 0.00 175.35 175.63 1q7y n VAL 119 N 6.15 0.00 -3.84 4.02 0.31 0.14 -4.98 118.33 120.13 1q7y n VAL 119 Ca 0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1q7y n VAL 119 Cb 0.48 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 1q7y n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q7y n GLY 120 N 1.35 -0.49 3.20 2.92 0.00 -1.22 -4.95 105.19 106.00 1q7y n GLY 120 Ca 0.12 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1q7y n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q7y s GLU 121 N -2.00 0.33 -0.24 1.61 2.02 -1.26 -1.97 118.70 117.19 1q7y s GLU 121 Ca 0.00 0.73 -0.29 0.00 0.02 0.00 0.00 54.97 55.43 1q7y s GLU 121 Cb 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 34.13 34.20 1q7y s GLU 121 CO 0.00 -0.17 1.24 -1.14 0.02 0.00 0.00 175.26 175.21 1q7y s GLN 122 N 1.47 4.09 0.05 1.61 0.74 0.23 -4.84 119.66 123.02 1q7y s GLN 122 Ca -0.09 1.41 -0.29 0.00 0.05 0.00 0.00 55.36 56.45 1q7y s GLN 122 Cb -0.09 -3.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.17 1q7y s GLN 122 CO -0.12 -0.89 0.92 -0.65 -0.55 0.00 0.00 175.29 174.01 1q7y s GLN 123 N 3.77 4.61 0.26 1.67 -0.21 -1.26 -1.10 119.66 127.39 1q7y s GLN 123 Ca 0.54 1.35 0.05 0.00 0.02 0.00 0.00 55.36 57.31 1q7y s GLN 123 Cb -0.18 -3.41 -0.06 0.00 1.00 0.00 0.00 33.01 30.36 1q7y s GLN 123 CO 0.17 0.12 -0.02 0.20 -2.12 0.00 0.00 175.29 173.64 1q7y s GLY 124 N 0.40 1.71 -0.03 3.09 0.00 -1.15 -4.98 107.32 106.36 1q7y s GLY 124 Ca 0.47 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1q7y s GLY 124 CO 0.28 -1.75 -0.04 -1.60 0.00 0.00 0.00 173.10 169.99 1q7y s ARG 125 N -3.81 0.61 -0.30 2.90 6.06 -1.26 -2.02 118.95 121.13 1q7y s ARG 125 Ca 0.29 -0.09 -0.02 0.00 -2.50 0.00 0.00 55.73 53.42 1q7y s ARG 125 Cb 0.05 -0.65 0.05 0.00 0.06 0.00 0.00 34.95 34.46 1q7y s ARG 125 CO 0.10 -0.04 -0.00 0.21 -2.50 0.00 0.00 175.30 173.08 1q7y s LYS 126 N 0.65 2.41 0.65 5.12 2.47 0.16 -4.87 119.74 126.32 1q7y s LYS 126 Ca -0.08 -1.28 -0.17 0.00 -1.56 0.00 0.00 55.97 52.87 1q7y s LYS 126 Cb -0.11 -3.17 -0.07 0.00 -1.46 0.00 0.00 37.83 33.01 1q7y s LYS 126 CO -0.00 -0.63 0.40 -2.30 0.16 0.00 0.00 175.35 172.98 1q7y n PRO 127 N 4.61 0.34 -4.34 4.03 -0.02 -1.26 -1.80 135.00 136.56 1q7y n PRO 127 Ca -0.13 0.15 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 1q7y n PRO 127 Cb 0.43 -1.65 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 1q7y n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q7y s ARG 128 N -2.26 1.75 0.63 -0.52 1.81 0.20 -4.77 118.95 115.79 1q7y s ARG 128 Ca 0.65 -2.03 -0.16 0.00 -1.72 0.00 0.00 55.73 52.47 1q7y s ARG 128 Cb -0.40 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.13 1q7y s ARG 128 CO 0.58 -0.57 1.12 0.00 -0.68 0.00 0.00 175.30 175.75 1q7y s ALA 129 N -3.45 2.52 -0.39 2.13 0.00 -1.26 -3.92 121.76 117.38 1q7y s ALA 129 Ca 0.36 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1q7y s ALA 129 Cb 0.03 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1q7y s ALA 129 CO 0.22 -1.17 0.25 -1.33 0.00 0.00 0.00 175.76 173.74 1q7y n MET 130 N -2.14 -1.79 -0.84 0.00 2.81 -1.26 -3.72 117.12 110.19 1q7y n MET 130 Ca 0.11 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1q7y n MET 130 Cb 0.52 -3.57 0.00 0.00 -0.71 0.00 0.00 33.22 29.46 1q7y n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q7y n GLY 131 N -0.93 0.06 3.83 3.03 0.00 -1.25 -4.98 105.19 104.95 1q7y n GLY 131 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1q7y n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q7y s ARG 132 N -1.50 3.00 0.26 1.61 3.52 -1.24 -4.97 118.95 119.63 1q7y s ARG 132 Ca 0.00 -0.88 0.10 0.00 -0.13 0.00 0.00 55.73 54.82 1q7y s ARG 132 Cb 0.00 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 1q7y s ARG 132 CO 0.00 0.47 -0.16 0.00 -0.81 0.00 0.00 175.30 174.80 1q7y s ALA 133 N -1.85 2.52 0.23 6.12 0.00 -1.26 0.61 121.76 128.11 1q7y s ALA 133 Ca 0.32 -1.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1q7y s ALA 133 Cb -0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1q7y s ALA 133 CO 0.25 0.16 0.25 -1.54 0.00 0.00 0.00 175.76 174.87 1q7y s SER 134 N -3.46 0.21 0.79 0.00 1.04 -0.74 -4.88 113.70 106.65 1q7y s SER 134 Ca 0.28 -1.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.28 1q7y s SER 134 Cb -0.02 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1q7y s SER 134 CO 0.12 -0.95 1.21 0.00 0.98 0.00 0.00 173.24 174.61 1q7y s ALA 135 N -4.03 1.88 -0.46 5.32 0.00 -1.26 0.36 121.76 123.56 1q7y s ALA 135 Ca 0.34 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1q7y s ALA 135 Cb 0.04 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.89 1q7y s ALA 135 CO 0.12 -2.23 0.90 1.87 0.00 0.00 0.00 175.76 176.42 1q7y n TRP 136 N -3.18 -2.89 -3.30 0.00 -0.00 -0.86 -4.47 117.44 102.74 1q7y n TRP 136 Ca 0.14 -1.34 -0.20 0.00 -0.00 0.00 0.00 57.50 56.10 1q7y n TRP 136 Cb 0.50 1.42 0.00 0.00 -0.00 0.00 0.00 31.31 33.24 1q7y n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1q7y s ASN 137 N -0.22 5.25 -0.05 5.87 0.01 -1.26 -2.93 114.94 121.60 1q7y s ASN 137 Ca 0.30 -0.68 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 1q7y s ASN 137 Cb 0.13 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.40 1q7y s ASN 137 CO -0.14 -0.84 -0.17 -0.44 -1.51 0.00 0.00 177.10 174.01 1q7y s SER 138 N -4.31 2.14 0.56 -1.22 0.01 -0.26 -4.94 113.70 105.68 1q7y s SER 138 Ca 0.52 -0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 1q7y s SER 138 Cb -0.06 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 1q7y s SER 138 CO 0.31 0.13 0.96 -2.84 0.41 0.00 0.00 173.24 172.21 1q7y s PRO 139 N 0.17 3.67 -0.13 12.44 0.02 -1.26 0.77 135.00 150.68 1q7y s PRO 139 Ca -0.07 0.68 0.00 0.00 0.02 0.00 0.00 61.00 61.63 1q7y s PRO 139 Cb -0.13 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.25 1q7y s PRO 139 CO 0.03 -0.41 -0.13 -0.65 -0.33 0.00 0.00 177.00 175.51 1q7y s GLN 140 N -4.79 2.06 -0.06 5.54 -0.21 -0.83 -3.24 119.66 118.12 1q7y s GLN 140 Ca 0.54 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 55.48 1q7y s GLN 140 Cb -0.11 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 1q7y s GLN 140 CO 0.46 -0.20 -0.14 0.08 -2.12 0.00 0.00 175.29 173.37 1q7y s VAL 141 N 1.42 3.07 0.11 1.09 1.01 0.39 0.27 120.40 127.75 1q7y s VAL 141 Ca 0.02 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1q7y s VAL 141 Cb -0.13 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1q7y s VAL 141 CO -0.08 0.58 -0.02 -1.81 0.00 0.00 0.00 175.10 173.78 1q7y s ASP 142 N -0.56 4.88 -0.17 3.32 1.11 0.15 0.48 116.67 125.89 1q7y s ASP 142 Ca 0.08 -0.25 -0.18 0.00 0.18 0.00 0.00 52.55 52.38 1q7y s ASP 142 Cb -0.11 -1.11 0.05 0.00 1.07 0.00 0.00 42.92 42.82 1q7y s ASP 142 CO 0.01 0.16 0.50 0.54 1.18 0.00 0.00 175.17 177.56 1q7y s VAL 143 N -1.37 0.00 -0.08 -1.27 0.11 -0.96 -0.80 120.40 116.04 1q7y s VAL 143 Ca 0.25 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1q7y s VAL 143 Cb -0.11 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1q7y s VAL 143 CO 0.18 -0.01 -0.21 -1.83 -3.33 0.00 0.00 175.10 169.89 1q7y s GLU 144 N 0.12 2.86 -0.05 1.54 -1.05 0.08 -1.56 118.70 120.65 1q7y s GLU 144 Ca -0.01 -0.83 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 1q7y s GLU 144 Cb -0.03 -2.32 0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1q7y s GLU 144 CO 0.01 0.31 -0.11 -1.17 0.95 0.00 0.00 175.26 175.26 1q7y s LEU 145 N 0.04 1.65 -0.17 1.83 2.96 -0.64 -1.15 118.68 123.19 1q7y s LEU 145 Ca -0.08 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1q7y s LEU 145 Cb -0.15 -0.72 0.05 0.00 0.50 0.00 0.00 46.19 45.86 1q7y s LEU 145 CO 0.05 0.04 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.45 1q7y s ILE 146 N 0.55 1.07 0.41 6.68 1.01 0.11 -1.36 121.20 129.67 1q7y s ILE 146 Ca -0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1q7y s ILE 146 Cb -0.14 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1q7y s ILE 146 CO 0.02 0.07 0.66 -0.76 0.00 0.00 0.00 174.94 174.93 1q7y s LEU 147 N 1.64 3.84 -0.08 2.97 1.43 0.83 -1.50 118.68 127.81 1q7y s LEU 147 Ca -0.00 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.59 1q7y s LEU 147 Cb -0.16 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1q7y s LEU 147 CO -0.07 -0.42 0.42 -0.70 0.23 0.00 0.00 176.35 175.80 1q7y s GLU 148 N -4.51 0.67 0.28 1.70 2.12 -0.23 -2.86 118.70 115.87 1q7y s GLU 148 Ca 0.43 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.66 1q7y s GLU 148 Cb -0.10 0.31 -0.10 0.00 0.26 0.00 0.00 34.13 34.50 1q7y s GLU 148 CO 0.40 -0.16 1.30 -1.21 -0.54 0.00 0.00 175.26 175.05 1q7y s GLU 149 N -0.70 4.38 0.00 4.30 2.02 -1.08 -1.67 118.70 125.96 1q7y s GLU 149 Ca -0.08 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.05 1q7y s GLU 149 Cb -0.04 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1q7y s GLU 149 CO 0.04 -0.19 0.17 -2.30 0.02 0.00 0.00 175.26 173.00