#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s ILE 2 N 0.00 2.42 0.19 -0.61 -4.36 -1.26 -5.13 121.20 112.45 3i56 s ILE 2 Ca 0.00 -0.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.88 3i56 s ILE 2 Cb 0.00 -2.88 -0.05 0.00 1.25 0.00 0.00 42.46 40.78 3i56 s ILE 2 CO 0.00 0.00 -0.00 -0.44 0.24 0.00 0.00 174.94 174.74 3i56 s SER 3 N -4.54 1.40 -0.07 4.36 0.01 -1.26 -5.11 113.70 108.49 3i56 s SER 3 Ca 0.61 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 3i56 s SER 3 Cb -0.09 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.17 3i56 s SER 3 CO 0.42 -0.55 1.69 -0.31 0.41 0.00 0.00 173.24 174.90 3i56 s TYR 4 N -3.58 1.91 -0.31 2.43 1.51 -1.26 -4.88 117.35 113.17 3i56 s TYR 4 Ca 0.25 0.20 0.27 0.00 -1.01 0.00 0.00 57.07 56.78 3i56 s TYR 4 Cb 0.06 -3.95 0.79 0.00 -0.11 0.00 0.00 41.96 38.74 3i56 s TYR 4 CO 0.05 -3.88 1.76 0.66 -1.11 0.00 0.00 175.55 173.03 3i56 h SER 5 N 9.96 0.00 -4.01 2.29 4.64 -2.02 -3.44 113.55 120.97 3i56 h SER 5 Ca -0.39 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.24 3i56 h SER 5 Cb 1.18 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 3i56 h SER 5 CO 0.96 0.00 -0.77 -0.69 -0.87 0.00 0.00 176.83 175.46 3i56 s VAL 6 N -3.35 3.03 0.38 0.95 1.01 -1.26 -5.12 120.40 116.05 3i56 s VAL 6 Ca 0.05 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3i56 s VAL 6 Cb 0.08 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 3i56 s VAL 6 CO 0.60 0.53 1.03 -1.61 0.00 0.00 0.00 175.10 175.65 3i56 s GLU 7 N -0.90 4.25 -0.00 2.72 2.02 -1.26 -5.07 118.70 120.45 3i56 s GLU 7 Ca 0.12 1.49 0.00 0.00 0.02 0.00 0.00 54.97 56.60 3i56 s GLU 7 Cb -0.11 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.53 3i56 s GLU 7 CO 0.02 -0.06 -0.00 0.00 0.02 0.00 0.00 175.26 175.24 3i56 s ALA 8 N -1.64 0.07 -0.47 5.21 0.00 -1.26 -5.12 121.76 118.55 3i56 s ALA 8 Ca 0.56 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 3i56 s ALA 8 Cb -0.22 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3i56 s ALA 8 CO 0.27 -0.01 0.68 0.34 0.00 0.00 0.00 175.76 177.04 3i56 s ASP 9 N 0.20 6.30 0.59 0.00 -1.08 -1.26 -4.97 116.67 116.46 3i56 s ASP 9 Ca -0.02 -0.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.83 3i56 s ASP 9 Cb -0.03 -2.33 1.38 0.00 -1.46 0.00 0.00 42.92 40.48 3i56 s ASP 9 CO -0.01 -0.86 1.77 1.55 0.52 0.00 0.00 175.17 178.15 3i56 h PRO 10 N 8.96 0.00 0.00 4.34 0.13 -2.00 -1.67 132.00 141.75 3i56 h PRO 10 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i56 h PRO 10 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i56 h PRO 10 CO 0.93 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.26 3i56 h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.03 -3.27 116.42 115.88 3i56 h ASP 11 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3i56 h ASP 11 Cb 1.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3i56 h ASP 11 CO -0.00 0.00 -0.00 0.35 -1.72 0.00 0.00 179.24 177.87 3i56 n THR 12 N -2.97 0.48 -4.27 0.35 -2.24 -0.69 -5.06 114.28 99.88 3i56 n THR 12 Ca 0.02 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 3i56 n THR 12 Cb 0.39 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 3i56 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i56 s THR 13 N -0.48 0.70 -0.09 4.28 2.01 -0.85 -2.48 115.64 118.73 3i56 s THR 13 Ca 0.00 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.44 3i56 s THR 13 Cb 0.00 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.88 3i56 s THR 13 CO 0.00 0.04 -0.23 0.00 -0.69 0.00 0.00 174.62 173.74 3i56 s ALA 14 N -0.53 2.05 0.23 7.40 0.00 -0.77 -4.67 121.76 125.46 3i56 s ALA 14 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3i56 s ALA 14 Cb -0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3i56 s ALA 14 CO 0.00 0.28 0.03 0.15 0.00 0.00 0.00 175.76 176.23 3i56 s LYS 15 N 0.33 2.45 -0.14 0.00 1.02 -1.26 0.08 119.74 122.23 3i56 s LYS 15 Ca -0.17 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 3i56 s LYS 15 Cb -0.17 -2.31 0.09 0.00 -0.52 0.00 0.00 37.83 34.92 3i56 s LYS 15 CO 0.08 0.41 0.83 0.00 -0.92 0.00 0.00 175.35 175.75 3i56 s ALA 16 N -2.05 -1.85 0.04 5.17 0.00 -0.55 -4.70 121.76 117.83 3i56 s ALA 16 Ca 0.30 1.55 -0.05 0.00 0.00 0.00 0.00 51.96 53.76 3i56 s ALA 16 Cb -0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3i56 s ALA 16 CO 0.20 -0.33 0.10 -1.64 0.00 0.00 0.00 175.76 174.09 3i56 s MET 17 N -0.83 0.60 -0.01 0.00 -1.94 -1.26 -1.29 119.30 114.56 3i56 s MET 17 Ca -0.05 -0.78 0.08 0.00 -1.71 0.00 0.00 55.69 53.22 3i56 s MET 17 Cb -0.01 0.24 -0.02 0.00 2.01 0.00 0.00 34.83 37.04 3i56 s MET 17 CO 0.04 -0.15 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.15 3i56 s LEU 18 N -2.20 2.06 0.03 -0.03 1.43 -0.95 -4.98 118.68 114.04 3i56 s LEU 18 Ca -0.04 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 3i56 s LEU 18 Cb -0.00 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 3i56 s LEU 18 CO -0.05 0.30 -0.24 -0.13 0.23 0.00 0.00 176.35 176.45 3i56 s ARG 19 N -0.65 1.72 -0.76 1.70 1.81 -1.26 -2.62 118.95 118.89 3i56 s ARG 19 Ca 0.10 -0.99 -0.10 0.00 -1.72 0.00 0.00 55.73 53.02 3i56 s ARG 19 Cb -0.10 -1.81 0.10 0.00 -0.45 0.00 0.00 34.95 32.69 3i56 s ARG 19 CO -0.01 0.48 0.24 0.39 -0.68 0.00 0.00 175.30 175.72 3i56 n GLU 20 N 2.00 -1.74 -2.00 3.54 1.02 -1.07 -4.88 120.64 117.51 3i56 n GLU 20 Ca -0.17 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 3i56 n GLU 20 Cb 0.52 -3.83 -0.03 0.00 -0.02 0.00 0.00 31.44 28.09 3i56 n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i56 s ARG 21 N -5.14 4.19 -1.01 3.49 1.81 0.67 -4.55 118.95 118.41 3i56 s ARG 21 Ca 0.34 2.21 -0.21 0.00 -1.72 0.00 0.00 55.73 56.35 3i56 s ARG 21 Cb -0.20 -3.88 0.09 0.00 -0.45 0.00 0.00 34.95 30.52 3i56 s ARG 21 CO 0.41 -0.80 1.34 -0.65 -0.68 0.00 0.00 175.30 174.92 3i56 s GLN 22 N 3.62 3.64 0.22 3.54 -0.21 -1.26 -0.26 119.66 128.95 3i56 s GLN 22 Ca 0.73 -1.49 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 3i56 s GLN 22 Cb -0.35 -5.18 0.01 0.00 1.00 0.00 0.00 33.01 28.49 3i56 s GLN 22 CO 0.30 -2.02 0.49 0.00 -2.12 0.00 0.00 175.29 171.94 3i56 s MET 23 N 3.87 1.46 -0.06 2.91 0.23 -1.22 -5.02 119.30 121.48 3i56 s MET 23 Ca 0.41 -1.09 -0.30 0.00 -1.03 0.00 0.00 55.69 53.69 3i56 s MET 23 Cb -0.02 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 3i56 s MET 23 CO -0.08 -0.61 1.64 0.45 -2.03 0.00 0.00 175.02 174.38 3i56 s SER 24 N -2.95 6.67 0.26 -1.18 0.15 -1.26 -4.53 113.70 110.85 3i56 s SER 24 Ca 0.16 2.19 0.03 0.00 0.70 0.00 0.00 55.95 59.03 3i56 s SER 24 Cb -0.01 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.12 3i56 s SER 24 CO 0.04 -0.93 1.66 0.15 1.20 0.00 0.00 173.24 175.35 3i56 h PHE 25 N 9.54 0.48 -0.41 3.44 3.57 -1.95 -2.48 116.94 129.13 3i56 h PHE 25 Ca -0.39 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 60.91 3i56 h PHE 25 Cb 1.17 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3i56 h PHE 25 CO 0.88 0.74 -0.07 0.87 -2.23 0.00 0.00 178.31 178.50 3i56 h LYS 26 N 0.34 0.70 -0.09 1.11 1.57 -2.01 -2.33 116.57 115.86 3i56 h LYS 26 Ca 0.03 -0.21 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 3i56 h LYS 26 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3i56 h LYS 26 CO 0.07 0.77 -0.76 0.45 -0.57 0.00 0.00 179.45 179.40 3i56 h HIS 27 N 0.65 0.70 -0.57 -1.35 3.86 -1.93 -3.19 115.15 113.31 3i56 h HIS 27 Ca 0.12 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 3i56 h HIS 27 Cb 0.51 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 3i56 h HIS 27 CO 0.02 1.10 0.16 0.77 0.86 0.00 0.00 177.93 180.84 3i56 h SER 28 N 0.35 0.81 -0.59 2.45 0.02 -1.11 -2.47 113.55 113.02 3i56 h SER 28 Ca -0.04 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3i56 h SER 28 Cb 1.36 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 3i56 h SER 28 CO 0.14 0.77 0.11 0.11 -1.14 0.00 0.00 176.83 176.82 3i56 h LYS 29 N 0.84 1.00 -0.35 3.45 1.57 -1.42 -1.10 116.57 120.56 3i56 h LYS 29 Ca 0.19 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3i56 h LYS 29 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3i56 h LYS 29 CO -0.01 0.91 -0.36 0.00 -0.57 0.00 0.00 179.45 179.42 3i56 h ALA 30 N 1.17 0.69 -0.00 3.86 0.00 -1.52 -1.98 119.26 121.48 3i56 h ALA 30 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i56 h ALA 30 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i56 h ALA 30 CO 0.01 0.67 -0.00 0.82 0.00 0.00 0.00 179.25 180.74 3i56 h ILE 31 N 0.68 1.38 -0.37 0.00 2.04 -1.24 -2.15 117.51 117.85 3i56 h ILE 31 Ca 0.06 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 64.87 3i56 h ILE 31 Cb 0.92 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 39.08 3i56 h ILE 31 CO 0.09 0.29 -0.04 0.00 0.00 0.00 0.00 178.15 178.49 3i56 h ALA 32 N 0.52 0.30 -0.71 1.87 0.00 -1.22 0.96 119.26 120.98 3i56 h ALA 32 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3i56 h ALA 32 Cb 0.48 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3i56 h ALA 32 CO 0.00 -0.42 0.43 -0.09 0.00 0.00 0.00 179.25 179.17 3i56 h ARG 33 N 0.06 0.80 0.01 0.00 2.43 -1.35 -2.34 114.38 113.99 3i56 h ARG 33 Ca 0.18 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 3i56 h ARG 33 Cb 0.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3i56 h ARG 33 CO -0.34 0.53 -0.89 1.49 -1.51 0.00 0.00 179.97 179.25 3i56 h GLU 34 N 0.82 0.18 -0.01 0.20 4.57 -0.62 -3.27 114.58 116.45 3i56 h GLU 34 Ca 0.30 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3i56 h GLU 34 Cb 0.08 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3i56 h GLU 34 CO -0.14 0.95 -0.16 0.44 -1.18 0.00 0.00 179.01 178.93 3i56 n ILE 35 N -3.64 0.00 -2.35 2.32 -5.35 0.24 -4.84 119.36 105.75 3i56 n ILE 35 Ca -0.03 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.87 3i56 n ILE 35 Cb 0.82 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 3i56 n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i56 s LYS 36 N -2.33 4.43 0.00 6.28 2.20 -0.91 -2.60 119.74 126.80 3i56 s LYS 36 Ca 0.29 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 3i56 s LYS 36 Cb 0.20 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3i56 s LYS 36 CO 0.45 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 3i56 n GLY 37 N 2.92 3.36 3.84 5.54 0.00 -0.79 -5.03 105.19 115.03 3i56 n GLY 37 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3i56 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 s LYS 38 N -0.73 3.26 0.27 1.61 1.02 -1.07 -4.60 119.74 119.49 3i56 s LYS 38 Ca 0.00 0.91 -0.25 0.00 0.02 0.00 0.00 55.97 56.65 3i56 s LYS 38 Cb 0.00 -2.03 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 3i56 s LYS 38 CO 0.00 -0.84 0.87 -0.08 -0.92 0.00 0.00 175.35 174.37 3i56 s THR 39 N -3.01 4.31 0.40 2.17 -1.32 -1.26 -1.36 115.64 115.56 3i56 s THR 39 Ca 0.58 1.69 0.23 0.00 -1.21 0.00 0.00 61.69 62.97 3i56 s THR 39 Cb -0.13 -4.01 0.42 0.00 -1.51 0.00 0.00 72.50 67.26 3i56 s THR 39 CO 0.52 0.23 1.68 0.00 -2.21 0.00 0.00 174.62 174.84 3i56 h ALA 40 N 3.45 2.38 0.01 11.08 0.00 -0.61 0.20 119.26 135.77 3i56 h ALA 40 Ca -0.47 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3i56 h ALA 40 Cb 1.19 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i56 h ALA 40 CO 0.65 -0.94 -0.93 0.78 0.00 0.00 0.00 179.25 178.81 3i56 h GLY 41 N 0.23 0.34 1.35 0.00 0.00 -1.58 -2.46 103.07 100.95 3i56 h GLY 41 Ca 0.73 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 3i56 h GLY 41 CO -0.43 0.54 -0.26 0.83 0.00 0.00 0.00 176.54 177.21 3i56 h GLU 42 N 0.16 0.74 -0.56 4.80 5.08 -0.98 -1.89 114.58 121.93 3i56 h GLU 42 Ca -0.07 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 3i56 h GLU 42 Cb 1.57 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 3i56 h GLU 42 CO 0.15 0.92 -0.01 0.00 -1.00 0.00 0.00 179.01 179.07 3i56 h ALA 43 N 1.07 0.93 -0.12 3.43 0.00 -0.89 0.06 119.26 123.74 3i56 h ALA 43 Ca 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3i56 h ALA 43 Cb 0.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i56 h ALA 43 CO 0.06 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 180.14 3i56 h VAL 44 N 0.89 1.34 -0.46 0.00 2.07 -1.27 -0.97 116.25 117.86 3i56 h VAL 44 Ca 0.16 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3i56 h VAL 44 Cb 0.53 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3i56 h VAL 44 CO 0.03 0.35 0.26 0.44 0.02 0.00 0.00 177.57 178.67 3i56 h ASP 45 N -0.11 0.55 0.40 0.57 3.32 -1.21 -1.46 116.42 118.48 3i56 h ASP 45 Ca 0.02 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3i56 h ASP 45 Cb 0.60 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3i56 h ASP 45 CO 0.02 0.44 -0.19 0.22 -1.72 0.00 0.00 179.24 178.01 3i56 h TYR 46 N 0.63 -0.49 -0.35 4.55 3.20 -0.88 -3.14 116.97 120.49 3i56 h TYR 46 Ca 0.16 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 3i56 h TYR 46 Cb 0.00 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3i56 h TYR 46 CO 0.00 -0.31 0.34 -0.07 -1.64 0.00 0.00 178.16 176.49 3i56 h LEU 47 N -0.82 0.00 -0.29 2.82 3.38 -1.00 0.21 115.31 119.62 3i56 h LEU 47 Ca -0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 3i56 h LEU 47 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i56 h LEU 47 CO 0.09 0.00 -0.86 -0.33 0.09 0.00 0.00 178.44 177.43 3i56 h GLU 48 N 0.00 0.02 0.00 1.13 5.08 -1.34 -2.55 114.58 116.91 3i56 h GLU 48 Ca 0.16 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3i56 h GLU 48 Cb 0.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3i56 h GLU 48 CO -0.00 0.86 -0.32 0.00 -1.00 0.00 0.00 179.01 178.55 3i56 h ALA 49 N 1.13 0.83 -0.07 3.43 0.00 -0.92 -2.84 119.26 120.82 3i56 h ALA 49 Ca -0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3i56 h ALA 49 Cb 1.52 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3i56 h ALA 49 CO 0.11 0.40 -0.78 0.28 0.00 0.00 0.00 179.25 179.27 3i56 h VAL 50 N 0.00 1.32 -0.10 0.00 2.07 -1.24 0.33 116.25 118.62 3i56 h VAL 50 Ca -0.00 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 3i56 h VAL 50 Cb 1.15 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3i56 h VAL 50 CO 0.04 0.63 -0.11 0.40 0.02 0.00 0.00 177.57 178.55 3i56 h ILE 51 N 0.30 1.14 0.00 4.57 2.04 -1.40 -1.19 117.51 122.98 3i56 h ILE 51 Ca -0.08 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 3i56 h ILE 51 Cb 1.43 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3i56 h ILE 51 CO 0.16 0.19 -0.69 -0.08 0.00 0.00 0.00 178.15 177.73 3i56 h GLU 52 N 0.15 0.00 0.00 2.37 4.57 -1.42 -3.48 114.58 116.77 3i56 h GLU 52 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i56 h GLU 52 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3i56 h GLU 52 CO 0.02 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 178.68 3i56 n GLY 53 N 1.25 0.91 0.06 1.92 0.00 -0.44 -4.98 105.19 103.91 3i56 n GLY 53 Ca -0.00 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3i56 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i56 n ASP 54 N 0.73 0.35 -3.81 1.61 8.00 0.10 -4.88 116.55 118.65 3i56 n ASP 54 Ca 0.00 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 3i56 n ASP 54 Cb 0.04 1.30 -0.17 0.00 -0.02 0.00 0.00 41.12 42.27 3i56 n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3i56 s GLN 55 N -3.38 0.72 0.16 -1.24 2.00 -1.02 -4.97 119.66 111.93 3i56 s GLN 55 Ca -0.05 0.03 -0.20 0.00 -2.00 0.00 0.00 55.36 53.14 3i56 s GLN 55 Cb 0.12 -0.97 -0.08 0.00 0.80 0.00 0.00 33.01 32.88 3i56 s GLN 55 CO 0.86 -0.24 0.66 -1.25 -0.50 0.00 0.00 175.29 174.82 3i56 s PRO 56 N 1.67 4.25 -0.28 1.67 0.04 -1.26 -4.06 135.00 137.04 3i56 s PRO 56 Ca 0.01 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 3i56 s PRO 56 Cb -0.13 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 3i56 s PRO 56 CO -0.04 0.51 0.60 0.08 0.04 0.00 0.00 177.00 178.19 3i56 s VAL 57 N -1.33 4.99 0.03 -0.36 1.01 0.29 -4.90 120.40 120.13 3i56 s VAL 57 Ca 0.37 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3i56 s VAL 57 Cb -0.18 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 3i56 s VAL 57 CO 0.21 -0.02 1.89 -2.84 0.00 0.00 0.00 175.10 174.34 3i56 s PRO 58 N 2.49 4.15 -0.88 2.72 0.02 -1.26 -1.53 135.00 140.71 3i56 s PRO 58 Ca 0.24 2.52 -0.15 0.00 0.02 0.00 0.00 61.00 63.64 3i56 s PRO 58 Cb -0.15 -4.07 0.20 0.00 0.02 0.00 0.00 34.50 30.49 3i56 s PRO 58 CO 0.10 -0.92 0.89 -0.06 -0.33 0.00 0.00 177.00 176.68 3i56 s PHE 59 N 4.20 3.61 0.00 6.54 2.99 0.21 -4.85 117.98 130.68 3i56 s PHE 59 Ca 0.85 -1.86 0.09 0.00 0.00 0.00 0.00 56.93 56.00 3i56 s PHE 59 Cb -0.41 -3.96 -0.23 0.00 0.00 0.00 0.00 43.02 38.42 3i56 s PHE 59 CO 0.39 -1.13 0.84 0.87 -0.00 0.00 0.00 175.22 176.18 3i56 h LYS 60 N 8.01 0.03 0.00 0.44 1.57 -1.92 -3.40 116.57 121.30 3i56 h LYS 60 Ca 0.13 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 3i56 h LYS 60 Cb 1.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3i56 h LYS 60 CO 0.87 0.71 -1.69 0.94 -0.57 0.00 0.00 179.45 179.70 3i56 n GLN 61 N -3.18 0.41 -2.77 3.15 7.27 -1.26 -4.74 117.38 116.26 3i56 n GLN 61 Ca -0.13 0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.69 3i56 n GLN 61 Cb 1.02 -1.20 0.01 0.00 2.41 0.00 0.00 30.24 32.49 3i56 n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i56 n HIS 62 N -3.98 2.45 0.64 3.69 8.25 -1.26 -4.70 115.22 120.31 3i56 n HIS 62 Ca -0.31 -2.61 0.08 0.00 -0.26 0.00 0.00 57.72 54.62 3i56 n HIS 62 Cb 0.66 -1.38 0.05 0.00 1.12 0.00 0.00 29.99 30.44 3i56 n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3i56 n ASN 63 N 1.43 2.13 -4.52 0.41 6.94 -1.26 -4.96 115.26 115.43 3i56 n ASN 63 Ca 0.34 -1.56 -0.46 0.00 -0.02 0.00 0.00 54.58 52.88 3i56 n ASN 63 Cb 0.32 0.10 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 3i56 n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3i56 n SER 64 N 0.66 2.60 0.00 0.53 3.41 -1.26 -1.27 113.62 118.29 3i56 n SER 64 Ca 0.08 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3i56 n SER 64 Cb 0.37 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 3i56 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i56 n GLY 65 N 6.18 1.92 3.73 5.00 0.00 -1.26 -5.04 105.19 115.72 3i56 n GLY 65 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 3i56 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 66 N -2.39 3.10 0.52 1.61 1.01 -0.40 -4.99 120.40 118.85 3i56 s VAL 66 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 3i56 s VAL 66 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3i56 s VAL 66 CO 0.00 0.09 1.08 -0.83 0.00 0.00 0.00 175.10 175.44 3i56 s GLY 67 N 0.77 2.55 0.22 4.51 0.00 -1.26 -4.79 107.32 109.32 3i56 s GLY 67 Ca 0.62 0.70 -0.30 0.00 0.00 0.00 0.00 44.72 45.74 3i56 s GLY 67 CO 0.35 1.04 1.21 0.30 0.00 0.00 0.00 173.10 175.99 3i56 s HIS 68 N -1.90 3.39 -0.15 1.90 0.09 -1.26 -3.47 115.29 113.89 3i56 s HIS 68 Ca 0.70 1.43 -0.00 0.00 -0.00 0.00 0.00 55.06 57.19 3i56 s HIS 68 Cb -0.20 -3.46 -0.01 0.00 -0.00 0.00 0.00 32.58 28.91 3i56 s HIS 68 CO 0.24 -1.27 -0.13 0.15 -0.00 0.00 0.00 174.74 173.73 3i56 s LYS 69 N -0.56 3.33 0.47 1.40 -0.14 0.06 -4.92 119.74 119.39 3i56 s LYS 69 Ca 0.52 -0.70 0.12 0.00 -1.36 0.00 0.00 55.97 54.55 3i56 s LYS 69 Cb -0.34 -2.67 1.10 0.00 -1.68 0.00 0.00 37.83 34.24 3i56 s LYS 69 CO 0.39 0.11 2.11 0.66 -0.76 0.00 0.00 175.35 177.86 3i56 h SER 70 N 7.04 0.20 0.43 2.83 4.64 -1.97 -2.74 113.55 123.98 3i56 h SER 70 Ca -0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3i56 h SER 70 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3i56 h SER 70 CO 0.57 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.96 3i56 n LYS 71 N -4.51 0.44 -2.85 4.77 5.02 -1.26 -4.81 118.16 114.97 3i56 n LYS 71 Ca -0.00 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 3i56 n LYS 71 Cb 0.08 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 3i56 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i56 s VAL 72 N -2.49 4.20 -0.10 -0.18 1.01 -1.04 -4.93 120.40 116.87 3i56 s VAL 72 Ca 0.27 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.21 3i56 s VAL 72 Cb 0.18 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3i56 s VAL 72 CO 0.39 0.51 -0.21 -0.62 0.00 0.00 0.00 175.10 175.17 3i56 s ASP 73 N -1.15 3.35 0.00 3.32 2.15 -1.26 -4.59 116.67 118.48 3i56 s ASP 73 Ca 0.39 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.88 3i56 s ASP 73 Cb -0.25 -1.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 3i56 s ASP 73 CO 0.30 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 176.08 3i56 n GLY 74 N 3.43 3.05 3.42 2.66 0.00 -1.26 -4.95 105.19 111.53 3i56 n GLY 74 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3i56 n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i56 s TRP 75 N -1.66 1.73 0.02 1.61 -0.11 -1.26 -5.13 118.94 114.14 3i56 s TRP 75 Ca 0.00 -1.39 -0.04 0.00 1.22 0.00 0.00 56.10 55.89 3i56 s TRP 75 Cb 0.00 -0.98 -0.02 0.00 -1.50 0.00 0.00 33.47 30.97 3i56 s TRP 75 CO 0.00 -0.49 -0.08 -0.40 -4.62 0.00 0.00 176.95 171.36 3i56 n ASP 76 N -1.27 1.13 -4.75 5.86 5.68 -1.26 -4.75 116.55 117.20 3i56 n ASP 76 Ca -0.01 0.16 -0.40 0.00 -0.50 0.00 0.00 54.79 54.04 3i56 n ASP 76 Cb 0.64 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 40.19 3i56 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i56 s ALA 77 N -2.19 3.33 0.02 2.12 0.00 -1.26 -0.76 121.76 123.02 3i56 s ALA 77 Ca -0.07 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 3i56 s ALA 77 Cb 0.01 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 20.04 3i56 s ALA 77 CO 0.10 0.15 0.77 0.20 0.00 0.00 0.00 175.76 176.98 3i56 s GLY 78 N -0.78 -0.51 0.24 0.00 0.00 -1.23 -0.62 107.32 104.42 3i56 s GLY 78 Ca 0.42 1.02 0.04 0.00 0.00 0.00 0.00 44.72 46.19 3i56 s GLY 78 CO 0.30 0.47 0.13 0.54 0.00 0.00 0.00 173.10 174.54 3i56 n ARG 79 N 0.03 0.51 -3.47 2.90 1.74 -0.58 -4.72 116.66 113.06 3i56 n ARG 79 Ca -0.13 -2.18 -0.27 0.00 -0.77 0.00 0.00 57.85 54.50 3i56 n ARG 79 Cb 0.62 1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 33.41 3i56 n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i56 n TYR 80 N -0.51 2.93 -2.23 -1.55 4.02 -1.26 -0.55 117.16 118.01 3i56 n TYR 80 Ca 0.00 -4.08 -0.38 0.00 -0.01 0.00 0.00 57.90 53.43 3i56 n TYR 80 Cb 0.39 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 39.16 3i56 n TYR 80 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3i56 s PRO 81 N -2.07 2.86 0.07 -0.72 0.04 -1.26 -4.88 135.00 129.04 3i56 s PRO 81 Ca 0.37 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 3i56 s PRO 81 Cb 0.12 -4.53 -0.12 0.00 0.04 0.00 0.00 34.50 30.00 3i56 s PRO 81 CO -0.06 -2.63 1.35 1.05 0.04 0.00 0.00 177.00 176.76 3i56 h GLU 82 N 12.51 0.54 0.45 4.56 4.11 -1.92 -2.58 114.58 132.26 3i56 h GLU 82 Ca -0.16 -0.32 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 3i56 h GLU 82 Cb 1.09 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3i56 h GLU 82 CO 1.25 0.91 -0.30 -0.22 0.07 0.00 0.00 179.01 180.73 3i56 h LYS 83 N 0.21 -0.70 -0.09 1.06 3.64 -1.99 0.41 116.57 119.11 3i56 h LYS 83 Ca 0.02 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3i56 h LYS 83 Cb 0.85 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3i56 h LYS 83 CO 0.06 -0.46 -0.02 0.00 -2.27 0.00 0.00 179.45 176.76 3i56 h ALA 84 N -0.24 1.80 0.00 5.00 0.00 -1.93 -1.51 119.26 122.38 3i56 h ALA 84 Ca -0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3i56 h ALA 84 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3i56 h ALA 84 CO 0.04 0.15 -0.74 0.77 0.00 0.00 0.00 179.25 179.47 3i56 h SER 85 N 0.12 0.00 0.76 0.00 0.02 -1.01 -2.69 113.55 110.76 3i56 h SER 85 Ca 0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3i56 h SER 85 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3i56 h SER 85 CO 0.00 0.74 -0.35 0.11 -1.14 0.00 0.00 176.83 176.20 3i56 h LYS 86 N 0.00 0.00 0.00 3.45 1.57 0.12 -1.46 116.57 120.25 3i56 h LYS 86 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 3i56 h LYS 86 Cb 1.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 3i56 h LYS 86 CO 0.10 0.35 -1.02 0.00 -0.57 0.00 0.00 179.45 178.31 3i56 h ALA 87 N 1.65 0.51 0.00 3.86 0.00 -1.35 -3.01 119.26 120.92 3i56 h ALA 87 Ca -0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 3i56 h ALA 87 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i56 h ALA 87 CO 0.05 1.13 -0.38 0.74 0.00 0.00 0.00 179.25 180.79 3i56 h PHE 88 N 0.00 0.00 0.00 0.00 -1.00 -1.13 -2.31 116.94 112.50 3i56 h PHE 88 Ca -0.06 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.62 3i56 h PHE 88 Cb 1.70 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.25 3i56 h PHE 88 CO 0.00 0.38 -0.47 -0.07 -1.61 0.00 0.00 178.31 176.54 3i56 h LEU 89 N 0.00 0.00 -0.20 1.54 3.38 -1.23 -0.94 115.31 117.87 3i56 h LEU 89 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3i56 h LEU 89 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3i56 h LEU 89 CO 0.05 0.47 -0.86 0.44 0.09 0.00 0.00 178.44 178.63 3i56 h ASP 90 N 0.00 0.00 -0.08 -0.43 3.32 -1.37 -1.28 116.42 116.58 3i56 h ASP 90 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 3i56 h ASP 90 Cb 1.16 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.72 3i56 h ASP 90 CO 0.06 0.86 -0.70 0.25 -1.72 0.00 0.00 179.24 177.99 3i56 h LEU 91 N 0.00 0.75 -0.70 1.55 5.85 -1.11 -2.85 115.31 118.81 3i56 h LEU 91 Ca -0.01 -0.68 -0.08 0.00 0.84 0.00 0.00 57.88 57.95 3i56 h LEU 91 Cb 1.57 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3i56 h LEU 91 CO 0.11 1.32 -0.38 -0.07 -0.34 0.00 0.00 178.44 179.07 3i56 h LEU 92 N 0.24 0.00 -0.48 2.25 3.38 -1.16 -1.49 115.31 118.05 3i56 h LEU 92 Ca -0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 3i56 h LEU 92 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3i56 h LEU 92 CO 0.14 0.38 -0.64 -0.08 0.09 0.00 0.00 178.44 178.33 3i56 h GLU 93 N 0.00 0.45 -0.03 1.13 4.81 -1.24 -2.28 114.58 117.42 3i56 h GLU 93 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3i56 h GLU 93 Cb 1.01 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3i56 h GLU 93 CO 0.05 0.94 -0.11 -0.97 -0.73 0.00 0.00 179.01 178.19 3i56 h ASN 94 N 0.33 0.15 -0.78 1.04 -1.24 -1.31 -2.04 115.58 111.73 3i56 h ASN 94 Ca -0.01 -0.64 -0.00 0.00 0.71 0.00 0.00 56.30 56.35 3i56 h ASN 94 Cb 1.20 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 3i56 h ASN 94 CO 0.11 0.77 0.47 0.00 -1.29 0.00 0.00 177.43 177.49 3i56 h ALA 95 N 0.38 0.99 0.00 1.57 0.00 -1.29 0.14 119.26 121.06 3i56 h ALA 95 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3i56 h ALA 95 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i56 h ALA 95 CO 0.02 0.46 -0.40 0.28 0.00 0.00 0.00 179.25 179.61 3i56 h VAL 96 N 1.06 0.87 -0.03 0.00 2.07 -1.49 -1.92 116.25 116.82 3i56 h VAL 96 Ca 0.28 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.99 3i56 h VAL 96 Cb -0.04 2.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3i56 h VAL 96 CO -0.05 0.39 -0.53 1.23 0.02 0.00 0.00 177.57 178.63 3i56 h GLY 97 N 2.37 0.45 1.96 2.17 0.00 -0.56 -2.54 103.07 106.92 3i56 h GLY 97 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 3i56 h GLY 97 CO 0.05 0.66 -0.24 3.43 0.00 0.00 0.00 176.54 180.43 3i56 h ASN 98 N -0.10 0.05 -0.06 0.19 -0.26 -0.70 -2.77 115.58 111.93 3i56 h ASN 98 Ca -0.06 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 3i56 h ASN 98 Cb 1.23 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3i56 h ASN 98 CO 0.11 0.30 -0.05 0.00 -1.06 0.00 0.00 177.43 176.73 3i56 h ALA 99 N 1.71 0.09 -0.26 -0.83 0.00 -1.31 -2.92 119.26 115.73 3i56 h ALA 99 Ca 0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3i56 h ALA 99 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i56 h ALA 99 CO 0.03 -0.13 -0.16 -0.44 0.00 0.00 0.00 179.25 178.55 3i56 h ASP 100 N -0.27 0.45 0.74 0.00 3.32 -1.31 -0.74 116.42 118.61 3i56 h ASP 100 Ca 0.01 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3i56 h ASP 100 Cb 0.53 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3i56 h ASP 100 CO 0.01 0.64 -0.32 -0.74 -1.72 0.00 0.00 179.24 177.12 3i56 h HIS 101 N 0.42 0.00 -0.01 4.55 2.76 -1.54 -1.61 115.15 119.72 3i56 h HIS 101 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3i56 h HIS 101 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.50 3i56 h HIS 101 CO 0.02 0.32 -0.14 1.04 -1.30 0.00 0.00 177.93 177.87 3i56 n GLN 102 N -3.58 1.11 -1.31 5.26 6.02 -0.85 -4.94 117.38 119.08 3i56 n GLN 102 Ca -0.01 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.38 3i56 n GLN 102 Cb 0.45 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3i56 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i56 n GLY 103 N 1.26 0.80 3.97 1.08 0.00 -0.61 -5.08 105.19 106.62 3i56 n GLY 103 Ca 0.15 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3i56 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i56 s PHE 104 N -2.00 1.42 -0.70 1.61 0.40 -0.34 -5.00 117.98 113.36 3i56 s PHE 104 Ca 0.00 -0.81 -0.09 0.00 -0.60 0.00 0.00 56.93 55.43 3i56 s PHE 104 Cb 0.00 -2.05 0.18 0.00 0.51 0.00 0.00 43.02 41.67 3i56 s PHE 104 CO 0.00 -0.86 0.58 0.34 0.70 0.00 0.00 175.22 175.98 3i56 s ASP 105 N -4.50 6.01 0.14 1.36 2.15 -1.26 -4.28 116.67 116.30 3i56 s ASP 105 Ca 0.48 -2.66 -0.20 0.00 0.43 0.00 0.00 52.55 50.60 3i56 s ASP 105 Cb -0.04 -2.04 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 3i56 s ASP 105 CO 0.30 -0.51 1.68 1.23 -0.17 0.00 0.00 175.17 177.70 3i56 h GLY 106 N 7.56 0.13 1.78 2.66 0.00 -1.87 -3.04 103.07 110.30 3i56 h GLY 106 Ca 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3i56 h GLY 106 CO 0.76 -0.12 -0.08 0.83 0.00 0.00 0.00 176.54 177.93 3i56 h GLU 107 N -0.05 0.28 -0.40 4.80 5.08 -1.93 -2.63 114.58 119.73 3i56 h GLU 107 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i56 h GLU 107 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i56 h GLU 107 CO -0.29 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 3i56 n ALA 108 N -2.49 2.50 -2.47 3.43 0.00 -1.16 -1.62 120.51 118.70 3i56 n ALA 108 Ca -0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 53.44 52.40 3i56 n ALA 108 Cb 0.24 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3i56 n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3i56 s MET 109 N -1.55 4.22 0.27 0.00 -1.94 -0.99 -4.62 119.30 114.69 3i56 s MET 109 Ca 0.24 0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 54.57 3i56 s MET 109 Cb 0.13 -3.31 -0.09 0.00 2.01 0.00 0.00 34.83 33.57 3i56 s MET 109 CO 0.16 0.46 0.98 0.99 -0.01 0.00 0.00 175.02 177.59 3i56 s THR 110 N -0.45 3.96 -0.75 2.05 2.01 -0.17 -0.18 115.64 122.11 3i56 s THR 110 Ca 0.28 1.88 -0.23 0.00 0.31 0.00 0.00 61.69 63.93 3i56 s THR 110 Cb -0.18 -4.16 0.07 0.00 0.01 0.00 0.00 72.50 68.24 3i56 s THR 110 CO 0.16 0.38 1.12 -0.63 -0.69 0.00 0.00 174.62 174.96 3i56 s ILE 111 N -1.28 4.18 0.11 1.82 1.01 -0.47 -0.28 121.20 126.28 3i56 s ILE 111 Ca 0.44 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 3i56 s ILE 111 Cb -0.26 -4.80 -0.09 0.00 0.01 0.00 0.00 42.46 37.32 3i56 s ILE 111 CO 0.32 -1.62 1.40 0.50 0.00 0.00 0.00 174.94 175.54 3i56 h LYS 112 N 9.62 0.80 -3.20 2.79 3.64 -1.58 -2.10 116.57 126.55 3i56 h LYS 112 Ca -0.18 -0.48 -0.16 0.00 -1.27 0.00 0.00 60.65 58.56 3i56 h LYS 112 Cb 1.05 0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 32.67 3i56 h LYS 112 CO 1.22 1.11 -0.44 -1.58 -2.27 0.00 0.00 179.45 177.50 3i56 s HIS 113 N -4.19 -0.23 -0.28 1.91 5.04 -1.09 -4.86 115.29 111.59 3i56 s HIS 113 Ca -0.11 0.54 -0.11 0.00 -1.54 0.00 0.00 55.06 53.83 3i56 s HIS 113 Cb 0.09 0.08 0.11 0.00 0.04 0.00 0.00 32.58 32.90 3i56 s HIS 113 CO 0.87 -0.15 0.64 0.54 -2.34 0.00 0.00 174.74 174.29 3i56 s VAL 114 N -0.07 -0.70 -0.18 0.89 0.11 -1.26 -0.62 120.40 118.57 3i56 s VAL 114 Ca -0.02 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 3i56 s VAL 114 Cb -0.02 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3i56 s VAL 114 CO 0.01 0.01 0.47 0.00 -3.33 0.00 0.00 175.10 172.25 3i56 s ALA 115 N 2.53 -1.18 -0.08 1.54 0.00 -0.99 -4.76 121.76 118.83 3i56 s ALA 115 Ca -0.07 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 3i56 s ALA 115 Cb -0.10 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3i56 s ALA 115 CO -0.19 -0.24 0.23 0.00 0.00 0.00 0.00 175.76 175.57 3i56 s ALA 116 N 0.47 3.82 -0.07 0.00 0.00 -1.26 -2.11 121.76 122.60 3i56 s ALA 116 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3i56 s ALA 116 Cb -0.04 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3i56 s ALA 116 CO -0.02 0.57 -0.06 -1.01 0.00 0.00 0.00 175.76 175.24 3i56 s HIS 117 N -1.03 1.03 -0.42 0.00 3.76 0.09 -4.97 115.29 113.76 3i56 s HIS 117 Ca 0.18 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.42 3i56 s HIS 117 Cb -0.14 -0.89 0.02 0.00 1.11 0.00 0.00 32.58 32.68 3i56 s HIS 117 CO 0.07 -0.30 1.17 0.21 -0.85 0.00 0.00 174.74 175.04 3i56 s LYS 118 N 1.24 3.80 0.19 1.40 2.20 -1.26 -1.72 119.74 125.59 3i56 s LYS 118 Ca -0.05 0.78 0.22 0.00 -0.36 0.00 0.00 55.97 56.55 3i56 s LYS 118 Cb -0.14 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 3i56 s LYS 118 CO -0.02 -1.28 1.03 0.28 -0.36 0.00 0.00 175.35 175.01 3i56 h VAL 119 N 6.13 0.08 0.00 4.02 2.07 -1.42 -3.49 116.25 123.63 3i56 h VAL 119 Ca -0.23 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3i56 h VAL 119 Cb 1.07 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3i56 h VAL 119 CO 1.09 0.04 0.00 0.61 0.02 0.00 0.00 177.57 179.34 3i56 n GLY 120 N 1.21 -1.47 2.99 2.17 0.00 -1.14 -5.01 105.19 103.94 3i56 n GLY 120 Ca -0.01 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 3i56 n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i56 s GLU 121 N -1.30 1.08 -0.50 1.61 2.02 -1.26 -0.15 118.70 120.19 3i56 s GLU 121 Ca 0.00 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.46 3i56 s GLU 121 Cb 0.00 -0.99 0.04 0.00 0.10 0.00 0.00 34.13 33.28 3i56 s GLU 121 CO 0.00 0.07 0.84 -1.14 0.02 0.00 0.00 175.26 175.05 3i56 s GLN 122 N 0.38 3.34 0.17 1.61 0.74 0.54 -4.91 119.66 121.53 3i56 s GLN 122 Ca -0.06 -0.27 -0.31 0.00 0.05 0.00 0.00 55.36 54.76 3i56 s GLN 122 Cb -0.11 -4.01 -0.09 0.00 1.10 0.00 0.00 33.01 29.90 3i56 s GLN 122 CO 0.01 -1.30 1.38 -0.65 -0.55 0.00 0.00 175.29 174.18 3i56 s GLN 123 N 3.51 4.33 0.25 1.67 -0.21 -1.26 -1.67 119.66 126.28 3i56 s GLN 123 Ca 0.28 2.13 0.03 0.00 0.02 0.00 0.00 55.36 57.82 3i56 s GLN 123 Cb -0.13 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.63 3i56 s GLN 123 CO 0.20 -0.38 0.05 0.20 -2.12 0.00 0.00 175.29 173.23 3i56 s GLY 124 N 0.71 1.69 -0.15 3.09 0.00 -1.21 -4.95 107.32 106.50 3i56 s GLY 124 Ca 0.61 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 3i56 s GLY 124 CO 0.35 -1.65 0.19 -1.60 0.00 0.00 0.00 173.10 170.39 3i56 s ARG 125 N -3.94 0.12 -0.27 2.90 6.06 -1.26 -2.01 118.95 120.55 3i56 s ARG 125 Ca 0.33 0.38 -0.12 0.00 -2.50 0.00 0.00 55.73 53.82 3i56 s ARG 125 Cb 0.07 -0.77 -0.05 0.00 0.06 0.00 0.00 34.95 34.26 3i56 s ARG 125 CO 0.11 -0.48 0.22 0.21 -2.50 0.00 0.00 175.30 172.86 3i56 s LYS 126 N 2.31 3.99 0.00 5.12 2.47 0.31 -4.89 119.74 129.06 3i56 s LYS 126 Ca 0.04 -0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 53.93 3i56 s LYS 126 Cb -0.14 -3.63 -0.06 0.00 -1.46 0.00 0.00 37.83 32.54 3i56 s LYS 126 CO -0.09 -0.14 1.54 -2.14 0.16 0.00 0.00 175.35 174.67 3i56 s PRO 127 N 1.66 4.23 0.56 4.03 0.02 -1.26 -2.01 135.00 142.22 3i56 s PRO 127 Ca 0.09 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.31 3i56 s PRO 127 Cb -0.15 -3.69 0.06 0.00 0.02 0.00 0.00 34.50 30.74 3i56 s PRO 127 CO 0.09 -0.70 0.57 1.03 -0.33 0.00 0.00 177.00 177.67 3i56 s ARG 128 N 2.92 2.28 0.81 5.54 1.81 -0.28 -4.96 118.95 127.07 3i56 s ARG 128 Ca 0.69 -1.86 -0.11 0.00 -1.72 0.00 0.00 55.73 52.73 3i56 s ARG 128 Cb -0.34 -2.34 0.08 0.00 -0.45 0.00 0.00 34.95 31.90 3i56 s ARG 128 CO 0.29 -0.73 1.09 0.00 -0.68 0.00 0.00 175.30 175.27 3i56 s ALA 129 N -2.73 2.10 -0.45 2.13 0.00 -1.26 -4.06 121.76 117.49 3i56 s ALA 129 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3i56 s ALA 129 Cb -0.04 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3i56 s ALA 129 CO 0.29 -1.85 0.00 -1.33 0.00 0.00 0.00 175.76 172.87 3i56 n MET 130 N -3.54 -0.44 -1.13 0.00 2.81 -1.26 -3.67 117.12 109.89 3i56 n MET 130 Ca 0.07 0.55 -0.05 0.00 -1.81 0.00 0.00 57.70 56.47 3i56 n MET 130 Cb 0.55 -4.21 -0.02 0.00 -0.71 0.00 0.00 33.22 28.83 3i56 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i56 n GLY 131 N -2.18 0.73 3.66 3.03 0.00 -1.26 -5.03 105.19 104.13 3i56 n GLY 131 Ca -0.04 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 3i56 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i56 s ARG 132 N -2.05 2.43 0.21 1.61 3.00 -1.24 -5.03 118.95 117.87 3i56 s ARG 132 Ca 0.00 -0.93 0.09 0.00 -1.00 0.00 0.00 55.73 53.89 3i56 s ARG 132 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 34.95 32.45 3i56 s ARG 132 CO 0.00 0.52 -0.17 0.00 0.00 0.00 0.00 175.30 175.65 3i56 s ALA 133 N -1.37 2.17 0.23 6.12 0.00 -1.26 -1.12 121.76 126.53 3i56 s ALA 133 Ca 0.25 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 3i56 s ALA 133 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3i56 s ALA 133 CO 0.17 0.16 0.27 -1.54 0.00 0.00 0.00 175.76 174.82 3i56 s SER 134 N -3.17 0.25 0.49 0.00 1.04 -0.85 -4.89 113.70 106.56 3i56 s SER 134 Ca 0.22 -1.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.14 3i56 s SER 134 Cb -0.03 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 3i56 s SER 134 CO 0.08 -0.98 1.19 0.00 0.98 0.00 0.00 173.24 174.52 3i56 s ALA 135 N -3.98 2.90 -0.43 5.32 0.00 -1.26 -0.53 121.76 123.78 3i56 s ALA 135 Ca 0.34 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.35 3i56 s ALA 135 Cb 0.04 -3.41 0.28 0.00 0.00 0.00 0.00 23.12 20.03 3i56 s ALA 135 CO 0.13 -0.78 0.77 1.87 0.00 0.00 0.00 175.76 177.75 3i56 n TRP 136 N -0.70 -1.53 -2.56 0.00 -0.00 -0.85 -4.59 117.44 107.21 3i56 n TRP 136 Ca 0.08 -2.86 -0.27 0.00 -0.00 0.00 0.00 57.50 54.45 3i56 n TRP 136 Cb 0.48 0.52 0.00 0.00 -0.00 0.00 0.00 31.31 32.32 3i56 n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3i56 s ASN 137 N -1.61 6.16 -0.14 5.87 0.01 -1.26 -3.35 114.94 120.62 3i56 s ASN 137 Ca 0.33 0.92 0.02 0.00 -0.71 0.00 0.00 52.86 53.42 3i56 s ASN 137 Cb 0.25 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.74 3i56 s ASN 137 CO -0.13 -0.67 -0.20 -0.44 -1.51 0.00 0.00 177.10 174.15 3i56 s SER 138 N -4.14 3.24 0.44 -1.22 0.01 -0.67 -4.94 113.70 106.42 3i56 s SER 138 Ca 0.49 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 56.94 3i56 s SER 138 Cb -0.10 -1.47 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 3i56 s SER 138 CO 0.45 0.08 1.17 -2.84 0.41 0.00 0.00 173.24 172.52 3i56 s PRO 139 N 0.81 3.85 -0.22 12.44 0.02 -1.26 -0.34 135.00 150.30 3i56 s PRO 139 Ca -0.07 1.80 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 3i56 s PRO 139 Cb -0.15 -2.50 0.02 0.00 0.02 0.00 0.00 34.50 31.89 3i56 s PRO 139 CO -0.01 -0.48 -0.12 -0.65 -0.33 0.00 0.00 177.00 175.40 3i56 s GLN 140 N -2.57 2.87 0.06 5.54 -0.21 0.79 -3.37 119.66 122.77 3i56 s GLN 140 Ca 0.61 -0.93 0.05 0.00 0.02 0.00 0.00 55.36 55.11 3i56 s GLN 140 Cb -0.29 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 3i56 s GLN 140 CO 0.36 -0.32 -0.07 0.08 -2.12 0.00 0.00 175.29 173.22 3i56 s VAL 141 N 1.29 3.60 0.04 1.09 1.01 0.64 -0.99 120.40 127.08 3i56 s VAL 141 Ca 0.01 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3i56 s VAL 141 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3i56 s VAL 141 CO -0.08 0.23 -0.20 -1.81 0.00 0.00 0.00 175.10 173.24 3i56 s ASP 142 N -1.89 2.38 -0.10 3.32 1.11 -0.70 -0.23 116.67 120.55 3i56 s ASP 142 Ca 0.20 -0.52 -0.04 0.00 0.18 0.00 0.00 52.55 52.38 3i56 s ASP 142 Cb -0.11 -0.19 0.05 0.00 1.07 0.00 0.00 42.92 43.74 3i56 s ASP 142 CO 0.12 0.14 0.21 0.54 1.18 0.00 0.00 175.17 177.36 3i56 s VAL 143 N -0.81 -0.24 0.17 -1.27 0.11 -1.08 -0.73 120.40 116.56 3i56 s VAL 143 Ca 0.07 0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 3i56 s VAL 143 Cb -0.09 -0.35 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 3i56 s VAL 143 CO 0.02 0.11 0.52 -1.83 -3.33 0.00 0.00 175.10 170.59 3i56 s GLU 144 N 1.95 3.87 -0.09 1.54 -1.05 -0.90 -2.24 118.70 121.79 3i56 s GLU 144 Ca -0.02 0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 55.11 3i56 s GLU 144 Cb -0.12 -2.83 0.04 0.00 -0.44 0.00 0.00 34.13 30.79 3i56 s GLU 144 CO -0.07 0.43 0.20 -1.17 0.95 0.00 0.00 175.26 175.60 3i56 s LEU 145 N -2.30 0.49 -0.14 1.83 2.96 -0.41 -2.33 118.68 118.78 3i56 s LEU 145 Ca 0.41 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3i56 s LEU 145 Cb -0.13 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.14 3i56 s LEU 145 CO 0.20 -0.16 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.29 3i56 s ILE 146 N 1.31 1.56 0.13 6.68 1.01 0.21 -1.48 121.20 130.62 3i56 s ILE 146 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3i56 s ILE 146 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3i56 s ILE 146 CO -0.07 0.46 0.29 -0.76 0.00 0.00 0.00 174.94 174.85 3i56 s LEU 147 N 1.39 4.32 -0.02 2.97 1.43 0.11 -1.44 118.68 127.44 3i56 s LEU 147 Ca 0.03 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3i56 s LEU 147 Cb -0.13 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.08 3i56 s LEU 147 CO -0.09 0.08 0.24 -0.70 0.23 0.00 0.00 176.35 176.11 3i56 s GLU 148 N -2.92 0.54 0.29 1.70 2.12 0.61 -1.85 118.70 119.20 3i56 s GLU 148 Ca 0.36 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3i56 s GLU 148 Cb -0.12 0.24 -0.10 0.00 0.26 0.00 0.00 34.13 34.41 3i56 s GLU 148 CO 0.28 -0.13 1.25 -1.21 -0.54 0.00 0.00 175.26 174.90 3i56 s GLU 149 N -1.10 4.44 0.00 4.30 2.02 -1.04 -1.00 118.70 126.33 3i56 s GLU 149 Ca -0.12 2.07 0.27 0.00 0.02 0.00 0.00 54.97 57.21 3i56 s GLU 149 Cb -0.06 -3.13 1.61 0.00 0.10 0.00 0.00 34.13 32.66 3i56 s GLU 149 CO 0.03 -0.09 1.96 -2.30 0.02 0.00 0.00 175.26 174.88