#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 -0.73 -0.16 1.61 0.15 -1.26 -5.12 113.70 108.19 1va9 s SER 2 Ca 0.00 1.27 -0.32 0.00 0.70 0.00 0.00 55.95 57.59 1va9 s SER 2 Cb 0.00 1.85 0.14 0.00 -1.71 0.00 0.00 66.02 66.30 1va9 s SER 2 CO 0.00 -0.23 1.13 -0.55 1.20 0.00 0.00 173.24 174.79 1va9 s SER 3 N 2.76 -0.21 -0.63 5.45 0.15 -1.26 -5.11 113.70 114.86 1va9 s SER 3 Ca -0.03 0.07 -0.06 0.00 0.70 0.00 0.00 55.95 56.63 1va9 s SER 3 Cb -0.12 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.55 1va9 s SER 3 CO -0.16 -0.30 0.47 -0.83 1.20 0.00 0.00 173.24 173.62 1va9 s GLY 4 N -1.92 2.42 -0.11 9.45 0.00 -1.26 -5.01 107.32 110.89 1va9 s GLY 4 Ca 0.07 -3.10 -0.31 0.00 0.00 0.00 0.00 44.72 41.38 1va9 s GLY 4 CO -0.05 1.13 1.02 -1.35 0.00 0.00 0.00 173.10 173.85 1va9 s SER 5 N 1.40 -0.29 0.29 1.64 1.04 -1.26 -5.09 113.70 111.42 1va9 s SER 5 Ca 0.15 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1va9 s SER 5 Cb -0.19 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1va9 s SER 5 CO -0.04 -0.42 0.00 -1.20 0.98 0.00 0.00 173.24 172.56 1va9 n SER 6 N 0.10 -0.13 0.00 7.02 7.64 -1.26 -5.10 113.62 121.89 1va9 n SER 6 Ca -0.06 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1va9 n SER 6 Cb 0.60 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1va9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va9 n GLY 7 N 1.59 2.91 3.75 0.23 0.00 -1.26 -4.27 105.19 108.14 1va9 n GLY 7 Ca 0.00 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 5.18 -0.30 -0.61 -1.09 -1.26 -5.03 121.20 118.09 1va9 s ILE 8 Ca 0.00 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.10 1va9 s ILE 8 Cb 0.00 -3.74 0.18 0.00 -1.58 0.00 0.00 42.46 37.31 1va9 s ILE 8 CO 0.00 0.40 1.07 -0.44 -1.23 0.00 0.00 174.94 174.75 1va9 s SER 9 N 0.16 -0.41 0.00 3.58 0.01 -1.26 -5.17 113.70 110.61 1va9 s SER 9 Ca 0.23 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1va9 s SER 9 Cb -0.15 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1va9 s SER 9 CO 0.09 -0.08 0.00 0.41 0.41 0.00 0.00 173.24 174.08 1va9 n THR 10 N 5.35 0.00 -0.68 1.44 -1.04 -1.26 -4.90 114.28 113.19 1va9 n THR 10 Ca -0.07 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 1va9 n THR 10 Cb 0.54 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.18 1va9 n THR 10 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1va9 n GLU 11 N 0.00 1.94 -1.20 -2.82 1.02 -1.26 -5.03 120.64 113.29 1va9 n GLU 11 Ca 0.00 -2.26 0.13 0.00 -0.02 0.00 0.00 57.16 55.02 1va9 n GLU 11 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.48 1va9 n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1va9 n GLU 12 N -0.73 -2.33 -3.96 3.49 2.13 -1.26 -4.26 120.64 113.72 1va9 n GLU 12 Ca 0.45 1.77 -0.12 0.00 0.66 0.00 0.00 57.16 59.92 1va9 n GLU 12 Cb 1.37 -2.91 -0.13 0.00 0.27 0.00 0.00 31.44 30.04 1va9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1va9 s ALA 13 N -3.45 0.15 0.63 4.31 0.00 -1.13 -4.64 121.76 117.62 1va9 s ALA 13 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 1va9 s ALA 13 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 1va9 s ALA 13 CO 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 175.76 176.03 1va9 n ALA 14 N 2.60 -1.99 -2.43 0.00 0.00 -1.26 -4.60 120.51 112.83 1va9 n ALA 14 Ca -0.16 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 1va9 n ALA 14 Cb 0.58 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.03 4.30 -0.54 0.00 0.04 -1.26 -4.75 135.00 130.75 1va9 s PRO 15 Ca 0.63 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 63.33 1va9 s PRO 15 Cb -0.41 -3.65 0.20 0.00 0.04 0.00 0.00 34.50 30.68 1va9 s PRO 15 CO 0.60 -0.56 2.38 -0.25 0.04 0.00 0.00 177.00 179.21 1va9 n ASP 16 N 5.79 6.86 0.00 6.66 9.92 -1.15 -3.88 116.55 140.76 1va9 n ASP 16 Ca 0.12 -3.39 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 1va9 n ASP 16 Cb 0.45 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 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 0.25 1.97 3.79 0.44 0.00 -1.26 -4.92 105.19 105.46 1va9 n GLY 17 Ca 0.48 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.15 1.12 0.69 1.61 0.04 -1.25 -4.68 135.00 131.37 1va9 s PRO 18 Ca 0.00 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.21 1va9 s PRO 18 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1va9 s PRO 18 CO 0.00 -2.21 1.06 -1.25 0.04 0.00 0.00 177.00 174.64 1va9 s PRO 19 N -5.29 2.98 0.51 0.56 0.04 -1.26 -4.33 135.00 128.20 1va9 s PRO 19 Ca 0.64 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.73 1va9 s PRO 19 Cb -0.15 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1va9 s PRO 19 CO 0.53 -1.07 0.69 -1.64 0.04 0.00 0.00 177.00 175.56 1va9 s MET 20 N -4.98 2.54 -1.29 4.56 -1.94 -0.19 -4.44 119.30 113.55 1va9 s MET 20 Ca 0.58 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1va9 s MET 20 Cb -0.14 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.03 1va9 s MET 20 CO 0.54 -0.60 0.28 -3.47 -0.01 0.00 0.00 175.02 171.76 1va9 n ASP 21 N -2.07 -4.47 -4.58 3.03 2.03 -1.26 0.19 116.55 109.41 1va9 n ASP 21 Ca 0.12 -0.11 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 1va9 n ASP 21 Cb 0.60 -3.71 -0.03 0.00 -0.72 0.00 0.00 41.12 37.27 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 -2.87 3.76 0.04 5.18 1.01 -1.25 -3.35 120.40 122.92 1va9 s VAL 22 Ca 0.19 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1va9 s VAL 22 Cb -0.09 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.09 1va9 s VAL 22 CO 0.23 -0.92 0.42 0.28 0.00 0.00 0.00 175.10 175.11 1va9 s THR 23 N 6.20 0.05 0.28 3.92 -1.32 -0.90 -4.98 115.64 118.90 1va9 s THR 23 Ca 0.60 -0.44 0.08 0.00 -1.21 0.00 0.00 61.69 60.71 1va9 s THR 23 Cb -0.13 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1va9 s THR 23 CO 0.28 -0.24 0.19 -0.76 -2.21 0.00 0.00 174.62 171.88 1va9 s LEU 24 N -1.99 3.66 -0.29 9.08 1.43 -1.26 -2.09 118.68 127.22 1va9 s LEU 24 Ca -0.05 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1va9 s LEU 24 Cb -0.01 -2.20 0.14 0.00 0.03 0.00 0.00 46.19 44.14 1va9 s LEU 24 CO -0.02 -0.12 0.62 -1.58 0.23 0.00 0.00 176.35 175.47 1va9 s GLN 25 N -3.86 0.55 -0.18 1.70 0.74 0.64 -4.95 119.66 114.30 1va9 s GLN 25 Ca 0.35 1.34 -0.29 0.00 0.05 0.00 0.00 55.36 56.80 1va9 s GLN 25 Cb -0.07 0.76 -0.01 0.00 1.10 0.00 0.00 33.01 34.79 1va9 s GLN 25 CO 0.25 -0.28 1.29 -1.25 -0.55 0.00 0.00 175.29 174.75 1va9 s PRO 26 N 2.86 4.17 -0.12 1.67 0.04 -1.26 0.16 135.00 142.52 1va9 s PRO 26 Ca -0.01 1.61 0.06 0.00 0.04 0.00 0.00 61.00 62.70 1va9 s PRO 26 Cb -0.13 -3.79 -0.11 0.00 0.04 0.00 0.00 34.50 30.51 1va9 s PRO 26 CO -0.19 -0.78 -0.04 1.33 0.04 0.00 0.00 177.00 177.36 1va9 n VAL 27 N 5.52 0.77 -3.31 -0.36 0.24 -1.24 -4.89 118.33 115.07 1va9 n VAL 27 Ca 0.14 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1va9 n VAL 27 Cb 0.45 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.64 0.00 -0.03 3.34 -2.24 -1.17 -5.06 114.28 106.47 1va9 n THR 28 Ca -0.21 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1va9 n THR 28 Cb 0.81 -0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.54 2.05 -2.22 3.42 7.64 -1.26 -4.20 113.62 118.51 1va9 n SER 29 Ca 0.00 0.26 -0.26 0.00 1.01 0.00 0.00 58.87 59.89 1va9 n SER 29 Cb 0.00 -0.88 0.01 0.00 -1.01 0.00 0.00 64.21 62.33 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 -3.75 3.52 -3.56 1.43 6.02 -1.26 -4.23 117.38 115.55 1va9 n GLN 30 Ca -0.33 -4.30 -0.14 0.00 -0.01 0.00 0.00 57.00 52.23 1va9 n GLN 30 Cb 0.95 -2.27 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.53 -0.54 0.09 1.08 0.01 -1.26 -1.56 113.70 107.99 1va9 s SER 31 Ca 0.50 0.67 0.03 0.00 1.31 0.00 0.00 55.95 58.45 1va9 s SER 31 Cb 0.41 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 67.15 1va9 s SER 31 CO -0.06 -0.44 -0.08 -0.63 0.41 0.00 0.00 173.24 172.44 1va9 s ILE 32 N -0.91 0.77 -0.21 1.44 1.01 0.31 -3.06 121.20 120.54 1va9 s ILE 32 Ca -0.05 -1.62 -0.07 0.00 0.00 0.00 0.00 60.65 58.90 1va9 s ILE 32 Cb -0.01 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1va9 s ILE 32 CO 0.05 -0.63 0.06 -1.58 0.00 0.00 0.00 174.94 172.84 1va9 s GLN 33 N -2.90 3.82 -0.31 2.79 0.74 0.41 -1.16 119.66 123.05 1va9 s GLN 33 Ca 0.04 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 54.99 1va9 s GLN 33 Cb -0.02 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.88 1va9 s GLN 33 CO -0.02 0.07 0.07 0.08 -0.55 0.00 0.00 175.29 174.94 1va9 s VAL 34 N 0.92 3.64 -0.01 1.34 1.01 -1.04 -0.26 120.40 126.00 1va9 s VAL 34 Ca 0.04 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1va9 s VAL 34 Cb -0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1va9 s VAL 34 CO 0.03 -0.07 -0.15 0.42 0.00 0.00 0.00 175.10 175.33 1va9 s THR 35 N 1.40 3.04 0.36 3.92 -4.23 -0.89 -2.09 115.64 117.16 1va9 s THR 35 Ca -0.01 -0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1va9 s THR 35 Cb -0.19 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1va9 s THR 35 CO 0.02 0.47 0.62 -1.66 -0.54 0.00 0.00 174.62 173.53 1va9 s TRP 36 N -0.84 0.61 0.18 3.99 -2.14 -1.06 -2.11 118.94 117.57 1va9 s TRP 36 Ca 0.13 -1.05 0.03 0.00 2.66 0.00 0.00 56.10 57.88 1va9 s TRP 36 Cb -0.11 0.35 -0.05 0.00 -3.10 0.00 0.00 33.47 30.57 1va9 s TRP 36 CO 0.03 -1.33 -0.03 0.15 -2.66 0.00 0.00 176.95 173.11 1va9 s LYS 37 N -2.75 1.15 0.15 3.25 1.02 0.50 -3.21 119.74 119.86 1va9 s LYS 37 Ca 0.23 -1.54 -0.32 0.00 0.02 0.00 0.00 55.97 54.36 1va9 s LYS 37 Cb -0.03 -0.47 -0.17 0.00 -0.52 0.00 0.00 37.83 36.64 1va9 s LYS 37 CO 0.16 -0.06 0.79 0.00 -0.92 0.00 0.00 175.35 175.32 1va9 n ALA 38 N -0.27 -2.67 -2.32 5.17 0.00 0.10 -1.02 120.51 119.49 1va9 n ALA 38 Ca -0.07 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1va9 n ALA 38 Cb 0.63 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.67 3.14 0.58 0.00 0.04 -1.26 -3.87 135.00 132.96 1va9 s PRO 39 Ca 0.72 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1va9 s PRO 39 Cb -1.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1va9 s PRO 39 CO 0.56 -2.13 0.00 1.63 0.04 0.00 0.00 177.00 177.10 1va9 n LYS 40 N 8.87 0.00 -0.02 4.56 4.01 -1.26 -3.16 118.16 131.16 1va9 n LYS 40 Ca 0.13 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.89 1va9 n LYS 40 Cb 0.50 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.00 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 -0.54 0.08 -0.79 1.97 3.00 -1.26 -4.51 118.16 116.10 1va9 n LYS 41 Ca 0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 58.31 58.18 1va9 n LYS 41 Cb 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 35.03 34.45 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 -3.12 1.80 0.00 1.64 0.28 -1.26 -3.86 120.64 116.12 1va9 n GLU 42 Ca -0.07 -1.78 0.00 0.00 -0.16 0.00 0.00 57.16 55.15 1va9 n GLU 42 Cb 0.55 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.73 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 -0.26 0.73 -0.32 -1.84 4.77 -1.26 -4.78 117.00 114.04 1va9 n LEU 43 Ca 0.35 0.00 0.30 0.00 -0.03 0.00 0.00 56.01 56.62 1va9 n LEU 43 Cb 0.98 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.60 1va9 n LEU 43 CO 0.39 -0.01 0.94 0.00 -1.33 0.00 0.00 177.39 177.38 1va9 n GLN 44 N -2.36 -0.04 -3.53 3.23 6.02 -1.19 -2.92 117.38 116.59 1va9 n GLN 44 Ca 0.00 1.12 -0.20 0.00 -0.01 0.00 0.00 57.00 57.91 1va9 n GLN 44 Cb 0.24 -2.08 0.06 0.00 1.02 0.00 0.00 30.24 29.48 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 -4.70 -2.79 0.00 1.08 3.02 -1.26 -4.20 115.26 106.41 1va9 n ASN 45 Ca 0.33 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1va9 n ASN 45 Cb 1.17 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -1.37 1.64 3.34 7.41 0.00 -1.26 -2.85 105.19 112.09 1va9 n GLY 46 Ca -0.24 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 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 1.32 0.00 -4.87 1.61 3.14 -1.26 -5.01 118.33 113.26 1va9 n VAL 47 Ca 0.00 -0.33 -0.31 0.00 -2.96 0.00 0.00 64.34 60.74 1va9 n VAL 47 Cb 0.00 -0.71 -0.14 0.00 -1.06 0.00 0.00 33.84 31.93 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 -2.29 2.61 -0.14 1.55 -1.09 -1.26 -4.93 121.20 115.65 1va9 s ILE 48 Ca 0.59 -1.10 0.13 0.00 -2.23 0.00 0.00 60.65 58.05 1va9 s ILE 48 Cb -0.16 -2.04 -0.24 0.00 -1.58 0.00 0.00 42.46 38.45 1va9 s ILE 48 CO 0.66 0.44 0.30 0.54 -1.23 0.00 0.00 174.94 175.66 1va9 n ARG 49 N 1.92 0.67 -3.21 2.79 5.12 -1.22 -4.84 116.66 117.89 1va9 n ARG 49 Ca -0.16 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1va9 n ARG 49 Cb 0.52 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1va9 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1va9 n GLY 50 N 1.72 -1.47 3.15 -0.13 0.00 -0.84 -2.91 105.19 104.71 1va9 n GLY 50 Ca -0.27 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 0.82 0.23 1.61 1.51 -0.91 0.12 117.35 118.73 1va9 s TYR 51 Ca 0.00 -1.00 0.08 0.00 -1.01 0.00 0.00 57.07 55.14 1va9 s TYR 51 Cb 0.00 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1va9 s TYR 51 CO 0.00 -0.26 0.03 -0.65 -1.11 0.00 0.00 175.55 173.56 1va9 s GLN 52 N -3.89 2.43 -0.27 -0.62 -0.21 0.71 -2.38 119.66 115.43 1va9 s GLN 52 Ca 0.13 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.21 1va9 s GLN 52 Cb 0.06 -2.29 0.09 0.00 1.00 0.00 0.00 33.01 31.87 1va9 s GLN 52 CO -0.05 0.40 0.12 0.42 -2.12 0.00 0.00 175.29 174.06 1va9 s ILE 53 N -2.10 -0.02 -0.34 1.08 1.09 -1.06 -2.47 121.20 117.37 1va9 s ILE 53 Ca 0.30 -0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 59.02 1va9 s ILE 53 Cb -0.08 -0.94 -0.01 0.00 -1.06 0.00 0.00 42.46 40.38 1va9 s ILE 53 CO 0.20 -0.64 0.42 -0.83 -0.10 0.00 0.00 174.94 173.99 1va9 s GLY 54 N 2.08 1.87 0.05 6.18 0.00 -1.15 -2.73 107.32 113.63 1va9 s GLY 54 Ca 0.08 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.75 1va9 s GLY 54 CO -0.31 1.09 -0.18 -2.52 0.00 0.00 0.00 173.10 171.18 1va9 s TYR 55 N 2.16 1.57 -0.24 1.90 1.13 -0.78 -0.40 117.35 122.69 1va9 s TYR 55 Ca 0.14 -0.38 -0.15 0.00 -1.41 0.00 0.00 57.07 55.27 1va9 s TYR 55 Cb -0.16 -0.92 0.07 0.00 -1.10 0.00 0.00 41.96 39.85 1va9 s TYR 55 CO 0.12 0.09 0.59 -0.98 -2.51 0.00 0.00 175.55 172.86 1va9 s ARG 56 N -1.31 0.62 -0.26 -3.49 1.70 -1.16 -0.91 118.95 114.14 1va9 s ARG 56 Ca 0.05 1.02 -0.43 0.00 -0.47 0.00 0.00 55.73 55.89 1va9 s ARG 56 Cb -0.09 0.14 -0.20 0.00 -0.57 0.00 0.00 34.95 34.24 1va9 s ARG 56 CO 0.02 -0.14 1.36 -1.91 -1.08 0.00 0.00 175.30 173.55 1va9 n GLU 57 N 3.94 0.05 -1.15 3.89 2.13 -1.26 -3.33 120.64 124.91 1va9 n GLU 57 Ca -0.19 0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.45 1va9 n GLU 57 Cb 0.57 -1.52 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 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 2.88 6.11 -4.92 4.31 2.85 -0.48 -4.79 115.26 121.21 1va9 n ASN 58 Ca 0.26 -2.95 -0.26 0.00 -0.11 0.00 0.00 54.58 51.52 1va9 n ASN 58 Cb 0.01 -1.22 -0.01 0.00 1.24 0.00 0.00 39.78 39.80 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 0.80 6.33 -0.68 1.20 0.01 -1.26 -4.78 113.70 115.32 1va9 s SER 59 Ca 0.49 0.62 -0.27 0.00 1.31 0.00 0.00 55.95 58.10 1va9 s SER 59 Cb 0.30 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1va9 s SER 59 CO -0.10 -0.33 1.57 -2.16 0.41 0.00 0.00 173.24 172.63 1va9 s PRO 60 N -4.21 2.91 0.00 12.44 0.04 -1.26 -3.22 135.00 141.70 1va9 s PRO 60 Ca 0.43 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1va9 s PRO 60 Cb -0.10 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1va9 s PRO 60 CO 0.36 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1va9 n GLY 61 N 5.56 0.53 3.96 0.56 0.00 -1.26 -5.11 105.19 109.43 1va9 n GLY 61 Ca 0.12 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1va9 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va9 s SER 62 N -1.64 4.76 0.15 1.61 0.01 -1.20 -4.99 113.70 112.40 1va9 s SER 62 Ca 0.00 0.08 -0.23 0.00 1.31 0.00 0.00 55.95 57.11 1va9 s SER 62 Cb 0.00 -0.72 0.01 0.00 0.21 0.00 0.00 66.02 65.53 1va9 s SER 62 CO 0.00 -1.57 1.63 0.78 0.41 0.00 0.00 173.24 174.49 1va9 h ASN 63 N -0.41 -0.81 0.00 2.44 4.21 -1.93 -3.47 115.58 115.61 1va9 h ASN 63 Ca -0.42 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1va9 h ASN 63 Cb 1.29 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 1va9 h ASN 63 CO 0.51 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.97 1va9 n GLY 64 N -1.38 3.02 3.71 2.83 0.00 -1.26 -5.05 105.19 107.06 1va9 n GLY 64 Ca -0.01 -0.84 -0.60 0.00 0.00 0.00 0.00 46.02 44.57 1va9 n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1va9 n GLN 65 N 0.00 0.91 -2.76 1.61 3.00 -1.26 -4.87 117.38 114.01 1va9 n GLN 65 Ca 0.00 0.33 -0.42 0.00 -0.01 0.00 0.00 57.00 56.90 1va9 n GLN 65 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 30.24 28.22 1va9 n GLN 65 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1va9 s TYR 66 N 3.60 3.53 -0.45 1.08 1.51 -1.26 -4.83 117.35 120.53 1va9 s TYR 66 Ca 1.00 1.52 -0.28 0.00 -1.01 0.00 0.00 57.07 58.31 1va9 s TYR 66 Cb -1.16 -3.11 -0.00 0.00 -0.11 0.00 0.00 41.96 37.58 1va9 s TYR 66 CO 0.69 -0.16 1.59 -1.12 -1.11 0.00 0.00 175.55 175.44 1va9 s SER 67 N 1.07 5.99 0.30 2.29 0.01 -0.09 -4.74 113.70 118.52 1va9 s SER 67 Ca 0.46 0.76 -0.19 0.00 1.31 0.00 0.00 55.95 58.30 1va9 s SER 67 Cb -0.18 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 1va9 s SER 67 CO 0.19 -1.72 0.78 -0.63 0.41 0.00 0.00 173.24 172.26 1va9 s ILE 68 N 6.56 4.55 -0.16 1.44 -1.09 -1.26 -1.87 121.20 129.37 1va9 s ILE 68 Ca 0.65 1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 60.27 1va9 s ILE 68 Cb -0.15 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.05 1va9 s ILE 68 CO 0.29 -0.01 0.16 0.68 -1.23 0.00 0.00 174.94 174.83 1va9 s VAL 69 N -1.79 -0.23 0.10 2.92 -7.23 -1.11 -4.94 120.40 108.13 1va9 s VAL 69 Ca 0.50 -0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.39 1va9 s VAL 69 Cb -0.13 -0.54 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 1va9 s VAL 69 CO 0.19 -0.13 0.87 -0.70 -0.31 0.00 0.00 175.10 175.02 1va9 s GLU 70 N 2.26 4.63 0.01 4.82 -6.30 -1.26 -2.57 118.70 120.28 1va9 s GLU 70 Ca 0.04 1.29 -0.07 0.00 -2.50 0.00 0.00 54.97 53.74 1va9 s GLU 70 Cb -0.15 -3.35 -0.00 0.00 0.00 0.00 0.00 34.13 30.63 1va9 s GLU 70 CO -0.09 0.30 0.13 0.00 0.02 0.00 0.00 175.26 175.61 1va9 s MET 71 N -0.23 0.52 0.75 4.30 0.23 -1.00 -5.04 119.30 118.82 1va9 s MET 71 Ca 0.42 -0.51 -0.11 0.00 -1.03 0.00 0.00 55.69 54.47 1va9 s MET 71 Cb -0.23 0.21 0.04 0.00 -1.53 0.00 0.00 34.83 33.33 1va9 s MET 71 CO 0.27 -0.13 1.08 0.15 -2.03 0.00 0.00 175.02 174.36 1va9 s LYS 72 N -1.77 2.49 -0.15 3.16 -0.14 -1.26 -2.14 119.74 119.92 1va9 s LYS 72 Ca -0.12 1.02 -0.16 0.00 -1.36 0.00 0.00 55.97 55.36 1va9 s LYS 72 Cb -0.06 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 1va9 s LYS 72 CO -0.00 -1.44 0.38 0.00 -0.76 0.00 0.00 175.35 173.53 1va9 s ALA 73 N -2.98 3.54 -0.59 5.17 0.00 -1.15 -4.65 121.76 121.09 1va9 s ALA 73 Ca 0.60 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 1va9 s ALA 73 Cb -0.16 -2.53 0.47 0.00 0.00 0.00 0.00 23.12 20.90 1va9 s ALA 73 CO 0.56 -0.01 1.90 0.25 0.00 0.00 0.00 175.76 178.45 1va9 n THR 74 N 3.75 3.43 0.00 0.00 -2.24 -1.26 -4.97 114.28 112.99 1va9 n THR 74 Ca -0.09 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 58.65 1va9 n THR 74 Cb 0.52 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1va9 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1va9 n GLY 75 N -0.91 -0.69 0.27 3.38 0.00 -1.26 -4.51 105.19 101.47 1va9 n GLY 75 Ca 0.60 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 0.86 -3.20 1.61 5.19 -1.98 -3.41 116.42 115.49 1va9 h ASP 76 Ca 0.00 -0.20 -0.60 0.00 -0.62 0.00 0.00 57.03 55.61 1va9 h ASP 76 Cb 0.00 -0.23 -0.10 0.00 0.18 0.00 0.00 39.33 39.18 1va9 h ASP 76 CO 0.00 0.83 -0.38 -0.94 -3.12 0.00 0.00 179.24 175.63 1va9 s SER 77 N -6.19 6.39 0.02 6.45 1.04 -1.26 0.00 113.70 120.15 1va9 s SER 77 Ca -0.13 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1va9 s SER 77 Cb 0.13 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.08 1va9 s SER 77 CO 0.81 0.17 -0.07 -1.61 0.98 0.00 0.00 173.24 173.51 1va9 s GLU 78 N 0.18 0.51 0.01 4.02 8.01 -1.20 -4.32 118.70 125.91 1va9 s GLU 78 Ca 0.14 -0.51 -0.04 0.00 0.01 0.00 0.00 54.97 54.58 1va9 s GLU 78 Cb -0.13 -0.38 -0.01 0.00 -4.31 0.00 0.00 34.13 29.30 1va9 s GLU 78 CO 0.03 0.09 0.06 0.54 0.01 0.00 0.00 175.26 175.98 1va9 s VAL 79 N -0.80 0.09 -0.02 2.63 0.11 -1.26 -2.55 120.40 118.60 1va9 s VAL 79 Ca -0.04 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1va9 s VAL 79 Cb -0.06 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1va9 s VAL 79 CO 0.00 -0.42 0.02 -0.47 -3.33 0.00 0.00 175.10 170.90 1va9 s TYR 80 N -1.37 0.11 -0.67 1.54 5.04 -0.89 -5.00 117.35 116.11 1va9 s TYR 80 Ca -0.15 0.10 -0.24 0.00 -2.44 0.00 0.00 57.07 54.34 1va9 s TYR 80 Cb -0.08 -0.29 0.05 0.00 0.35 0.00 0.00 41.96 41.99 1va9 s TYR 80 CO 0.00 -0.10 1.06 0.99 -1.34 0.00 0.00 175.55 176.16 1va9 s THR 81 N 1.09 4.14 -0.52 4.34 2.01 -1.26 -2.50 115.64 122.94 1va9 s THR 81 Ca -0.09 -0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 1va9 s THR 81 Cb -0.13 -4.75 0.03 0.00 0.01 0.00 0.00 72.50 67.66 1va9 s THR 81 CO -0.03 -1.55 1.11 -0.76 -0.69 0.00 0.00 174.62 172.70 1va9 s LEU 82 N 4.59 3.66 0.00 4.42 1.43 -0.31 -4.92 118.68 127.55 1va9 s LEU 82 Ca 0.27 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1va9 s LEU 82 Cb -0.14 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.81 1va9 s LEU 82 CO 0.13 -1.30 0.32 -0.90 0.23 0.00 0.00 176.35 174.82 1va9 n ASP 83 N 7.93 1.16 -3.16 2.29 5.68 -1.26 -0.53 116.55 128.65 1va9 n ASP 83 Ca 0.09 -1.73 -0.15 0.00 -0.50 0.00 0.00 54.79 52.50 1va9 n ASP 83 Cb 0.49 -0.15 0.07 0.00 -1.14 0.00 0.00 41.12 40.39 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 -2.51 -4.10 -4.58 -1.12 3.02 -0.74 -4.88 115.26 100.35 1va9 n ASN 84 Ca 0.05 -0.61 -0.27 0.00 -0.03 0.00 0.00 54.58 53.73 1va9 n ASN 84 Cb 0.27 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.64 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 -3.48 0.00 -4.92 3.41 4.77 -0.60 -5.00 117.00 111.17 1va9 n LEU 85 Ca -0.17 -2.80 -0.26 0.00 -0.03 0.00 0.00 56.01 52.76 1va9 n LEU 85 Cb 0.63 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1va9 n LEU 85 CO 0.55 -0.51 -0.11 -0.75 -1.33 0.00 0.00 177.39 175.24 1va9 s LYS 86 N -3.94 3.36 0.11 3.23 2.20 -1.26 -4.66 119.74 118.78 1va9 s LYS 86 Ca 0.17 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1va9 s LYS 86 Cb -0.01 -2.92 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 1va9 s LYS 86 CO 0.11 0.51 0.96 0.15 -0.36 0.00 0.00 175.35 176.72 1va9 s LYS 87 N -3.24 4.70 -0.96 4.03 1.02 -1.26 -4.08 119.74 119.95 1va9 s LYS 87 Ca 0.34 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 57.66 1va9 s LYS 87 Cb -0.11 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1va9 s LYS 87 CO 0.28 0.22 0.63 0.34 -0.92 0.00 0.00 175.35 175.89 1va9 n PHE 88 N 2.77 -1.80 -3.77 3.18 7.35 -0.46 -4.96 117.46 119.77 1va9 n PHE 88 Ca 0.02 0.56 -0.13 0.00 -0.76 0.00 0.00 57.45 57.15 1va9 n PHE 88 Cb 0.49 -2.74 -0.10 0.00 0.35 0.00 0.00 39.48 37.47 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 -3.17 -0.77 0.29 3.13 0.00 -1.26 -4.91 121.76 115.07 1va9 s ALA 89 Ca 0.17 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1va9 s ALA 89 Cb -0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 1va9 s ALA 89 CO 0.93 -0.17 1.09 -1.14 0.00 0.00 0.00 175.76 176.46 1va9 s GLN 90 N -0.15 4.59 -0.05 0.00 0.74 -1.26 -2.24 119.66 121.29 1va9 s GLN 90 Ca -0.03 1.75 -0.02 0.00 0.05 0.00 0.00 55.36 57.11 1va9 s GLN 90 Cb -0.03 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 31.01 1va9 s GLN 90 CO 0.01 0.18 0.09 0.71 -0.55 0.00 0.00 175.29 175.73 1va9 s TYR 91 N -1.23 -0.04 -0.30 1.67 2.02 -1.26 -1.39 117.35 116.83 1va9 s TYR 91 Ca 0.46 0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 57.40 1va9 s TYR 91 Cb -0.30 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1va9 s TYR 91 CO 0.39 -0.18 0.16 0.20 -1.57 0.00 0.00 175.55 174.55 1va9 s GLY 92 N 1.80 1.88 0.23 0.71 0.00 -1.21 -3.12 107.32 107.61 1va9 s GLY 92 Ca -0.01 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.47 1va9 s GLY 92 CO -0.04 0.68 -0.10 0.54 0.00 0.00 0.00 173.10 174.18 1va9 s VAL 93 N 1.65 1.61 0.45 1.40 0.11 -1.22 -2.98 120.40 121.43 1va9 s VAL 93 Ca 0.05 -2.16 0.03 0.00 -2.93 0.00 0.00 61.98 56.97 1va9 s VAL 93 Cb -0.17 -2.19 -0.02 0.00 -1.53 0.00 0.00 36.38 32.47 1va9 s VAL 93 CO 0.07 -0.48 0.09 0.68 -3.33 0.00 0.00 175.10 172.13 1va9 s VAL 94 N -3.05 0.75 -0.09 2.04 -7.23 0.47 -3.03 120.40 110.26 1va9 s VAL 94 Ca 0.25 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1va9 s VAL 94 Cb 0.01 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1va9 s VAL 94 CO 0.08 0.00 0.27 -0.69 -0.31 0.00 0.00 175.10 174.46 1va9 s VAL 95 N -3.09 0.01 -0.05 1.32 1.01 -1.26 -2.93 120.40 115.41 1va9 s VAL 95 Ca 0.17 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1va9 s VAL 95 Cb 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1va9 s VAL 95 CO 0.11 -0.04 0.38 0.00 0.00 0.00 0.00 175.10 175.55 1va9 s GLN 96 N -0.03 0.68 -0.01 2.72 -2.07 -1.03 -2.25 119.66 117.67 1va9 s GLN 96 Ca -0.02 0.04 -0.17 0.00 -1.82 0.00 0.00 55.36 53.38 1va9 s GLN 96 Cb -0.02 0.31 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 1va9 s GLN 96 CO 0.01 -0.18 0.49 0.00 -1.32 0.00 0.00 175.29 174.29 1va9 s ALA 97 N -0.98 3.59 -0.06 2.60 0.00 -1.26 -0.21 121.76 125.44 1va9 s ALA 97 Ca -0.10 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1va9 s ALA 97 Cb -0.04 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1va9 s ALA 97 CO 0.04 0.30 -0.11 -0.59 0.00 0.00 0.00 175.76 175.40 1va9 s PHE 98 N -0.53 1.34 0.47 0.00 -0.12 0.12 -0.93 117.98 118.33 1va9 s PHE 98 Ca 0.26 -0.46 0.02 0.00 -0.05 0.00 0.00 56.93 56.71 1va9 s PHE 98 Cb -0.17 -0.99 -0.02 0.00 -0.63 0.00 0.00 43.02 41.21 1va9 s PHE 98 CO 0.14 -0.24 0.06 0.54 -0.05 0.00 0.00 175.22 175.68 1va9 s ASN 99 N 0.58 3.57 0.38 1.98 2.20 0.25 -1.98 114.94 121.92 1va9 s ASN 99 Ca -0.12 -1.67 0.27 0.00 -0.94 0.00 0.00 52.86 50.40 1va9 s ASN 99 Cb -0.14 0.52 1.31 0.00 -2.00 0.00 0.00 41.25 40.94 1va9 s ASN 99 CO 0.03 -0.89 1.83 0.03 -2.94 0.00 0.00 177.10 175.16 1va9 h ARG 100 N 1.53 0.00 0.00 3.55 2.47 -1.93 -0.24 114.38 119.77 1va9 h ARG 100 Ca -0.40 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.18 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 2.10 0.62 0.00 0.04 0.00 -1.83 -3.50 119.26 116.69 1va9 h ALA 101 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1va9 h ALA 101 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1va9 h ALA 101 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1va9 n GLY 102 N 1.29 -0.03 3.59 0.00 0.00 -0.10 -4.32 105.19 105.62 1va9 n GLY 102 Ca -0.01 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.81 3.26 0.57 2.61 2.01 -1.26 0.85 115.64 120.87 1va9 s THR 103 Ca 0.00 -1.76 0.08 0.00 0.31 0.00 0.00 61.69 60.32 1va9 s THR 103 Cb 0.00 -2.66 0.07 0.00 0.01 0.00 0.00 72.50 69.92 1va9 s THR 103 CO 0.00 -0.20 0.65 -0.83 -0.69 0.00 0.00 174.62 173.54 1va9 s GLY 104 N -3.12 1.99 0.62 4.40 0.00 -0.11 -4.46 107.32 106.64 1va9 s GLY 104 Ca 0.27 -1.78 -0.14 0.00 0.00 0.00 0.00 44.72 43.07 1va9 s GLY 104 CO 0.17 -1.81 1.05 2.56 0.00 0.00 0.00 173.10 175.07 1va9 s PRO 105 N -4.53 3.23 0.97 2.90 0.04 -1.25 -4.71 135.00 131.65 1va9 s PRO 105 Ca 0.50 1.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1va9 s PRO 105 Cb -0.04 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.65 1va9 s PRO 105 CO 0.32 -0.87 1.18 -1.54 0.04 0.00 0.00 177.00 176.12 1va9 s SER 106 N -3.17 3.02 0.28 6.66 1.04 -1.26 -3.87 113.70 116.40 1va9 s SER 106 Ca 0.61 0.74 0.08 0.00 0.48 0.00 0.00 55.95 57.86 1va9 s SER 106 Cb -0.15 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1va9 s SER 106 CO 0.43 -2.83 0.16 -0.94 0.98 0.00 0.00 173.24 171.04 1va9 s SER 107 N -4.23 5.15 -0.48 7.02 1.04 -0.95 -4.53 113.70 116.72 1va9 s SER 107 Ca 0.67 -0.45 -0.45 0.00 0.48 0.00 0.00 55.95 56.20 1va9 s SER 107 Cb -0.11 -1.11 -0.19 0.00 0.10 0.00 0.00 66.02 64.71 1va9 s SER 107 CO 0.53 -0.12 1.79 -1.20 0.98 0.00 0.00 173.24 175.23 1va9 n SER 108 N -1.14 1.20 -4.63 7.02 7.64 -1.26 -4.64 113.62 117.80 1va9 n SER 108 Ca -0.06 1.01 -0.51 0.00 1.01 0.00 0.00 58.87 60.32 1va9 n SER 108 Cb 0.59 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 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 5.27 1.50 -3.72 1.43 2.13 -1.26 -4.97 120.64 121.02 1va9 n GLU 109 Ca 0.38 0.54 -0.24 0.00 0.66 0.00 0.00 57.16 58.50 1va9 n GLU 109 Cb -0.03 -2.24 -0.01 0.00 0.27 0.00 0.00 31.44 29.43 1va9 n GLU 109 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1va9 n ILE 110 N 3.19 0.00 -3.67 6.31 -5.35 -1.17 -5.01 119.36 113.66 1va9 n ILE 110 Ca 0.19 -2.00 -0.10 0.00 -0.27 0.00 0.00 62.75 60.57 1va9 n ILE 110 Cb 0.22 -0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.06 1va9 n ILE 110 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1va9 s ASN 111 N -3.87 -0.18 -0.31 7.28 2.20 -1.26 -3.37 114.94 115.43 1va9 s ASN 111 Ca 0.24 -0.34 -0.07 0.00 -0.94 0.00 0.00 52.86 51.75 1va9 s ASN 111 Cb -0.02 0.44 0.19 0.00 -2.00 0.00 0.00 41.25 39.86 1va9 s ASN 111 CO 0.15 -0.81 0.95 0.00 -2.94 0.00 0.00 177.10 174.46 1va9 s ALA 112 N -3.67 -3.81 -0.20 3.54 0.00 -1.18 -4.68 121.76 111.76 1va9 s ALA 112 Ca 0.02 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1va9 s ALA 112 Cb 0.02 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1va9 s ALA 112 CO -0.11 -2.20 1.78 0.99 0.00 0.00 0.00 175.76 176.23 1va9 s THR 113 N 2.54 3.47 0.79 0.00 2.01 -1.26 -4.11 115.64 119.08 1va9 s THR 113 Ca 0.21 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 1va9 s THR 113 Cb -0.02 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 1va9 s THR 113 CO -0.19 -0.22 0.08 0.35 -0.69 0.00 0.00 174.62 173.95 1va9 n THR 114 N 6.62 0.74 -0.62 -0.82 -2.24 -0.95 -4.80 114.28 112.22 1va9 n THR 114 Ca 0.21 -0.40 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1va9 n THR 114 Cb 0.45 -0.42 0.13 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.87 -1.76 -0.62 3.22 7.99 -1.26 -3.85 117.00 121.59 1va9 n LEU 115 Ca 0.06 -0.27 0.12 0.00 -0.01 0.00 0.00 56.01 55.91 1va9 n LEU 115 Cb 0.52 -0.76 0.15 0.00 -0.11 0.00 0.00 43.42 43.21 1va9 n LEU 115 CO 0.52 -3.06 0.53 1.21 -1.51 0.00 0.00 177.39 175.08 1va9 n GLU 116 N -1.19 1.60 -1.77 3.23 2.13 -1.26 -1.36 120.64 122.03 1va9 n GLU 116 Ca 0.04 -1.25 0.00 0.00 0.66 0.00 0.00 57.16 56.61 1va9 n GLU 116 Cb 0.43 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1va9 n GLU 116 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1va9 n SER 117 N 0.39 -8.14 -2.22 4.31 2.88 -1.26 -4.78 113.62 104.79 1va9 n SER 117 Ca 0.12 1.18 -0.09 0.00 -1.33 0.00 0.00 58.87 58.76 1va9 n SER 117 Cb 0.48 -4.42 -0.02 0.00 -0.75 0.00 0.00 64.21 59.51 1va9 n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va9 n GLY 118 N 1.24 2.44 3.55 0.46 0.00 -1.26 -5.09 105.19 106.54 1va9 n GLY 118 Ca 0.00 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.47 2.98 -0.01 1.61 0.04 -1.26 -4.42 135.00 131.48 1va9 s PRO 119 Ca 0.17 -0.18 -0.00 0.00 0.04 0.00 0.00 61.00 61.04 1va9 s PRO 119 Cb -0.01 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1va9 s PRO 119 CO 0.12 -2.57 0.00 0.45 0.04 0.00 0.00 177.00 175.05 1va9 n SER 120 N 11.15 -6.65 -4.62 6.66 2.88 -1.26 -4.82 113.62 116.97 1va9 n SER 120 Ca 0.21 0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 57.79 1va9 n SER 120 Cb 0.50 -1.63 -0.04 0.00 -0.75 0.00 0.00 64.21 62.29 1va9 n SER 120 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1va9 s SER 121 N -0.94 6.73 0.00 -3.46 0.01 -1.26 -5.27 113.70 109.51 1va9 s SER 121 Ca -0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1va9 s SER 121 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1va9 s SER 121 CO 0.01 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.53