#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va9 s SER 2 N 0.00 -0.14 -0.13 1.61 0.01 -1.26 -5.18 113.70 108.61 1va9 s SER 2 Ca 0.00 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1va9 s SER 2 Cb 0.00 0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.45 1va9 s SER 2 CO 0.00 -0.13 0.87 -0.44 0.41 0.00 0.00 173.24 173.94 1va9 s SER 3 N -1.03 -0.50 0.00 2.44 0.01 -1.26 -5.16 113.70 108.20 1va9 s SER 3 Ca 0.05 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1va9 s SER 3 Cb -0.01 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1va9 s SER 3 CO -0.05 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1va9 n GLY 4 N 0.92 0.84 3.23 3.44 0.00 -1.26 -5.16 105.19 107.21 1va9 n GLY 4 Ca -0.14 0.59 0.04 0.00 0.00 0.00 0.00 46.02 46.51 1va9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va9 s SER 5 N 0.00 -0.61 0.26 1.61 0.15 -1.26 -5.18 113.70 108.67 1va9 s SER 5 Ca 0.00 0.53 0.03 0.00 0.70 0.00 0.00 55.95 57.20 1va9 s SER 5 Cb 0.00 1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 65.83 1va9 s SER 5 CO 0.00 -0.11 0.04 -0.44 1.20 0.00 0.00 173.24 173.93 1va9 s SER 6 N 2.76 1.67 0.00 5.45 0.01 -1.26 -5.15 113.70 117.18 1va9 s SER 6 Ca 0.01 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1va9 s SER 6 Cb -0.09 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1va9 s SER 6 CO -0.15 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1va9 n GLY 7 N -0.48 2.58 3.53 3.44 0.00 -1.26 -5.05 105.19 107.96 1va9 n GLY 7 Ca -0.03 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1va9 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1va9 n ILE 8 N 0.00 -4.52 -3.09 -0.61 5.41 -1.26 -4.97 119.36 110.32 1va9 n ILE 8 Ca 0.00 0.10 0.04 0.00 1.00 0.00 0.00 62.75 63.89 1va9 n ILE 8 Cb 0.00 -3.77 0.00 0.00 -0.71 0.00 0.00 39.64 35.16 1va9 n ILE 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1va9 s SER 9 N -2.08 -0.75 -0.29 4.38 0.01 -1.26 -5.16 113.70 108.55 1va9 s SER 9 Ca 0.24 -0.02 -0.28 0.00 1.31 0.00 0.00 55.95 57.21 1va9 s SER 9 Cb -0.03 1.35 0.19 0.00 0.21 0.00 0.00 66.02 67.74 1va9 s SER 9 CO 0.87 -0.12 1.39 0.28 0.41 0.00 0.00 173.24 176.07 1va9 s THR 10 N 2.69 0.00 -0.04 1.44 -1.32 -1.26 -5.12 115.64 112.03 1va9 s THR 10 Ca 0.21 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.65 1va9 s THR 10 Cb -0.03 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1va9 s THR 10 CO -0.21 0.00 0.07 -0.62 -2.21 0.00 0.00 174.62 171.65 1va9 n GLU 11 N 0.91 -3.85 -4.43 7.08 4.71 -1.26 -5.07 120.64 118.74 1va9 n GLU 11 Ca -0.04 2.94 -0.27 0.00 -0.01 0.00 0.00 57.16 59.78 1va9 n GLU 11 Cb 0.58 -3.90 -0.09 0.00 -1.01 0.00 0.00 31.44 27.02 1va9 n GLU 11 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1va9 s GLU 12 N -0.87 2.09 0.03 3.49 2.02 -1.26 -5.01 118.70 119.19 1va9 s GLU 12 Ca -0.08 -2.04 0.03 0.00 0.02 0.00 0.00 54.97 52.90 1va9 s GLU 12 Cb 0.01 -1.77 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 1va9 s GLU 12 CO 0.23 -0.13 -0.10 0.00 0.02 0.00 0.00 175.26 175.29 1va9 s ALA 13 N -2.69 0.77 0.82 5.21 0.00 -1.19 -4.61 121.76 120.07 1va9 s ALA 13 Ca 0.34 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1va9 s ALA 13 Cb 0.06 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.20 1va9 s ALA 13 CO 0.18 0.10 1.16 0.00 0.00 0.00 0.00 175.76 177.20 1va9 s ALA 14 N -0.91 1.86 0.50 0.00 0.00 -1.26 -4.56 121.76 117.39 1va9 s ALA 14 Ca -0.03 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 1va9 s ALA 14 Cb -0.07 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1va9 s ALA 14 CO 0.01 -2.24 1.04 -1.25 0.00 0.00 0.00 175.76 173.31 1va9 s PRO 15 N -4.39 3.75 -0.22 0.00 0.04 -1.26 -4.77 135.00 128.14 1va9 s PRO 15 Ca 0.69 1.34 0.11 0.00 0.04 0.00 0.00 61.00 63.17 1va9 s PRO 15 Cb -0.24 -2.09 0.43 0.00 0.04 0.00 0.00 34.50 32.64 1va9 s PRO 15 CO 0.52 -0.47 1.27 -3.47 0.04 0.00 0.00 177.00 174.90 1va9 n ASP 16 N -1.09 1.93 -3.59 6.66 -0.08 -1.26 -4.09 116.55 115.02 1va9 n ASP 16 Ca 0.09 -3.83 -0.10 0.00 -1.51 0.00 0.00 54.79 49.44 1va9 n ASP 16 Cb 0.53 -0.55 -0.06 0.00 2.34 0.00 0.00 41.12 43.38 1va9 n ASP 16 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1va9 s GLY 17 N -3.05 -0.22 0.98 0.27 0.00 -1.26 -4.91 107.32 99.12 1va9 s GLY 17 Ca 0.39 2.21 -0.14 0.00 0.00 0.00 0.00 44.72 47.18 1va9 s GLY 17 CO -0.05 1.22 1.17 2.56 0.00 0.00 0.00 173.10 178.00 1va9 s PRO 18 N -0.80 0.56 0.88 2.90 0.04 -1.24 -4.60 135.00 132.73 1va9 s PRO 18 Ca -0.00 0.07 -0.12 0.00 0.04 0.00 0.00 61.00 60.98 1va9 s PRO 18 Cb -0.02 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.85 1va9 s PRO 18 CO -0.01 -2.55 1.13 -1.25 0.04 0.00 0.00 177.00 174.36 1va9 s PRO 19 N -5.44 1.42 0.50 0.56 0.04 -1.26 -4.32 135.00 126.50 1va9 s PRO 19 Ca 0.67 0.39 0.06 0.00 0.04 0.00 0.00 61.00 62.16 1va9 s PRO 19 Cb -0.11 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1va9 s PRO 19 CO 0.54 -2.03 0.37 -1.64 0.04 0.00 0.00 177.00 174.28 1va9 s MET 20 N -5.25 2.31 -1.00 4.56 -1.94 0.08 -4.57 119.30 113.49 1va9 s MET 20 Ca 0.63 -1.88 -0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1va9 s MET 20 Cb -0.15 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1va9 s MET 20 CO 0.53 -0.45 0.00 -3.47 -0.01 0.00 0.00 175.02 171.63 1va9 n ASP 21 N -1.64 -3.77 -4.60 3.03 2.03 -1.26 0.19 116.55 110.53 1va9 n ASP 21 Ca -0.00 0.21 -0.43 0.00 0.52 0.00 0.00 54.79 55.09 1va9 n ASP 21 Cb 0.64 -3.21 -0.02 0.00 -0.72 0.00 0.00 41.12 37.81 1va9 n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1va9 s VAL 22 N -2.59 3.89 0.05 5.18 1.01 -1.26 -3.56 120.40 123.12 1va9 s VAL 22 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1va9 s VAL 22 Cb -0.00 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1va9 s VAL 22 CO 0.00 -0.77 0.25 0.28 0.00 0.00 0.00 175.10 174.85 1va9 s THR 23 N 5.51 0.10 0.28 3.92 -1.32 -1.03 -5.03 115.64 118.08 1va9 s THR 23 Ca 0.61 -0.83 0.09 0.00 -1.21 0.00 0.00 61.69 60.35 1va9 s THR 23 Cb -0.14 -0.98 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1va9 s THR 23 CO 0.32 -0.46 0.07 -0.76 -2.21 0.00 0.00 174.62 171.59 1va9 s LEU 24 N -2.20 3.33 -0.30 9.08 1.43 -1.26 -2.67 118.68 126.09 1va9 s LEU 24 Ca -0.03 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1va9 s LEU 24 Cb -0.00 -1.84 0.16 0.00 0.03 0.00 0.00 46.19 44.54 1va9 s LEU 24 CO -0.05 -0.09 0.84 -1.58 0.23 0.00 0.00 176.35 175.70 1va9 s GLN 25 N -3.75 0.41 -0.27 1.70 0.74 -0.71 -4.96 119.66 112.82 1va9 s GLN 25 Ca 0.33 0.95 -0.29 0.00 0.05 0.00 0.00 55.36 56.41 1va9 s GLN 25 Cb -0.06 0.57 -0.00 0.00 1.10 0.00 0.00 33.01 34.62 1va9 s GLN 25 CO 0.22 -0.21 1.33 -1.25 -0.55 0.00 0.00 175.29 174.83 1va9 s PRO 26 N 2.70 3.96 -0.18 1.67 0.04 -1.26 0.15 135.00 142.08 1va9 s PRO 26 Ca -0.00 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.50 1va9 s PRO 26 Cb -0.10 -3.88 -0.23 0.00 0.04 0.00 0.00 34.50 30.34 1va9 s PRO 26 CO -0.18 -1.07 0.13 1.33 0.04 0.00 0.00 177.00 177.26 1va9 n VAL 27 N 6.08 1.51 -3.23 -0.36 0.24 -1.22 -4.85 118.33 116.50 1va9 n VAL 27 Ca 0.15 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1va9 n VAL 27 Cb 0.46 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 1va9 n VAL 27 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1va9 n THR 28 N -3.05 0.00 0.00 3.34 -2.24 -1.21 -4.82 114.28 106.31 1va9 n THR 28 Ca -0.34 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 1va9 n THR 28 Cb 1.08 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 1va9 n THR 28 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1va9 h SER 29 N 0.00 0.26 -1.76 3.42 0.87 -1.87 -3.27 113.55 111.19 1va9 h SER 29 Ca 0.00 -0.55 -0.55 0.00 -1.23 0.00 0.00 61.79 59.46 1va9 h SER 29 Cb 0.00 -0.08 -0.42 0.00 -0.44 0.00 0.00 62.40 61.46 1va9 h SER 29 CO 0.00 1.49 -0.80 0.00 -0.53 0.00 0.00 176.83 176.99 1va9 n GLN 30 N -3.32 2.85 -3.63 2.24 6.02 -1.26 -4.44 117.38 115.85 1va9 n GLN 30 Ca -0.24 -4.37 -0.04 0.00 -0.01 0.00 0.00 57.00 52.34 1va9 n GLN 30 Cb 1.05 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 1va9 n GLN 30 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1va9 s SER 31 N -3.36 -0.10 0.02 1.08 0.01 -1.26 -1.80 113.70 108.29 1va9 s SER 31 Ca 0.45 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1va9 s SER 31 Cb 0.36 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 1va9 s SER 31 CO -0.13 -0.10 -0.00 -0.63 0.41 0.00 0.00 173.24 172.78 1va9 s ILE 32 N -1.23 0.11 -0.30 1.44 1.01 0.73 -3.29 121.20 119.66 1va9 s ILE 32 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 1va9 s ILE 32 Cb -0.01 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1va9 s ILE 32 CO -0.06 -0.48 0.25 -1.58 0.00 0.00 0.00 174.94 173.07 1va9 s GLN 33 N -1.45 3.80 -0.36 2.79 0.74 0.39 -1.12 119.66 124.45 1va9 s GLN 33 Ca -0.16 -0.36 -0.08 0.00 0.05 0.00 0.00 55.36 54.81 1va9 s GLN 33 Cb -0.10 -3.71 0.04 0.00 1.10 0.00 0.00 33.01 30.34 1va9 s GLN 33 CO -0.01 -0.30 0.17 0.08 -0.55 0.00 0.00 175.29 174.68 1va9 s VAL 34 N 1.83 4.14 -0.12 1.34 1.01 -0.72 -1.74 120.40 126.13 1va9 s VAL 34 Ca 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1va9 s VAL 34 Cb -0.16 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1va9 s VAL 34 CO 0.11 -0.25 -0.19 0.42 0.00 0.00 0.00 175.10 175.18 1va9 s THR 35 N 1.46 2.46 0.08 3.92 -4.23 -1.09 -0.82 115.64 117.42 1va9 s THR 35 Ca 0.00 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.59 1va9 s THR 35 Cb -0.20 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1va9 s THR 35 CO 0.04 0.54 0.11 -1.66 -0.54 0.00 0.00 174.62 173.11 1va9 s TRP 36 N 0.47 0.35 0.28 3.99 -2.14 -0.60 -2.47 118.94 118.82 1va9 s TRP 36 Ca -0.13 -0.82 0.09 0.00 2.66 0.00 0.00 56.10 57.90 1va9 s TRP 36 Cb -0.17 -0.21 -0.04 0.00 -3.10 0.00 0.00 33.47 29.95 1va9 s TRP 36 CO 0.05 -0.50 0.06 0.15 -2.66 0.00 0.00 176.95 174.06 1va9 s LYS 37 N -3.90 2.42 0.52 3.25 1.02 0.49 -1.38 119.74 122.15 1va9 s LYS 37 Ca 0.08 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.49 1va9 s LYS 37 Cb 0.06 -2.23 -0.11 0.00 -0.52 0.00 0.00 37.83 35.03 1va9 s LYS 37 CO -0.09 0.31 0.41 0.00 -0.92 0.00 0.00 175.35 175.06 1va9 n ALA 38 N -1.00 -1.59 -1.53 5.17 0.00 -0.72 -0.74 120.51 120.10 1va9 n ALA 38 Ca -0.06 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1va9 n ALA 38 Cb 0.59 -1.73 0.17 0.00 0.00 0.00 0.00 19.45 18.48 1va9 n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1va9 s PRO 39 N -1.74 0.41 0.08 0.00 0.04 -1.26 -3.78 135.00 128.75 1va9 s PRO 39 Ca 0.65 0.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.38 1va9 s PRO 39 Cb -0.50 -1.78 -0.17 0.00 0.04 0.00 0.00 34.50 32.09 1va9 s PRO 39 CO 0.58 -2.64 0.77 1.63 0.04 0.00 0.00 177.00 177.38 1va9 n LYS 40 N -4.02 0.00 0.22 4.56 5.02 -1.26 -4.82 118.16 117.86 1va9 n LYS 40 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 1va9 n LYS 40 Cb 0.59 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1va9 n LYS 40 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1va9 h LYS 41 N 1.98 -0.47 -0.00 1.97 1.63 -2.00 -1.20 116.57 118.47 1va9 h LYS 41 Ca -0.38 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1va9 h LYS 41 Cb 1.33 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1va9 h LYS 41 CO 0.57 -0.29 0.05 1.05 -3.45 0.00 0.00 179.45 177.38 1va9 h GLU 42 N -0.53 0.00 -1.68 1.90 4.11 -2.04 -1.20 114.58 115.15 1va9 h GLU 42 Ca -0.05 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.71 1va9 h GLU 42 Cb 0.40 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.30 1va9 h GLU 42 CO 0.08 0.00 0.08 1.28 0.07 0.00 0.00 179.01 180.52 1va9 n LEU 43 N -3.08 6.01 -0.07 3.06 4.77 -0.48 -4.52 117.00 122.68 1va9 n LEU 43 Ca -0.03 -5.01 -0.08 0.00 -0.03 0.00 0.00 56.01 50.86 1va9 n LEU 43 Cb 0.12 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 1va9 n LEU 43 CO 0.19 2.01 -0.97 0.00 -1.33 0.00 0.00 177.39 177.29 1va9 n GLN 44 N -0.53 1.53 -4.04 3.23 6.02 -0.45 -4.36 117.38 118.78 1va9 n GLN 44 Ca 0.46 0.01 -0.46 0.00 -0.01 0.00 0.00 57.00 57.00 1va9 n GLN 44 Cb 0.49 -1.36 0.02 0.00 1.02 0.00 0.00 30.24 30.41 1va9 n GLN 44 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1va9 n ASN 45 N -2.59 -4.25 0.00 1.08 3.02 -1.26 -4.54 115.26 106.71 1va9 n ASN 45 Ca -0.24 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1va9 n ASN 45 Cb 0.93 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1va9 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1va9 n GLY 46 N -2.06 -1.84 3.11 7.41 0.00 -1.26 -3.16 105.19 107.38 1va9 n GLY 46 Ca -0.11 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1va9 n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1va9 n VAL 47 N -1.10 0.00 -3.94 1.61 0.31 -1.26 -4.93 118.33 109.02 1va9 n VAL 47 Ca 0.00 -0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 63.69 1va9 n VAL 47 Cb 0.00 -0.19 -0.11 0.00 -0.91 0.00 0.00 33.84 32.62 1va9 n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1va9 s ILE 48 N -2.11 4.52 -0.00 2.52 -1.09 -1.26 -4.89 121.20 118.89 1va9 s ILE 48 Ca 0.44 -0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 58.52 1va9 s ILE 48 Cb -0.11 -3.07 -0.19 0.00 -1.58 0.00 0.00 42.46 37.52 1va9 s ILE 48 CO 0.74 0.41 1.20 0.03 -1.23 0.00 0.00 174.94 176.08 1va9 h ARG 49 N 7.39 0.28 -2.13 2.79 2.47 -1.90 -3.42 114.38 119.86 1va9 h ARG 49 Ca -0.36 -0.21 0.25 0.00 -1.26 0.00 0.00 59.98 58.39 1va9 h ARG 49 Cb 1.17 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 1va9 h ARG 49 CO 0.64 0.84 0.69 0.20 0.56 0.00 0.00 179.97 182.90 1va9 s GLY 50 N -3.67 -0.14 0.22 0.04 0.00 -1.00 -2.09 107.32 100.67 1va9 s GLY 50 Ca -0.15 0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.72 1va9 s GLY 50 CO 0.75 2.00 -0.04 -0.19 0.00 0.00 0.00 173.10 175.63 1va9 s TYR 51 N -2.43 1.59 -0.04 1.90 1.51 -1.21 -1.09 117.35 117.59 1va9 s TYR 51 Ca 0.19 -0.84 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1va9 s TYR 51 Cb 0.00 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1va9 s TYR 51 CO 0.01 0.05 -0.24 -0.65 -1.11 0.00 0.00 175.55 173.61 1va9 s GLN 52 N -3.81 2.36 -0.36 -0.62 -0.21 -0.38 -1.13 119.66 115.50 1va9 s GLN 52 Ca 0.26 -0.89 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 1va9 s GLN 52 Cb 0.05 -2.14 0.09 0.00 1.00 0.00 0.00 33.01 32.01 1va9 s GLN 52 CO 0.08 0.49 0.11 0.42 -2.12 0.00 0.00 175.29 174.27 1va9 s ILE 53 N -0.42 2.91 -0.21 1.08 1.09 -0.26 -2.05 121.20 123.35 1va9 s ILE 53 Ca 0.04 -2.00 -0.14 0.00 -1.10 0.00 0.00 60.65 57.45 1va9 s ILE 53 Cb -0.12 -2.97 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 1va9 s ILE 53 CO 0.01 -0.54 0.31 -0.83 -0.10 0.00 0.00 174.94 173.80 1va9 s GLY 54 N 1.44 2.07 -0.02 6.18 0.00 -0.57 -2.81 107.32 113.61 1va9 s GLY 54 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1va9 s GLY 54 CO -0.05 0.63 0.16 -2.52 0.00 0.00 0.00 173.10 171.32 1va9 s TYR 55 N 1.10 -0.04 0.11 1.90 1.13 -1.06 0.14 117.35 120.63 1va9 s TYR 55 Ca 0.15 0.06 -0.20 0.00 -1.41 0.00 0.00 57.07 55.66 1va9 s TYR 55 Cb -0.14 -0.01 0.05 0.00 -1.10 0.00 0.00 41.96 40.76 1va9 s TYR 55 CO 0.06 -0.25 0.50 -0.98 -2.51 0.00 0.00 175.55 172.38 1va9 s ARG 56 N -1.00 1.13 0.61 -3.49 1.70 -1.16 -1.32 118.95 115.41 1va9 s ARG 56 Ca -0.11 -0.49 -0.19 0.00 -0.47 0.00 0.00 55.73 54.47 1va9 s ARG 56 Cb -0.06 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1va9 s ARG 56 CO 0.01 -0.45 1.29 -2.00 -1.08 0.00 0.00 175.30 173.08 1va9 s GLU 57 N -3.39 2.81 -0.21 3.89 -6.30 -1.26 -3.50 118.70 110.75 1va9 s GLU 57 Ca -0.00 2.06 0.07 0.00 -2.50 0.00 0.00 54.97 54.60 1va9 s GLU 57 Cb 0.00 -1.98 0.51 0.00 0.00 0.00 0.00 34.13 32.66 1va9 s GLU 57 CO -0.09 -1.39 1.44 -1.71 0.02 0.00 0.00 175.26 173.53 1va9 n ASN 58 N -1.58 3.91 -4.40 -1.70 2.85 -1.15 -4.89 115.26 108.29 1va9 n ASN 58 Ca 0.14 -2.80 -0.36 0.00 -0.11 0.00 0.00 54.58 51.45 1va9 n ASN 58 Cb 0.48 -0.67 0.07 0.00 1.24 0.00 0.00 39.78 40.90 1va9 n ASN 58 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1va9 n SER 59 N 0.02 -1.91 -4.56 1.20 7.64 -1.26 -4.79 113.62 109.96 1va9 n SER 59 Ca 0.27 0.51 -0.36 0.00 1.01 0.00 0.00 58.87 60.30 1va9 n SER 59 Cb 1.04 -1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1va9 n SER 59 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1va9 s PRO 60 N -2.76 3.02 0.00 1.43 0.04 -1.26 -3.09 135.00 132.39 1va9 s PRO 60 Ca 0.61 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1va9 s PRO 60 Cb -0.32 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1va9 s PRO 60 CO 0.62 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1va9 n GLY 61 N 6.39 0.91 3.78 0.56 0.00 -1.26 -5.03 105.19 110.53 1va9 n GLY 61 Ca 0.27 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1va9 n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1va9 s SER 62 N -3.00 6.25 -0.64 1.61 0.15 -1.18 -5.00 113.70 111.89 1va9 s SER 62 Ca 0.00 2.11 0.06 0.00 0.70 0.00 0.00 55.95 58.82 1va9 s SER 62 Cb 0.00 -2.58 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 1va9 s SER 62 CO 0.00 -0.85 0.68 0.59 1.20 0.00 0.00 173.24 174.86 1va9 n ASN 63 N -0.72 3.43 -3.51 5.45 4.13 -1.26 -4.98 115.26 117.81 1va9 n ASN 63 Ca 0.08 -3.36 -0.29 0.00 1.68 0.00 0.00 54.58 52.69 1va9 n ASN 63 Cb 0.50 -0.69 -0.13 0.00 -1.54 0.00 0.00 39.78 37.92 1va9 n ASN 63 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1va9 s GLY 64 N -2.20 0.73 -0.26 7.41 0.00 -1.26 -5.10 107.32 106.63 1va9 s GLY 64 Ca 0.37 -1.56 -0.43 0.00 0.00 0.00 0.00 44.72 43.09 1va9 s GLY 64 CO -0.05 2.06 1.37 -1.06 0.00 0.00 0.00 173.10 175.42 1va9 n GLN 65 N 4.54 0.08 -1.54 2.90 6.02 -1.26 -4.59 117.38 123.53 1va9 n GLN 65 Ca 0.04 0.03 -0.63 0.00 -0.01 0.00 0.00 57.00 56.43 1va9 n GLN 65 Cb 0.39 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 1va9 n GLN 65 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1va9 n TYR 66 N 2.96 1.52 -1.71 1.08 4.02 -1.26 -4.72 117.16 119.05 1va9 n TYR 66 Ca 0.26 1.00 -0.40 0.00 -0.01 0.00 0.00 57.90 58.74 1va9 n TYR 66 Cb 0.01 -2.18 -0.03 0.00 -0.02 0.00 0.00 39.34 37.13 1va9 n TYR 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1va9 s SER 67 N 3.84 5.20 0.10 7.72 0.01 -0.44 -4.66 113.70 125.49 1va9 s SER 67 Ca 1.06 1.39 -0.24 0.00 1.31 0.00 0.00 55.95 59.47 1va9 s SER 67 Cb -1.45 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 62.20 1va9 s SER 67 CO 0.74 -2.24 0.73 -0.63 0.41 0.00 0.00 173.24 172.26 1va9 s ILE 68 N 9.31 4.56 -0.13 1.44 -1.09 -1.26 -2.56 121.20 131.47 1va9 s ILE 68 Ca 0.93 1.59 -0.04 0.00 -2.23 0.00 0.00 60.65 60.89 1va9 s ILE 68 Cb -0.24 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.60 1va9 s ILE 68 CO 0.31 0.47 0.09 0.68 -1.23 0.00 0.00 174.94 175.26 1va9 s VAL 69 N -0.74 -0.11 0.09 2.92 -7.23 -1.12 -4.93 120.40 109.28 1va9 s VAL 69 Ca 0.35 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.33 1va9 s VAL 69 Cb -0.22 -0.45 -0.07 0.00 0.56 0.00 0.00 36.38 36.20 1va9 s VAL 69 CO 0.24 -0.14 0.62 -0.70 -0.31 0.00 0.00 175.10 174.81 1va9 s GLU 70 N 2.16 4.30 0.30 4.82 2.12 -1.26 -1.10 118.70 130.04 1va9 s GLU 70 Ca 0.03 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.24 1va9 s GLU 70 Cb -0.15 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 1va9 s GLU 70 CO -0.07 0.60 0.14 0.00 -0.54 0.00 0.00 175.26 175.39 1va9 n MET 71 N 1.77 0.56 -3.27 4.30 0.00 -0.28 -4.99 117.12 115.20 1va9 n MET 71 Ca -0.09 -2.63 -0.34 0.00 0.00 0.00 0.00 57.70 54.65 1va9 n MET 71 Cb 0.50 1.64 -0.06 0.00 0.00 0.00 0.00 33.22 35.30 1va9 n MET 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1va9 s LYS 72 N -3.15 4.00 -0.28 3.17 1.02 -1.26 -3.29 119.74 119.95 1va9 s LYS 72 Ca 0.20 0.56 -0.09 0.00 0.02 0.00 0.00 55.97 56.66 1va9 s LYS 72 Cb 0.01 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1va9 s LYS 72 CO 0.14 0.34 0.12 0.00 -0.92 0.00 0.00 175.35 175.04 1va9 s ALA 73 N -1.69 3.27 0.06 5.17 0.00 -0.89 -4.70 121.76 122.99 1va9 s ALA 73 Ca 0.45 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 1va9 s ALA 73 Cb -0.13 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.60 1va9 s ALA 73 CO 0.20 -0.68 1.50 1.79 0.00 0.00 0.00 175.76 178.57 1va9 h THR 74 N 5.57 1.25 0.00 0.00 1.35 -1.88 -3.46 112.91 115.74 1va9 h THR 74 Ca -0.35 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1va9 h THR 74 Cb 1.16 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1va9 h THR 74 CO 0.59 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1va9 n GLY 75 N -0.30 0.59 0.00 5.82 0.00 -1.26 -4.94 105.19 105.09 1va9 n GLY 75 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1va9 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1va9 n ASP 76 N 0.00 0.00 -3.87 1.61 9.92 -1.26 -5.08 116.55 117.87 1va9 n ASP 76 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1va9 n ASP 76 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1va9 n ASP 76 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1va9 s SER 77 N 0.00 0.06 0.02 -2.24 1.04 -1.26 -1.76 113.70 109.55 1va9 s SER 77 Ca 0.00 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.03 1va9 s SER 77 Cb 0.00 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1va9 s SER 77 CO 0.00 -0.47 0.12 -1.61 0.98 0.00 0.00 173.24 172.26 1va9 s GLU 78 N -2.09 0.53 -0.09 4.02 0.41 -0.48 -4.09 118.70 116.92 1va9 s GLU 78 Ca -0.09 -0.53 -0.20 0.00 -0.41 0.00 0.00 54.97 53.73 1va9 s GLU 78 Cb -0.04 0.21 0.05 0.00 -1.78 0.00 0.00 34.13 32.57 1va9 s GLU 78 CO -0.02 -0.13 0.49 0.54 -0.49 0.00 0.00 175.26 175.65 1va9 s VAL 79 N -1.84 0.02 -0.12 2.63 0.11 -1.26 -1.56 120.40 118.38 1va9 s VAL 79 Ca -0.11 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1va9 s VAL 79 Cb -0.05 -0.76 0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1va9 s VAL 79 CO -0.01 -0.09 0.26 -0.47 -3.33 0.00 0.00 175.10 171.46 1va9 s TYR 80 N -0.73 -0.41 -0.74 1.54 6.14 -0.00 -5.01 117.35 118.15 1va9 s TYR 80 Ca -0.08 0.94 -0.21 0.00 0.64 0.00 0.00 57.07 58.36 1va9 s TYR 80 Cb -0.03 0.00 0.09 0.00 0.42 0.00 0.00 41.96 42.44 1va9 s TYR 80 CO 0.05 -0.32 0.99 0.99 0.64 0.00 0.00 175.55 177.89 1va9 s THR 81 N 2.06 4.50 -0.09 4.34 2.01 -1.26 -1.75 115.64 125.45 1va9 s THR 81 Ca -0.02 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 1va9 s THR 81 Cb -0.11 -4.70 -0.03 0.00 0.01 0.00 0.00 72.50 67.67 1va9 s THR 81 CO -0.09 -1.44 1.24 -0.76 -0.69 0.00 0.00 174.62 172.89 1va9 s LEU 82 N 3.48 4.25 0.35 4.42 1.43 -0.28 -4.88 118.68 127.46 1va9 s LEU 82 Ca 0.24 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 55.21 1va9 s LEU 82 Cb -0.14 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1va9 s LEU 82 CO 0.03 -0.66 -0.02 1.51 0.23 0.00 0.00 176.35 177.44 1va9 s ASP 83 N 1.72 3.36 0.00 2.29 1.47 -1.26 -0.19 116.67 124.05 1va9 s ASP 83 Ca 0.56 -1.29 0.00 0.00 1.18 0.00 0.00 52.55 53.00 1va9 s ASP 83 Cb -0.24 -0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.05 1va9 s ASP 83 CO 0.20 -0.39 0.00 0.59 0.68 0.00 0.00 175.17 176.24 1va9 n ASN 84 N -0.80 -1.54 -0.77 2.11 4.13 -0.75 -4.94 115.26 112.69 1va9 n ASN 84 Ca -0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1va9 n ASN 84 Cb 0.65 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1va9 n ASN 84 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1va9 n LEU 85 N -0.57 0.00 0.00 3.41 4.32 -1.19 -5.02 117.00 117.95 1va9 n LEU 85 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1va9 n LEU 85 Cb 0.39 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.21 1va9 n LEU 85 CO 0.00 -0.18 0.16 1.17 -1.22 0.00 0.00 177.39 177.31 1va9 n LYS 86 N -0.37 0.86 -3.76 3.23 4.81 -1.26 -4.82 118.16 116.84 1va9 n LYS 86 Ca 0.00 -1.66 -0.37 0.00 -0.87 0.00 0.00 58.31 55.41 1va9 n LYS 86 Cb 0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 35.03 34.87 1va9 n LYS 86 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1va9 s LYS 87 N -3.32 2.87 -0.98 1.64 1.02 -1.26 -4.23 119.74 115.47 1va9 s LYS 87 Ca 0.28 -1.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1va9 s LYS 87 Cb -0.02 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1va9 s LYS 87 CO 0.18 -0.55 0.82 0.34 -0.92 0.00 0.00 175.35 175.23 1va9 n PHE 88 N 4.84 -2.48 -3.92 3.18 7.35 -1.12 -5.03 117.46 120.28 1va9 n PHE 88 Ca -0.14 0.85 -0.09 0.00 -0.76 0.00 0.00 57.45 57.31 1va9 n PHE 88 Cb 0.46 -3.93 -0.09 0.00 0.35 0.00 0.00 39.48 36.27 1va9 n PHE 88 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1va9 s ALA 89 N -3.28 -0.08 0.29 3.13 0.00 -1.26 -4.95 121.76 115.61 1va9 s ALA 89 Ca 0.32 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1va9 s ALA 89 Cb -0.06 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.24 1va9 s ALA 89 CO 0.77 -0.35 1.06 -1.14 0.00 0.00 0.00 175.76 176.11 1va9 s GLN 90 N -2.81 4.62 -0.01 0.00 0.74 -1.26 -2.14 119.66 118.80 1va9 s GLN 90 Ca -0.03 1.70 0.00 0.00 0.05 0.00 0.00 55.36 57.08 1va9 s GLN 90 Cb 0.00 -3.11 0.02 0.00 1.10 0.00 0.00 33.01 31.01 1va9 s GLN 90 CO -0.05 0.22 0.00 0.71 -0.55 0.00 0.00 175.29 175.62 1va9 s TYR 91 N -1.24 0.13 -0.12 1.67 1.51 -1.25 -2.94 117.35 115.11 1va9 s TYR 91 Ca 0.46 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1va9 s TYR 91 Cb -0.29 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.37 1va9 s TYR 91 CO 0.37 -0.06 -0.14 0.20 -1.11 0.00 0.00 175.55 174.82 1va9 s GLY 92 N 0.55 1.03 0.33 0.71 0.00 -1.23 -1.29 107.32 107.43 1va9 s GLY 92 Ca -0.05 -0.75 0.10 0.00 0.00 0.00 0.00 44.72 44.02 1va9 s GLY 92 CO -0.01 0.40 -0.11 -1.34 0.00 0.00 0.00 173.10 172.04 1va9 s VAL 93 N 1.24 2.23 -0.04 1.40 -7.23 -1.26 -2.99 120.40 113.75 1va9 s VAL 93 Ca -0.02 -2.23 -0.02 0.00 -1.81 0.00 0.00 61.98 57.90 1va9 s VAL 93 Cb -0.14 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1va9 s VAL 93 CO -0.05 -0.24 0.07 0.68 -0.31 0.00 0.00 175.10 175.25 1va9 s VAL 94 N -2.62 -0.12 0.08 1.32 -7.23 0.36 -3.61 120.40 108.58 1va9 s VAL 94 Ca 0.32 0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 60.84 1va9 s VAL 94 Cb 0.01 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1va9 s VAL 94 CO 0.16 0.17 0.33 -0.69 -0.31 0.00 0.00 175.10 174.76 1va9 s VAL 95 N 2.08 5.22 -0.10 1.32 1.01 -1.26 -1.52 120.40 127.15 1va9 s VAL 95 Ca 0.04 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1va9 s VAL 95 Cb -0.12 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1va9 s VAL 95 CO -0.03 0.20 0.42 0.00 0.00 0.00 0.00 175.10 175.68 1va9 s GLN 96 N -2.23 0.61 -0.03 2.72 -2.07 -0.87 -1.82 119.66 115.97 1va9 s GLN 96 Ca 0.35 0.31 -0.18 0.00 -1.82 0.00 0.00 55.36 54.02 1va9 s GLN 96 Cb -0.13 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.02 1va9 s GLN 96 CO 0.21 -0.13 0.49 0.00 -1.32 0.00 0.00 175.29 174.54 1va9 s ALA 97 N -0.41 3.57 -0.01 2.60 0.00 -1.26 -1.25 121.76 124.99 1va9 s ALA 97 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1va9 s ALA 97 Cb -0.03 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1va9 s ALA 97 CO 0.03 0.24 -0.09 -0.59 0.00 0.00 0.00 175.76 175.35 1va9 s PHE 98 N -0.32 0.83 0.46 0.00 -0.12 -0.25 -1.89 117.98 116.70 1va9 s PHE 98 Ca 0.26 -0.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1va9 s PHE 98 Cb -0.17 -0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 41.64 1va9 s PHE 98 CO 0.14 -0.05 0.06 -0.80 -0.05 0.00 0.00 175.22 174.52 1va9 s ASN 99 N -0.03 3.54 0.63 1.98 0.01 0.38 -2.39 114.94 119.06 1va9 s ASN 99 Ca 0.01 -1.66 0.36 0.00 -0.71 0.00 0.00 52.86 50.86 1va9 s ASN 99 Cb -0.05 0.49 2.08 0.00 0.41 0.00 0.00 41.25 44.18 1va9 s ASN 99 CO -0.00 -0.88 2.28 0.03 -1.51 0.00 0.00 177.10 177.02 1va9 h ARG 100 N 1.55 0.00 0.00 -0.60 3.08 -1.92 0.33 114.38 116.82 1va9 h ARG 100 Ca -0.40 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.55 1va9 h ARG 100 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1va9 h ARG 100 CO 0.67 0.00 -0.45 0.00 -1.07 0.00 0.00 179.97 179.12 1va9 h ALA 101 N 1.94 0.86 0.00 0.04 0.00 -1.85 -3.50 119.26 116.76 1va9 h ALA 101 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1va9 h ALA 101 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1va9 h ALA 101 CO -0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1va9 n GLY 102 N 0.59 0.29 3.42 0.00 0.00 0.12 -4.45 105.19 105.15 1va9 n GLY 102 Ca 0.00 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 1va9 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va9 s THR 103 N -3.70 2.24 0.00 2.61 2.01 -1.26 0.14 115.64 117.69 1va9 s THR 103 Ca 0.00 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.84 1va9 s THR 103 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1va9 s THR 103 CO 0.00 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 1va9 n GLY 104 N -0.09 3.51 3.82 4.40 0.00 -0.79 -4.57 105.19 111.46 1va9 n GLY 104 Ca -0.10 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 1va9 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 105 N -1.24 2.68 0.35 1.61 0.04 -1.26 -4.78 135.00 132.41 1va9 s PRO 105 Ca 0.00 0.86 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1va9 s PRO 105 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1va9 s PRO 105 CO 0.00 -1.25 0.51 -1.12 0.04 0.00 0.00 177.00 175.17 1va9 s SER 106 N -3.83 5.95 0.53 6.66 0.01 -1.26 -3.72 113.70 118.04 1va9 s SER 106 Ca 0.59 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.67 1va9 s SER 106 Cb -0.14 -1.31 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 1va9 s SER 106 CO 0.55 -0.47 0.89 -0.94 0.41 0.00 0.00 173.24 173.67 1va9 s SER 107 N -4.18 6.29 -0.17 2.44 1.04 -0.76 -4.67 113.70 113.70 1va9 s SER 107 Ca 0.45 1.17 -0.38 0.00 0.48 0.00 0.00 55.95 57.67 1va9 s SER 107 Cb -0.10 -2.35 -0.15 0.00 0.10 0.00 0.00 66.02 63.52 1va9 s SER 107 CO 0.32 -0.67 1.73 -1.20 0.98 0.00 0.00 173.24 174.40 1va9 n SER 108 N -2.32 2.62 -4.68 7.02 7.64 -1.26 -4.66 113.62 117.98 1va9 n SER 108 Ca 0.03 1.05 -0.46 0.00 1.01 0.00 0.00 58.87 60.50 1va9 n SER 108 Cb 0.55 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 1va9 n SER 108 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1va9 n GLU 109 N 5.33 2.24 -0.32 1.43 2.13 -1.26 -4.97 120.64 125.21 1va9 n GLU 109 Ca 0.24 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.88 1va9 n GLU 109 Cb 0.19 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1va9 n GLU 109 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1va9 n ILE 110 N 4.20 0.00 -3.73 6.31 5.41 -1.24 -5.00 119.36 125.31 1va9 n ILE 110 Ca 0.19 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.82 1va9 n ILE 110 Cb 0.30 -0.74 -0.07 0.00 -0.71 0.00 0.00 39.64 38.41 1va9 n ILE 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1va9 s ASN 111 N -0.62 -0.19 -0.39 4.38 4.22 -1.26 -4.17 114.94 116.92 1va9 s ASN 111 Ca 0.00 -0.07 0.03 0.00 -2.14 0.00 0.00 52.86 50.68 1va9 s ASN 111 Cb 0.00 0.37 0.18 0.00 1.28 0.00 0.00 41.25 43.08 1va9 s ASN 111 CO 0.00 -0.59 0.75 0.00 -2.04 0.00 0.00 177.10 175.21 1va9 s ALA 112 N -2.25 -2.95 -0.34 3.54 0.00 -0.41 -4.82 121.76 114.54 1va9 s ALA 112 Ca -0.07 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 1va9 s ALA 112 Cb -0.02 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1va9 s ALA 112 CO -0.01 -2.29 1.96 0.99 0.00 0.00 0.00 175.76 176.41 1va9 s THR 113 N 1.89 3.31 0.52 0.00 2.01 -1.26 -3.84 115.64 118.27 1va9 s THR 113 Ca 0.16 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 1va9 s THR 113 Cb -0.02 -3.46 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 1va9 s THR 113 CO -0.09 -0.32 0.34 0.35 -0.69 0.00 0.00 174.62 174.21 1va9 n THR 114 N 7.53 1.52 -0.88 -0.82 -2.24 -0.91 -4.83 114.28 113.65 1va9 n THR 114 Ca 0.25 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1va9 n THR 114 Cb 0.47 -0.45 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1va9 n THR 114 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1va9 n LEU 115 N 1.23 -2.83 0.00 3.22 4.77 -1.23 -3.91 117.00 118.25 1va9 n LEU 115 Ca 0.11 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1va9 n LEU 115 Cb 0.46 -1.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.29 1va9 n LEU 115 CO 0.53 -4.66 0.97 -0.62 -1.33 0.00 0.00 177.39 172.28 1va9 n GLU 116 N 0.17 1.00 -3.62 3.23 1.02 -1.26 -2.79 120.64 118.39 1va9 n GLU 116 Ca 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.15 1va9 n GLU 116 Cb 0.55 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1va9 n GLU 116 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1va9 s SER 117 N -1.78 -0.05 0.13 1.62 1.04 -1.26 -4.77 113.70 108.63 1va9 s SER 117 Ca 0.37 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 1va9 s SER 117 Cb 0.17 0.06 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 1va9 s SER 117 CO 0.29 -0.10 0.67 -0.83 0.98 0.00 0.00 173.24 174.24 1va9 s GLY 118 N -2.29 2.77 -0.05 7.32 0.00 -1.26 -4.30 107.32 109.50 1va9 s GLY 118 Ca 0.12 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 1va9 s GLY 118 CO -0.04 0.63 0.37 -0.56 0.00 0.00 0.00 173.10 173.50 1va9 h PRO 119 N 4.34 -0.27 -5.16 2.90 0.13 -1.93 -3.49 132.00 128.53 1va9 h PRO 119 Ca -0.48 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1va9 h PRO 119 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1va9 h PRO 119 CO 0.65 -0.18 -0.98 0.43 -0.23 0.00 0.00 178.00 177.69 1va9 n SER 120 N -4.43 -8.05 -4.68 1.44 7.64 -1.26 -5.05 113.62 99.23 1va9 n SER 120 Ca -0.03 1.39 -0.26 0.00 1.01 0.00 0.00 58.87 60.98 1va9 n SER 120 Cb 0.11 -5.32 -0.09 0.00 -1.01 0.00 0.00 64.21 57.90 1va9 n SER 120 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1va9 s SER 121 N -1.68 4.18 0.00 6.43 1.04 -1.26 -5.29 113.70 117.12 1va9 s SER 121 Ca 0.01 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1va9 s SER 121 Cb -0.00 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1va9 s SER 121 CO 0.78 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 175.12