#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 -0.50 0.26 1.61 0.15 -1.26 -5.18 113.70 108.77 1va9 s SER 2 Ca 0.00 0.89 0.02 0.00 0.70 0.00 0.00 55.95 57.56 1va9 s SER 2 Cb 0.00 1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 65.29 1va9 s SER 2 CO 0.00 -0.15 0.06 -0.55 1.20 0.00 0.00 173.24 173.80 1va9 s SER 3 N 0.72 1.52 0.01 5.45 0.15 -1.26 -5.16 113.70 115.14 1va9 s SER 3 Ca -0.02 -1.33 -0.02 0.00 0.70 0.00 0.00 55.95 55.27 1va9 s SER 3 Cb -0.04 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1va9 s SER 3 CO -0.10 -0.65 0.20 -0.83 1.20 0.00 0.00 173.24 173.05 1va9 s GLY 4 N -3.33 2.19 -0.18 9.45 0.00 -1.26 -5.10 107.32 109.08 1va9 s GLY 4 Ca 0.35 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 1va9 s GLY 4 CO 0.12 -0.68 0.47 -0.45 0.00 0.00 0.00 173.10 172.57 1va9 s SER 5 N -2.08 -0.53 -0.15 1.64 0.15 -1.26 -5.15 113.70 106.31 1va9 s SER 5 Ca 0.30 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.94 1va9 s SER 5 Cb -0.13 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1va9 s SER 5 CO 0.21 -0.18 -0.18 -0.55 1.20 0.00 0.00 173.24 173.75 1va9 s SER 6 N 0.68 3.45 0.00 5.45 0.15 -1.26 -4.96 113.70 117.21 1va9 s SER 6 Ca -0.03 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1va9 s SER 6 Cb -0.05 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1va9 s SER 6 CO -0.05 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1va9 n GLY 7 N 4.09 0.59 3.75 9.45 0.00 -1.26 -5.05 105.19 116.76 1va9 n GLY 7 Ca -0.19 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 1va9 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va9 s ILE 8 N 0.00 4.86 0.00 -0.61 1.09 -1.26 -5.02 121.20 120.26 1va9 s ILE 8 Ca 0.00 1.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.97 1va9 s ILE 8 Cb 0.00 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 1va9 s ILE 8 CO 0.00 0.37 0.00 -0.24 -0.10 0.00 0.00 174.94 174.97 1va9 n SER 9 N 2.93 0.00 0.00 3.58 2.88 -1.26 -5.18 113.62 116.56 1va9 n SER 9 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1va9 n SER 9 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1va9 n SER 9 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1va9 n THR 10 N 0.00 0.00 -2.45 2.46 5.66 -1.26 -5.12 114.28 113.57 1va9 n THR 10 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1va9 n THR 10 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1va9 n THR 10 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1va9 n GLU 11 N -0.36 -4.74 -2.15 1.09 1.02 -1.26 -5.04 120.64 109.20 1va9 n GLU 11 Ca 0.00 3.52 -0.15 0.00 -0.02 0.00 0.00 57.16 60.51 1va9 n GLU 11 Cb 0.00 -4.81 0.07 0.00 -0.02 0.00 0.00 31.44 26.68 1va9 n GLU 11 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1va9 n GLU 12 N 1.71 0.33 -4.07 3.49 4.71 -1.26 -5.13 120.64 120.42 1va9 n GLU 12 Ca -0.24 -2.04 -0.11 0.00 -0.01 0.00 0.00 57.16 54.76 1va9 n GLU 12 Cb 0.37 -0.36 -0.11 0.00 -1.01 0.00 0.00 31.44 30.33 1va9 n GLU 12 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1va9 s ALA 13 N -2.85 0.55 0.96 0.62 0.00 -1.21 -4.77 121.76 115.05 1va9 s ALA 13 Ca 0.46 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 1va9 s ALA 13 Cb -0.03 0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.34 1va9 s ALA 13 CO 0.30 -0.10 1.05 0.00 0.00 0.00 0.00 175.76 177.00 1va9 n ALA 14 N 1.17 -1.30 -2.06 0.00 0.00 -1.26 -4.70 120.51 112.36 1va9 n ALA 14 Ca -0.21 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 1va9 n ALA 14 Cb 0.56 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 1va9 n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1va9 s PRO 15 N -4.50 4.57 -0.83 0.00 0.04 -1.26 -4.74 135.00 128.28 1va9 s PRO 15 Ca 0.66 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.46 1va9 s PRO 15 Cb -0.23 -3.27 0.33 0.00 0.04 0.00 0.00 34.50 31.37 1va9 s PRO 15 CO 0.60 0.05 1.42 -0.25 0.04 0.00 0.00 177.00 178.86 1va9 n ASP 16 N 2.38 6.05 0.00 6.66 9.92 -1.20 -4.14 116.55 136.22 1va9 n ASP 16 Ca 0.03 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.61 1va9 n ASP 16 Cb 0.46 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 1va9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1va9 n GLY 17 N -0.08 4.16 3.78 0.44 0.00 -1.26 -4.90 105.19 107.33 1va9 n GLY 17 Ca 0.39 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1va9 n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 18 N -2.18 0.61 0.66 1.61 0.04 -1.23 -4.66 135.00 129.84 1va9 s PRO 18 Ca 0.00 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.01 1va9 s PRO 18 Cb 0.00 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1va9 s PRO 18 CO 0.00 -2.52 1.06 -1.25 0.04 0.00 0.00 177.00 174.33 1va9 s PRO 19 N -5.42 3.11 0.59 0.56 0.04 -1.26 -4.52 135.00 128.10 1va9 s PRO 19 Ca 0.67 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1va9 s PRO 19 Cb -0.12 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1va9 s PRO 19 CO 0.54 -0.97 0.82 -1.64 0.04 0.00 0.00 177.00 175.78 1va9 s MET 20 N -4.71 2.23 -1.00 4.56 -1.94 -0.34 -4.41 119.30 113.70 1va9 s MET 20 Ca 0.60 -1.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 1va9 s MET 20 Cb -0.14 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1va9 s MET 20 CO 0.48 -0.93 0.00 -3.47 -0.01 0.00 0.00 175.02 171.09 1va9 n ASP 21 N -2.32 -3.52 -4.61 3.03 2.03 -1.26 0.19 116.55 110.09 1va9 n ASP 21 Ca 0.16 0.23 -0.43 0.00 0.52 0.00 0.00 54.79 55.27 1va9 n ASP 21 Cb 0.61 -3.06 -0.02 0.00 -0.72 0.00 0.00 41.12 37.93 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 -2.45 3.76 0.00 5.18 1.01 -1.25 -3.49 120.40 123.16 1va9 s VAL 22 Ca 0.00 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.57 1va9 s VAL 22 Cb 0.00 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1va9 s VAL 22 CO 0.00 -0.56 0.45 0.28 0.00 0.00 0.00 175.10 175.27 1va9 s THR 23 N 5.75 0.04 0.32 3.92 -1.32 -0.87 -5.03 115.64 118.44 1va9 s THR 23 Ca 0.68 -0.34 0.07 0.00 -1.21 0.00 0.00 61.69 60.90 1va9 s THR 23 Cb -0.18 -0.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1va9 s THR 23 CO 0.32 -0.18 0.26 -0.76 -2.21 0.00 0.00 174.62 172.04 1va9 s LEU 24 N -1.58 3.61 -0.30 9.08 1.43 -1.26 -2.30 118.68 127.37 1va9 s LEU 24 Ca -0.10 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1va9 s LEU 24 Cb -0.02 -2.20 0.16 0.00 0.03 0.00 0.00 46.19 44.16 1va9 s LEU 24 CO 0.03 -0.28 0.87 -1.58 0.23 0.00 0.00 176.35 175.61 1va9 s GLN 25 N -3.95 0.39 -0.44 1.70 0.74 0.48 -4.94 119.66 113.65 1va9 s GLN 25 Ca 0.39 0.92 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 1va9 s GLN 25 Cb -0.06 0.55 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1va9 s GLN 25 CO 0.26 -0.19 1.42 -1.25 -0.55 0.00 0.00 175.29 174.98 1va9 s PRO 26 N 2.66 3.52 -0.09 1.67 0.04 -1.26 0.21 135.00 141.74 1va9 s PRO 26 Ca -0.01 0.87 0.06 0.00 0.04 0.00 0.00 61.00 61.96 1va9 s PRO 26 Cb -0.09 -4.05 -0.24 0.00 0.04 0.00 0.00 34.50 30.16 1va9 s PRO 26 CO -0.18 -1.64 0.47 1.33 0.04 0.00 0.00 177.00 177.03 1va9 n VAL 27 N 7.07 1.64 -3.83 -0.36 0.24 -1.25 -4.88 118.33 116.95 1va9 n VAL 27 Ca 0.16 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1va9 n VAL 27 Cb 0.48 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 -3.17 0.00 0.74 3.34 -2.24 -1.25 -5.04 114.28 106.66 1va9 n THR 28 Ca -0.25 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1va9 n THR 28 Cb 1.06 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 69.43 1va9 n THR 28 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1va9 n SER 29 N -1.21 3.16 -1.02 3.42 3.41 -1.26 -3.58 113.62 116.55 1va9 n SER 29 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1va9 n SER 29 Cb 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1va9 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1va9 n GLN 30 N 1.40 0.00 -3.92 4.33 6.02 -1.26 -3.57 117.38 120.38 1va9 n GLN 30 Ca 0.16 -1.28 -0.09 0.00 -0.01 0.00 0.00 57.00 55.78 1va9 n GLN 30 Cb 0.60 -0.01 -0.04 0.00 1.02 0.00 0.00 30.24 31.81 1va9 n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1va9 s SER 31 N -1.28 -0.16 -0.17 1.08 1.04 -1.26 -0.32 113.70 112.64 1va9 s SER 31 Ca 0.14 -0.78 -0.14 0.00 0.48 0.00 0.00 55.95 55.66 1va9 s SER 31 Cb 0.16 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.94 1va9 s SER 31 CO -0.07 -1.17 0.44 -0.63 0.98 0.00 0.00 173.24 172.80 1va9 s ILE 32 N -3.97 -0.01 -0.06 -1.02 1.01 -0.91 -3.91 121.20 112.34 1va9 s ILE 32 Ca 0.17 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.65 1va9 s ILE 32 Cb -0.02 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1va9 s ILE 32 CO 0.06 0.01 0.56 -1.58 0.00 0.00 0.00 174.94 174.00 1va9 s GLN 33 N 0.61 4.33 -0.29 2.79 2.00 0.56 -1.43 119.66 128.23 1va9 s GLN 33 Ca -0.03 0.64 0.02 0.00 -2.00 0.00 0.00 55.36 53.99 1va9 s GLN 33 Cb -0.05 -3.39 0.08 0.00 0.80 0.00 0.00 33.01 30.46 1va9 s GLN 33 CO -0.04 0.25 0.00 0.08 -0.50 0.00 0.00 175.29 175.09 1va9 s VAL 34 N 0.23 1.75 -0.06 1.34 1.01 -0.11 -0.38 120.40 124.18 1va9 s VAL 34 Ca 0.30 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1va9 s VAL 34 Cb -0.17 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1va9 s VAL 34 CO 0.15 -0.37 -0.06 0.42 0.00 0.00 0.00 175.10 175.24 1va9 s THR 35 N 1.23 3.79 0.18 3.92 -4.23 -0.97 -0.81 115.64 118.73 1va9 s THR 35 Ca 0.02 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 1va9 s THR 35 Cb -0.19 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1va9 s THR 35 CO -0.10 0.58 0.38 -1.66 -0.54 0.00 0.00 174.62 173.27 1va9 s TRP 36 N -0.84 0.18 0.31 3.99 -2.14 -0.87 -2.06 118.94 117.51 1va9 s TRP 36 Ca 0.13 -0.54 0.10 0.00 2.66 0.00 0.00 56.10 58.45 1va9 s TRP 36 Cb -0.11 0.13 -0.05 0.00 -3.10 0.00 0.00 33.47 30.34 1va9 s TRP 36 CO 0.02 -0.80 -0.06 0.15 -2.66 0.00 0.00 176.95 173.60 1va9 s LYS 37 N -3.93 1.97 0.19 3.25 1.02 0.49 -2.50 119.74 120.24 1va9 s LYS 37 Ca 0.14 -1.73 -0.31 0.00 0.02 0.00 0.00 55.97 54.09 1va9 s LYS 37 Cb 0.02 -1.89 -0.16 0.00 -0.52 0.00 0.00 37.83 35.28 1va9 s LYS 37 CO -0.01 0.23 1.03 0.00 -0.92 0.00 0.00 175.35 175.67 1va9 n ALA 38 N -0.83 -1.11 -2.30 5.17 0.00 0.48 -1.20 120.51 120.73 1va9 n ALA 38 Ca -0.05 0.45 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1va9 n ALA 38 Cb 0.61 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.73 2.94 0.87 0.00 0.04 -1.26 -4.15 135.00 132.71 1va9 s PRO 39 Ca 0.69 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1va9 s PRO 39 Cb -0.85 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1va9 s PRO 39 CO 0.55 -2.49 0.00 1.63 0.04 0.00 0.00 177.00 176.73 1va9 n LYS 40 N 9.22 0.00 -0.02 4.56 4.01 -1.26 -3.49 118.16 131.18 1va9 n LYS 40 Ca 0.16 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.92 1va9 n LYS 40 Cb 0.50 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.01 1va9 n LYS 40 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1va9 n LYS 41 N -0.83 0.09 -0.11 1.97 3.00 -1.26 -4.49 118.16 116.54 1va9 n LYS 41 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.37 1va9 n LYS 41 Cb 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 35.03 34.35 1va9 n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1va9 n GLU 42 N -3.03 1.48 -0.09 1.64 0.28 -1.26 -3.34 120.64 116.32 1va9 n GLU 42 Ca -0.08 -0.69 -0.12 0.00 -0.16 0.00 0.00 57.16 56.11 1va9 n GLU 42 Cb 0.56 -1.19 -0.11 0.00 1.43 0.00 0.00 31.44 32.13 1va9 n GLU 42 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1va9 n LEU 43 N 0.06 1.79 -0.45 -1.84 4.77 -1.26 -4.43 117.00 115.64 1va9 n LEU 43 Ca 0.06 -0.07 0.38 0.00 -0.03 0.00 0.00 56.01 56.36 1va9 n LEU 43 Cb 0.19 -0.27 0.63 0.00 -2.33 0.00 0.00 43.42 41.64 1va9 n LEU 43 CO 0.05 0.67 1.14 0.00 -1.33 0.00 0.00 177.39 177.91 1va9 n GLN 44 N -2.90 -0.03 -1.67 3.23 6.02 -1.21 -3.28 117.38 117.54 1va9 n GLN 44 Ca -0.32 1.15 -0.17 0.00 -0.01 0.00 0.00 57.00 57.65 1va9 n GLN 44 Cb 0.94 -2.28 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 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 -4.52 -5.01 0.00 1.08 3.02 -1.26 -4.07 115.26 104.50 1va9 n ASN 45 Ca 0.37 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1va9 n ASN 45 Cb 1.47 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 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 -0.94 0.66 0.83 7.41 0.00 -1.26 -3.35 105.19 108.55 1va9 n GLY 46 Ca -0.17 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.20 1va9 n GLY 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1va9 n VAL 47 N 0.00 0.00 -5.06 1.61 3.14 -1.26 -4.86 118.33 111.90 1va9 n VAL 47 Ca 0.00 0.15 -0.28 0.00 -2.96 0.00 0.00 64.34 61.25 1va9 n VAL 47 Cb 0.00 -0.36 -0.16 0.00 -1.06 0.00 0.00 33.84 32.26 1va9 n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1va9 s ILE 48 N -2.69 1.75 -0.01 1.55 -1.09 -1.26 -4.90 121.20 114.54 1va9 s ILE 48 Ca 0.00 -0.97 -0.07 0.00 -2.23 0.00 0.00 60.65 57.38 1va9 s ILE 48 Cb 0.00 -1.45 -0.30 0.00 -1.58 0.00 0.00 42.46 39.13 1va9 s ILE 48 CO 0.00 0.47 0.83 0.03 -1.23 0.00 0.00 174.94 175.05 1va9 h ARG 49 N 5.53 0.34 -2.03 2.79 2.47 -1.88 -3.44 114.38 118.16 1va9 h ARG 49 Ca -0.40 -0.58 0.27 0.00 -1.26 0.00 0.00 59.98 58.00 1va9 h ARG 49 Cb 1.14 0.22 -0.08 0.00 -1.65 0.00 0.00 29.97 29.59 1va9 h ARG 49 CO 0.47 1.23 0.73 0.20 0.56 0.00 0.00 179.97 183.17 1va9 s GLY 50 N -4.94 -0.18 0.38 0.04 0.00 -0.39 -3.41 107.32 98.82 1va9 s GLY 50 Ca -0.11 0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.83 1va9 s GLY 50 CO 0.87 2.04 0.06 -0.19 0.00 0.00 0.00 173.10 175.88 1va9 s TYR 51 N -2.40 1.99 -0.03 1.90 1.51 -1.24 0.11 117.35 119.18 1va9 s TYR 51 Ca 0.20 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1va9 s TYR 51 Cb 0.01 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1va9 s TYR 51 CO 0.00 0.03 -0.06 -0.65 -1.11 0.00 0.00 175.55 173.77 1va9 s GLN 52 N -3.82 0.81 -0.30 -0.62 -0.21 0.35 -3.10 119.66 112.77 1va9 s GLN 52 Ca 0.29 -0.16 -0.02 0.00 0.02 0.00 0.00 55.36 55.49 1va9 s GLN 52 Cb 0.06 -0.79 0.05 0.00 1.00 0.00 0.00 33.01 33.33 1va9 s GLN 52 CO 0.14 -0.01 0.00 0.42 -2.12 0.00 0.00 175.29 173.72 1va9 s ILE 53 N 0.62 2.99 -0.30 1.08 1.09 -1.16 -1.07 121.20 124.44 1va9 s ILE 53 Ca -0.08 -1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 57.98 1va9 s ILE 53 Cb -0.12 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1va9 s ILE 53 CO 0.00 -0.11 0.13 -0.83 -0.10 0.00 0.00 174.94 174.03 1va9 s GLY 54 N 1.26 1.84 0.03 6.18 0.00 -0.68 -2.17 107.32 113.78 1va9 s GLY 54 Ca -0.05 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1va9 s GLY 54 CO -0.01 0.67 -0.07 -2.52 0.00 0.00 0.00 173.10 171.16 1va9 s TYR 55 N 1.59 0.64 -0.16 1.90 1.13 -0.89 -0.13 117.35 121.43 1va9 s TYR 55 Ca 0.04 -0.38 -0.23 0.00 -1.41 0.00 0.00 57.07 55.10 1va9 s TYR 55 Cb -0.17 -0.39 0.06 0.00 -1.10 0.00 0.00 41.96 40.36 1va9 s TYR 55 CO 0.05 -0.06 0.58 -0.98 -2.51 0.00 0.00 175.55 172.64 1va9 s ARG 56 N -1.15 0.78 -0.12 -3.49 1.70 -1.01 -1.18 118.95 114.48 1va9 s ARG 56 Ca -0.06 0.57 -0.37 0.00 -0.47 0.00 0.00 55.73 55.39 1va9 s ARG 56 Cb -0.08 0.37 -0.15 0.00 -0.57 0.00 0.00 34.95 34.53 1va9 s ARG 56 CO 0.00 -0.16 1.68 -1.91 -1.08 0.00 0.00 175.30 173.84 1va9 n GLU 57 N 2.12 1.50 -1.12 3.89 2.13 -1.26 -3.33 120.64 124.56 1va9 n GLU 57 Ca -0.16 0.55 -0.20 0.00 0.66 0.00 0.00 57.16 58.01 1va9 n GLU 57 Cb 0.56 -2.27 -0.02 0.00 0.27 0.00 0.00 31.44 29.98 1va9 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1va9 n ASN 58 N 4.95 6.33 -4.47 4.31 2.85 0.38 -4.64 115.26 124.97 1va9 n ASN 58 Ca 0.23 -3.05 -0.24 0.00 -0.11 0.00 0.00 54.58 51.41 1va9 n ASN 58 Cb 0.20 -1.16 -0.10 0.00 1.24 0.00 0.00 39.78 39.96 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1va9 s SER 59 N 0.47 3.61 -1.22 1.20 1.04 -1.26 -4.73 113.70 112.80 1va9 s SER 59 Ca 0.44 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 1va9 s SER 59 Cb 0.30 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1va9 s SER 59 CO -0.09 0.05 1.87 -0.81 0.98 0.00 0.00 173.24 175.24 1va9 n PRO 60 N -0.53 2.37 0.00 4.02 -0.04 -1.26 -3.24 135.00 136.32 1va9 n PRO 60 Ca -0.06 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 1va9 n PRO 60 Cb 0.59 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1va9 n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1va9 n GLY 61 N 5.38 0.17 1.32 0.55 0.00 -1.26 -5.17 105.19 106.18 1va9 n GLY 61 Ca 0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 1va9 n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1va9 n SER 62 N 0.00 0.50 0.17 1.61 2.88 -1.20 -5.01 113.62 112.56 1va9 n SER 62 Ca 0.00 -1.41 -0.16 0.00 -1.33 0.00 0.00 58.87 55.98 1va9 n SER 62 Cb 0.00 -0.21 -0.09 0.00 -0.75 0.00 0.00 64.21 63.16 1va9 n SER 62 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1va9 h ASN 63 N -0.17 -1.41 0.00 -3.46 2.35 -1.94 -3.48 115.58 107.47 1va9 h ASN 63 Ca -0.11 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1va9 h ASN 63 Cb 0.42 0.50 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1va9 h ASN 63 CO 0.12 -0.56 0.00 0.61 -1.65 0.00 0.00 177.43 175.95 1va9 n GLY 64 N -1.48 -0.63 4.00 2.83 0.00 -1.26 -5.13 105.19 103.52 1va9 n GLY 64 Ca -0.09 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1va9 n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1va9 s GLN 65 N 0.00 2.43 -0.18 1.61 -2.07 -1.26 -5.06 119.66 115.13 1va9 s GLN 65 Ca 0.00 -1.19 -0.29 0.00 -1.82 0.00 0.00 55.36 52.06 1va9 s GLN 65 Cb 0.00 -2.59 -0.00 0.00 -1.09 0.00 0.00 33.01 29.33 1va9 s GLN 65 CO 0.00 -0.74 1.01 0.71 -1.32 0.00 0.00 175.29 174.95 1va9 s TYR 66 N -2.68 3.41 -0.31 9.60 1.51 -1.26 -4.78 117.35 122.84 1va9 s TYR 66 Ca 0.59 1.49 -0.29 0.00 -1.01 0.00 0.00 57.07 57.86 1va9 s TYR 66 Cb -0.08 -3.21 -0.02 0.00 -0.11 0.00 0.00 41.96 38.54 1va9 s TYR 66 CO 0.38 -0.36 1.69 -1.12 -1.11 0.00 0.00 175.55 175.02 1va9 s SER 67 N 1.16 6.10 0.05 2.29 0.01 -0.33 -4.71 113.70 118.28 1va9 s SER 67 Ca 0.45 1.33 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 1va9 s SER 67 Cb -0.16 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 1va9 s SER 67 CO 0.11 -1.54 0.54 -0.63 0.41 0.00 0.00 173.24 172.13 1va9 s ILE 68 N 6.18 4.81 -0.13 1.44 -1.09 -1.26 -2.10 121.20 129.06 1va9 s ILE 68 Ca 0.75 1.14 -0.00 0.00 -2.23 0.00 0.00 60.65 60.30 1va9 s ILE 68 Cb -0.22 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1va9 s ILE 68 CO 0.32 0.55 -0.10 0.68 -1.23 0.00 0.00 174.94 175.17 1va9 s VAL 69 N -1.06 1.22 0.12 2.92 -7.23 -0.92 -4.95 120.40 110.49 1va9 s VAL 69 Ca 0.28 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1va9 s VAL 69 Cb -0.19 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.48 1va9 s VAL 69 CO 0.18 0.38 0.94 -0.70 -0.31 0.00 0.00 175.10 175.58 1va9 s GLU 70 N 1.63 4.70 0.33 4.82 -6.30 -1.26 -2.98 118.70 119.63 1va9 s GLU 70 Ca 0.05 1.41 0.03 0.00 -2.50 0.00 0.00 54.97 53.96 1va9 s GLU 70 Cb -0.13 -3.36 -0.01 0.00 0.00 0.00 0.00 34.13 30.63 1va9 s GLU 70 CO -0.09 0.27 0.37 0.00 0.02 0.00 0.00 175.26 175.83 1va9 n MET 71 N 2.60 0.54 -4.43 4.30 0.00 -1.18 -5.06 117.12 113.89 1va9 n MET 71 Ca 0.01 -2.93 -0.29 0.00 0.00 0.00 0.00 57.70 54.49 1va9 n MET 71 Cb 0.49 2.60 -0.13 0.00 0.00 0.00 0.00 33.22 36.18 1va9 n MET 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1va9 s LYS 72 N -3.02 1.56 -0.53 3.17 -2.85 -1.26 -3.71 119.74 113.10 1va9 s LYS 72 Ca 0.33 -1.27 -0.28 0.00 -1.00 0.00 0.00 55.97 53.75 1va9 s LYS 72 Cb 0.00 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.81 1va9 s LYS 72 CO 0.23 0.47 1.45 0.00 0.10 0.00 0.00 175.35 177.60 1va9 s ALA 73 N -1.05 2.82 0.30 0.59 0.00 -1.22 -4.80 121.76 118.40 1va9 s ALA 73 Ca 0.15 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1va9 s ALA 73 Cb -0.10 -4.08 0.44 0.00 0.00 0.00 0.00 23.12 19.38 1va9 s ALA 73 CO 0.07 -2.87 1.95 1.79 0.00 0.00 0.00 175.76 176.69 1va9 h THR 74 N 6.43 1.21 0.00 0.00 1.35 -1.95 -3.48 112.91 116.47 1va9 h THR 74 Ca -0.27 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1va9 h THR 74 Cb 1.10 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1va9 h THR 74 CO 1.16 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 177.26 1va9 n GLY 75 N -1.33 -0.58 0.12 5.82 0.00 -1.26 -4.97 105.19 102.99 1va9 n GLY 75 Ca 0.08 0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 1va9 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1va9 h ASP 76 N 0.00 0.00 -4.27 1.61 5.19 -1.99 -3.45 116.42 113.51 1va9 h ASP 76 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1va9 h ASP 76 Cb 0.00 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.26 1va9 h ASP 76 CO 0.00 0.68 -0.83 -0.94 -3.12 0.00 0.00 179.24 175.03 1va9 s SER 77 N -6.64 2.40 0.09 6.45 1.04 -1.26 -0.39 113.70 115.39 1va9 s SER 77 Ca 0.01 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1va9 s SER 77 Cb 0.10 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1va9 s SER 77 CO 0.76 0.13 -0.07 -1.61 0.98 0.00 0.00 173.24 173.43 1va9 s GLU 78 N -1.31 0.79 -0.04 4.02 8.01 -1.04 -4.49 118.70 124.64 1va9 s GLU 78 Ca 0.07 -1.24 -0.15 0.00 0.01 0.00 0.00 54.97 53.65 1va9 s GLU 78 Cb -0.09 -0.23 0.03 0.00 -4.31 0.00 0.00 34.13 29.52 1va9 s GLU 78 CO 0.02 -0.00 0.34 0.54 0.01 0.00 0.00 175.26 176.16 1va9 s VAL 79 N -3.24 0.04 -0.10 2.63 0.11 -1.26 -2.04 120.40 116.55 1va9 s VAL 79 Ca 0.08 -0.35 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1va9 s VAL 79 Cb 0.03 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1va9 s VAL 79 CO -0.04 -0.19 0.21 -0.47 -3.33 0.00 0.00 175.10 171.28 1va9 s TYR 80 N -0.99 -0.28 -0.47 1.54 6.14 0.01 -4.98 117.35 118.32 1va9 s TYR 80 Ca -0.11 0.71 -0.13 0.00 0.64 0.00 0.00 57.07 58.19 1va9 s TYR 80 Cb -0.04 -0.03 0.10 0.00 0.42 0.00 0.00 41.96 42.40 1va9 s TYR 80 CO 0.04 -0.24 0.37 0.99 0.64 0.00 0.00 175.55 177.35 1va9 s THR 81 N 1.51 4.75 -0.47 4.34 2.01 -1.26 -0.93 115.64 125.59 1va9 s THR 81 Ca -0.06 -1.40 -0.28 0.00 0.31 0.00 0.00 61.69 60.26 1va9 s THR 81 Cb -0.11 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1va9 s THR 81 CO -0.08 -0.66 1.55 -0.76 -0.69 0.00 0.00 174.62 173.98 1va9 s LEU 82 N 1.52 3.47 0.79 4.42 2.01 -0.52 -4.82 118.68 125.55 1va9 s LEU 82 Ca 0.04 0.69 -0.04 0.00 0.01 0.00 0.00 54.13 54.83 1va9 s LEU 82 Cb -0.26 -3.25 0.16 0.00 0.01 0.00 0.00 46.19 42.84 1va9 s LEU 82 CO 0.03 -1.70 1.08 1.51 1.01 0.00 0.00 176.35 178.28 1va9 s ASP 83 N 5.06 3.98 -0.97 2.29 1.47 -1.26 -2.13 116.67 125.11 1va9 s ASP 83 Ca 0.63 -0.33 -0.05 0.00 1.18 0.00 0.00 52.55 53.98 1va9 s ASP 83 Cb -0.14 0.09 -0.06 0.00 -0.34 0.00 0.00 42.92 42.47 1va9 s ASP 83 CO 0.29 -2.13 0.85 0.59 0.68 0.00 0.00 175.17 175.46 1va9 n ASN 84 N -3.06 -6.62 -4.57 2.11 3.02 -0.58 -4.90 115.26 100.66 1va9 n ASN 84 Ca 0.16 -0.60 -0.28 0.00 -0.03 0.00 0.00 54.58 53.83 1va9 n ASN 84 Cb 0.60 -5.04 -0.09 0.00 -0.61 0.00 0.00 39.78 34.64 1va9 n ASN 84 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1va9 s LEU 85 N -5.10 2.43 0.00 3.41 1.43 0.57 -4.99 118.68 116.43 1va9 s LEU 85 Ca 0.38 -1.52 -0.07 0.00 -1.03 0.00 0.00 54.13 51.90 1va9 s LEU 85 Cb -0.05 -0.64 0.12 0.00 0.03 0.00 0.00 46.19 45.65 1va9 s LEU 85 CO 0.71 -0.69 0.74 1.17 0.23 0.00 0.00 176.35 178.52 1va9 n LYS 86 N -1.02 -0.47 -4.80 1.70 4.81 -1.26 -4.45 118.16 112.67 1va9 n LYS 86 Ca -0.10 -1.39 -0.33 0.00 -0.87 0.00 0.00 58.31 55.62 1va9 n LYS 86 Cb 0.67 -0.69 -0.14 0.00 0.02 0.00 0.00 35.03 34.88 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 -4.53 3.31 -1.27 1.64 1.02 -1.23 -4.03 119.74 114.66 1va9 s LYS 87 Ca 0.44 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 1va9 s LYS 87 Cb -0.02 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1va9 s LYS 87 CO 0.30 0.25 0.61 0.34 -0.92 0.00 0.00 175.35 175.93 1va9 n PHE 88 N 3.43 -1.73 -4.22 3.18 7.35 -0.32 -4.90 117.46 120.25 1va9 n PHE 88 Ca -0.18 0.54 -0.17 0.00 -0.76 0.00 0.00 57.45 56.88 1va9 n PHE 88 Cb 0.53 -3.49 -0.13 0.00 0.35 0.00 0.00 39.48 36.73 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 -3.70 0.78 -0.19 3.13 0.00 -1.26 -4.81 121.76 115.70 1va9 s ALA 89 Ca 0.27 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1va9 s ALA 89 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1va9 s ALA 89 CO 0.89 0.12 1.33 -1.14 0.00 0.00 0.00 175.76 176.96 1va9 s GLN 90 N -0.97 4.12 -0.08 0.00 0.74 -1.26 -2.26 119.66 119.94 1va9 s GLN 90 Ca -0.02 1.60 0.03 0.00 0.05 0.00 0.00 55.36 57.02 1va9 s GLN 90 Cb -0.07 -3.83 0.01 0.00 1.10 0.00 0.00 33.01 30.22 1va9 s GLN 90 CO 0.01 -0.87 -0.16 0.71 -0.55 0.00 0.00 175.29 174.43 1va9 s TYR 91 N 3.90 1.87 -0.12 1.67 2.02 -1.26 -0.47 117.35 124.95 1va9 s TYR 91 Ca 0.58 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 56.50 1va9 s TYR 91 Cb -0.22 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1va9 s TYR 91 CO 0.19 -0.34 0.01 0.20 -1.57 0.00 0.00 175.55 174.04 1va9 s GLY 92 N 0.59 1.85 0.08 0.71 0.00 -1.21 -2.86 107.32 106.48 1va9 s GLY 92 Ca -0.15 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1va9 s GLY 92 CO 0.05 -0.32 -0.11 0.14 0.00 0.00 0.00 173.10 172.86 1va9 s VAL 93 N -0.35 0.90 -0.06 1.40 1.01 -1.24 -2.39 120.40 119.67 1va9 s VAL 93 Ca 0.07 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 1va9 s VAL 93 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1va9 s VAL 93 CO 0.02 -0.43 0.03 0.68 0.00 0.00 0.00 175.10 175.40 1va9 s VAL 94 N -1.91 0.14 0.12 2.92 -7.23 0.81 -3.62 120.40 111.62 1va9 s VAL 94 Ca 0.00 0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.32 1va9 s VAL 94 Cb -0.06 -0.35 -0.06 0.00 0.56 0.00 0.00 36.38 36.46 1va9 s VAL 94 CO 0.01 0.21 0.46 -0.69 -0.31 0.00 0.00 175.10 174.78 1va9 s VAL 95 N 2.07 5.00 -0.17 1.32 1.01 -1.26 -1.68 120.40 126.69 1va9 s VAL 95 Ca 0.05 0.57 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1va9 s VAL 95 Cb -0.12 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1va9 s VAL 95 CO -0.04 0.23 0.46 0.00 0.00 0.00 0.00 175.10 175.75 1va9 s GLN 96 N -2.04 0.56 -0.08 2.72 -2.07 -0.24 -1.65 119.66 116.87 1va9 s GLN 96 Ca 0.36 0.60 -0.18 0.00 -1.82 0.00 0.00 55.36 54.32 1va9 s GLN 96 Cb -0.14 0.27 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 1va9 s GLN 96 CO 0.19 -0.08 0.49 0.00 -1.32 0.00 0.00 175.29 174.58 1va9 s ALA 97 N 0.15 3.50 -0.03 2.60 0.00 -1.26 0.13 121.76 126.85 1va9 s ALA 97 Ca -0.01 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1va9 s ALA 97 Cb -0.03 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1va9 s ALA 97 CO 0.01 0.09 -0.20 -0.59 0.00 0.00 0.00 175.76 175.08 1va9 s PHE 98 N 0.26 1.83 0.48 0.00 -0.12 0.30 -1.90 117.98 118.83 1va9 s PHE 98 Ca 0.27 -0.43 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1va9 s PHE 98 Cb -0.16 -1.20 -0.02 0.00 -0.63 0.00 0.00 43.02 41.01 1va9 s PHE 98 CO 0.12 -0.10 0.05 -0.80 -0.05 0.00 0.00 175.22 174.44 1va9 s ASN 99 N -0.26 3.68 0.50 1.98 0.01 0.19 -1.26 114.94 119.78 1va9 s ASN 99 Ca 0.02 -1.67 0.23 0.00 -0.71 0.00 0.00 52.86 50.74 1va9 s ASN 99 Cb -0.10 0.52 1.32 0.00 0.41 0.00 0.00 41.25 43.40 1va9 s ASN 99 CO 0.01 -0.88 2.06 0.03 -1.51 0.00 0.00 177.10 176.80 1va9 h ARG 100 N 1.50 0.00 0.00 -0.60 2.47 -1.95 -0.44 114.38 115.35 1va9 h ARG 100 Ca -0.41 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.23 1va9 h ARG 100 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 1va9 h ARG 100 CO 0.68 0.13 -0.38 0.00 0.56 0.00 0.00 179.97 180.97 1va9 h ALA 101 N 1.87 0.97 0.00 0.04 0.00 -1.86 -3.49 119.26 116.79 1va9 h ALA 101 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1va9 h ALA 101 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1va9 h ALA 101 CO 0.02 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1va9 n GLY 102 N 0.30 -0.17 3.78 0.00 0.00 -0.17 -4.51 105.19 104.42 1va9 n GLY 102 Ca -0.00 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.29 4.61 0.10 2.61 2.01 -1.26 0.54 115.64 121.96 1va9 s THR 103 Ca 0.00 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1va9 s THR 103 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1va9 s THR 103 CO 0.00 0.22 0.13 0.61 -0.69 0.00 0.00 174.62 174.89 1va9 n GLY 104 N 0.76 2.07 3.81 4.40 0.00 -0.80 -4.69 105.19 110.74 1va9 n GLY 104 Ca -0.10 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.46 3.13 0.36 1.61 0.04 -1.26 -4.75 135.00 131.67 1va9 s PRO 105 Ca 0.10 1.05 0.06 0.00 0.04 0.00 0.00 61.00 62.25 1va9 s PRO 105 Cb -0.01 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1va9 s PRO 105 CO 0.06 -0.95 0.51 -1.12 0.04 0.00 0.00 177.00 175.54 1va9 s SER 106 N -3.39 5.91 0.74 6.66 0.01 -1.26 -3.51 113.70 118.87 1va9 s SER 106 Ca 0.60 -0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 1va9 s SER 106 Cb -0.15 -1.19 0.04 0.00 0.21 0.00 0.00 66.02 64.94 1va9 s SER 106 CO 0.47 -0.51 1.12 -0.94 0.41 0.00 0.00 173.24 173.79 1va9 s SER 107 N -4.20 5.06 0.80 2.44 1.04 -0.66 -4.69 113.70 113.49 1va9 s SER 107 Ca 0.47 0.97 -0.15 0.00 0.48 0.00 0.00 55.95 57.71 1va9 s SER 107 Cb -0.10 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 1va9 s SER 107 CO 0.32 -1.56 0.39 -1.54 0.98 0.00 0.00 173.24 171.83 1va9 n SER 108 N -3.12 -1.82 -4.65 7.02 3.41 -1.26 -4.67 113.62 108.53 1va9 n SER 108 Ca 0.07 0.49 -0.43 0.00 -0.26 0.00 0.00 58.87 58.74 1va9 n SER 108 Cb 0.59 -1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1va9 n SER 108 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1va9 s GLU 109 N -2.93 4.13 0.11 4.33 2.12 -1.26 -4.81 118.70 120.40 1va9 s GLU 109 Ca 0.61 1.20 0.01 0.00 0.36 0.00 0.00 54.97 57.15 1va9 s GLU 109 Cb -0.30 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.39 1va9 s GLU 109 CO 0.63 -0.81 0.09 0.44 -0.54 0.00 0.00 175.26 175.06 1va9 n ILE 110 N 5.68 0.00 -3.83 -3.70 -5.35 -1.24 -5.00 119.36 105.93 1va9 n ILE 110 Ca 0.12 -0.45 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 1va9 n ILE 110 Cb 0.47 -0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 37.89 1va9 n ILE 110 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1va9 s ASN 111 N -1.67 -0.14 -0.45 7.28 0.01 -1.26 -3.60 114.94 115.11 1va9 s ASN 111 Ca 0.07 -0.64 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1va9 s ASN 111 Cb -0.01 0.53 0.25 0.00 0.41 0.00 0.00 41.25 42.44 1va9 s ASN 111 CO 0.04 -1.00 0.99 0.00 -1.51 0.00 0.00 177.10 175.62 1va9 n ALA 112 N -0.30 -1.95 -1.36 0.60 0.00 -1.13 -4.67 120.51 111.69 1va9 n ALA 112 Ca -0.09 -1.12 -0.60 0.00 0.00 0.00 0.00 53.44 51.63 1va9 n ALA 112 Cb 0.63 -1.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 1va9 n ALA 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1va9 n THR 113 N 1.56 0.00 -0.62 0.00 -1.04 -1.26 -4.59 114.28 108.33 1va9 n THR 113 Ca 0.07 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.87 1va9 n THR 113 Cb 0.65 -0.48 0.13 0.00 -1.82 0.00 0.00 70.33 68.81 1va9 n THR 113 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1va9 n THR 114 N 5.49 0.00 -3.02 12.58 -2.24 -0.96 -4.76 114.28 121.37 1va9 n THR 114 Ca 0.46 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.83 1va9 n THR 114 Cb -0.04 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1va9 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1va9 s LEU 115 N 1.46 4.03 0.00 3.22 1.43 -1.23 -3.52 118.68 124.06 1va9 s LEU 115 Ca 0.36 1.43 0.25 0.00 -1.03 0.00 0.00 54.13 55.15 1va9 s LEU 115 Cb -0.05 -4.24 0.45 0.00 0.03 0.00 0.00 46.19 42.38 1va9 s LEU 115 CO 0.39 -0.26 1.40 1.21 0.23 0.00 0.00 176.35 179.32 1va9 n GLU 116 N -0.44 1.90 -2.03 1.70 2.13 -1.26 -1.17 120.64 121.47 1va9 n GLU 116 Ca 0.05 -1.44 0.00 0.00 0.66 0.00 0.00 57.16 56.42 1va9 n GLU 116 Cb 0.53 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1va9 n GLU 116 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1va9 n SER 117 N 0.71 -8.79 -0.82 4.31 7.64 -1.26 -4.93 113.62 110.47 1va9 n SER 117 Ca 0.15 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1va9 n SER 117 Cb 0.50 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1va9 n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va9 n GLY 118 N 1.85 2.67 3.65 0.23 0.00 -1.26 -5.12 105.19 107.21 1va9 n GLY 118 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1va9 n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va9 s PRO 119 N -1.46 4.12 0.47 1.61 0.04 -1.26 -4.81 135.00 133.71 1va9 s PRO 119 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1va9 s PRO 119 Cb 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1va9 s PRO 119 CO 0.00 -0.85 0.00 0.43 0.04 0.00 0.00 177.00 176.62 1va9 n SER 120 N 6.99 -8.37 -0.07 6.66 7.64 -1.26 -4.76 113.62 120.46 1va9 n SER 120 Ca 0.14 0.99 -0.05 0.00 1.01 0.00 0.00 58.87 60.96 1va9 n SER 120 Cb 0.45 -4.59 -0.03 0.00 -1.01 0.00 0.00 64.21 59.04 1va9 n SER 120 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1va9 h SER 121 N -1.39 0.00 0.00 6.43 0.87 -2.06 -3.51 113.55 113.89 1va9 h SER 121 Ca -0.08 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1va9 h SER 121 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1va9 h SER 121 CO 0.05 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 177.71