#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s ILE 2 N 0.00 2.06 0.11 -0.61 -4.36 -1.26 -5.12 121.20 112.03 1m90 s ILE 2 Ca 0.00 -0.11 0.03 0.00 -0.26 0.00 0.00 60.65 60.31 1m90 s ILE 2 Cb 0.00 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1m90 s ILE 2 CO 0.00 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.66 1m90 s SER 3 N -4.73 1.40 0.05 4.36 0.01 -1.26 -5.09 113.70 108.43 1m90 s SER 3 Ca 0.68 -0.98 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1m90 s SER 3 Cb -0.07 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 1m90 s SER 3 CO 0.50 -0.39 1.81 -0.31 0.41 0.00 0.00 173.24 175.25 1m90 s TYR 4 N -3.37 1.85 -1.59 2.43 1.51 -1.26 -4.84 117.35 112.08 1m90 s TYR 4 Ca 0.13 -0.07 0.30 0.00 -1.01 0.00 0.00 57.07 56.41 1m90 s TYR 4 Cb 0.03 -4.11 1.38 0.00 -0.11 0.00 0.00 41.96 39.15 1m90 s TYR 4 CO -0.02 -4.73 1.96 -1.13 -1.11 0.00 0.00 175.55 170.51 1m90 n SER 5 N 6.64 0.27 -4.28 2.29 3.41 -1.26 -4.80 113.62 115.89 1m90 n SER 5 Ca 0.18 -0.45 -0.26 0.00 -0.26 0.00 0.00 58.87 58.08 1m90 n SER 5 Cb 0.41 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 1m90 n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1m90 s VAL 6 N -2.48 1.78 0.35 -3.33 1.01 -1.26 -5.12 120.40 111.35 1m90 s VAL 6 Ca 0.30 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1m90 s VAL 6 Cb 0.20 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 1m90 s VAL 6 CO 0.46 0.18 1.01 -1.61 0.00 0.00 0.00 175.10 175.14 1m90 s GLU 7 N -1.36 4.39 -0.03 2.72 2.02 -1.26 -5.06 118.70 120.12 1m90 s GLU 7 Ca 0.08 1.47 -0.00 0.00 0.02 0.00 0.00 54.97 56.54 1m90 s GLU 7 Cb -0.09 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.45 1m90 s GLU 7 CO 0.02 0.07 0.03 0.00 0.02 0.00 0.00 175.26 175.40 1m90 s ALA 8 N -1.58 0.20 -0.41 5.21 0.00 -1.26 -5.11 121.76 118.81 1m90 s ALA 8 Ca 0.53 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 1m90 s ALA 8 Cb -0.22 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1m90 s ALA 8 CO 0.28 -0.20 1.50 0.34 0.00 0.00 0.00 175.76 177.67 1m90 s ASP 9 N 1.35 6.21 0.48 0.00 -1.08 -1.26 -4.90 116.67 117.47 1m90 s ASP 9 Ca -0.05 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 53.13 1m90 s ASP 9 Cb -0.13 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.14 1m90 s ASP 9 CO -0.03 -1.53 1.79 1.55 0.52 0.00 0.00 175.17 177.47 1m90 h PRO 10 N 11.27 0.17 0.00 4.34 0.13 -2.00 -1.35 132.00 144.56 1m90 h PRO 10 Ca -0.29 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1m90 h PRO 10 Cb 1.12 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1m90 h PRO 10 CO 1.08 0.11 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.33 1m90 h ASP 11 N 0.17 0.00 0.00 1.44 3.32 -2.04 -3.25 116.42 116.06 1m90 h ASP 11 Ca 0.58 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.55 1m90 h ASP 11 Cb 1.90 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 41.29 1m90 h ASP 11 CO -0.15 0.19 -0.68 0.35 -1.72 0.00 0.00 179.24 177.24 1m90 n THR 12 N -3.38 0.85 -3.92 0.35 -2.24 -0.61 -5.06 114.28 100.26 1m90 n THR 12 Ca -0.00 -1.61 -0.10 0.00 -2.27 0.00 0.00 64.05 60.06 1m90 n THR 12 Cb 0.40 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 1m90 n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1m90 s THR 13 N -1.25 0.07 -0.01 4.28 2.01 -0.61 -2.58 115.64 117.54 1m90 s THR 13 Ca 0.29 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1m90 s THR 13 Cb 0.30 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.55 1m90 s THR 13 CO -0.09 -0.33 -0.15 0.00 -0.69 0.00 0.00 174.62 173.36 1m90 s ALA 14 N -1.04 1.23 0.35 7.40 0.00 -0.81 -4.75 121.76 124.14 1m90 s ALA 14 Ca -0.11 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1m90 s ALA 14 Cb -0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 1m90 s ALA 14 CO -0.00 0.30 -0.09 0.15 0.00 0.00 0.00 175.76 176.11 1m90 s LYS 15 N -0.31 1.83 -0.13 0.00 1.02 -1.26 -0.10 119.74 120.78 1m90 s LYS 15 Ca 0.05 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 53.80 1m90 s LYS 15 Cb -0.06 -1.71 0.12 0.00 -0.52 0.00 0.00 37.83 35.66 1m90 s LYS 15 CO -0.00 0.14 0.98 0.00 -0.92 0.00 0.00 175.35 175.54 1m90 s ALA 16 N -2.61 -1.92 0.06 5.17 0.00 -0.62 -4.61 121.76 117.23 1m90 s ALA 16 Ca 0.33 1.49 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 1m90 s ALA 16 Cb 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1m90 s ALA 16 CO 0.17 -0.38 0.24 -1.64 0.00 0.00 0.00 175.76 174.14 1m90 s MET 17 N -1.49 0.78 -0.02 0.00 -1.94 -1.26 -1.44 119.30 113.93 1m90 s MET 17 Ca -0.00 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1m90 s MET 17 Cb -0.01 0.33 -0.03 0.00 2.01 0.00 0.00 34.83 37.14 1m90 s MET 17 CO -0.00 -0.24 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.07 1m90 s LEU 18 N -2.30 2.53 -0.10 -0.03 1.43 -0.66 -4.96 118.68 114.59 1m90 s LEU 18 Ca -0.02 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1m90 s LEU 18 Cb 0.01 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1m90 s LEU 18 CO -0.06 0.32 -0.21 -0.13 0.23 0.00 0.00 176.35 176.50 1m90 s ARG 19 N -0.84 2.75 -1.58 1.70 1.81 -1.26 -2.31 118.95 119.22 1m90 s ARG 19 Ca 0.12 -0.77 -0.07 0.00 -1.72 0.00 0.00 55.73 53.28 1m90 s ARG 19 Cb -0.10 -2.12 0.07 0.00 -0.45 0.00 0.00 34.95 32.34 1m90 s ARG 19 CO 0.01 0.12 0.40 0.39 -0.68 0.00 0.00 175.30 175.54 1m90 n GLU 20 N 3.67 -2.23 -2.42 3.54 1.02 -0.85 -4.90 120.64 118.48 1m90 n GLU 20 Ca -0.20 0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1m90 n GLU 20 Cb 0.53 -4.39 -0.04 0.00 -0.02 0.00 0.00 31.44 27.52 1m90 n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1m90 s ARG 21 N -6.98 4.52 -0.90 3.49 1.81 0.25 -4.51 118.95 116.63 1m90 s ARG 21 Ca 0.27 1.83 -0.18 0.00 -1.72 0.00 0.00 55.73 55.93 1m90 s ARG 21 Cb -0.15 -3.26 0.14 0.00 -0.45 0.00 0.00 34.95 31.24 1m90 s ARG 21 CO 0.95 -0.05 1.06 -0.65 -0.68 0.00 0.00 175.30 175.93 1m90 s GLN 22 N -0.22 3.58 0.25 3.54 -0.21 -1.26 0.48 119.66 125.82 1m90 s GLN 22 Ca 0.52 -1.85 -0.19 0.00 0.02 0.00 0.00 55.36 53.86 1m90 s GLN 22 Cb -0.32 -4.81 0.02 0.00 1.00 0.00 0.00 33.01 28.90 1m90 s GLN 22 CO 0.36 -1.69 0.63 0.00 -2.12 0.00 0.00 175.29 172.47 1m90 s MET 23 N 2.29 1.65 0.06 2.91 0.23 -1.22 -5.01 119.30 120.21 1m90 s MET 23 Ca 0.30 -1.01 -0.30 0.00 -1.03 0.00 0.00 55.69 53.64 1m90 s MET 23 Cb -0.06 0.56 -0.09 0.00 -1.53 0.00 0.00 34.83 33.71 1m90 s MET 23 CO -0.09 -0.73 1.91 0.45 -2.03 0.00 0.00 175.02 174.53 1m90 s SER 24 N -2.93 6.45 0.23 -1.18 0.15 -1.26 -4.54 113.70 110.62 1m90 s SER 24 Ca 0.13 2.68 0.07 0.00 0.70 0.00 0.00 55.95 59.54 1m90 s SER 24 Cb -0.04 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 61.95 1m90 s SER 24 CO 0.05 -1.03 1.53 0.15 1.20 0.00 0.00 173.24 175.14 1m90 h PHE 25 N 9.92 0.12 -0.23 3.44 3.57 -1.95 -2.45 116.94 129.36 1m90 h PHE 25 Ca -0.48 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 60.81 1m90 h PHE 25 Cb 1.23 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1m90 h PHE 25 CO 0.90 0.75 -0.48 0.87 -2.23 0.00 0.00 178.31 178.12 1m90 h LYS 26 N 0.06 0.62 -0.03 1.11 1.57 -2.01 -2.24 116.57 115.65 1m90 h LYS 26 Ca -0.01 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 1m90 h LYS 26 Cb 1.23 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1m90 h LYS 26 CO 0.10 0.97 -0.46 0.45 -0.57 0.00 0.00 179.45 179.93 1m90 h HIS 27 N 0.50 0.09 -0.29 -1.35 3.86 -1.92 -3.01 115.15 113.03 1m90 h HIS 27 Ca 0.03 -0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1m90 h HIS 27 Cb 1.02 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 1m90 h HIS 27 CO 0.05 0.53 -0.47 0.77 0.86 0.00 0.00 177.93 179.66 1m90 h SER 28 N 0.06 0.92 -0.73 2.45 0.02 -1.04 -1.97 113.55 113.26 1m90 h SER 28 Ca 0.00 -0.52 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1m90 h SER 28 Cb 0.85 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1m90 h SER 28 CO 0.06 1.26 0.46 0.11 -1.14 0.00 0.00 176.83 177.58 1m90 h LYS 29 N 0.61 0.87 -0.28 3.45 1.57 -1.35 -0.14 116.57 121.29 1m90 h LYS 29 Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1m90 h LYS 29 Cb 1.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1m90 h LYS 29 CO 0.11 0.57 0.17 0.00 -0.57 0.00 0.00 179.45 179.73 1m90 h ALA 30 N 1.31 0.36 0.10 3.86 0.00 -1.42 0.03 119.26 123.50 1m90 h ALA 30 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1m90 h ALA 30 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1m90 h ALA 30 CO -0.11 -0.14 -0.05 0.82 0.00 0.00 0.00 179.25 179.77 1m90 h ILE 31 N 0.36 1.07 -0.12 0.00 2.04 -1.08 -1.84 117.51 117.94 1m90 h ILE 31 Ca 0.10 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1m90 h ILE 31 Cb 0.01 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1m90 h ILE 31 CO -0.02 0.16 -0.24 0.00 0.00 0.00 0.00 178.15 178.06 1m90 h ALA 32 N 0.39 -0.22 -0.71 1.87 0.00 -0.99 -0.20 119.26 119.41 1m90 h ALA 32 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1m90 h ALA 32 Cb 0.38 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1m90 h ALA 32 CO 0.02 -0.70 0.20 -0.09 0.00 0.00 0.00 179.25 178.68 1m90 h ARG 33 N -0.31 0.30 -0.30 0.00 2.43 -0.95 -1.84 114.38 113.72 1m90 h ARG 33 Ca 0.10 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 1m90 h ARG 33 Cb 0.45 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1m90 h ARG 33 CO -0.30 0.20 -0.46 1.49 -1.51 0.00 0.00 179.97 179.39 1m90 h GLU 34 N 0.31 0.79 -0.00 0.20 4.57 -0.33 -3.29 114.58 116.83 1m90 h GLU 34 Ca 0.39 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1m90 h GLU 34 Cb 0.64 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1m90 h GLU 34 CO -0.46 1.08 -0.42 0.44 -1.18 0.00 0.00 179.01 178.47 1m90 n ILE 35 N -4.02 0.00 -1.86 2.32 -5.35 -0.21 -4.87 119.36 105.37 1m90 n ILE 35 Ca -0.03 -0.05 -0.41 0.00 -0.27 0.00 0.00 62.75 61.99 1m90 n ILE 35 Cb 0.58 0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 1m90 n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1m90 s LYS 36 N -2.81 4.16 0.00 6.28 2.20 -0.73 -1.70 119.74 127.14 1m90 s LYS 36 Ca 0.16 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1m90 s LYS 36 Cb 0.18 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1m90 s LYS 36 CO 0.64 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1m90 n GLY 37 N 0.86 2.69 3.91 5.54 0.00 -0.70 -5.02 105.19 112.47 1m90 n GLY 37 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1m90 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m90 s LYS 38 N -0.61 1.76 0.18 1.61 1.02 -0.69 -4.64 119.74 118.36 1m90 s LYS 38 Ca 0.00 -0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.78 1m90 s LYS 38 Cb 0.00 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 1m90 s LYS 38 CO 0.00 -1.71 0.68 0.99 -0.92 0.00 0.00 175.35 174.39 1m90 s THR 39 N -3.61 4.61 0.27 2.17 2.01 -1.26 -0.80 115.64 119.03 1m90 s THR 39 Ca 0.64 1.27 -0.00 0.00 0.31 0.00 0.00 61.69 63.91 1m90 s THR 39 Cb -0.10 -3.89 0.28 0.00 0.01 0.00 0.00 72.50 68.80 1m90 s THR 39 CO 0.49 0.32 1.67 0.00 -0.69 0.00 0.00 174.62 176.42 1m90 h ALA 40 N 3.78 1.19 -0.23 7.40 0.00 -0.88 0.34 119.26 130.86 1m90 h ALA 40 Ca -0.48 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1m90 h ALA 40 Cb 1.20 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1m90 h ALA 40 CO 0.65 -0.38 -0.34 0.78 0.00 0.00 0.00 179.25 179.96 1m90 h GLY 41 N 0.29 0.53 0.94 0.00 0.00 -1.54 -1.86 103.07 101.44 1m90 h GLY 41 Ca 0.50 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1m90 h GLY 41 CO -0.57 0.44 -0.07 0.83 0.00 0.00 0.00 176.54 177.17 1m90 h GLU 42 N 0.42 0.69 -0.29 4.80 5.08 -0.99 -2.36 114.58 121.92 1m90 h GLU 42 Ca 0.05 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1m90 h GLU 42 Cb 0.79 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1m90 h GLU 42 CO 0.06 0.84 0.05 0.00 -1.00 0.00 0.00 179.01 178.96 1m90 h ALA 43 N 0.83 0.30 0.03 3.43 0.00 -0.27 0.06 119.26 123.64 1m90 h ALA 43 Ca 0.09 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1m90 h ALA 43 Cb 0.57 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1m90 h ALA 43 CO 0.03 -0.36 -0.09 0.28 0.00 0.00 0.00 179.25 179.11 1m90 h VAL 44 N 0.15 0.78 -0.82 0.00 2.07 -1.24 0.20 116.25 117.38 1m90 h VAL 44 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1m90 h VAL 44 Cb 0.15 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1m90 h VAL 44 CO -0.19 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.34 1m90 h ASP 45 N -0.17 0.76 0.68 0.57 3.32 -1.09 -1.67 116.42 118.81 1m90 h ASP 45 Ca 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1m90 h ASP 45 Cb 0.20 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1m90 h ASP 45 CO -0.07 0.48 -0.37 0.22 -1.72 0.00 0.00 179.24 177.78 1m90 h TYR 46 N 0.89 -0.97 -0.46 4.55 3.20 -0.54 -2.51 116.97 121.13 1m90 h TYR 46 Ca 0.37 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.34 1m90 h TYR 46 Cb 0.22 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1m90 h TYR 46 CO -0.04 -0.58 0.32 -0.07 -1.64 0.00 0.00 178.16 176.15 1m90 h LEU 47 N -0.97 0.11 -0.47 2.82 3.38 -0.61 0.73 115.31 120.30 1m90 h LEU 47 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1m90 h LEU 47 Cb 0.77 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1m90 h LEU 47 CO 0.12 0.06 -0.54 -0.33 0.09 0.00 0.00 178.44 177.84 1m90 h GLU 48 N 0.12 0.00 0.00 1.13 5.08 -1.12 -1.18 114.58 118.61 1m90 h GLU 48 Ca 0.22 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1m90 h GLU 48 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1m90 h GLU 48 CO -0.03 0.54 -0.72 0.00 -1.00 0.00 0.00 179.01 177.81 1m90 h ALA 49 N 1.46 0.72 0.02 3.43 0.00 -0.46 0.18 119.26 124.60 1m90 h ALA 49 Ca -0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1m90 h ALA 49 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1m90 h ALA 49 CO 0.07 0.90 -0.01 0.28 0.00 0.00 0.00 179.25 180.49 1m90 h VAL 50 N 0.00 1.40 -0.88 0.00 2.07 -1.01 0.30 116.25 118.13 1m90 h VAL 50 Ca -0.01 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.28 1m90 h VAL 50 Cb 1.35 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 33.33 1m90 h VAL 50 CO 0.09 0.33 0.57 0.40 0.02 0.00 0.00 177.57 178.99 1m90 h ILE 51 N -0.59 1.03 0.00 4.57 2.04 -1.15 -0.09 117.51 123.33 1m90 h ILE 51 Ca -0.00 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1m90 h ILE 51 Cb 0.56 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1m90 h ILE 51 CO 0.00 0.17 -0.32 -0.08 0.00 0.00 0.00 178.15 177.93 1m90 h GLU 52 N 0.96 0.00 0.00 2.37 4.57 -0.86 -3.48 114.58 118.14 1m90 h GLU 52 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1m90 h GLU 52 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1m90 h GLU 52 CO -0.15 0.32 0.00 0.41 -1.18 0.00 0.00 179.01 178.41 1m90 n GLY 53 N 0.35 0.84 0.01 1.92 0.00 -0.03 -4.96 105.19 103.32 1m90 n GLY 53 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1m90 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m90 n ASP 54 N 0.26 0.67 -3.83 1.61 8.00 0.87 -4.88 116.55 119.24 1m90 n ASP 54 Ca 0.00 -0.57 -0.25 0.00 0.71 0.00 0.00 54.79 54.68 1m90 n ASP 54 Cb 0.00 1.15 -0.17 0.00 -0.02 0.00 0.00 41.12 42.08 1m90 n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1m90 s GLN 55 N -3.16 1.05 0.35 -1.24 2.00 -0.78 -4.97 119.66 112.92 1m90 s GLN 55 Ca 0.04 -0.10 -0.15 0.00 -2.00 0.00 0.00 55.36 53.14 1m90 s GLN 55 Cb 0.15 -1.34 -0.09 0.00 0.80 0.00 0.00 33.01 32.54 1m90 s GLN 55 CO 0.86 -0.31 0.76 -1.25 -0.50 0.00 0.00 175.29 174.85 1m90 s PRO 56 N 1.84 4.00 -0.28 1.67 0.04 -1.26 -3.88 135.00 137.12 1m90 s PRO 56 Ca 0.05 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 1m90 s PRO 56 Cb -0.13 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1m90 s PRO 56 CO -0.07 0.11 0.18 0.08 0.04 0.00 0.00 177.00 177.34 1m90 s VAL 57 N -2.06 5.20 0.22 -0.36 1.01 0.80 -4.89 120.40 120.32 1m90 s VAL 57 Ca 0.55 0.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 1m90 s VAL 57 Cb -0.10 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1m90 s VAL 57 CO 0.19 0.25 1.62 -2.84 0.00 0.00 0.00 175.10 174.31 1m90 s PRO 58 N 1.74 4.16 -0.53 2.72 0.02 -1.26 -1.54 135.00 140.32 1m90 s PRO 58 Ca 0.07 2.50 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 1m90 s PRO 58 Cb -0.16 -3.09 0.14 0.00 0.02 0.00 0.00 34.50 31.41 1m90 s PRO 58 CO 0.10 -0.64 0.38 -0.06 -0.33 0.00 0.00 177.00 176.45 1m90 s PHE 59 N 0.73 3.49 -0.10 6.54 2.99 -0.07 -4.84 117.98 126.71 1m90 s PHE 59 Ca 0.69 -2.24 0.16 0.00 0.00 0.00 0.00 56.93 55.54 1m90 s PHE 59 Cb -0.47 -3.39 -0.19 0.00 0.00 0.00 0.00 43.02 38.97 1m90 s PHE 59 CO 0.37 -0.95 0.63 1.63 -0.00 0.00 0.00 175.22 176.91 1m90 n LYS 60 N 4.37 0.64 -0.10 0.44 5.02 -1.26 -4.43 118.16 122.83 1m90 n LYS 60 Ca -0.00 0.19 -0.20 0.00 -2.02 0.00 0.00 58.31 56.28 1m90 n LYS 60 Cb 0.41 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1m90 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1m90 n GLN 61 N -2.88 0.45 -2.96 1.97 7.27 -1.26 -4.73 117.38 115.24 1m90 n GLN 61 Ca -0.15 0.17 -0.43 0.00 0.07 0.00 0.00 57.00 56.66 1m90 n GLN 61 Cb 0.94 -1.27 0.01 0.00 2.41 0.00 0.00 30.24 32.33 1m90 n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1m90 n HIS 62 N -3.69 2.26 -0.19 3.69 8.25 -1.26 -4.73 115.22 119.55 1m90 n HIS 62 Ca -0.39 -2.57 0.03 0.00 -0.26 0.00 0.00 57.72 54.53 1m90 n HIS 62 Cb 0.81 -1.28 0.09 0.00 1.12 0.00 0.00 29.99 30.72 1m90 n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1m90 n ASN 63 N 1.39 2.52 -4.68 0.41 6.94 -1.26 -4.95 115.26 115.63 1m90 n ASN 63 Ca 0.27 -2.11 -0.43 0.00 -0.02 0.00 0.00 54.58 52.29 1m90 n ASN 63 Cb 0.33 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 1m90 n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1m90 n SER 64 N -0.12 4.01 0.00 0.53 3.41 -1.26 -1.10 113.62 119.10 1m90 n SER 64 Ca 0.07 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1m90 n SER 64 Cb 0.38 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 1m90 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m90 n GLY 65 N 4.36 2.85 3.74 5.00 0.00 -1.26 -5.00 105.19 114.89 1m90 n GLY 65 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1m90 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m90 s VAL 66 N -2.98 3.13 0.29 1.61 1.01 -0.25 -4.99 120.40 118.22 1m90 s VAL 66 Ca 0.00 0.94 -0.28 0.00 0.00 0.00 0.00 61.98 62.64 1m90 s VAL 66 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1m90 s VAL 66 CO 0.00 0.14 0.94 -0.83 0.00 0.00 0.00 175.10 175.36 1m90 s GLY 67 N 0.31 2.93 0.74 4.51 0.00 -1.26 -4.82 107.32 109.73 1m90 s GLY 67 Ca 0.57 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.70 1m90 s GLY 67 CO 0.39 1.06 1.21 0.30 0.00 0.00 0.00 173.10 176.06 1m90 s HIS 68 N -1.44 2.01 -0.06 1.90 0.09 -1.26 -3.59 115.29 112.94 1m90 s HIS 68 Ca 0.46 1.61 0.02 0.00 -0.00 0.00 0.00 55.06 57.15 1m90 s HIS 68 Cb -0.22 -3.48 0.02 0.00 -0.00 0.00 0.00 32.58 28.90 1m90 s HIS 68 CO 0.27 -2.66 -0.10 0.15 -0.00 0.00 0.00 174.74 172.40 1m90 s LYS 69 N -3.94 1.41 0.28 1.40 -0.14 0.55 -4.86 119.74 114.43 1m90 s LYS 69 Ca 0.74 -0.31 -0.03 0.00 -1.36 0.00 0.00 55.97 55.02 1m90 s LYS 69 Cb -0.29 -1.22 0.38 0.00 -1.68 0.00 0.00 37.83 35.01 1m90 s LYS 69 CO 0.46 -0.02 1.91 0.66 -0.76 0.00 0.00 175.35 177.60 1m90 h SER 70 N 7.07 0.95 0.63 2.83 4.64 -1.96 -2.53 113.55 125.18 1m90 h SER 70 Ca -0.33 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1m90 h SER 70 Cb 1.17 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1m90 h SER 70 CO 0.47 0.76 0.00 0.29 -0.87 0.00 0.00 176.83 177.48 1m90 n LYS 71 N -4.36 0.20 -2.29 4.77 5.02 -1.26 -4.67 118.16 115.56 1m90 n LYS 71 Ca 0.08 0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 56.42 1m90 n LYS 71 Cb 0.09 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 1m90 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1m90 s VAL 72 N -3.38 3.88 -0.18 -0.18 1.01 -0.95 -4.97 120.40 115.62 1m90 s VAL 72 Ca 0.03 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.18 1m90 s VAL 72 Cb 0.09 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1m90 s VAL 72 CO 0.37 -0.00 0.06 -0.62 0.00 0.00 0.00 175.10 174.90 1m90 s ASP 73 N 1.77 5.56 0.00 3.32 2.15 -1.26 -4.29 116.67 123.91 1m90 s ASP 73 Ca 0.61 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1m90 s ASP 73 Cb -0.29 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1m90 s ASP 73 CO 0.25 0.17 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 1m90 n GLY 74 N 3.58 0.59 3.73 2.66 0.00 -1.26 -4.95 105.19 109.55 1m90 n GLY 74 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1m90 n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1m90 s TRP 75 N -2.46 0.36 0.01 1.61 -0.11 -1.26 -5.12 118.94 111.97 1m90 s TRP 75 Ca 0.00 -0.93 0.00 0.00 1.22 0.00 0.00 56.10 56.39 1m90 s TRP 75 Cb 0.00 0.63 0.00 0.00 -1.50 0.00 0.00 33.47 32.60 1m90 s TRP 75 CO 0.00 -1.49 0.00 -0.40 -4.62 0.00 0.00 176.95 170.44 1m90 n ASP 76 N -1.46 0.10 -4.74 5.86 5.68 -1.26 -4.73 116.55 116.01 1m90 n ASP 76 Ca -0.06 0.02 -0.41 0.00 -0.50 0.00 0.00 54.79 53.84 1m90 n ASP 76 Cb 0.60 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.51 1m90 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m90 s ALA 77 N -2.00 3.33 0.06 2.12 0.00 -1.26 -0.33 121.76 123.67 1m90 s ALA 77 Ca 0.00 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 1m90 s ALA 77 Cb 0.00 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.89 1m90 s ALA 77 CO 0.00 -0.11 0.75 0.20 0.00 0.00 0.00 175.76 176.60 1m90 s GLY 78 N -0.19 -0.53 0.15 0.00 0.00 -1.24 -0.89 107.32 104.62 1m90 s GLY 78 Ca 0.48 0.86 0.03 0.00 0.00 0.00 0.00 44.72 46.08 1m90 s GLY 78 CO 0.33 0.34 0.15 0.54 0.00 0.00 0.00 173.10 174.46 1m90 n ARG 79 N -0.16 0.21 -3.07 2.90 1.74 -0.59 -4.75 116.66 112.94 1m90 n ARG 79 Ca -0.13 -1.48 -0.26 0.00 -0.77 0.00 0.00 57.85 55.20 1m90 n ARG 79 Cb 0.63 1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 33.27 1m90 n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1m90 n TYR 80 N -0.29 3.41 -1.52 -1.55 4.02 -1.26 -0.14 117.16 119.83 1m90 n TYR 80 Ca 0.03 -4.00 -0.13 0.00 -0.01 0.00 0.00 57.90 53.79 1m90 n TYR 80 Cb 0.28 -0.49 -0.10 0.00 -0.02 0.00 0.00 39.34 39.00 1m90 n TYR 80 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1m90 n PRO 81 N 0.08 0.31 -0.11 -0.72 -0.02 -1.26 -4.78 135.00 128.50 1m90 n PRO 81 Ca 0.30 -0.95 -0.14 0.00 -2.02 0.00 0.00 63.50 60.69 1m90 n PRO 81 Cb 0.43 -3.26 -0.03 0.00 -0.02 0.00 0.00 33.50 30.62 1m90 n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1m90 h GLU 82 N 11.92 0.88 0.65 -0.52 4.11 -1.92 -1.90 114.58 127.81 1m90 h GLU 82 Ca 0.00 -0.49 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 1m90 h GLU 82 Cb 1.02 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1m90 h GLU 82 CO 1.08 1.13 -0.33 -0.22 0.07 0.00 0.00 179.01 180.74 1m90 h LYS 83 N 0.68 -0.86 -0.96 1.06 3.64 -1.99 0.25 116.57 118.38 1m90 h LYS 83 Ca 0.05 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1m90 h LYS 83 Cb 1.00 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1m90 h LYS 83 CO 0.10 -0.57 0.61 0.00 -2.27 0.00 0.00 179.45 177.31 1m90 h ALA 84 N -1.55 1.68 -0.90 5.00 0.00 -1.93 0.14 119.26 121.69 1m90 h ALA 84 Ca -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1m90 h ALA 84 Cb 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1m90 h ALA 84 CO 0.14 0.05 0.54 0.77 0.00 0.00 0.00 179.25 180.75 1m90 h SER 85 N 0.83 1.08 -0.61 0.00 0.02 -0.99 -0.91 113.55 112.96 1m90 h SER 85 Ca 0.50 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.29 1m90 h SER 85 Cb 0.67 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1m90 h SER 85 CO -0.26 0.83 0.04 0.11 -1.14 0.00 0.00 176.83 176.40 1m90 h LYS 86 N 1.24 1.06 -0.70 3.45 1.57 0.14 -1.58 116.57 121.75 1m90 h LYS 86 Ca 0.32 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1m90 h LYS 86 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1m90 h LYS 86 CO -0.06 1.01 0.29 0.00 -0.57 0.00 0.00 179.45 180.13 1m90 h ALA 87 N 1.00 1.20 0.00 3.86 0.00 -0.62 -1.82 119.26 122.88 1m90 h ALA 87 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1m90 h ALA 87 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1m90 h ALA 87 CO 0.02 0.59 -0.43 0.74 0.00 0.00 0.00 179.25 180.17 1m90 h PHE 88 N 1.00 0.00 -0.35 0.00 -1.00 -0.86 -1.48 116.94 114.25 1m90 h PHE 88 Ca 0.24 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.91 1m90 h PHE 88 Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1m90 h PHE 88 CO 0.01 0.43 -0.21 -0.07 -1.61 0.00 0.00 178.31 176.87 1m90 h LEU 89 N 0.00 0.67 -0.32 1.54 3.38 -0.49 0.61 115.31 120.70 1m90 h LEU 89 Ca -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1m90 h LEU 89 Cb 0.81 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1m90 h LEU 89 CO 0.06 0.87 0.09 0.44 0.09 0.00 0.00 178.44 179.99 1m90 h ASP 90 N 0.59 0.48 -0.72 -0.43 5.19 -0.87 0.22 116.42 120.88 1m90 h ASP 90 Ca 0.09 -0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1m90 h ASP 90 Cb 0.67 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 1m90 h ASP 90 CO 0.05 0.57 0.46 0.25 -3.12 0.00 0.00 179.24 177.45 1m90 h LEU 91 N 0.36 0.77 -0.44 1.55 5.85 -0.84 -0.81 115.31 121.76 1m90 h LEU 91 Ca 0.10 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 1m90 h LEU 91 Cb 0.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1m90 h LEU 91 CO -0.00 0.54 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.88 1m90 h LEU 92 N 0.92 0.48 -1.08 2.25 3.38 -0.58 -0.53 115.31 120.15 1m90 h LEU 92 Ca 0.28 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1m90 h LEU 92 Cb -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1m90 h LEU 92 CO -0.09 1.03 0.52 -0.08 0.09 0.00 0.00 178.44 179.91 1m90 h GLU 93 N 0.29 1.14 0.12 1.13 4.81 -0.05 0.16 114.58 122.18 1m90 h GLU 93 Ca -0.02 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1m90 h GLU 93 Cb 1.26 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1m90 h GLU 93 CO 0.12 0.80 -0.06 -0.97 -0.73 0.00 0.00 179.01 178.17 1m90 h ASN 94 N 1.17 -0.14 0.28 1.04 -1.24 -0.97 -2.25 115.58 113.47 1m90 h ASN 94 Ca 0.31 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1m90 h ASN 94 Cb -0.06 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 1m90 h ASN 94 CO -0.06 0.39 -0.42 0.00 -1.29 0.00 0.00 177.43 176.05 1m90 h ALA 95 N 0.01 -0.84 -0.61 1.57 0.00 -0.85 0.12 119.26 118.67 1m90 h ALA 95 Ca -0.02 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1m90 h ALA 95 Cb 0.53 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1m90 h ALA 95 CO 0.03 -1.02 0.41 0.28 0.00 0.00 0.00 179.25 178.95 1m90 h VAL 96 N -0.76 0.82 -0.21 0.00 2.07 -0.80 0.20 116.25 117.57 1m90 h VAL 96 Ca -0.01 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1m90 h VAL 96 Cb 0.72 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1m90 h VAL 96 CO -0.14 0.05 -0.34 1.23 0.02 0.00 0.00 177.57 178.39 1m90 h GLY 97 N 0.29 0.66 0.99 2.17 0.00 -0.68 -1.64 103.07 104.86 1m90 h GLY 97 Ca 0.29 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1m90 h GLY 97 CO -0.07 0.67 -0.01 3.43 0.00 0.00 0.00 176.54 180.57 1m90 h ASN 98 N 0.29 -0.02 -0.74 0.19 -0.26 0.42 -1.83 115.58 113.62 1m90 h ASN 98 Ca 0.02 -0.01 0.16 0.00 -0.56 0.00 0.00 56.30 55.90 1m90 h ASN 98 Cb 0.93 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.09 1m90 h ASN 98 CO 0.08 -0.00 0.20 0.00 -1.06 0.00 0.00 177.43 176.65 1m90 h ALA 99 N 0.95 0.97 -0.45 -0.83 0.00 -0.59 -1.63 119.26 117.69 1m90 h ALA 99 Ca -0.00 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1m90 h ALA 99 Cb 0.03 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1m90 h ALA 99 CO 0.00 -0.32 -0.26 -0.44 0.00 0.00 0.00 179.25 178.24 1m90 h ASP 100 N 0.30 0.99 0.18 0.00 3.32 -0.98 -2.08 116.42 118.15 1m90 h ASP 100 Ca 0.42 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1m90 h ASP 100 Cb 0.70 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1m90 h ASP 100 CO -0.49 1.18 0.00 1.57 -1.72 0.00 0.00 179.24 179.79 1m90 n HIS 101 N -4.10 0.00 0.45 4.55 -0.00 -0.65 -1.34 115.22 114.13 1m90 n HIS 101 Ca -0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 1m90 n HIS 101 Cb 0.48 -0.25 0.02 0.00 -0.12 0.00 0.00 29.99 30.12 1m90 n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1m90 n GLN 102 N -1.25 1.25 0.00 1.57 6.02 -0.95 -5.00 117.38 119.02 1m90 n GLN 102 Ca 0.05 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1m90 n GLN 102 Cb 0.08 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1m90 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m90 n GLY 103 N 0.74 1.80 3.77 1.08 0.00 -0.45 -5.09 105.19 107.05 1m90 n GLY 103 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1m90 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m90 s PHE 104 N -2.41 1.23 -0.67 1.61 0.40 -0.83 -4.98 117.98 112.33 1m90 s PHE 104 Ca 0.00 0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.68 1m90 s PHE 104 Cb 0.00 -3.76 0.17 0.00 0.51 0.00 0.00 43.02 39.95 1m90 s PHE 104 CO 0.00 -3.13 0.57 0.34 0.70 0.00 0.00 175.22 173.69 1m90 s ASP 105 N -4.38 6.10 0.01 1.36 2.15 -1.26 -4.28 116.67 116.38 1m90 s ASP 105 Ca 0.72 -2.46 -0.03 0.00 0.43 0.00 0.00 52.55 51.20 1m90 s ASP 105 Cb -0.07 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.45 1m90 s ASP 105 CO 0.54 -0.58 1.05 1.23 -0.17 0.00 0.00 175.17 177.24 1m90 h GLY 106 N 7.87 -2.08 -0.46 2.66 0.00 -1.85 -2.60 103.07 106.61 1m90 h GLY 106 Ca -0.04 0.92 0.33 0.00 0.00 0.00 0.00 47.33 48.55 1m90 h GLY 106 CO 0.80 -0.76 0.77 0.83 0.00 0.00 0.00 176.54 178.18 1m90 h GLU 107 N -0.03 0.22 -0.00 4.80 5.08 -1.94 0.78 114.58 123.49 1m90 h GLU 107 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1m90 h GLU 107 Cb 0.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1m90 h GLU 107 CO -0.07 0.14 -0.07 0.00 -1.00 0.00 0.00 179.01 178.01 1m90 n ALA 108 N -2.56 2.53 -1.71 3.43 0.00 -0.99 -1.48 120.51 119.72 1m90 n ALA 108 Ca 0.29 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1m90 n ALA 108 Cb 1.12 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 19.16 1m90 n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1m90 s MET 109 N -2.96 3.28 0.16 0.00 -1.94 0.27 -4.66 119.30 113.46 1m90 s MET 109 Ca 0.15 1.51 -0.13 0.00 -1.71 0.00 0.00 55.69 55.51 1m90 s MET 109 Cb 0.19 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.95 1m90 s MET 109 CO 0.55 -0.88 0.54 0.99 -0.01 0.00 0.00 175.02 176.20 1m90 s THR 110 N -1.97 4.90 -0.98 2.05 2.01 0.10 -0.79 115.64 120.96 1m90 s THR 110 Ca 0.70 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 63.20 1m90 s THR 110 Cb -0.22 -3.70 0.08 0.00 0.01 0.00 0.00 72.50 68.68 1m90 s THR 110 CO 0.30 0.17 1.31 -0.63 -0.69 0.00 0.00 174.62 175.08 1m90 s ILE 111 N -1.55 4.25 0.11 1.82 1.01 0.02 -0.32 121.20 126.54 1m90 s ILE 111 Ca 0.40 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 1m90 s ILE 111 Cb -0.14 -4.94 -0.05 0.00 0.01 0.00 0.00 42.46 37.34 1m90 s ILE 111 CO 0.19 -1.76 1.51 0.50 0.00 0.00 0.00 174.94 175.38 1m90 h LYS 112 N 9.41 0.69 -3.47 2.79 3.64 -1.35 -1.85 116.57 126.43 1m90 h LYS 112 Ca 0.18 -0.27 -0.23 0.00 -1.27 0.00 0.00 60.65 59.06 1m90 h LYS 112 Cb 1.02 -0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.51 1m90 h LYS 112 CO 1.30 0.86 -0.63 -1.58 -2.27 0.00 0.00 179.45 177.12 1m90 s HIS 113 N -4.75 -0.09 -0.24 1.91 5.04 -1.01 -4.82 115.29 111.33 1m90 s HIS 113 Ca -0.13 0.27 -0.09 0.00 -1.54 0.00 0.00 55.06 53.57 1m90 s HIS 113 Cb 0.09 -0.02 0.10 0.00 0.04 0.00 0.00 32.58 32.79 1m90 s HIS 113 CO 0.80 -0.08 0.54 0.54 -2.34 0.00 0.00 174.74 174.21 1m90 s VAL 114 N 0.41 -0.64 -0.09 0.89 0.11 -1.26 -0.14 120.40 119.68 1m90 s VAL 114 Ca -0.03 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 1m90 s VAL 114 Cb -0.04 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1m90 s VAL 114 CO -0.02 0.03 0.41 0.00 -3.33 0.00 0.00 175.10 172.20 1m90 s ALA 115 N 2.47 -1.04 0.02 1.54 0.00 -1.05 -4.76 121.76 118.94 1m90 s ALA 115 Ca -0.05 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1m90 s ALA 115 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1m90 s ALA 115 CO -0.16 -0.24 0.03 0.00 0.00 0.00 0.00 175.76 175.38 1m90 s ALA 116 N -0.53 3.38 -0.03 0.00 0.00 -1.26 -1.52 121.76 121.80 1m90 s ALA 116 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1m90 s ALA 116 Cb -0.04 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.72 1m90 s ALA 116 CO 0.03 0.67 -0.01 -1.01 0.00 0.00 0.00 175.76 175.44 1m90 s HIS 117 N -1.16 0.42 -0.41 0.00 3.76 0.22 -4.94 115.29 113.16 1m90 s HIS 117 Ca 0.22 -0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.79 1m90 s HIS 117 Cb -0.12 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.12 1m90 s HIS 117 CO 0.13 -0.15 1.15 0.21 -0.85 0.00 0.00 174.74 175.24 1m90 s LYS 118 N 1.00 3.83 0.00 1.40 2.20 -1.26 -1.34 119.74 125.56 1m90 s LYS 118 Ca -0.10 0.79 0.25 0.00 -0.36 0.00 0.00 55.97 56.55 1m90 s LYS 118 Cb -0.14 -3.87 0.54 0.00 -1.51 0.00 0.00 37.83 32.86 1m90 s LYS 118 CO -0.01 -1.24 1.44 0.28 -0.36 0.00 0.00 175.35 175.46 1m90 n VAL 119 N 6.54 0.00 -1.50 4.02 0.31 0.53 -4.99 118.33 123.24 1m90 n VAL 119 Ca 0.13 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1m90 n VAL 119 Cb 0.48 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 1m90 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m90 n GLY 120 N 1.32 -0.95 2.96 2.92 0.00 -1.20 -4.95 105.19 105.28 1m90 n GLY 120 Ca 0.14 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 1m90 n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m90 s GLU 121 N -1.85 0.55 -0.44 1.61 2.02 -1.26 0.39 118.70 119.72 1m90 s GLU 121 Ca 0.00 -0.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 1m90 s GLU 121 Cb 0.00 -0.54 0.02 0.00 0.10 0.00 0.00 34.13 33.71 1m90 s GLU 121 CO 0.00 0.10 0.90 -1.14 0.02 0.00 0.00 175.26 175.14 1m90 s GLN 122 N 0.03 3.58 0.25 1.61 0.74 0.11 -4.88 119.66 121.10 1m90 s GLN 122 Ca 0.00 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 1m90 s GLN 122 Cb -0.04 -3.90 -0.09 0.00 1.10 0.00 0.00 33.01 30.07 1m90 s GLN 122 CO -0.00 -1.15 1.21 -0.65 -0.55 0.00 0.00 175.29 174.15 1m90 s GLN 123 N 3.63 4.49 0.19 1.67 -0.21 -1.26 -1.39 119.66 126.78 1m90 s GLN 123 Ca 0.36 1.97 0.03 0.00 0.02 0.00 0.00 55.36 57.74 1m90 s GLN 123 Cb -0.11 -3.17 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 1m90 s GLN 123 CO 0.24 -0.04 -0.02 0.20 -2.12 0.00 0.00 175.29 173.55 1m90 s GLY 124 N -0.32 1.31 -0.05 3.09 0.00 -1.07 -4.92 107.32 105.36 1m90 s GLY 124 Ca 0.50 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1m90 s GLY 124 CO 0.42 -1.59 -0.02 -1.60 0.00 0.00 0.00 173.10 170.31 1m90 s ARG 125 N -3.86 0.66 -0.25 2.90 6.06 -1.26 -0.97 118.95 122.23 1m90 s ARG 125 Ca 0.24 -0.01 -0.02 0.00 -2.50 0.00 0.00 55.73 53.44 1m90 s ARG 125 Cb 0.05 -0.80 0.02 0.00 0.06 0.00 0.00 34.95 34.29 1m90 s ARG 125 CO 0.05 -0.15 -0.06 0.21 -2.50 0.00 0.00 175.30 172.85 1m90 s LYS 126 N 1.21 2.90 0.26 5.12 2.47 0.40 -4.85 119.74 127.26 1m90 s LYS 126 Ca -0.07 -0.93 -0.31 0.00 -1.56 0.00 0.00 55.97 53.10 1m90 s LYS 126 Cb -0.14 -2.99 -0.12 0.00 -1.46 0.00 0.00 37.83 33.12 1m90 s LYS 126 CO -0.02 -0.38 1.58 -2.30 0.16 0.00 0.00 175.35 174.40 1m90 n PRO 127 N 4.69 2.55 -4.75 4.03 -0.02 -1.26 -2.05 135.00 138.19 1m90 n PRO 127 Ca -0.17 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1m90 n PRO 127 Cb 0.47 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.20 1m90 n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1m90 s ARG 128 N -0.09 2.18 0.81 -0.52 1.81 0.22 -4.92 118.95 118.44 1m90 s ARG 128 Ca 0.68 -2.39 -0.11 0.00 -1.72 0.00 0.00 55.73 52.19 1m90 s ARG 128 Cb -0.54 -1.47 0.08 0.00 -0.45 0.00 0.00 34.95 32.57 1m90 s ARG 128 CO 0.45 -0.37 1.09 0.00 -0.68 0.00 0.00 175.30 175.79 1m90 s ALA 129 N -2.90 2.04 -1.19 2.13 0.00 -1.26 -3.72 121.76 116.86 1m90 s ALA 129 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1m90 s ALA 129 Cb 0.02 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1m90 s ALA 129 CO 0.04 -1.92 0.00 -1.33 0.00 0.00 0.00 175.76 172.55 1m90 n MET 130 N -3.61 -0.78 -1.42 0.00 2.81 -1.26 -3.33 117.12 109.53 1m90 n MET 130 Ca 0.08 0.89 -0.05 0.00 -1.81 0.00 0.00 57.70 56.82 1m90 n MET 130 Cb 0.54 -4.87 -0.01 0.00 -0.71 0.00 0.00 33.22 28.16 1m90 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1m90 n GLY 131 N -1.60 0.57 3.49 3.03 0.00 -1.25 -5.04 105.19 104.39 1m90 n GLY 131 Ca -0.11 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 1m90 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m90 s ARG 132 N -2.94 1.73 0.09 1.61 3.52 -1.21 -5.01 118.95 116.74 1m90 s ARG 132 Ca 0.00 -1.78 0.04 0.00 -0.13 0.00 0.00 55.73 53.85 1m90 s ARG 132 Cb 0.00 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1m90 s ARG 132 CO 0.00 0.30 -0.10 0.00 -0.81 0.00 0.00 175.30 174.68 1m90 s ALA 133 N -2.52 1.07 0.22 6.12 0.00 -1.26 0.73 121.76 126.12 1m90 s ALA 133 Ca 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1m90 s ALA 133 Cb -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1m90 s ALA 133 CO 0.16 -0.01 0.09 -1.54 0.00 0.00 0.00 175.76 174.45 1m90 s SER 134 N -2.30 0.73 0.63 0.00 1.04 -0.87 -4.91 113.70 108.02 1m90 s SER 134 Ca 0.03 -1.35 -0.19 0.00 0.48 0.00 0.00 55.95 54.93 1m90 s SER 134 Cb -0.04 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1m90 s SER 134 CO 0.00 -0.75 1.31 0.00 0.98 0.00 0.00 173.24 174.78 1m90 s ALA 135 N -3.92 2.45 -0.47 5.32 0.00 -1.26 -0.45 121.76 123.43 1m90 s ALA 135 Ca 0.35 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.62 1m90 s ALA 135 Cb 0.07 -3.56 0.22 0.00 0.00 0.00 0.00 23.12 19.86 1m90 s ALA 135 CO 0.11 -1.57 0.71 1.87 0.00 0.00 0.00 175.76 176.88 1m90 n TRP 136 N -1.77 -2.62 -3.15 0.00 -0.00 -0.14 -4.58 117.44 105.18 1m90 n TRP 136 Ca 0.15 -2.19 -0.19 0.00 -0.00 0.00 0.00 57.50 55.27 1m90 n TRP 136 Cb 0.48 1.02 0.01 0.00 -0.00 0.00 0.00 31.31 32.81 1m90 n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1m90 s ASN 137 N -0.73 5.77 -0.09 5.87 0.01 -1.26 -2.58 114.94 121.92 1m90 s ASN 137 Ca 0.32 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 1m90 s ASN 137 Cb 0.14 -1.06 0.01 0.00 0.41 0.00 0.00 41.25 40.75 1m90 s ASN 137 CO -0.17 -0.66 -0.18 -0.44 -1.51 0.00 0.00 177.10 174.14 1m90 s SER 138 N -4.27 2.54 0.47 -1.22 0.01 -0.49 -4.92 113.70 105.83 1m90 s SER 138 Ca 0.50 -0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.09 1m90 s SER 138 Cb -0.10 -1.16 -0.08 0.00 0.21 0.00 0.00 66.02 64.89 1m90 s SER 138 CO 0.34 0.09 1.10 -2.84 0.41 0.00 0.00 173.24 172.34 1m90 s PRO 139 N 0.60 3.74 -0.18 12.44 0.02 -1.26 0.05 135.00 150.41 1m90 s PRO 139 Ca -0.14 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1m90 s PRO 139 Cb -0.17 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.10 1m90 s PRO 139 CO 0.04 -0.52 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.38 1m90 s GLN 140 N -2.93 3.11 -0.02 5.54 -0.21 0.16 -3.41 119.66 121.90 1m90 s GLN 140 Ca 0.66 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 55.31 1m90 s GLN 140 Cb -0.23 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 1m90 s GLN 140 CO 0.28 -0.15 -0.19 0.08 -2.12 0.00 0.00 175.29 173.19 1m90 s VAL 141 N 1.21 2.70 0.14 1.09 1.01 0.18 -0.35 120.40 126.39 1m90 s VAL 141 Ca 0.02 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1m90 s VAL 141 Cb -0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1m90 s VAL 141 CO -0.08 0.54 -0.09 -1.81 0.00 0.00 0.00 175.10 173.66 1m90 s ASP 142 N -0.83 4.36 -0.20 3.32 1.11 -0.45 0.88 116.67 124.87 1m90 s ASP 142 Ca 0.12 -0.46 -0.15 0.00 0.18 0.00 0.00 52.55 52.23 1m90 s ASP 142 Cb -0.10 -0.80 0.06 0.00 1.07 0.00 0.00 42.92 43.14 1m90 s ASP 142 CO 0.01 0.14 0.50 0.54 1.18 0.00 0.00 175.17 177.54 1m90 s VAL 143 N -1.44 -0.01 0.18 -1.27 0.11 -0.98 -0.61 120.40 116.38 1m90 s VAL 143 Ca 0.23 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1m90 s VAL 143 Cb -0.10 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1m90 s VAL 143 CO 0.15 0.01 0.11 -1.83 -3.33 0.00 0.00 175.10 170.20 1m90 s GLU 144 N 0.79 2.77 -0.16 1.54 -1.05 -0.58 -1.65 118.70 120.36 1m90 s GLU 144 Ca -0.04 -0.96 -0.09 0.00 -0.15 0.00 0.00 54.97 53.72 1m90 s GLU 144 Cb -0.05 -2.55 0.05 0.00 -0.44 0.00 0.00 34.13 31.14 1m90 s GLU 144 CO -0.06 0.46 0.39 -1.17 0.95 0.00 0.00 175.26 175.83 1m90 s LEU 145 N -3.16 0.04 -0.20 1.83 2.96 -0.52 -2.53 118.68 117.10 1m90 s LEU 145 Ca 0.30 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1m90 s LEU 145 Cb -0.10 1.28 0.05 0.00 0.50 0.00 0.00 46.19 47.93 1m90 s LEU 145 CO 0.22 -0.18 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.39 1m90 s ILE 146 N 1.23 1.29 0.31 6.68 1.01 0.80 -1.58 121.20 130.93 1m90 s ILE 146 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1m90 s ILE 146 Cb -0.08 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.79 1m90 s ILE 146 CO -0.11 0.00 0.67 -0.76 0.00 0.00 0.00 174.94 174.74 1m90 s LEU 147 N 1.53 4.04 -0.04 2.97 1.43 0.86 -0.92 118.68 128.56 1m90 s LEU 147 Ca -0.02 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1m90 s LEU 147 Cb -0.17 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.18 1m90 s LEU 147 CO -0.07 -0.21 0.14 -0.70 0.23 0.00 0.00 176.35 175.74 1m90 s GLU 148 N -3.19 0.25 0.28 1.70 2.12 0.56 -1.93 118.70 118.49 1m90 s GLU 148 Ca 0.50 0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 1m90 s GLU 148 Cb -0.11 0.11 -0.11 0.00 0.26 0.00 0.00 34.13 34.29 1m90 s GLU 148 CO 0.23 -0.04 1.50 -1.21 -0.54 0.00 0.00 175.26 175.20 1m90 s GLU 149 N -0.32 4.20 0.00 4.30 2.02 -1.07 -0.72 118.70 127.12 1m90 s GLU 149 Ca -0.04 2.43 0.00 0.00 0.02 0.00 0.00 54.97 57.38 1m90 s GLU 149 Cb -0.03 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1m90 s GLU 149 CO 0.00 -0.51 0.33 -2.30 0.02 0.00 0.00 175.26 172.81