#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 2.09 0.00 1.61 0.15 -1.26 -4.95 113.70 111.34 1va9 s SER 2 Ca 0.00 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1va9 s SER 2 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1va9 s SER 2 CO 0.00 -0.40 0.00 -0.24 1.20 0.00 0.00 173.24 173.80 1va9 n SER 3 N 5.29 0.00 0.00 5.45 2.88 -1.26 -4.81 113.62 121.17 1va9 n SER 3 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1va9 n SER 3 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1va9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 4 N 0.00 2.34 3.77 0.46 0.00 -1.26 -4.81 105.19 105.69 1va9 n GLY 4 Ca 0.00 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 6.69 0.35 1.61 0.15 -1.26 -4.90 113.70 112.34 1va9 s SER 5 Ca 0.00 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1va9 s SER 5 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1va9 s SER 5 CO 0.00 0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.35 1va9 n SER 6 N 2.88 -1.26 -2.74 5.45 2.88 -1.26 -5.06 113.62 114.52 1va9 n SER 6 Ca -0.11 0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 57.99 1va9 n SER 6 Cb 0.52 1.35 0.04 0.00 -0.75 0.00 0.00 64.21 65.37 1va9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 7 N 0.74 -0.51 3.07 0.46 0.00 -1.26 -5.05 105.19 102.64 1va9 n GLY 7 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 2.16 4.88 -3.15 -0.61 5.41 -1.26 -4.80 119.36 121.99 1va9 n ILE 8 Ca 0.12 -5.37 0.06 0.00 1.00 0.00 0.00 62.75 58.55 1va9 n ILE 8 Cb 0.62 -2.27 -0.02 0.00 -0.71 0.00 0.00 39.64 37.26 1va9 n ILE 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1va9 s SER 9 N -0.22 -0.04 0.00 4.38 0.15 -1.26 -5.17 113.70 111.54 1va9 s SER 9 Ca 0.34 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1va9 s SER 9 Cb 0.03 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1va9 s SER 9 CO 0.04 -0.01 0.00 0.41 1.20 0.00 0.00 173.24 174.88 1va9 n THR 10 N 5.39 0.00 -3.44 6.45 -1.04 -1.26 -5.14 114.28 115.24 1va9 n THR 10 Ca -0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1va9 n THR 10 Cb 0.56 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.02 1va9 n THR 10 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1va9 s GLU 11 N 2.48 0.12 0.63 -2.82 -1.05 -1.26 -5.18 118.70 111.62 1va9 s GLU 11 Ca 0.00 0.26 -0.02 0.00 -0.15 0.00 0.00 54.97 55.05 1va9 s GLU 11 Cb 0.00 0.10 0.13 0.00 -0.44 0.00 0.00 34.13 33.92 1va9 s GLU 11 CO 0.00 -0.03 0.86 0.39 0.95 0.00 0.00 175.26 177.43 1va9 n GLU 12 N 3.99 -0.16 -3.73 -4.83 1.02 -1.26 -4.99 120.64 110.68 1va9 n GLU 12 Ca -0.12 -2.12 -0.13 0.00 -0.02 0.00 0.00 57.16 54.76 1va9 n GLU 12 Cb 0.56 -0.64 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 1va9 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1va9 s ALA 13 N -3.25 -0.96 0.47 0.62 0.00 -0.90 -4.72 121.76 113.02 1va9 s ALA 13 Ca 0.55 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 1va9 s ALA 13 Cb -0.03 -0.38 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 1va9 s ALA 13 CO 0.37 -0.22 0.71 0.00 0.00 0.00 0.00 175.76 176.62 1va9 n ALA 14 N 2.24 -0.78 -2.46 0.00 0.00 -1.26 -4.50 120.51 113.75 1va9 n ALA 14 Ca -0.16 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1va9 n ALA 14 Cb 0.57 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.93 4.44 -0.41 0.00 0.04 -1.26 -4.81 135.00 131.07 1va9 s PRO 15 Ca 0.66 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.43 1va9 s PRO 15 Cb -0.54 -3.38 0.50 0.00 0.04 0.00 0.00 34.50 31.12 1va9 s PRO 15 CO 0.56 -0.25 1.82 -3.47 0.04 0.00 0.00 177.00 175.71 1va9 n ASP 16 N 4.04 4.57 -3.61 6.66 2.03 -1.25 -3.73 116.55 125.25 1va9 n ASP 16 Ca 0.09 -3.37 -0.08 0.00 0.52 0.00 0.00 54.79 51.94 1va9 n ASP 16 Cb 0.47 -0.84 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 1va9 n ASP 16 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1va9 s GLY 17 N -0.94 -0.12 0.99 0.27 0.00 -1.26 -4.93 107.32 101.33 1va9 s GLY 17 Ca 0.48 2.46 -0.15 0.00 0.00 0.00 0.00 44.72 47.52 1va9 s GLY 17 CO 0.06 1.32 1.18 2.56 0.00 0.00 0.00 173.10 178.22 1va9 s PRO 18 N -0.67 0.46 0.86 2.90 0.04 -1.26 -4.65 135.00 132.68 1va9 s PRO 18 Ca 0.02 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.97 1va9 s PRO 18 Cb -0.02 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.84 1va9 s PRO 18 CO -0.03 -2.61 1.12 -1.25 0.04 0.00 0.00 177.00 174.27 1va9 s PRO 19 N -5.46 1.60 0.45 0.56 0.04 -1.26 -4.28 135.00 126.65 1va9 s PRO 19 Ca 0.68 0.46 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1va9 s PRO 19 Cb -0.11 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1va9 s PRO 19 CO 0.54 -1.92 0.61 -1.64 0.04 0.00 0.00 177.00 174.63 1va9 s MET 20 N -5.22 2.75 -1.56 4.56 -1.94 0.78 -4.48 119.30 114.19 1va9 s MET 20 Ca 0.62 -1.23 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 1va9 s MET 20 Cb -0.15 -2.72 0.08 0.00 2.01 0.00 0.00 34.83 34.06 1va9 s MET 20 CO 0.54 -0.37 0.66 -3.47 -0.01 0.00 0.00 175.02 172.37 1va9 n ASP 21 N -1.94 -2.27 -4.56 3.03 -0.08 -1.26 0.13 116.55 109.60 1va9 n ASP 21 Ca 0.09 -0.98 -0.42 0.00 -1.51 0.00 0.00 54.79 51.97 1va9 n ASP 21 Cb 0.59 -3.04 -0.03 0.00 2.34 0.00 0.00 41.12 40.99 1va9 n ASP 21 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1va9 s VAL 22 N -3.57 4.15 0.14 5.18 1.01 -1.26 -3.40 120.40 122.65 1va9 s VAL 22 Ca 0.43 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 1va9 s VAL 22 Cb -0.23 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.50 1va9 s VAL 22 CO 0.90 -1.25 0.34 0.28 0.00 0.00 0.00 175.10 175.37 1va9 s THR 23 N 4.61 0.08 0.24 3.92 -1.32 -1.09 -5.03 115.64 117.05 1va9 s THR 23 Ca 0.39 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 59.97 1va9 s THR 23 Cb -0.09 -1.51 -0.05 0.00 -1.51 0.00 0.00 72.50 69.35 1va9 s THR 23 CO 0.24 -0.34 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.41 1va9 s LEU 24 N -2.88 2.80 -0.30 9.08 1.43 -1.26 -2.72 118.68 124.83 1va9 s LEU 24 Ca 0.09 -0.81 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1va9 s LEU 24 Cb 0.02 -1.39 0.15 0.00 0.03 0.00 0.00 46.19 45.00 1va9 s LEU 24 CO -0.06 0.05 0.67 -1.58 0.23 0.00 0.00 176.35 175.67 1va9 s GLN 25 N -3.29 0.55 -0.14 1.70 0.74 -0.49 -4.95 119.66 113.78 1va9 s GLN 25 Ca 0.28 1.29 -0.29 0.00 0.05 0.00 0.00 55.36 56.68 1va9 s GLN 25 Cb -0.07 0.77 -0.02 0.00 1.10 0.00 0.00 33.01 34.79 1va9 s GLN 25 CO 0.16 -0.28 1.27 -1.25 -0.55 0.00 0.00 175.29 174.63 1va9 s PRO 26 N 2.86 4.25 -0.22 1.67 0.04 -1.26 0.20 135.00 142.54 1va9 s PRO 26 Ca -0.00 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.84 1va9 s PRO 26 Cb -0.12 -3.73 -0.21 0.00 0.04 0.00 0.00 34.50 30.48 1va9 s PRO 26 CO -0.19 -0.66 -0.05 1.33 0.04 0.00 0.00 177.00 177.47 1va9 n VAL 27 N 5.21 1.41 -1.23 -0.36 0.24 -1.25 -4.87 118.33 117.49 1va9 n VAL 27 Ca 0.13 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1va9 n VAL 27 Cb 0.45 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.95 0.00 -0.02 3.34 -2.24 -1.25 -4.56 114.28 106.60 1va9 n THR 28 Ca -0.38 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1va9 n THR 28 Cb 1.08 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1va9 n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1va9 n SER 29 N 0.00 3.20 -2.14 3.42 7.64 -1.26 -3.32 113.62 121.16 1va9 n SER 29 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1va9 n SER 29 Cb 0.00 1.06 0.05 0.00 -1.01 0.00 0.00 64.21 64.30 1va9 n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1va9 n GLN 30 N -1.99 2.52 -3.70 1.43 6.02 -1.26 -4.28 117.38 116.11 1va9 n GLN 30 Ca -0.06 -3.71 -0.07 0.00 -0.01 0.00 0.00 57.00 53.15 1va9 n GLN 30 Cb 0.44 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1va9 n GLN 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1va9 s SER 31 N -3.53 -0.29 0.06 1.08 0.15 -1.26 -1.90 113.70 108.01 1va9 s SER 31 Ca 0.40 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.59 1va9 s SER 31 Cb 0.37 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.26 1va9 s SER 31 CO -0.01 -1.02 0.26 -0.63 1.20 0.00 0.00 173.24 173.04 1va9 s ILE 32 N -3.54 0.10 -0.29 6.45 1.01 -0.57 -3.87 121.20 120.49 1va9 s ILE 32 Ca 0.09 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1va9 s ILE 32 Cb -0.03 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1va9 s ILE 32 CO -0.00 -0.48 0.09 -1.58 0.00 0.00 0.00 174.94 172.97 1va9 s GLN 33 N -3.07 3.14 -0.42 2.79 0.74 0.53 -1.22 119.66 122.14 1va9 s GLN 33 Ca -0.01 -0.83 -0.13 0.00 0.05 0.00 0.00 55.36 54.43 1va9 s GLN 33 Cb 0.01 -3.39 0.05 0.00 1.10 0.00 0.00 33.01 30.78 1va9 s GLN 33 CO -0.07 -0.43 0.30 0.08 -0.55 0.00 0.00 175.29 174.63 1va9 s VAL 34 N 1.51 4.93 -0.09 1.34 1.01 0.39 -1.40 120.40 128.10 1va9 s VAL 34 Ca 0.03 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1va9 s VAL 34 Cb -0.17 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1va9 s VAL 34 CO 0.03 -0.42 -0.06 0.42 0.00 0.00 0.00 175.10 175.07 1va9 s THR 35 N 1.60 3.76 0.12 3.92 -4.23 -1.10 -1.17 115.64 118.54 1va9 s THR 35 Ca 0.04 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 59.96 1va9 s THR 35 Cb -0.21 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1va9 s THR 35 CO 0.07 0.57 0.35 -1.66 -0.54 0.00 0.00 174.62 173.41 1va9 s TRP 36 N -0.49 -0.08 0.21 3.99 -2.14 -0.67 -2.66 118.94 117.10 1va9 s TRP 36 Ca 0.07 -0.27 0.11 0.00 2.66 0.00 0.00 56.10 58.67 1va9 s TRP 36 Cb -0.12 0.18 -0.04 0.00 -3.10 0.00 0.00 33.47 30.38 1va9 s TRP 36 CO 0.02 -0.68 -0.17 0.15 -2.66 0.00 0.00 176.95 173.61 1va9 s LYS 37 N -3.83 1.79 0.20 3.25 1.02 0.36 -1.70 119.74 120.82 1va9 s LYS 37 Ca 0.05 -1.47 -0.28 0.00 0.02 0.00 0.00 55.97 54.28 1va9 s LYS 37 Cb 0.02 -1.96 -0.17 0.00 -0.52 0.00 0.00 37.83 35.20 1va9 s LYS 37 CO -0.10 0.40 0.54 0.00 -0.92 0.00 0.00 175.35 175.26 1va9 n ALA 38 N -0.05 -2.84 -1.52 5.17 0.00 0.24 -0.16 120.51 121.36 1va9 n ALA 38 Ca -0.10 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1va9 n ALA 38 Cb 0.57 -1.62 0.20 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.00 0.03 0.27 0.00 0.04 -1.26 -3.92 135.00 129.16 1va9 s PRO 39 Ca 0.64 -0.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.33 1va9 s PRO 39 Cb -0.93 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 31.71 1va9 s PRO 39 CO 0.56 -2.87 0.31 1.63 0.04 0.00 0.00 177.00 176.67 1va9 n LYS 40 N -4.15 0.00 0.08 4.56 4.01 -1.26 -4.58 118.16 116.82 1va9 n LYS 40 Ca 0.12 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.83 1va9 n LYS 40 Cb 0.59 -0.93 -0.06 0.00 -0.51 0.00 0.00 35.03 34.12 1va9 n LYS 40 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1va9 h LYS 41 N 0.66 -0.28 0.00 1.97 1.63 -1.98 1.45 116.57 120.02 1va9 h LYS 41 Ca -0.30 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1va9 h LYS 41 Cb 1.34 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1va9 h LYS 41 CO 0.49 0.06 0.00 -0.85 -3.45 0.00 0.00 179.45 175.69 1va9 n GLU 42 N -4.97 0.12 -0.10 1.90 0.28 -1.26 -1.03 120.64 115.59 1va9 n GLU 42 Ca -0.07 0.62 -0.12 0.00 -0.16 0.00 0.00 57.16 57.43 1va9 n GLU 42 Cb 0.23 -1.91 -0.13 0.00 1.43 0.00 0.00 31.44 31.06 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 -2.18 1.38 -0.56 -1.84 4.77 -1.16 -4.37 117.00 113.04 1va9 n LEU 43 Ca -0.01 -0.06 0.44 0.00 -0.03 0.00 0.00 56.01 56.34 1va9 n LEU 43 Cb 0.03 -0.14 0.69 0.00 -2.33 0.00 0.00 43.42 41.67 1va9 n LEU 43 CO 0.09 0.66 1.24 0.00 -1.33 0.00 0.00 177.39 178.05 1va9 n GLN 44 N -2.91 -0.01 -3.92 3.23 6.02 0.50 -3.81 117.38 116.47 1va9 n GLN 44 Ca -0.35 1.02 -0.26 0.00 -0.01 0.00 0.00 57.00 57.40 1va9 n GLN 44 Cb 1.03 -2.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 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 -4.00 -1.00 0.00 1.08 3.02 -1.23 -4.59 115.26 108.55 1va9 n ASN 45 Ca 0.39 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1va9 n ASN 45 Cb 1.66 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.84 0.39 3.42 7.41 0.00 -1.26 -2.12 105.19 111.20 1va9 n GLY 46 Ca -0.26 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 0.33 0.00 -5.20 1.61 3.14 -1.26 -4.99 118.33 111.95 1va9 n VAL 47 Ca 0.00 -0.42 -0.32 0.00 -2.96 0.00 0.00 64.34 60.64 1va9 n VAL 47 Cb 0.00 -0.90 -0.17 0.00 -1.06 0.00 0.00 33.84 31.71 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 -2.36 2.12 0.02 1.55 -1.09 -1.26 -4.88 121.20 115.30 1va9 s ILE 48 Ca 0.66 -1.01 0.12 0.00 -2.23 0.00 0.00 60.65 58.19 1va9 s ILE 48 Cb -0.22 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1va9 s ILE 48 CO 0.66 0.56 1.44 0.03 -1.23 0.00 0.00 174.94 176.39 1va9 h ARG 49 N 6.58 0.00 0.00 2.79 2.47 -1.91 -3.44 114.38 120.88 1va9 h ARG 49 Ca -0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1va9 h ARG 49 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1va9 h ARG 49 CO 0.48 0.68 0.00 0.41 0.56 0.00 0.00 179.97 182.09 1va9 n GLY 50 N 1.06 -1.57 3.22 0.04 0.00 -0.72 -3.47 105.19 103.75 1va9 n GLY 50 Ca 0.01 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1va9 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1va9 s TYR 51 N -2.27 1.10 0.04 1.61 1.51 -1.20 0.14 117.35 118.28 1va9 s TYR 51 Ca 0.00 -1.01 0.06 0.00 -1.01 0.00 0.00 57.07 55.12 1va9 s TYR 51 Cb 0.00 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 1va9 s TYR 51 CO 0.00 -0.22 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.44 1va9 s GLN 52 N -3.90 2.21 -0.36 -0.62 -0.21 0.21 -1.83 119.66 115.16 1va9 s GLN 52 Ca 0.21 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.68 1va9 s GLN 52 Cb 0.06 -2.29 0.11 0.00 1.00 0.00 0.00 33.01 31.89 1va9 s GLN 52 CO 0.01 0.55 0.12 0.42 -2.12 0.00 0.00 175.29 174.28 1va9 s ILE 53 N -0.99 1.49 -0.38 1.08 1.09 -0.71 -1.53 121.20 121.25 1va9 s ILE 53 Ca 0.16 -2.04 -0.21 0.00 -1.10 0.00 0.00 60.65 57.47 1va9 s ILE 53 Cb -0.11 -2.09 0.01 0.00 -1.06 0.00 0.00 42.46 39.21 1va9 s ILE 53 CO 0.07 -0.71 0.65 -0.83 -0.10 0.00 0.00 174.94 174.02 1va9 s GLY 54 N 1.02 1.73 0.05 6.18 0.00 -0.14 -2.85 107.32 113.30 1va9 s GLY 54 Ca 0.12 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.99 1va9 s GLY 54 CO -0.13 1.52 -0.18 -2.52 0.00 0.00 0.00 173.10 171.80 1va9 s TYR 55 N 2.78 1.54 -0.24 1.90 1.13 -0.99 0.55 117.35 124.02 1va9 s TYR 55 Ca 0.25 -0.37 -0.18 0.00 -1.41 0.00 0.00 57.07 55.36 1va9 s TYR 55 Cb -0.14 -0.91 0.07 0.00 -1.10 0.00 0.00 41.96 39.87 1va9 s TYR 55 CO 0.16 0.07 0.60 -0.98 -2.51 0.00 0.00 175.55 172.90 1va9 s ARG 56 N -1.21 0.66 -0.11 -3.49 1.70 -1.23 -1.39 118.95 113.88 1va9 s ARG 56 Ca 0.05 0.96 -0.39 0.00 -0.47 0.00 0.00 55.73 55.88 1va9 s ARG 56 Cb -0.08 0.22 -0.16 0.00 -0.57 0.00 0.00 34.95 34.36 1va9 s ARG 56 CO 0.02 -0.12 1.53 -1.91 -1.08 0.00 0.00 175.30 173.74 1va9 n GLU 57 N 3.48 1.07 -1.16 3.89 2.13 -1.26 -3.41 120.64 125.38 1va9 n GLU 57 Ca -0.17 0.39 -0.20 0.00 0.66 0.00 0.00 57.16 57.84 1va9 n GLU 57 Cb 0.57 -2.04 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 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 3.90 6.28 -4.86 4.31 2.85 -0.12 -4.48 115.26 123.13 1va9 n ASN 58 Ca 0.23 -3.03 -0.21 0.00 -0.11 0.00 0.00 54.58 51.46 1va9 n ASN 58 Cb 0.15 -1.18 -0.03 0.00 1.24 0.00 0.00 39.78 39.95 1va9 n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1va9 s SER 59 N 0.55 5.12 -1.20 1.20 0.01 -1.26 -4.73 113.70 113.40 1va9 s SER 59 Ca 0.46 -0.66 -0.21 0.00 1.31 0.00 0.00 55.95 56.85 1va9 s SER 59 Cb 0.30 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 1va9 s SER 59 CO -0.10 -0.54 1.81 -2.16 0.41 0.00 0.00 173.24 172.66 1va9 s PRO 60 N -4.07 3.23 0.00 12.44 0.04 -1.26 -2.96 135.00 142.41 1va9 s PRO 60 Ca 0.45 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 60.05 1va9 s PRO 60 Cb -0.04 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1va9 s PRO 60 CO 0.27 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.67 1va9 n GLY 61 N 5.82 0.67 3.05 0.56 0.00 -1.26 -5.12 105.19 108.90 1va9 n GLY 61 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 1va9 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1va9 n SER 62 N 0.00 -5.59 -0.34 1.61 3.41 -1.16 -4.78 113.62 106.78 1va9 n SER 62 Ca 0.00 0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.92 1va9 n SER 62 Cb 0.00 -0.79 0.24 0.00 -0.26 0.00 0.00 64.21 63.40 1va9 n SER 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1va9 h ASN 63 N -0.91 0.92 0.00 4.04 2.35 -1.94 -3.48 115.58 116.57 1va9 h ASN 63 Ca -0.44 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1va9 h ASN 63 Cb 1.32 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1va9 h ASN 63 CO 0.26 0.53 0.00 0.61 -1.65 0.00 0.00 177.43 177.17 1va9 n GLY 64 N -1.37 -0.79 3.98 2.83 0.00 -1.26 -5.15 105.19 103.42 1va9 n GLY 64 Ca 0.17 0.48 -0.24 0.00 0.00 0.00 0.00 46.02 46.43 1va9 n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1va9 s GLN 65 N 0.00 1.70 -0.11 1.61 -1.52 -1.26 -5.03 119.66 115.04 1va9 s GLN 65 Ca 0.00 -0.93 -0.30 0.00 -1.95 0.00 0.00 55.36 52.19 1va9 s GLN 65 Cb 0.00 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.49 1va9 s GLN 65 CO 0.00 -1.46 1.13 0.71 -0.25 0.00 0.00 175.29 175.42 1va9 s TYR 66 N -3.19 3.24 -0.49 0.91 1.51 -1.26 -4.84 117.35 113.22 1va9 s TYR 66 Ca 0.66 1.32 -0.27 0.00 -1.01 0.00 0.00 57.07 57.77 1va9 s TYR 66 Cb -0.06 -3.35 -0.02 0.00 -0.11 0.00 0.00 41.96 38.42 1va9 s TYR 66 CO 0.45 -0.95 1.85 -1.12 -1.11 0.00 0.00 175.55 174.66 1va9 s SER 67 N 1.42 5.50 -0.16 2.29 0.01 -0.49 -4.76 113.70 117.50 1va9 s SER 67 Ca 0.52 0.76 -0.25 0.00 1.31 0.00 0.00 55.95 58.29 1va9 s SER 67 Cb -0.21 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 1va9 s SER 67 CO 0.17 -2.12 0.83 -0.63 0.41 0.00 0.00 173.24 171.90 1va9 s ILE 68 N 8.29 4.88 -0.21 1.44 -1.09 -1.26 -2.34 121.20 130.90 1va9 s ILE 68 Ca 0.73 1.63 0.01 0.00 -2.23 0.00 0.00 60.65 60.79 1va9 s ILE 68 Cb -0.17 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1va9 s ILE 68 CO 0.26 0.03 -0.09 0.68 -1.23 0.00 0.00 174.94 174.60 1va9 s VAL 69 N 2.10 1.63 0.05 2.92 -7.23 -1.13 -4.94 120.40 113.79 1va9 s VAL 69 Ca 0.38 -1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 59.23 1va9 s VAL 69 Cb -0.17 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 1va9 s VAL 69 CO 0.13 0.07 0.64 -1.83 -0.31 0.00 0.00 175.10 173.80 1va9 s GLU 70 N 1.38 4.35 0.27 4.82 -1.05 -1.26 -1.74 118.70 125.47 1va9 s GLU 70 Ca -0.03 0.86 0.04 0.00 -0.15 0.00 0.00 54.97 55.69 1va9 s GLU 70 Cb -0.17 -3.30 -0.02 0.00 -0.44 0.00 0.00 34.13 30.20 1va9 s GLU 70 CO -0.07 0.47 0.16 0.00 0.95 0.00 0.00 175.26 176.77 1va9 n MET 71 N 2.26 0.47 -3.70 -4.83 0.00 -0.76 -5.02 117.12 105.54 1va9 n MET 71 Ca -0.07 -2.47 -0.26 0.00 0.00 0.00 0.00 57.70 54.90 1va9 n MET 71 Cb 0.50 1.71 -0.03 0.00 0.00 0.00 0.00 33.22 35.41 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 -3.05 3.50 -0.53 3.17 1.02 -1.26 -3.26 119.74 119.33 1va9 s LYS 72 Ca 0.23 -0.39 -0.17 0.00 0.02 0.00 0.00 55.97 55.66 1va9 s LYS 72 Cb 0.01 -2.83 0.10 0.00 -0.52 0.00 0.00 37.83 34.59 1va9 s LYS 72 CO 0.16 0.38 0.53 0.00 -0.92 0.00 0.00 175.35 175.50 1va9 s ALA 73 N -1.92 3.55 0.25 5.17 0.00 -1.23 -4.69 121.76 122.90 1va9 s ALA 73 Ca 0.38 -2.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.01 1va9 s ALA 73 Cb -0.11 -3.28 0.51 0.00 0.00 0.00 0.00 23.12 20.24 1va9 s ALA 73 CO 0.30 -2.02 1.71 1.79 0.00 0.00 0.00 175.76 177.54 1va9 h THR 74 N 5.86 0.58 0.00 0.00 1.35 -1.95 -3.47 112.91 115.28 1va9 h THR 74 Ca -0.29 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1va9 h THR 74 Cb 1.10 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1va9 h THR 74 CO 1.01 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 1va9 n GLY 75 N -1.34 -0.39 0.20 5.82 0.00 -1.26 -4.99 105.19 103.23 1va9 n GLY 75 Ca 0.16 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 0.65 -3.41 1.61 3.32 -1.99 -3.44 116.42 113.16 1va9 h ASP 76 Ca 0.00 -0.43 -0.66 0.00 0.02 0.00 0.00 57.03 55.96 1va9 h ASP 76 Cb 0.00 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 39.23 1va9 h ASP 76 CO 0.00 0.93 -0.66 -0.94 -1.72 0.00 0.00 179.24 176.85 1va9 s SER 77 N -6.35 4.99 0.02 6.45 1.04 -1.26 0.83 113.70 119.41 1va9 s SER 77 Ca -0.13 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1va9 s SER 77 Cb 0.08 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.94 1va9 s SER 77 CO 0.80 0.25 -0.04 -1.61 0.98 0.00 0.00 173.24 173.62 1va9 s GLU 78 N -1.73 0.34 0.01 4.02 8.01 -0.69 -4.43 118.70 124.24 1va9 s GLU 78 Ca 0.21 -0.54 -0.05 0.00 0.01 0.00 0.00 54.97 54.60 1va9 s GLU 78 Cb -0.11 -0.07 -0.01 0.00 -4.31 0.00 0.00 34.13 29.63 1va9 s GLU 78 CO 0.12 -0.00 0.08 0.54 0.01 0.00 0.00 175.26 176.01 1va9 s VAL 79 N -1.13 0.10 -0.08 2.63 0.11 -1.26 -1.67 120.40 119.10 1va9 s VAL 79 Ca -0.11 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.06 1va9 s VAL 79 Cb -0.08 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1va9 s VAL 79 CO -0.00 -0.45 0.20 -0.47 -3.33 0.00 0.00 175.10 171.05 1va9 s TYR 80 N -1.56 -0.22 -0.52 1.54 5.04 -0.32 -4.98 117.35 116.32 1va9 s TYR 80 Ca -0.14 0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 54.91 1va9 s TYR 80 Cb -0.08 0.07 0.13 0.00 0.35 0.00 0.00 41.96 42.43 1va9 s TYR 80 CO 0.00 -0.12 0.44 0.99 -1.34 0.00 0.00 175.55 175.53 1va9 s THR 81 N 0.23 4.84 -0.54 4.34 2.01 -1.26 -0.46 115.64 124.79 1va9 s THR 81 Ca -0.01 -1.61 -0.28 0.00 0.31 0.00 0.00 61.69 60.10 1va9 s THR 81 Cb -0.02 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1va9 s THR 81 CO -0.01 -0.84 1.32 -0.76 -0.69 0.00 0.00 174.62 173.65 1va9 s LEU 82 N 1.51 3.45 0.00 4.42 1.43 -0.36 -4.84 118.68 124.30 1va9 s LEU 82 Ca 0.04 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1va9 s LEU 82 Cb -0.29 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1va9 s LEU 82 CO 0.02 -1.57 0.50 -0.90 0.23 0.00 0.00 176.35 174.62 1va9 n ASP 83 N 9.00 1.05 -3.04 2.29 5.68 -1.26 -1.51 116.55 128.75 1va9 n ASP 83 Ca 0.12 -1.79 -0.13 0.00 -0.50 0.00 0.00 54.79 52.48 1va9 n ASP 83 Cb 0.49 -0.29 0.06 0.00 -1.14 0.00 0.00 41.12 40.25 1va9 n ASP 83 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1va9 n ASN 84 N -2.74 -5.33 -3.27 -1.12 3.02 -0.80 -4.90 115.26 100.13 1va9 n ASN 84 Ca 0.09 -0.60 -0.14 0.00 -0.03 0.00 0.00 54.58 53.90 1va9 n ASN 84 Cb 0.34 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 34.89 1va9 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1va9 n LEU 85 N -3.14 0.00 -4.98 3.41 4.77 -0.93 -5.02 117.00 111.12 1va9 n LEU 85 Ca -0.10 -1.43 -0.23 0.00 -0.03 0.00 0.00 56.01 54.22 1va9 n LEU 85 Cb 0.61 0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.89 1va9 n LEU 85 CO 0.52 -0.27 0.49 -0.75 -1.33 0.00 0.00 177.39 176.04 1va9 s LYS 86 N -2.91 2.05 -0.45 3.23 2.20 -1.26 -4.78 119.74 117.82 1va9 s LYS 86 Ca 0.05 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.60 1va9 s LYS 86 Cb -0.00 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1va9 s LYS 86 CO 0.03 -1.15 0.41 0.15 -0.36 0.00 0.00 175.35 174.43 1va9 s LYS 87 N -5.01 3.03 -0.67 4.03 1.02 -1.26 -4.40 119.74 116.46 1va9 s LYS 87 Ca 0.62 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.53 1va9 s LYS 87 Cb -0.08 -4.04 0.01 0.00 -0.52 0.00 0.00 37.83 33.19 1va9 s LYS 87 CO 0.42 -0.93 0.67 0.34 -0.92 0.00 0.00 175.35 174.93 1va9 n PHE 88 N 5.42 -3.05 -3.80 3.18 7.35 -1.23 -4.99 117.46 120.36 1va9 n PHE 88 Ca -0.10 1.18 -0.13 0.00 -0.76 0.00 0.00 57.45 57.65 1va9 n PHE 88 Cb 0.46 -4.01 -0.09 0.00 0.35 0.00 0.00 39.48 36.19 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 -2.89 -0.64 0.07 3.13 0.00 -1.26 -4.89 121.76 115.28 1va9 s ALA 89 Ca 0.06 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1va9 s ALA 89 Cb -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.14 1va9 s ALA 89 CO 0.76 -0.24 1.18 -1.14 0.00 0.00 0.00 175.76 176.32 1va9 s GLN 90 N -1.35 4.45 -0.05 0.00 0.74 -1.26 -3.23 119.66 118.96 1va9 s GLN 90 Ca -0.14 1.75 0.02 0.00 0.05 0.00 0.00 55.36 57.04 1va9 s GLN 90 Cb -0.06 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.72 1va9 s GLN 90 CO 0.03 -0.22 -0.09 0.71 -0.55 0.00 0.00 175.29 175.18 1va9 s TYR 91 N 0.96 1.08 -0.31 1.67 2.02 -1.26 -0.95 117.35 120.56 1va9 s TYR 91 Ca 0.58 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1va9 s TYR 91 Cb -0.29 -0.83 0.06 0.00 -0.40 0.00 0.00 41.96 40.50 1va9 s TYR 91 CO 0.30 -0.20 0.03 0.20 -1.57 0.00 0.00 175.55 174.30 1va9 s GLY 92 N 0.65 1.79 0.22 0.71 0.00 -1.22 -2.81 107.32 106.65 1va9 s GLY 92 Ca -0.11 -1.87 0.11 0.00 0.00 0.00 0.00 44.72 42.85 1va9 s GLY 92 CO 0.02 0.74 -0.16 0.54 0.00 0.00 0.00 173.10 174.24 1va9 s VAL 93 N 1.23 2.76 0.13 1.40 0.11 -1.26 -3.50 120.40 121.27 1va9 s VAL 93 Ca -0.03 -1.99 0.08 0.00 -2.93 0.00 0.00 61.98 57.11 1va9 s VAL 93 Cb -0.20 -2.38 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 1va9 s VAL 93 CO -0.02 -0.21 -0.19 0.68 -3.33 0.00 0.00 175.10 172.04 1va9 s VAL 94 N -1.94 1.68 -0.02 2.04 -7.23 0.19 -3.67 120.40 111.45 1va9 s VAL 94 Ca 0.25 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 1va9 s VAL 94 Cb -0.07 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1va9 s VAL 94 CO 0.14 -0.20 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.80 1va9 s VAL 95 N -1.61 1.81 -0.06 1.32 1.01 -1.26 -0.97 120.40 120.65 1va9 s VAL 95 Ca 0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1va9 s VAL 95 Cb -0.08 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1va9 s VAL 95 CO 0.05 0.51 0.28 0.00 0.00 0.00 0.00 175.10 175.94 1va9 s GLN 96 N -0.52 0.48 -0.08 2.72 -2.07 -0.58 -1.89 119.66 117.73 1va9 s GLN 96 Ca 0.08 0.08 -0.18 0.00 -1.82 0.00 0.00 55.36 53.52 1va9 s GLN 96 Cb -0.09 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 1va9 s GLN 96 CO -0.01 -0.10 0.50 0.00 -1.32 0.00 0.00 175.29 174.36 1va9 s ALA 97 N -0.59 3.50 -0.05 2.60 0.00 -1.26 0.68 121.76 126.64 1va9 s ALA 97 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1va9 s ALA 97 Cb -0.04 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1va9 s ALA 97 CO 0.02 0.10 -0.15 -0.59 0.00 0.00 0.00 175.76 175.14 1va9 s PHE 98 N 0.23 1.57 0.47 0.00 -0.12 0.12 -1.89 117.98 118.37 1va9 s PHE 98 Ca 0.27 -0.49 0.02 0.00 -0.05 0.00 0.00 56.93 56.68 1va9 s PHE 98 Cb -0.16 -1.09 -0.02 0.00 -0.63 0.00 0.00 43.02 41.13 1va9 s PHE 98 CO 0.12 -0.20 0.06 0.54 -0.05 0.00 0.00 175.22 175.69 1va9 s ASN 99 N 0.25 3.60 0.34 1.98 2.20 0.14 -1.75 114.94 121.70 1va9 s ASN 99 Ca -0.07 -1.67 0.26 0.00 -0.94 0.00 0.00 52.86 50.43 1va9 s ASN 99 Cb -0.13 0.54 1.19 0.00 -2.00 0.00 0.00 41.25 40.85 1va9 s ASN 99 CO 0.03 -0.90 1.78 0.03 -2.94 0.00 0.00 177.10 175.10 1va9 h ARG 100 N 1.52 0.00 0.00 3.55 2.47 -1.96 -0.66 114.38 119.30 1va9 h ARG 100 Ca -0.40 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.19 1va9 h ARG 100 Cb 1.30 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.60 1va9 h ARG 100 CO 0.67 0.00 -0.79 0.00 0.56 0.00 0.00 179.97 180.40 1va9 h ALA 101 N 2.14 0.64 0.00 0.04 0.00 -1.89 -3.50 119.26 116.69 1va9 h ALA 101 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1va9 h ALA 101 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1va9 h ALA 101 CO 0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1va9 n GLY 102 N 1.28 -0.45 3.71 0.00 0.00 -0.25 -4.13 105.19 105.36 1va9 n GLY 102 Ca -0.01 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.24 3.90 0.36 2.61 2.01 -1.26 0.23 115.64 121.24 1va9 s THR 103 Ca 0.00 -1.55 0.05 0.00 0.31 0.00 0.00 61.69 60.50 1va9 s THR 103 Cb 0.00 -3.04 0.05 0.00 0.01 0.00 0.00 72.50 69.52 1va9 s THR 103 CO 0.00 -0.26 0.42 0.61 -0.69 0.00 0.00 174.62 174.70 1va9 n GLY 104 N -0.67 2.24 3.81 4.40 0.00 -0.79 -4.32 105.19 109.85 1va9 n GLY 104 Ca -0.08 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.58 3.49 0.53 1.61 0.04 -1.24 -4.81 135.00 131.04 1va9 s PRO 105 Ca 0.32 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1va9 s PRO 105 Cb -0.03 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1va9 s PRO 105 CO 0.20 -0.67 1.04 -1.54 0.04 0.00 0.00 177.00 176.08 1va9 s SER 106 N -2.63 6.14 0.77 6.66 1.04 -1.26 -4.10 113.70 120.32 1va9 s SER 106 Ca 0.64 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.83 1va9 s SER 106 Cb -0.15 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.49 1va9 s SER 106 CO 0.32 -0.92 1.13 -0.94 0.98 0.00 0.00 173.24 173.81 1va9 s SER 107 N -2.36 4.68 -0.01 7.02 1.04 -0.79 -4.80 113.70 118.48 1va9 s SER 107 Ca 0.65 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.52 1va9 s SER 107 Cb -0.16 -1.29 -0.08 0.00 0.10 0.00 0.00 66.02 64.58 1va9 s SER 107 CO 0.27 -1.77 2.02 -0.44 0.98 0.00 0.00 173.24 174.30 1va9 s SER 108 N -4.54 6.27 0.11 7.02 0.01 -1.26 -4.65 113.70 116.66 1va9 s SER 108 Ca 0.61 2.55 -0.31 0.00 1.31 0.00 0.00 55.95 60.11 1va9 s SER 108 Cb -0.11 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 1va9 s SER 108 CO 0.48 -1.21 1.86 1.21 0.41 0.00 0.00 173.24 175.99 1va9 n GLU 109 N 7.76 2.83 -0.48 12.44 2.13 -1.26 -4.92 120.64 139.13 1va9 n GLU 109 Ca 0.22 1.03 0.00 0.00 0.66 0.00 0.00 57.16 59.07 1va9 n GLU 109 Cb 0.42 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 29.19 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 4.84 0.00 -3.78 6.31 5.41 -1.24 -4.98 119.36 125.91 1va9 n ILE 110 Ca 0.18 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.81 1va9 n ILE 110 Cb 0.38 -0.54 -0.08 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.38 -0.11 -0.31 4.38 2.20 -1.26 -3.99 114.94 115.48 1va9 s ASN 111 Ca 0.00 -0.13 -0.01 0.00 -0.94 0.00 0.00 52.86 51.78 1va9 s ASN 111 Cb 0.00 0.32 0.19 0.00 -2.00 0.00 0.00 41.25 39.76 1va9 s ASN 111 CO 0.00 -0.52 0.78 0.00 -2.94 0.00 0.00 177.10 174.41 1va9 s ALA 112 N -2.02 -3.09 -0.03 3.54 0.00 -1.12 -4.80 121.76 114.22 1va9 s ALA 112 Ca -0.09 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1va9 s ALA 112 Cb -0.03 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1va9 s ALA 112 CO -0.00 -2.00 1.42 0.99 0.00 0.00 0.00 175.76 176.17 1va9 s THR 113 N 2.73 3.78 0.70 0.00 2.01 -1.26 -4.11 115.64 119.49 1va9 s THR 113 Ca 0.17 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1va9 s THR 113 Cb -0.06 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1va9 s THR 113 CO -0.23 -0.03 1.24 0.42 -0.69 0.00 0.00 174.62 175.33 1va9 s THR 114 N 2.81 2.22 0.48 -0.82 -4.23 -1.20 -4.81 115.64 110.09 1va9 s THR 114 Ca 0.64 0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 61.05 1va9 s THR 114 Cb -0.30 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 1va9 s THR 114 CO 0.25 -0.05 0.87 0.18 -0.54 0.00 0.00 174.62 175.34 1va9 n LEU 115 N -2.39 2.26 -0.47 4.79 4.77 -1.21 -3.56 117.00 121.18 1va9 n LEU 115 Ca 0.14 0.93 0.12 0.00 -0.03 0.00 0.00 56.01 57.17 1va9 n LEU 115 Cb 0.49 -1.31 0.46 0.00 -2.33 0.00 0.00 43.42 40.74 1va9 n LEU 115 CO 0.47 -1.96 0.83 1.21 -1.33 0.00 0.00 177.39 176.61 1va9 n GLU 116 N -0.08 1.63 -3.15 3.23 2.13 -1.26 -3.47 120.64 119.68 1va9 n GLU 116 Ca 0.11 -0.94 0.05 0.00 0.66 0.00 0.00 57.16 57.04 1va9 n GLU 116 Cb 0.42 -1.42 -0.01 0.00 0.27 0.00 0.00 31.44 30.70 1va9 n GLU 116 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1va9 s SER 117 N -1.73 -0.50 0.00 4.31 0.15 -1.26 -4.93 113.70 109.73 1va9 s SER 117 Ca 0.35 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1va9 s SER 117 Cb 0.19 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1va9 s SER 117 CO 0.29 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1va9 n GLY 118 N 5.27 0.68 0.12 9.45 0.00 -1.26 -3.83 105.19 115.62 1va9 n GLY 118 Ca 0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1va9 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va9 h PRO 119 N 0.00 -0.18 0.00 1.61 0.13 -1.85 -3.41 132.00 128.31 1va9 h PRO 119 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1va9 h PRO 119 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1va9 h PRO 119 CO 0.00 0.23 0.00 0.45 -0.23 0.00 0.00 178.00 178.45 1va9 n SER 120 N -4.88 -0.07 0.04 1.44 2.88 -1.25 -5.04 113.62 106.75 1va9 n SER 120 Ca -0.07 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1va9 n SER 120 Cb 0.24 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1va9 n SER 120 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va9 n SER 121 N -2.58 -0.80 -0.83 -3.46 7.64 -1.26 -5.10 113.62 107.23 1va9 n SER 121 Ca 0.00 0.44 0.13 0.00 1.01 0.00 0.00 58.87 60.44 1va9 n SER 121 Cb 0.00 1.04 0.21 0.00 -1.01 0.00 0.00 64.21 64.45 1va9 n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64