#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s ILE 2 N 0.00 1.99 0.17 -0.61 -4.36 -1.26 -5.12 121.20 112.01 1k73 s ILE 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.41 1k73 s ILE 2 Cb 0.00 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.69 1k73 s ILE 2 CO 0.00 0.00 -0.02 -0.44 0.24 0.00 0.00 174.94 174.72 1k73 s SER 3 N -4.66 1.35 0.10 4.36 0.01 -1.26 -5.09 113.70 108.50 1k73 s SER 3 Ca 0.68 -1.14 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 1k73 s SER 3 Cb -0.08 0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.15 1k73 s SER 3 CO 0.51 -0.52 1.53 -0.31 0.41 0.00 0.00 173.24 174.86 1k73 s TYR 4 N -3.58 2.90 -2.07 2.43 1.51 -1.26 -4.85 117.35 112.43 1k73 s TYR 4 Ca 0.22 0.64 0.28 0.00 -1.01 0.00 0.00 57.07 57.20 1k73 s TYR 4 Cb 0.05 -3.84 1.06 0.00 -0.11 0.00 0.00 41.96 39.12 1k73 s TYR 4 CO 0.03 -3.17 1.75 -1.13 -1.11 0.00 0.00 175.55 171.92 1k73 n SER 5 N 4.61 1.04 -4.20 2.29 3.41 -1.26 -4.85 113.62 114.66 1k73 n SER 5 Ca 0.14 -1.10 -0.21 0.00 -0.26 0.00 0.00 58.87 57.44 1k73 n SER 5 Cb 0.41 0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1k73 n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k73 s VAL 6 N -2.24 1.34 0.34 -3.33 1.01 -1.26 -5.13 120.40 111.13 1k73 s VAL 6 Ca 0.33 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 1k73 s VAL 6 Cb 0.20 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 1k73 s VAL 6 CO 0.42 -0.03 1.04 -1.61 0.00 0.00 0.00 175.10 174.92 1k73 s GLU 7 N -1.46 4.42 -0.05 2.72 2.02 -1.26 -5.06 118.70 120.03 1k73 s GLU 7 Ca 0.03 1.56 -0.01 0.00 0.02 0.00 0.00 54.97 56.57 1k73 s GLU 7 Cb -0.09 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.35 1k73 s GLU 7 CO 0.02 0.08 0.01 0.00 0.02 0.00 0.00 175.26 175.39 1k73 s ALA 8 N -1.48 0.44 -0.22 5.21 0.00 -1.26 -5.11 121.76 119.34 1k73 s ALA 8 Ca 0.52 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1k73 s ALA 8 Cb -0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1k73 s ALA 8 CO 0.31 -0.28 1.45 0.34 0.00 0.00 0.00 175.76 177.58 1k73 s ASP 9 N 1.55 6.61 0.54 0.00 -1.08 -1.26 -4.90 116.67 118.13 1k73 s ASP 9 Ca -0.02 1.56 0.25 0.00 -0.52 0.00 0.00 52.55 53.82 1k73 s ASP 9 Cb -0.13 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.21 1k73 s ASP 9 CO -0.03 -1.07 2.01 1.55 0.52 0.00 0.00 175.17 178.15 1k73 h PRO 10 N 9.64 0.00 0.00 4.34 0.13 -2.00 -1.73 132.00 142.39 1k73 h PRO 10 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1k73 h PRO 10 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k73 h PRO 10 CO 1.00 0.00 -0.15 -0.44 -0.23 0.00 0.00 178.00 178.18 1k73 h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.03 -3.30 116.42 115.85 1k73 h ASP 11 Ca 0.22 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1k73 h ASP 11 Cb 0.93 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.37 1k73 h ASP 11 CO -0.00 0.15 -0.54 0.35 -1.72 0.00 0.00 179.24 177.47 1k73 n THR 12 N -3.22 0.85 -3.95 0.35 -2.24 -0.95 -5.06 114.28 100.05 1k73 n THR 12 Ca 0.01 -1.42 -0.10 0.00 -2.27 0.00 0.00 64.05 60.27 1k73 n THR 12 Cb 0.46 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.90 1k73 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k73 s THR 13 N -1.26 0.10 0.00 4.28 2.01 -0.69 -2.46 115.64 117.62 1k73 s THR 13 Ca 0.24 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.70 1k73 s THR 13 Cb 0.24 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.54 1k73 s THR 13 CO -0.06 -0.31 -0.16 0.00 -0.69 0.00 0.00 174.62 173.41 1k73 s ALA 14 N -0.92 1.34 0.30 7.40 0.00 -0.09 -4.75 121.76 125.03 1k73 s ALA 14 Ca -0.10 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1k73 s ALA 14 Cb -0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 1k73 s ALA 14 CO -0.01 0.31 -0.12 0.15 0.00 0.00 0.00 175.76 176.10 1k73 s LYS 15 N -0.57 1.66 -0.05 0.00 1.02 -1.26 0.51 119.74 121.05 1k73 s LYS 15 Ca 0.06 -1.82 -0.29 0.00 0.02 0.00 0.00 55.97 53.94 1k73 s LYS 15 Cb -0.07 -1.53 0.10 0.00 -0.52 0.00 0.00 37.83 35.81 1k73 s LYS 15 CO -0.00 0.18 0.85 0.00 -0.92 0.00 0.00 175.35 175.45 1k73 s ALA 16 N -2.72 -1.83 0.04 5.17 0.00 -0.62 -4.64 121.76 117.17 1k73 s ALA 16 Ca 0.30 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 1k73 s ALA 16 Cb 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1k73 s ALA 16 CO 0.14 -0.49 0.34 -1.64 0.00 0.00 0.00 175.76 174.11 1k73 s MET 17 N -2.05 0.83 0.02 0.00 -1.94 -1.26 -1.44 119.30 113.46 1k73 s MET 17 Ca -0.01 -0.41 0.06 0.00 -1.71 0.00 0.00 55.69 53.61 1k73 s MET 17 Cb -0.01 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.17 1k73 s MET 17 CO -0.01 -0.27 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.07 1k73 s LEU 18 N -1.95 2.77 -0.06 -0.03 1.43 -0.64 -4.96 118.68 115.23 1k73 s LEU 18 Ca -0.06 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1k73 s LEU 18 Cb -0.01 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1k73 s LEU 18 CO -0.02 0.27 -0.20 -0.13 0.23 0.00 0.00 176.35 176.50 1k73 s ARG 19 N -1.38 2.25 -1.61 1.70 1.81 -1.26 -2.32 118.95 118.14 1k73 s ARG 19 Ca 0.15 -0.71 -0.05 0.00 -1.72 0.00 0.00 55.73 53.40 1k73 s ARG 19 Cb -0.11 -1.85 0.05 0.00 -0.45 0.00 0.00 34.95 32.59 1k73 s ARG 19 CO 0.06 0.23 0.14 0.39 -0.68 0.00 0.00 175.30 175.44 1k73 n GLU 20 N 3.29 -1.06 -2.56 3.54 1.02 -0.79 -4.89 120.64 119.18 1k73 n GLU 20 Ca -0.19 0.12 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 1k73 n GLU 20 Cb 0.53 -3.86 -0.04 0.00 -0.02 0.00 0.00 31.44 28.04 1k73 n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1k73 s ARG 21 N -7.31 4.63 -0.95 3.49 1.81 0.23 -4.47 118.95 116.38 1k73 s ARG 21 Ca 0.16 1.67 -0.19 0.00 -1.72 0.00 0.00 55.73 55.66 1k73 s ARG 21 Cb -0.10 -3.29 0.13 0.00 -0.45 0.00 0.00 34.95 31.25 1k73 s ARG 21 CO 1.00 0.13 1.15 -0.65 -0.68 0.00 0.00 175.30 176.25 1k73 s GLN 22 N -0.42 3.63 0.24 3.54 -0.21 -1.26 0.85 119.66 126.04 1k73 s GLN 22 Ca 0.48 -1.79 -0.18 0.00 0.02 0.00 0.00 55.36 53.89 1k73 s GLN 22 Cb -0.28 -4.93 0.02 0.00 1.00 0.00 0.00 33.01 28.81 1k73 s GLN 22 CO 0.34 -1.78 0.59 0.00 -2.12 0.00 0.00 175.29 172.33 1k73 s MET 23 N 2.67 1.59 0.14 2.91 0.23 -1.23 -5.00 119.30 120.62 1k73 s MET 23 Ca 0.33 -1.01 -0.31 0.00 -1.03 0.00 0.00 55.69 53.67 1k73 s MET 23 Cb -0.05 0.55 -0.11 0.00 -1.53 0.00 0.00 34.83 33.69 1k73 s MET 23 CO -0.09 -0.70 1.83 0.45 -2.03 0.00 0.00 175.02 174.48 1k73 s SER 24 N -2.93 6.40 0.17 -1.18 0.15 -1.26 -4.55 113.70 110.49 1k73 s SER 24 Ca 0.13 2.80 0.08 0.00 0.70 0.00 0.00 55.95 59.67 1k73 s SER 24 Cb -0.03 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1k73 s SER 24 CO 0.04 -1.01 1.37 0.15 1.20 0.00 0.00 173.24 174.99 1k73 h PHE 25 N 8.34 0.00 -0.20 3.44 3.57 -1.96 -2.54 116.94 127.59 1k73 h PHE 25 Ca -0.46 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.86 1k73 h PHE 25 Cb 1.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1k73 h PHE 25 CO 0.77 0.88 -0.62 0.87 -2.23 0.00 0.00 178.31 177.98 1k73 h LYS 26 N 0.00 0.70 -0.18 1.11 1.57 -2.01 -2.06 116.57 115.69 1k73 h LYS 26 Ca -0.01 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1k73 h LYS 26 Cb 1.59 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1k73 h LYS 26 CO 0.11 1.10 -0.37 0.45 -0.57 0.00 0.00 179.45 180.17 1k73 h HIS 27 N 0.52 0.47 -0.31 -1.35 3.86 -1.94 -3.07 115.15 113.32 1k73 h HIS 27 Ca -0.01 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 1k73 h HIS 27 Cb 1.20 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 1k73 h HIS 27 CO 0.06 0.72 0.05 0.77 0.86 0.00 0.00 177.93 180.40 1k73 h SER 28 N 0.34 0.50 -0.63 2.45 0.02 -1.17 -0.77 113.55 114.30 1k73 h SER 28 Ca 0.04 -0.26 0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1k73 h SER 28 Cb 0.81 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 1k73 h SER 28 CO 0.07 0.64 0.33 0.11 -1.14 0.00 0.00 176.83 176.84 1k73 h LYS 29 N 0.35 0.60 -0.48 3.45 1.57 -1.29 0.12 116.57 120.88 1k73 h LYS 29 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1k73 h LYS 29 Cb 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1k73 h LYS 29 CO 0.01 0.40 0.29 0.00 -0.57 0.00 0.00 179.45 179.57 1k73 h ALA 30 N 1.33 0.62 0.03 3.86 0.00 -1.44 0.74 119.26 124.41 1k73 h ALA 30 Ca 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1k73 h ALA 30 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k73 h ALA 30 CO -0.18 0.11 -0.02 0.82 0.00 0.00 0.00 179.25 179.98 1k73 h ILE 31 N 0.64 1.17 0.15 0.00 2.04 -0.53 -1.50 117.51 119.50 1k73 h ILE 31 Ca 0.17 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1k73 h ILE 31 Cb 0.00 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1k73 h ILE 31 CO -0.03 0.17 -0.29 0.00 0.00 0.00 0.00 178.15 177.99 1k73 h ALA 32 N 0.62 -0.53 -0.79 1.87 0.00 -0.88 -1.36 119.26 118.19 1k73 h ALA 32 Ca -0.00 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.04 1k73 h ALA 32 Cb 0.31 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 1k73 h ALA 32 CO 0.01 -0.85 0.01 -0.09 0.00 0.00 0.00 179.25 178.33 1k73 h ARG 33 N -0.53 0.09 -0.15 0.00 2.43 -0.78 -1.90 114.38 113.53 1k73 h ARG 33 Ca 0.02 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1k73 h ARG 33 Cb 0.55 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1k73 h ARG 33 CO -0.15 0.06 -0.56 1.49 -1.51 0.00 0.00 179.97 179.30 1k73 h GLU 34 N 0.10 0.46 0.00 0.20 4.57 -0.30 -3.30 114.58 116.31 1k73 h GLU 34 Ca 0.44 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1k73 h GLU 34 Cb 0.80 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1k73 h GLU 34 CO -0.70 0.90 -0.47 0.44 -1.18 0.00 0.00 179.01 177.99 1k73 n ILE 35 N -3.94 0.11 -1.75 2.32 -5.35 -0.61 -4.87 119.36 105.27 1k73 n ILE 35 Ca -0.03 -0.09 -0.41 0.00 -0.27 0.00 0.00 62.75 61.96 1k73 n ILE 35 Cb 0.60 0.03 0.01 0.00 -1.74 0.00 0.00 39.64 38.55 1k73 n ILE 35 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1k73 n LYS 36 N -1.69 2.37 0.00 6.28 4.81 -0.87 -1.74 118.16 127.31 1k73 n LYS 36 Ca 0.05 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1k73 n LYS 36 Cb 0.37 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1k73 n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k73 n GLY 37 N 0.57 2.65 3.90 3.14 0.00 -0.52 -5.01 105.19 109.92 1k73 n GLY 37 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1k73 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k73 s LYS 38 N -0.30 2.59 0.22 1.61 1.02 -0.71 -4.64 119.74 119.51 1k73 s LYS 38 Ca 0.00 0.25 -0.22 0.00 0.02 0.00 0.00 55.97 56.01 1k73 s LYS 38 Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1k73 s LYS 38 CO 0.00 -1.15 0.77 0.99 -0.92 0.00 0.00 175.35 175.04 1k73 s THR 39 N -3.35 4.45 0.24 2.17 2.01 -1.26 -0.58 115.64 119.32 1k73 s THR 39 Ca 0.59 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 64.00 1k73 s THR 39 Cb -0.11 -3.97 0.30 0.00 0.01 0.00 0.00 72.50 68.73 1k73 s THR 39 CO 0.50 0.31 1.62 0.00 -0.69 0.00 0.00 174.62 176.35 1k73 h ALA 40 N 3.69 0.66 -0.57 7.40 0.00 -0.72 0.27 119.26 130.00 1k73 h ALA 40 Ca -0.47 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1k73 h ALA 40 Cb 1.20 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1k73 h ALA 40 CO 0.65 -0.43 0.19 0.78 0.00 0.00 0.00 179.25 180.45 1k73 h GLY 41 N 0.05 0.91 0.95 0.00 0.00 -1.49 -0.95 103.07 102.53 1k73 h GLY 41 Ca 0.40 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1k73 h GLY 41 CO -0.73 0.46 0.10 0.83 0.00 0.00 0.00 176.54 177.20 1k73 h GLU 42 N 0.83 0.71 -0.14 4.80 5.08 -1.13 -2.12 114.58 122.61 1k73 h GLU 42 Ca 0.19 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1k73 h GLU 42 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1k73 h GLU 42 CO -0.01 0.72 -0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1k73 h ALA 43 N 0.96 0.12 -0.08 3.43 0.00 0.00 0.86 119.26 124.54 1k73 h ALA 43 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1k73 h ALA 43 Cb 0.33 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1k73 h ALA 43 CO 0.00 -0.45 -0.11 0.28 0.00 0.00 0.00 179.25 178.97 1k73 h VAL 44 N 0.05 0.69 -0.95 0.00 2.07 -1.07 0.31 116.25 117.35 1k73 h VAL 44 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1k73 h VAL 44 Cb 0.07 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1k73 h VAL 44 CO -0.11 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.55 1k73 h ASP 45 N -0.15 1.02 0.63 0.57 3.32 -1.01 -1.57 116.42 119.23 1k73 h ASP 45 Ca 0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1k73 h ASP 45 Cb 0.25 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1k73 h ASP 45 CO -0.18 0.70 -0.30 0.22 -1.72 0.00 0.00 179.24 177.96 1k73 h TYR 46 N 1.18 -0.79 -0.16 4.55 3.20 -0.25 -2.49 116.97 122.21 1k73 h TYR 46 Ca 0.38 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.28 1k73 h TYR 46 Cb 0.03 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1k73 h TYR 46 CO -0.00 -0.46 0.11 -0.07 -1.64 0.00 0.00 178.16 176.10 1k73 h LEU 47 N -0.94 0.00 -0.78 2.82 3.38 -0.75 -0.30 115.31 118.74 1k73 h LEU 47 Ca -0.09 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1k73 h LEU 47 Cb 0.68 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1k73 h LEU 47 CO 0.14 0.00 -0.55 -0.33 0.09 0.00 0.00 178.44 177.80 1k73 h GLU 48 N 0.00 0.00 -0.00 1.13 5.08 -1.10 -0.98 114.58 118.71 1k73 h GLU 48 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1k73 h GLU 48 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1k73 h GLU 48 CO -0.00 0.55 -0.82 0.00 -1.00 0.00 0.00 179.01 177.73 1k73 h ALA 49 N 1.45 0.62 0.03 3.43 0.00 -0.66 -0.76 119.26 123.37 1k73 h ALA 49 Ca -0.01 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1k73 h ALA 49 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1k73 h ALA 49 CO 0.07 0.94 -0.02 0.28 0.00 0.00 0.00 179.25 180.52 1k73 h VAL 50 N 0.06 1.18 -0.29 0.00 2.07 -0.81 0.28 116.25 118.75 1k73 h VAL 50 Ca -0.03 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1k73 h VAL 50 Cb 1.44 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1k73 h VAL 50 CO 0.12 0.17 0.18 0.40 0.02 0.00 0.00 177.57 178.47 1k73 h ILE 51 N -0.34 1.08 0.00 4.57 2.04 -1.07 0.10 117.51 123.88 1k73 h ILE 51 Ca -0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1k73 h ILE 51 Cb 0.32 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1k73 h ILE 51 CO 0.01 0.08 -0.33 -0.08 0.00 0.00 0.00 178.15 177.82 1k73 h GLU 52 N 0.39 0.00 0.00 2.37 4.57 -0.79 -3.47 114.58 117.64 1k73 h GLU 52 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1k73 h GLU 52 Cb -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1k73 h GLU 52 CO -0.02 0.33 0.00 0.41 -1.18 0.00 0.00 179.01 178.55 1k73 n GLY 53 N 0.81 0.86 0.00 1.92 0.00 0.71 -4.95 105.19 104.53 1k73 n GLY 53 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1k73 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k73 n ASP 54 N 0.08 0.73 -3.81 1.61 8.00 0.31 -4.85 116.55 118.62 1k73 n ASP 54 Ca 0.00 -0.57 -0.22 0.00 0.71 0.00 0.00 54.79 54.70 1k73 n ASP 54 Cb 0.00 0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 41.58 1k73 n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1k73 s GLN 55 N -3.02 0.72 0.23 -1.24 2.00 -0.97 -4.96 119.66 112.42 1k73 s GLN 55 Ca 0.09 0.03 -0.12 0.00 -2.00 0.00 0.00 55.36 53.36 1k73 s GLN 55 Cb 0.16 -0.97 -0.07 0.00 0.80 0.00 0.00 33.01 32.93 1k73 s GLN 55 CO 0.79 -0.24 0.59 -1.25 -0.50 0.00 0.00 175.29 174.67 1k73 s PRO 56 N 1.67 3.89 -0.35 1.67 0.04 -1.26 -3.92 135.00 136.74 1k73 s PRO 56 Ca 0.01 0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1k73 s PRO 56 Cb -0.13 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 1k73 s PRO 56 CO -0.04 0.33 0.40 0.08 0.04 0.00 0.00 177.00 177.81 1k73 s VAL 57 N -1.76 5.13 0.13 -0.36 1.01 0.11 -4.87 120.40 119.79 1k73 s VAL 57 Ca 0.46 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1k73 s VAL 57 Cb -0.12 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1k73 s VAL 57 CO 0.20 -0.15 1.75 -2.65 0.00 0.00 0.00 175.10 174.25 1k73 n PRO 58 N 5.48 2.57 -3.38 2.72 -0.02 -1.26 -1.91 135.00 139.19 1k73 n PRO 58 Ca -0.08 0.93 -0.45 0.00 -2.02 0.00 0.00 63.50 61.88 1k73 n PRO 58 Cb 0.49 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1k73 n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1k73 s PHE 59 N 2.07 3.53 -0.14 6.00 2.99 -0.61 -4.86 117.98 126.96 1k73 s PHE 59 Ca 0.81 -1.82 0.18 0.00 0.00 0.00 0.00 56.93 56.10 1k73 s PHE 59 Cb -0.56 -3.73 -0.13 0.00 0.00 0.00 0.00 43.02 38.61 1k73 s PHE 59 CO 0.38 -0.99 0.83 1.63 -0.00 0.00 0.00 175.22 177.07 1k73 n LYS 60 N 4.44 0.62 -0.08 0.44 5.02 -1.26 -4.41 118.16 122.92 1k73 n LYS 60 Ca 0.02 0.20 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 1k73 n LYS 60 Cb 0.43 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1k73 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1k73 n GLN 61 N -2.84 0.35 -2.91 1.97 7.27 -1.26 -4.77 117.38 115.18 1k73 n GLN 61 Ca -0.09 0.15 -0.43 0.00 0.07 0.00 0.00 57.00 56.70 1k73 n GLN 61 Cb 0.80 -1.10 0.01 0.00 2.41 0.00 0.00 30.24 32.36 1k73 n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1k73 n HIS 62 N -3.65 2.78 -0.35 3.69 8.25 -1.26 -4.71 115.22 119.97 1k73 n HIS 62 Ca -0.32 -2.78 0.04 0.00 -0.26 0.00 0.00 57.72 54.40 1k73 n HIS 62 Cb 0.74 -1.46 0.09 0.00 1.12 0.00 0.00 29.99 30.47 1k73 n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1k73 n ASN 63 N 2.07 2.46 -4.67 0.41 6.94 -1.26 -4.94 115.26 116.26 1k73 n ASN 63 Ca 0.29 -2.31 -0.42 0.00 -0.02 0.00 0.00 54.58 52.11 1k73 n ASN 63 Cb 0.35 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.55 1k73 n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1k73 n SER 64 N -0.46 4.14 0.00 0.53 3.41 -1.26 -1.26 113.62 118.73 1k73 n SER 64 Ca 0.08 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 1k73 n SER 64 Cb 0.43 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1k73 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k73 n GLY 65 N 4.45 0.98 3.72 5.00 0.00 -1.26 -4.98 105.19 113.09 1k73 n GLY 65 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1k73 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k73 s VAL 66 N -3.86 4.26 0.44 1.61 1.01 -0.39 -5.01 120.40 118.47 1k73 s VAL 66 Ca 0.00 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1k73 s VAL 66 Cb 0.00 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1k73 s VAL 66 CO 0.00 0.18 1.10 -0.83 0.00 0.00 0.00 175.10 175.55 1k73 s GLY 67 N 0.71 2.73 0.61 4.51 0.00 -1.26 -4.80 107.32 109.80 1k73 s GLY 67 Ca 0.54 0.79 -0.18 0.00 0.00 0.00 0.00 44.72 45.88 1k73 s GLY 67 CO 0.30 1.22 1.15 0.30 0.00 0.00 0.00 173.10 176.07 1k73 s HIS 68 N -1.65 2.53 -0.10 1.90 0.09 -1.26 -3.45 115.29 113.35 1k73 s HIS 68 Ca 0.62 1.54 0.01 0.00 -0.00 0.00 0.00 55.06 57.24 1k73 s HIS 68 Cb -0.24 -3.31 0.02 0.00 -0.00 0.00 0.00 32.58 29.04 1k73 s HIS 68 CO 0.30 -1.85 -0.14 0.15 -0.00 0.00 0.00 174.74 173.20 1k73 s LYS 69 N -3.59 2.02 0.40 1.40 -0.14 0.32 -4.87 119.74 115.27 1k73 s LYS 69 Ca 0.72 -0.49 0.06 0.00 -1.36 0.00 0.00 55.97 54.91 1k73 s LYS 69 Cb -0.25 -1.75 0.81 0.00 -1.68 0.00 0.00 37.83 34.97 1k73 s LYS 69 CO 0.34 -0.08 2.05 0.66 -0.76 0.00 0.00 175.35 177.56 1k73 h SER 70 N 7.44 0.52 0.56 2.83 4.64 -1.96 -2.07 113.55 125.51 1k73 h SER 70 Ca -0.31 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1k73 h SER 70 Cb 1.17 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1k73 h SER 70 CO 0.48 0.38 0.00 0.29 -0.87 0.00 0.00 176.83 177.11 1k73 n LYS 71 N -4.46 0.24 -2.70 4.77 5.02 -1.26 -4.70 118.16 115.08 1k73 n LYS 71 Ca 0.04 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1k73 n LYS 71 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1k73 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k73 s VAL 72 N -2.70 4.80 -0.17 -0.18 1.01 -0.78 -4.96 120.40 117.42 1k73 s VAL 72 Ca 0.19 2.03 -0.06 0.00 0.00 0.00 0.00 61.98 64.14 1k73 s VAL 72 Cb 0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1k73 s VAL 72 CO 0.39 0.03 0.04 -0.62 0.00 0.00 0.00 175.10 174.93 1k73 s ASP 73 N 1.09 5.43 0.00 3.32 2.15 -1.26 -4.32 116.67 123.07 1k73 s ASP 73 Ca 0.48 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.50 1k73 s ASP 73 Cb -0.19 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1k73 s ASP 73 CO 0.19 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.98 1k73 n GLY 74 N 3.48 0.69 3.70 2.66 0.00 -1.26 -4.96 105.19 109.50 1k73 n GLY 74 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1k73 n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k73 s TRP 75 N -2.84 0.45 0.02 1.61 -0.11 -1.26 -5.13 118.94 111.68 1k73 s TRP 75 Ca 0.00 -0.98 0.00 0.00 1.22 0.00 0.00 56.10 56.34 1k73 s TRP 75 Cb 0.00 0.52 0.00 0.00 -1.50 0.00 0.00 33.47 32.49 1k73 s TRP 75 CO 0.00 -1.43 0.00 -0.40 -4.62 0.00 0.00 176.95 170.50 1k73 n ASP 76 N -1.43 0.16 -4.77 5.86 5.68 -1.26 -4.72 116.55 116.07 1k73 n ASP 76 Ca -0.05 0.03 -0.38 0.00 -0.50 0.00 0.00 54.79 53.88 1k73 n ASP 76 Cb 0.60 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.48 1k73 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k73 s ALA 77 N -2.00 3.27 -0.00 2.12 0.00 -1.26 -0.52 121.76 123.36 1k73 s ALA 77 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1k73 s ALA 77 Cb 0.00 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1k73 s ALA 77 CO 0.00 0.15 0.89 0.20 0.00 0.00 0.00 175.76 177.00 1k73 s GLY 78 N -1.39 -0.46 0.17 0.00 0.00 -1.22 -1.57 107.32 102.84 1k73 s GLY 78 Ca 0.47 1.00 0.01 0.00 0.00 0.00 0.00 44.72 46.20 1k73 s GLY 78 CO 0.28 0.33 0.19 0.54 0.00 0.00 0.00 173.10 174.45 1k73 n ARG 79 N -0.25 0.28 -3.43 2.90 1.74 -0.80 -4.76 116.66 112.33 1k73 n ARG 79 Ca -0.09 -1.51 -0.27 0.00 -0.77 0.00 0.00 57.85 55.22 1k73 n ARG 79 Cb 0.62 1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 33.32 1k73 n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1k73 n TYR 80 N -0.30 2.84 -1.76 -1.55 4.02 -1.26 0.05 117.16 119.20 1k73 n TYR 80 Ca 0.02 -4.06 -0.19 0.00 -0.01 0.00 0.00 57.90 53.66 1k73 n TYR 80 Cb 0.29 -0.51 -0.07 0.00 -0.02 0.00 0.00 39.34 39.03 1k73 n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1k73 s PRO 81 N -2.10 1.84 0.13 -0.72 0.02 -1.26 -4.82 135.00 128.09 1k73 s PRO 81 Ca 0.37 -0.15 -0.12 0.00 0.02 0.00 0.00 61.00 61.12 1k73 s PRO 81 Cb 0.13 -4.96 -0.04 0.00 0.02 0.00 0.00 34.50 29.64 1k73 s PRO 81 CO -0.05 -4.40 1.48 1.05 -0.33 0.00 0.00 177.00 174.76 1k73 h GLU 82 N 11.67 0.87 0.93 5.54 4.11 -1.93 -1.95 114.58 133.82 1k73 h GLU 82 Ca 0.06 -0.42 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 1k73 h GLU 82 Cb 0.99 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1k73 h GLU 82 CO 1.09 1.07 -0.48 -0.22 0.07 0.00 0.00 179.01 180.54 1k73 h LYS 83 N 0.68 -1.24 -0.93 1.06 3.64 -2.00 0.68 116.57 118.47 1k73 h LYS 83 Ca 0.07 0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1k73 h LYS 83 Cb 0.86 0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1k73 h LYS 83 CO 0.08 -0.83 0.59 0.00 -2.27 0.00 0.00 179.45 177.02 1k73 h ALA 84 N -1.33 1.64 -0.39 5.00 0.00 -1.93 0.83 119.26 123.07 1k73 h ALA 84 Ca -0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1k73 h ALA 84 Cb 1.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1k73 h ALA 84 CO 0.19 0.15 0.03 0.77 0.00 0.00 0.00 179.25 180.39 1k73 h SER 85 N 0.89 0.57 -0.22 0.00 0.02 -1.04 -1.02 113.55 112.74 1k73 h SER 85 Ca 0.44 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1k73 h SER 85 Cb 0.48 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1k73 h SER 85 CO -0.21 0.62 -0.31 0.11 -1.14 0.00 0.00 176.83 175.91 1k73 h LYS 86 N 0.58 0.73 -0.12 3.45 1.57 0.15 -1.06 116.57 121.88 1k73 h LYS 86 Ca 0.13 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1k73 h LYS 86 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1k73 h LYS 86 CO 0.01 0.94 -0.36 0.00 -0.57 0.00 0.00 179.45 179.47 1k73 h ALA 87 N 1.03 1.18 -0.08 3.86 0.00 -0.69 -1.65 119.26 122.91 1k73 h ALA 87 Ca 0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1k73 h ALA 87 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1k73 h ALA 87 CO 0.07 0.55 -0.63 0.74 0.00 0.00 0.00 179.25 179.98 1k73 h PHE 88 N 0.21 0.36 -0.30 0.00 -1.00 -0.82 -1.37 116.94 114.01 1k73 h PHE 88 Ca 0.02 -0.14 -0.06 0.00 2.81 0.00 0.00 57.97 60.60 1k73 h PHE 88 Cb 0.73 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1k73 h PHE 88 CO 0.01 0.83 -0.08 -0.07 -1.61 0.00 0.00 178.31 177.39 1k73 h LEU 89 N 0.20 0.47 -0.42 1.54 3.38 -0.47 0.12 115.31 120.13 1k73 h LEU 89 Ca -0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1k73 h LEU 89 Cb 1.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1k73 h LEU 89 CO 0.10 0.59 -0.11 0.44 0.09 0.00 0.00 178.44 179.55 1k73 h ASP 90 N 0.46 0.83 -0.55 -0.43 5.19 -0.99 0.79 116.42 121.71 1k73 h ASP 90 Ca 0.09 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 1k73 h ASP 90 Cb 0.43 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1k73 h ASP 90 CO 0.02 1.00 0.26 0.25 -3.12 0.00 0.00 179.24 177.65 1k73 h LEU 91 N 0.64 0.72 -0.50 1.55 5.85 -0.34 -2.09 115.31 121.14 1k73 h LEU 91 Ca 0.11 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.53 1k73 h LEU 91 Cb 0.64 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1k73 h LEU 91 CO 0.04 0.66 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.25 1k73 h LEU 92 N 0.74 0.74 -1.37 2.25 3.38 -0.66 -0.63 115.31 119.77 1k73 h LEU 92 Ca 0.19 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1k73 h LEU 92 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1k73 h LEU 92 CO -0.02 1.10 0.43 -0.08 0.09 0.00 0.00 178.44 179.96 1k73 h GLU 93 N 0.54 0.84 0.12 1.13 4.81 -0.61 0.18 114.58 121.59 1k73 h GLU 93 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1k73 h GLU 93 Cb 1.03 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1k73 h GLU 93 CO 0.10 0.56 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.91 1k73 h ASN 94 N 0.87 -0.14 -0.10 1.04 -1.24 -1.11 -1.77 115.58 113.13 1k73 h ASN 94 Ca 0.24 -0.43 0.04 0.00 0.71 0.00 0.00 56.30 56.87 1k73 h ASN 94 Cb -0.08 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1k73 h ASN 94 CO -0.05 0.43 -0.16 0.00 -1.29 0.00 0.00 177.43 176.35 1k73 h ALA 95 N -0.10 -0.11 -0.44 1.57 0.00 -0.80 0.17 119.26 119.54 1k73 h ALA 95 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k73 h ALA 95 Cb 0.55 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1k73 h ALA 95 CO 0.03 -0.62 0.29 0.28 0.00 0.00 0.00 179.25 179.23 1k73 h VAL 96 N -0.21 1.11 -0.28 0.00 2.07 -0.72 0.34 116.25 118.55 1k73 h VAL 96 Ca 0.09 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1k73 h VAL 96 Cb 0.34 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1k73 h VAL 96 CO -0.23 0.11 -0.15 1.23 0.02 0.00 0.00 177.57 178.55 1k73 h GLY 97 N 0.60 0.64 0.99 2.17 0.00 -0.33 -1.39 103.07 105.75 1k73 h GLY 97 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1k73 h GLY 97 CO -0.04 0.53 0.31 3.43 0.00 0.00 0.00 176.54 180.77 1k73 h ASN 98 N 0.33 0.70 -0.42 0.19 -0.26 -0.09 -1.80 115.58 114.24 1k73 h ASN 98 Ca 0.06 -0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1k73 h ASN 98 Cb 0.67 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1k73 h ASN 98 CO 0.04 0.59 0.16 0.00 -1.06 0.00 0.00 177.43 177.16 1k73 h ALA 99 N 1.14 0.50 -0.53 -0.83 0.00 -0.84 -2.58 119.26 116.11 1k73 h ALA 99 Ca 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1k73 h ALA 99 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1k73 h ALA 99 CO -0.03 -0.22 0.15 -0.44 0.00 0.00 0.00 179.25 178.71 1k73 h ASP 100 N 0.33 0.79 0.14 0.00 3.32 -0.97 -1.70 116.42 118.34 1k73 h ASP 100 Ca 0.19 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1k73 h ASP 100 Cb 0.16 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1k73 h ASP 100 CO -0.18 0.80 0.00 1.57 -1.72 0.00 0.00 179.24 179.71 1k73 n HIS 101 N -4.45 0.00 0.48 4.55 -0.00 -0.70 -0.96 115.22 114.14 1k73 n HIS 101 Ca 0.02 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.26 1k73 n HIS 101 Cb 0.21 -0.26 0.05 0.00 -0.12 0.00 0.00 29.99 29.86 1k73 n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1k73 n GLN 102 N -1.26 0.68 -0.01 1.57 6.02 -0.70 -4.99 117.38 118.70 1k73 n GLN 102 Ca 0.04 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1k73 n GLN 102 Cb 0.06 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1k73 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k73 n GLY 103 N 0.67 0.21 3.94 1.08 0.00 -0.13 -5.08 105.19 105.88 1k73 n GLY 103 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1k73 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k73 s PHE 104 N -2.03 1.95 -0.80 1.61 0.40 -0.86 -4.99 117.98 113.26 1k73 s PHE 104 Ca 0.00 0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1k73 s PHE 104 Cb 0.00 -3.69 0.21 0.00 0.51 0.00 0.00 43.02 40.05 1k73 s PHE 104 CO 0.00 -2.18 0.72 0.34 0.70 0.00 0.00 175.22 174.80 1k73 s ASP 105 N -4.77 6.56 0.06 1.36 2.15 -1.26 -4.20 116.67 116.56 1k73 s ASP 105 Ca 0.69 -2.72 -0.12 0.00 0.43 0.00 0.00 52.55 50.83 1k73 s ASP 105 Cb -0.06 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 1k73 s ASP 105 CO 0.50 -0.54 1.21 1.23 -0.17 0.00 0.00 175.17 177.40 1k73 h GLY 106 N 7.67 -1.91 -0.07 2.66 0.00 -1.85 -2.36 103.07 107.22 1k73 h GLY 106 Ca 0.09 0.98 0.24 0.00 0.00 0.00 0.00 47.33 48.65 1k73 h GLY 106 CO 0.75 -0.59 0.64 0.83 0.00 0.00 0.00 176.54 178.16 1k73 h GLU 107 N -0.03 0.49 0.00 4.80 5.08 -1.93 -0.19 114.58 122.79 1k73 h GLU 107 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1k73 h GLU 107 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1k73 h GLU 107 CO -0.34 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1k73 n ALA 108 N -2.41 2.38 -1.78 3.43 0.00 -0.90 -1.36 120.51 119.87 1k73 n ALA 108 Ca 0.25 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1k73 n ALA 108 Cb 0.78 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1k73 n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1k73 s MET 109 N -2.76 3.85 0.20 0.00 -1.94 -0.08 -4.66 119.30 113.90 1k73 s MET 109 Ca 0.22 1.60 -0.25 0.00 -1.71 0.00 0.00 55.69 55.55 1k73 s MET 109 Cb 0.19 -2.35 -0.08 0.00 2.01 0.00 0.00 34.83 34.60 1k73 s MET 109 CO 0.48 -0.44 0.80 0.99 -0.01 0.00 0.00 175.02 176.84 1k73 s THR 110 N -1.68 4.36 -0.87 2.05 2.01 -0.19 -0.57 115.64 120.75 1k73 s THR 110 Ca 0.63 1.68 -0.23 0.00 0.31 0.00 0.00 61.69 64.08 1k73 s THR 110 Cb -0.24 -4.09 0.06 0.00 0.01 0.00 0.00 72.50 68.24 1k73 s THR 110 CO 0.29 0.42 1.26 -0.63 -0.69 0.00 0.00 174.62 175.27 1k73 s ILE 111 N -1.27 4.08 0.10 1.82 1.01 0.26 -0.78 121.20 126.42 1k73 s ILE 111 Ca 0.39 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1k73 s ILE 111 Cb -0.22 -4.91 -0.09 0.00 0.01 0.00 0.00 42.46 37.25 1k73 s ILE 111 CO 0.26 -1.76 1.40 0.50 0.00 0.00 0.00 174.94 175.34 1k73 h LYS 112 N 9.65 0.72 -3.22 2.79 3.64 -1.42 -1.37 116.57 127.36 1k73 h LYS 112 Ca -0.02 -0.41 -0.20 0.00 -1.27 0.00 0.00 60.65 58.75 1k73 h LYS 112 Cb 1.03 0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 32.60 1k73 h LYS 112 CO 1.29 1.03 -0.52 -1.58 -2.27 0.00 0.00 179.45 177.40 1k73 s HIS 113 N -4.27 -0.22 -0.14 1.91 5.04 -1.10 -4.83 115.29 111.68 1k73 s HIS 113 Ca -0.12 0.56 -0.07 0.00 -1.54 0.00 0.00 55.06 53.88 1k73 s HIS 113 Cb 0.09 0.03 0.05 0.00 0.04 0.00 0.00 32.58 32.79 1k73 s HIS 113 CO 0.84 -0.14 0.33 0.54 -2.34 0.00 0.00 174.74 173.97 1k73 s VAL 114 N 0.60 -0.08 -0.26 0.89 0.11 -1.26 0.07 120.40 120.48 1k73 s VAL 114 Ca -0.04 0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 1k73 s VAL 114 Cb -0.06 -0.50 0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1k73 s VAL 114 CO -0.03 0.05 0.75 0.00 -3.33 0.00 0.00 175.10 172.54 1k73 s ALA 115 N 1.45 -1.80 0.05 1.54 0.00 -0.86 -4.78 121.76 117.36 1k73 s ALA 115 Ca -0.08 1.99 0.01 0.00 0.00 0.00 0.00 51.96 53.88 1k73 s ALA 115 Cb -0.10 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1k73 s ALA 115 CO -0.11 -0.33 0.11 0.00 0.00 0.00 0.00 175.76 175.44 1k73 s ALA 116 N 0.31 3.69 -0.03 0.00 0.00 -1.26 -1.79 121.76 122.68 1k73 s ALA 116 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1k73 s ALA 116 Cb -0.05 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1k73 s ALA 116 CO 0.01 0.75 0.05 -1.01 0.00 0.00 0.00 175.76 175.56 1k73 s HIS 117 N -1.36 -0.02 -0.39 0.00 3.76 -0.29 -4.95 115.29 112.04 1k73 s HIS 117 Ca 0.29 0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.11 1k73 s HIS 117 Cb -0.12 -0.19 0.02 0.00 1.11 0.00 0.00 32.58 33.40 1k73 s HIS 117 CO 0.21 -0.10 1.13 0.21 -0.85 0.00 0.00 174.74 175.34 1k73 s LYS 118 N 1.01 3.89 0.00 1.40 2.20 -1.26 -1.29 119.74 125.69 1k73 s LYS 118 Ca -0.08 0.87 0.24 0.00 -0.36 0.00 0.00 55.97 56.63 1k73 s LYS 118 Cb -0.12 -3.83 0.27 0.00 -1.51 0.00 0.00 37.83 32.64 1k73 s LYS 118 CO -0.03 -1.15 1.25 0.28 -0.36 0.00 0.00 175.35 175.34 1k73 n VAL 119 N 6.35 0.00 -3.46 4.02 0.31 -0.12 -4.98 118.33 120.45 1k73 n VAL 119 Ca 0.12 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1k73 n VAL 119 Cb 0.48 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 1k73 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k73 n GLY 120 N 1.46 -1.56 2.90 2.92 0.00 -1.20 -4.98 105.19 104.73 1k73 n GLY 120 Ca 0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1k73 n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k73 s GLU 121 N -1.90 0.50 -0.43 1.61 2.02 -1.26 -0.28 118.70 118.95 1k73 s GLU 121 Ca 0.00 -0.10 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 1k73 s GLU 121 Cb 0.00 -0.54 0.02 0.00 0.10 0.00 0.00 34.13 33.72 1k73 s GLU 121 CO 0.00 -0.00 1.03 -1.14 0.02 0.00 0.00 175.26 175.16 1k73 s GLN 122 N 0.44 3.73 0.35 1.61 0.74 0.12 -4.86 119.66 121.79 1k73 s GLN 122 Ca -0.05 0.51 -0.27 0.00 0.05 0.00 0.00 55.36 55.60 1k73 s GLN 122 Cb -0.08 -3.87 -0.09 0.00 1.10 0.00 0.00 33.01 30.06 1k73 s GLN 122 CO -0.00 -1.19 1.11 -0.65 -0.55 0.00 0.00 175.29 174.00 1k73 s GLN 123 N 3.96 4.32 0.06 1.67 -0.21 -1.26 -1.62 119.66 126.59 1k73 s GLN 123 Ca 0.42 1.74 -0.00 0.00 0.02 0.00 0.00 55.36 57.54 1k73 s GLN 123 Cb -0.10 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1k73 s GLN 123 CO 0.26 -0.05 -0.04 0.20 -2.12 0.00 0.00 175.29 173.53 1k73 s GLY 124 N -1.14 0.53 -0.06 3.09 0.00 -1.11 -4.93 107.32 103.69 1k73 s GLY 124 Ca 0.52 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1k73 s GLY 124 CO 0.37 -1.33 -0.13 -1.60 0.00 0.00 0.00 173.10 170.40 1k73 s ARG 125 N -3.85 1.75 -0.25 2.90 6.06 -1.26 -0.61 118.95 123.70 1k73 s ARG 125 Ca 0.08 -0.46 -0.04 0.00 -2.50 0.00 0.00 55.73 52.81 1k73 s ARG 125 Cb 0.07 -1.45 0.01 0.00 0.06 0.00 0.00 34.95 33.64 1k73 s ARG 125 CO -0.09 0.07 -0.02 0.21 -2.50 0.00 0.00 175.30 172.97 1k73 s LYS 126 N 0.53 3.11 0.32 5.12 2.47 0.59 -4.83 119.74 127.06 1k73 s LYS 126 Ca -0.13 -0.81 -0.29 0.00 -1.56 0.00 0.00 55.97 53.18 1k73 s LYS 126 Cb -0.15 -3.07 -0.11 0.00 -1.46 0.00 0.00 37.83 33.04 1k73 s LYS 126 CO 0.04 -0.32 1.53 -2.14 0.16 0.00 0.00 175.35 174.62 1k73 s PRO 127 N 1.43 4.13 0.46 4.03 0.02 -1.26 -1.93 135.00 141.88 1k73 s PRO 127 Ca 0.03 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1k73 s PRO 127 Cb -0.16 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1k73 s PRO 127 CO -0.03 -0.57 0.02 1.03 -0.33 0.00 0.00 177.00 177.13 1k73 s ARG 128 N -1.12 2.07 0.74 5.54 1.81 0.31 -4.91 118.95 123.39 1k73 s ARG 128 Ca 0.59 -2.27 -0.11 0.00 -1.72 0.00 0.00 55.73 52.21 1k73 s ARG 128 Cb -0.47 -1.39 0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1k73 s ARG 128 CO 0.53 -0.29 1.07 0.00 -0.68 0.00 0.00 175.30 175.93 1k73 s ALA 129 N -2.91 2.49 -0.44 2.13 0.00 -1.26 -3.68 121.76 118.09 1k73 s ALA 129 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1k73 s ALA 129 Cb 0.04 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1k73 s ALA 129 CO 0.09 -1.44 0.00 -1.33 0.00 0.00 0.00 175.76 173.07 1k73 n MET 130 N -3.27 -0.31 -1.86 0.00 2.81 -1.26 -3.56 117.12 109.67 1k73 n MET 130 Ca 0.07 0.56 -0.10 0.00 -1.81 0.00 0.00 57.70 56.43 1k73 n MET 130 Cb 0.54 -4.26 -0.02 0.00 -0.71 0.00 0.00 33.22 28.78 1k73 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k73 n GLY 131 N -2.18 0.40 3.34 3.03 0.00 -1.25 -5.03 105.19 103.50 1k73 n GLY 131 Ca -0.04 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1k73 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k73 s ARG 132 N -3.90 1.30 0.16 1.61 3.52 -1.23 -5.02 118.95 115.40 1k73 s ARG 132 Ca 0.00 -1.38 0.08 0.00 -0.13 0.00 0.00 55.73 54.30 1k73 s ARG 132 Cb 0.00 -1.47 -0.04 0.00 -1.56 0.00 0.00 34.95 31.88 1k73 s ARG 132 CO 0.00 0.31 -0.17 0.00 -0.81 0.00 0.00 175.30 174.63 1k73 s ALA 133 N -1.77 1.93 0.18 6.12 0.00 -1.26 0.12 121.76 127.07 1k73 s ALA 133 Ca 0.15 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 1k73 s ALA 133 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1k73 s ALA 133 CO 0.07 0.19 0.08 -1.54 0.00 0.00 0.00 175.76 174.56 1k73 s SER 134 N -2.73 0.48 0.57 0.00 1.04 -0.81 -4.90 113.70 107.35 1k73 s SER 134 Ca 0.16 -1.30 -0.20 0.00 0.48 0.00 0.00 55.95 55.09 1k73 s SER 134 Cb -0.05 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1k73 s SER 134 CO 0.06 -0.75 1.25 0.00 0.98 0.00 0.00 173.24 174.78 1k73 s ALA 135 N -4.00 2.63 -0.46 5.32 0.00 -1.26 -0.30 121.76 123.69 1k73 s ALA 135 Ca 0.32 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1k73 s ALA 135 Cb 0.07 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.91 1k73 s ALA 135 CO 0.08 -1.22 0.62 1.87 0.00 0.00 0.00 175.76 177.11 1k73 n TRP 136 N -1.37 -2.44 -3.40 0.00 -0.00 0.22 -4.62 117.44 105.84 1k73 n TRP 136 Ca 0.12 -2.30 -0.19 0.00 -0.00 0.00 0.00 57.50 55.14 1k73 n TRP 136 Cb 0.48 0.90 -0.01 0.00 -0.00 0.00 0.00 31.31 32.68 1k73 n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1k73 s ASN 137 N -0.16 5.66 -0.11 5.87 0.01 -1.26 -2.75 114.94 122.19 1k73 s ASN 137 Ca 0.32 -0.37 0.02 0.00 -0.71 0.00 0.00 52.86 52.12 1k73 s ASN 137 Cb 0.08 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.81 1k73 s ASN 137 CO -0.14 -0.54 -0.17 -0.44 -1.51 0.00 0.00 177.10 174.30 1k73 s SER 138 N -4.19 2.57 0.62 -1.22 0.01 -0.64 -4.94 113.70 105.91 1k73 s SER 138 Ca 0.48 -0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 1k73 s SER 138 Cb -0.08 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1k73 s SER 138 CO 0.31 0.03 1.17 -2.84 0.41 0.00 0.00 173.24 172.31 1k73 s PRO 139 N 0.93 2.89 -0.13 12.44 0.02 -1.26 0.11 135.00 150.00 1k73 s PRO 139 Ca -0.07 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.64 1k73 s PRO 139 Cb -0.15 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1k73 s PRO 139 CO -0.01 -1.23 -0.19 -0.65 -0.33 0.00 0.00 177.00 174.59 1k73 s GLN 140 N -3.58 2.71 -0.01 5.54 -0.21 0.61 -3.48 119.66 121.24 1k73 s GLN 140 Ca 0.73 -0.74 0.08 0.00 0.02 0.00 0.00 55.36 55.45 1k73 s GLN 140 Cb -0.26 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1k73 s GLN 140 CO 0.35 -0.03 -0.26 0.08 -2.12 0.00 0.00 175.29 173.31 1k73 s VAL 141 N 0.88 2.10 0.14 1.09 1.01 0.25 -0.94 120.40 124.93 1k73 s VAL 141 Ca -0.07 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1k73 s VAL 141 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1k73 s VAL 141 CO -0.02 0.56 -0.08 -1.81 0.00 0.00 0.00 175.10 173.75 1k73 s ASP 142 N -0.68 4.41 -0.23 3.32 1.11 -0.41 0.76 116.67 124.95 1k73 s ASP 142 Ca 0.10 -0.45 -0.16 0.00 0.18 0.00 0.00 52.55 52.22 1k73 s ASP 142 Cb -0.10 -0.83 0.07 0.00 1.07 0.00 0.00 42.92 43.13 1k73 s ASP 142 CO -0.01 0.14 0.58 0.54 1.18 0.00 0.00 175.17 177.60 1k73 s VAL 143 N -1.45 -0.01 0.07 -1.27 0.11 -0.98 -1.14 120.40 115.73 1k73 s VAL 143 Ca 0.23 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1k73 s VAL 143 Cb -0.10 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1k73 s VAL 143 CO 0.15 0.01 0.02 -1.83 -3.33 0.00 0.00 175.10 170.12 1k73 s GLU 144 N 1.01 2.69 -0.07 1.54 -1.05 -0.74 -1.63 118.70 120.46 1k73 s GLU 144 Ca -0.06 -0.75 -0.04 0.00 -0.15 0.00 0.00 54.97 53.98 1k73 s GLU 144 Cb -0.05 -2.62 0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1k73 s GLU 144 CO -0.09 0.57 0.16 -1.17 0.95 0.00 0.00 175.26 175.67 1k73 s LEU 145 N -2.16 0.86 -0.17 1.83 2.96 -0.52 -2.02 118.68 119.47 1k73 s LEU 145 Ca 0.25 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1k73 s LEU 145 Cb -0.12 0.45 0.04 0.00 0.50 0.00 0.00 46.19 47.06 1k73 s LEU 145 CO 0.17 -0.13 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.36 1k73 s ILE 146 N 0.90 1.40 0.09 6.68 1.01 0.11 -1.59 121.20 129.80 1k73 s ILE 146 Ca -0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1k73 s ILE 146 Cb -0.09 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 1k73 s ILE 146 CO -0.05 0.23 0.44 -0.76 0.00 0.00 0.00 174.94 174.80 1k73 s LEU 147 N 1.52 4.36 -0.01 2.97 1.43 0.18 -1.06 118.68 128.08 1k73 s LEU 147 Ca 0.01 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1k73 s LEU 147 Cb -0.15 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1k73 s LEU 147 CO -0.08 0.17 0.01 -0.70 0.23 0.00 0.00 176.35 175.98 1k73 s GLU 148 N -1.81 0.02 0.35 1.70 2.12 0.04 -0.91 118.70 120.20 1k73 s GLU 148 Ca 0.33 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1k73 s GLU 148 Cb -0.15 0.00 -0.11 0.00 0.26 0.00 0.00 34.13 34.14 1k73 s GLU 148 CO 0.18 -0.01 1.53 -1.21 -0.54 0.00 0.00 175.26 175.21 1k73 s GLU 149 N 0.03 4.10 0.00 4.30 2.02 -1.03 -1.02 118.70 127.11 1k73 s GLU 149 Ca -0.00 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.58 1k73 s GLU 149 Cb -0.00 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1k73 s GLU 149 CO -0.00 -0.58 0.36 -2.30 0.02 0.00 0.00 175.26 172.76