#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 s SER 2 N 0.00 -0.41 -0.13 1.61 0.15 -1.26 -5.18 113.70 108.48 1va8 s SER 2 Ca 0.00 0.47 -0.33 0.00 0.70 0.00 0.00 55.95 56.79 1va8 s SER 2 Cb 0.00 1.43 0.13 0.00 -1.71 0.00 0.00 66.02 65.87 1va8 s SER 2 CO 0.00 -0.08 1.13 -0.44 1.20 0.00 0.00 173.24 175.05 1va8 s SER 3 N 2.48 -0.19 0.00 5.45 0.01 -1.26 -5.17 113.70 115.02 1va8 s SER 3 Ca -0.01 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1va8 s SER 3 Cb -0.06 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1va8 s SER 3 CO -0.15 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1va8 n GLY 4 N -0.15 1.01 2.05 3.44 0.00 -1.26 -5.11 105.19 105.17 1va8 n GLY 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1va8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1va8 n SER 5 N 0.00 -0.99 -2.18 1.61 2.88 -1.26 -5.15 113.62 108.53 1va8 n SER 5 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1va8 n SER 5 Cb 0.00 1.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1va8 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va8 n SER 6 N -3.06 -9.27 0.00 -3.46 7.64 -1.26 -5.00 113.62 99.20 1va8 n SER 6 Ca 0.00 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1va8 n SER 6 Cb 0.00 -5.18 0.00 0.00 -1.01 0.00 0.00 64.21 58.02 1va8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 7 N 1.92 0.53 3.57 0.23 0.00 -1.26 -4.94 105.19 105.23 1va8 n GLY 7 Ca 0.00 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 1va8 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va8 s PRO 8 N -0.81 3.18 0.04 1.61 0.04 -1.26 -4.95 135.00 132.85 1va8 s PRO 8 Ca 0.00 -1.18 -0.22 0.00 0.04 0.00 0.00 61.00 59.65 1va8 s PRO 8 Cb 0.00 -5.31 -0.06 0.00 0.04 0.00 0.00 34.50 29.17 1va8 s PRO 8 CO 0.00 -2.95 0.64 0.42 0.04 0.00 0.00 177.00 175.15 1va8 s ILE 9 N 7.51 4.79 0.00 0.56 1.01 -1.26 -4.93 121.20 128.87 1va8 s ILE 9 Ca 0.59 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1va8 s ILE 9 Cb -0.01 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1va8 s ILE 9 CO 0.03 0.45 0.00 0.35 0.00 0.00 0.00 174.94 175.77 1va8 n THR 10 N 2.42 0.00 -3.54 2.92 -2.24 -1.26 -4.19 114.28 108.39 1va8 n THR 10 Ca -0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 1va8 n THR 10 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1va8 s ASP 11 N -4.00 5.87 -1.54 3.42 1.11 -1.26 -4.96 116.67 115.30 1va8 s ASP 11 Ca 0.00 -2.56 -0.11 0.00 0.18 0.00 0.00 52.55 50.06 1va8 s ASP 11 Cb 0.00 -2.01 -0.06 0.00 1.07 0.00 0.00 42.92 41.92 1va8 s ASP 11 CO 0.00 -0.52 2.73 -1.84 1.18 0.00 0.00 175.17 176.72 1va8 n GLU 12 N 4.01 3.38 -2.88 8.23 0.28 -1.26 -4.42 120.64 127.98 1va8 n GLU 12 Ca 0.06 -2.26 -0.12 0.00 -0.16 0.00 0.00 57.16 54.68 1va8 n GLU 12 Cb 0.42 -2.91 0.02 0.00 1.43 0.00 0.00 31.44 30.39 1va8 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1va8 n ARG 13 N 4.29 0.75 -0.62 3.44 1.85 -1.26 -4.92 116.66 120.20 1va8 n ARG 13 Ca 0.70 -2.16 -0.00 0.00 -1.00 0.00 0.00 57.85 55.39 1va8 n ARG 13 Cb 0.27 -1.40 -0.01 0.00 -1.05 0.00 0.00 32.46 30.27 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1va8 n VAL 14 N 1.61 0.00 -1.78 8.89 0.31 -1.26 -4.95 118.33 121.15 1va8 n VAL 14 Ca 0.13 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 64.05 1va8 n VAL 14 Cb 0.60 0.29 -0.01 0.00 -0.91 0.00 0.00 33.84 33.81 1va8 n VAL 14 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1va8 n TYR 15 N 0.03 2.28 -0.77 3.52 4.02 -1.26 -4.94 117.16 120.03 1va8 n TYR 15 Ca -0.02 -2.21 0.00 0.00 -0.01 0.00 0.00 57.90 55.66 1va8 n TYR 15 Cb 0.63 -1.34 0.00 0.00 -0.02 0.00 0.00 39.34 38.61 1va8 n TYR 15 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1va8 n GLU 16 N 0.38 -2.19 -1.65 -0.72 1.02 -1.26 -4.84 120.64 111.36 1va8 n GLU 16 Ca 0.52 1.64 -0.45 0.00 -0.02 0.00 0.00 57.16 58.86 1va8 n GLU 16 Cb 0.38 -1.87 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 1va8 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1va8 n SER 17 N -1.09 2.33 -4.87 1.62 7.64 -1.26 -4.97 113.62 113.03 1va8 n SER 17 Ca 0.00 1.16 -0.33 0.00 1.01 0.00 0.00 58.87 60.71 1va8 n SER 17 Cb 0.03 -1.39 -0.05 0.00 -1.01 0.00 0.00 64.21 61.78 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1va8 s ILE 18 N -0.50 5.23 0.07 0.44 1.09 -1.26 -5.02 121.20 121.24 1va8 s ILE 18 Ca 0.64 -0.25 -0.27 0.00 -1.10 0.00 0.00 60.65 59.67 1va8 s ILE 18 Cb -0.66 -3.43 -0.17 0.00 -1.06 0.00 0.00 42.46 37.13 1va8 s ILE 18 CO 0.55 0.32 1.63 1.23 -0.10 0.00 0.00 174.94 178.57 1va8 h GLY 19 N 3.86 -0.42 -7.53 6.18 0.00 -1.93 -3.38 103.07 99.85 1va8 h GLY 19 Ca -0.49 0.15 -0.48 0.00 0.00 0.00 0.00 47.33 46.51 1va8 h GLY 19 CO 0.67 -0.15 1.47 -1.58 0.00 0.00 0.00 176.54 176.96 1va8 s HIS 20 N -5.91 1.41 -0.32 5.60 5.65 -1.26 -3.93 115.29 116.52 1va8 s HIS 20 Ca -0.15 1.12 -0.11 0.00 0.25 0.00 0.00 55.06 56.17 1va8 s HIS 20 Cb 0.04 -3.87 -0.01 0.00 -1.18 0.00 0.00 32.58 27.56 1va8 s HIS 20 CO 0.63 -2.42 0.18 0.71 -0.65 0.00 0.00 174.74 173.20 1va8 s TYR 21 N 10.41 3.20 0.00 3.88 1.51 -1.26 -4.99 117.35 130.10 1va8 s TYR 21 Ca 0.80 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1va8 s TYR 21 Cb -0.15 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 1va8 s TYR 21 CO 0.23 -0.40 0.00 0.41 -1.11 0.00 0.00 175.55 174.68 1va8 n GLY 22 N 5.03 1.74 2.41 0.71 0.00 -1.26 -0.10 105.19 113.72 1va8 n GLY 22 Ca -0.13 0.44 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1va8 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va8 n GLY 23 N 0.00 6.07 0.00 -0.02 0.00 -1.26 -5.02 105.19 104.95 1va8 n GLY 23 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.27 1va8 n GLY 23 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va8 n GLU 24 N -0.52 0.00 -3.85 1.61 0.28 0.85 -5.16 120.64 113.85 1va8 n GLU 24 Ca 0.40 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 57.19 1va8 n GLU 24 Cb 0.70 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.40 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1va8 s THR 25 N -2.21 0.32 0.07 3.84 -4.23 -1.26 -4.01 115.64 108.16 1va8 s THR 25 Ca 0.00 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 1va8 s THR 25 Cb 0.00 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 1va8 s THR 25 CO 0.00 0.23 0.02 0.68 -0.54 0.00 0.00 174.62 175.01 1va8 s VAL 26 N 1.67 4.18 -0.21 2.29 -7.23 -1.25 -4.79 120.40 115.06 1va8 s VAL 26 Ca 0.00 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 1va8 s VAL 26 Cb -0.13 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 1va8 s VAL 26 CO -0.04 0.16 0.04 -0.75 -0.31 0.00 0.00 175.10 174.20 1va8 s LYS 27 N -2.22 3.72 -0.15 4.82 2.20 0.19 -4.94 119.74 123.35 1va8 s LYS 27 Ca 0.26 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.30 1va8 s LYS 27 Cb -0.12 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1va8 s LYS 27 CO 0.18 0.02 0.20 0.42 -0.36 0.00 0.00 175.35 175.81 1va8 s ILE 28 N 1.03 5.38 -0.09 5.43 1.09 -1.26 -0.70 121.20 132.08 1va8 s ILE 28 Ca 0.03 0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.90 1va8 s ILE 28 Cb -0.14 -3.52 0.04 0.00 -1.06 0.00 0.00 42.46 37.79 1va8 s ILE 28 CO 0.02 0.48 0.12 0.68 -0.10 0.00 0.00 174.94 176.14 1va8 s VAL 29 N -0.09 -0.18 -0.38 2.92 -7.23 0.33 -4.96 120.40 110.81 1va8 s VAL 29 Ca 0.14 0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 1va8 s VAL 29 Cb -0.12 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.53 1va8 s VAL 29 CO 0.02 0.08 0.68 -0.13 -0.31 0.00 0.00 175.10 175.45 1va8 s ARG 30 N 2.23 3.61 -0.11 4.82 0.52 -1.26 -0.72 118.95 128.04 1va8 s ARG 30 Ca 0.04 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.27 1va8 s ARG 30 Cb -0.13 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.47 1va8 s ARG 30 CO -0.05 -0.84 -0.05 0.42 0.02 0.00 0.00 175.30 174.80 1va8 s ILE 31 N 2.87 3.82 -0.28 1.52 1.01 -0.55 -4.87 121.20 124.71 1va8 s ILE 31 Ca 0.26 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1va8 s ILE 31 Cb -0.14 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1va8 s ILE 31 CO 0.17 0.55 0.45 -1.61 0.00 0.00 0.00 174.94 174.50 1va8 s GLU 32 N -0.27 3.95 -0.17 2.79 2.02 -1.26 -0.54 118.70 125.23 1va8 s GLU 32 Ca 0.04 0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1va8 s GLU 32 Cb -0.13 -3.69 0.03 0.00 0.10 0.00 0.00 34.13 30.44 1va8 s GLU 32 CO 0.02 -0.38 -0.15 0.15 0.02 0.00 0.00 175.26 174.93 1va8 s LYS 33 N 2.21 2.42 1.21 1.61 1.02 -0.97 -4.91 119.74 122.33 1va8 s LYS 33 Ca 0.18 -0.68 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 1va8 s LYS 33 Cb -0.16 -2.28 0.31 0.00 -0.52 0.00 0.00 37.83 35.18 1va8 s LYS 33 CO 0.10 -0.27 1.01 0.00 -0.92 0.00 0.00 175.35 175.28 1va8 s ALA 34 N 1.42 -0.83 -1.93 5.17 0.00 -1.26 0.24 121.76 124.57 1va8 s ALA 34 Ca 0.04 -0.15 0.23 0.00 0.00 0.00 0.00 51.96 52.07 1va8 s ALA 34 Cb -0.14 -3.25 1.33 0.00 0.00 0.00 0.00 23.12 21.06 1va8 s ALA 34 CO -0.11 -4.09 1.73 0.54 0.00 0.00 0.00 175.76 173.83 1va8 n ARG 35 N -5.09 0.66 -1.90 0.00 1.74 -1.26 -2.74 116.66 108.08 1va8 n ARG 35 Ca 0.02 0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1va8 n ARG 35 Cb 0.54 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1va8 n ASP 36 N -1.04 0.32 -4.24 0.55 5.68 -1.26 -5.06 116.55 111.51 1va8 n ASP 36 Ca 0.16 -2.04 -0.33 0.00 -0.50 0.00 0.00 54.79 52.09 1va8 n ASP 36 Cb 0.09 -0.06 -0.16 0.00 -1.14 0.00 0.00 41.12 39.85 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1va8 s ILE 37 N -0.93 2.43 0.75 2.12 -1.09 -1.11 -5.12 121.20 118.24 1va8 s ILE 37 Ca 0.21 -0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 1va8 s ILE 37 Cb 0.29 -1.99 0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1va8 s ILE 37 CO -0.09 0.53 1.08 -2.16 -1.23 0.00 0.00 174.94 173.07 1va8 s PRO 38 N 0.70 2.52 -0.04 2.79 0.04 -1.26 -4.55 135.00 135.19 1va8 s PRO 38 Ca -0.09 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 1va8 s PRO 38 Cb -0.16 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.23 1va8 s PRO 38 CO 0.01 -1.35 1.11 1.25 0.04 0.00 0.00 177.00 178.06 1va8 h LEU 39 N -0.90 -0.05 -0.29 -3.56 5.85 -1.97 -3.10 115.31 111.29 1va8 h LEU 39 Ca -0.45 -0.52 -0.17 0.00 0.84 0.00 0.00 57.88 57.58 1va8 h LEU 39 Cb 1.24 0.01 0.04 0.00 0.37 0.00 0.00 40.66 42.32 1va8 h LEU 39 CO 0.58 0.52 -0.26 0.61 -0.34 0.00 0.00 178.44 179.55 1va8 n GLY 40 N 0.49 0.24 2.90 3.75 0.00 -1.26 -1.09 105.19 110.23 1va8 n GLY 40 Ca -0.09 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1va8 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va8 s ALA 41 N -2.92 -0.29 0.33 4.61 0.00 -1.26 0.15 121.76 122.37 1va8 s ALA 41 Ca 0.17 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 1va8 s ALA 41 Cb -0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 1va8 s ALA 41 CO 0.21 -0.56 0.73 0.99 0.00 0.00 0.00 175.76 177.13 1va8 s THR 42 N 2.25 4.71 -0.01 0.00 2.01 0.48 -4.94 115.64 120.14 1va8 s THR 42 Ca 0.02 0.88 -0.03 0.00 0.31 0.00 0.00 61.69 62.87 1va8 s THR 42 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1va8 s THR 42 CO -0.07 -0.22 0.07 0.68 -0.69 0.00 0.00 174.62 174.39 1va8 s VAL 43 N -2.03 0.04 0.35 3.82 -7.23 -1.26 0.16 120.40 114.24 1va8 s VAL 43 Ca 0.53 -0.31 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1va8 s VAL 43 Cb -0.10 -0.20 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 1va8 s VAL 43 CO 0.19 -0.17 0.43 0.00 -0.31 0.00 0.00 175.10 175.25 1va8 s ARG 44 N -0.52 2.97 -0.58 4.82 3.03 0.58 -4.69 118.95 124.56 1va8 s ARG 44 Ca -0.06 -1.13 -0.17 0.00 2.03 0.00 0.00 55.73 56.40 1va8 s ARG 44 Cb -0.04 -2.71 0.12 0.00 -1.03 0.00 0.00 34.95 31.29 1va8 s ARG 44 CO 0.00 0.03 0.62 -0.80 -1.13 0.00 0.00 175.30 174.02 1va8 s ASN 45 N -4.15 6.21 0.69 -2.89 0.02 -1.26 -3.00 114.94 110.57 1va8 s ASN 45 Ca 0.45 -1.64 -0.11 0.00 -1.02 0.00 0.00 52.86 50.55 1va8 s ASN 45 Cb -0.08 -2.26 0.02 0.00 0.02 0.00 0.00 41.25 38.94 1va8 s ASN 45 CO 0.30 -0.99 1.07 -1.61 0.02 0.00 0.00 177.10 175.90 1va8 s GLU 46 N 2.13 2.84 0.00 -0.60 0.41 0.88 -4.89 118.70 119.47 1va8 s GLU 46 Ca 0.08 0.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 1va8 s GLU 46 Cb -0.26 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1va8 s GLU 46 CO 0.04 -1.00 0.00 -1.33 -0.49 0.00 0.00 175.26 172.48 1va8 n MET 47 N -2.96 0.00 -0.71 1.61 2.81 -1.26 -2.43 117.12 114.19 1va8 n MET 47 Ca 0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 1va8 n MET 47 Cb 0.57 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.07 1va8 n MET 47 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1va8 n ASP 48 N -3.85 -0.11 -4.16 7.83 8.00 -1.26 -5.05 116.55 117.94 1va8 n ASP 48 Ca 0.00 -1.53 -0.15 0.00 0.71 0.00 0.00 54.79 53.82 1va8 n ASP 48 Cb 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 1va8 n ASP 48 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1va8 s SER 49 N -0.63 1.41 -0.61 -2.24 0.01 -1.02 -0.89 113.70 109.73 1va8 s SER 49 Ca 0.03 -0.74 -0.14 0.00 1.31 0.00 0.00 55.95 56.42 1va8 s SER 49 Cb 0.04 0.00 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1va8 s SER 49 CO -0.02 -0.22 0.55 -0.69 0.41 0.00 0.00 173.24 173.27 1va8 s VAL 50 N -2.06 5.13 0.21 3.43 1.01 -1.26 -0.08 120.40 126.77 1va8 s VAL 50 Ca 0.02 -1.84 0.04 0.00 0.00 0.00 0.00 61.98 60.19 1va8 s VAL 50 Cb -0.05 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1va8 s VAL 50 CO 0.01 -0.90 0.34 -0.63 0.00 0.00 0.00 175.10 173.91 1va8 s ILE 51 N 1.13 5.28 0.44 2.22 1.09 -1.16 -0.38 121.20 129.82 1va8 s ILE 51 Ca 0.08 -0.84 -0.24 0.00 -1.10 0.00 0.00 60.65 58.55 1va8 s ILE 51 Cb -0.24 -3.81 -0.08 0.00 -1.06 0.00 0.00 42.46 37.27 1va8 s ILE 51 CO -0.01 -0.24 1.16 -0.63 -0.10 0.00 0.00 174.94 175.12 1va8 s ILE 52 N -1.89 3.16 -0.08 2.92 -1.09 0.59 -0.31 121.20 124.50 1va8 s ILE 52 Ca 0.34 0.90 -0.02 0.00 -2.23 0.00 0.00 60.65 59.64 1va8 s ILE 52 Cb -0.10 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1va8 s ILE 52 CO 0.29 0.02 -0.09 -1.54 -1.23 0.00 0.00 174.94 172.39 1va8 n SER 53 N -0.29 1.73 -3.64 3.58 3.41 0.12 -3.34 113.62 115.20 1va8 n SER 53 Ca 0.06 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1va8 n SER 53 Cb 0.48 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1va8 n SER 53 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1va8 s ARG 54 N -2.15 1.19 -0.13 4.33 3.52 -0.81 -4.91 118.95 119.99 1va8 s ARG 54 Ca -0.11 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 1va8 s ARG 54 Cb 0.04 0.50 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1va8 s ARG 54 CO 0.16 -0.49 -0.20 0.42 -0.81 0.00 0.00 175.30 174.38 1va8 s ILE 55 N -3.82 1.92 0.19 4.11 -1.09 -1.26 0.18 121.20 121.44 1va8 s ILE 55 Ca 0.05 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.43 1va8 s ILE 55 Cb 0.01 -1.71 -0.07 0.00 -1.58 0.00 0.00 42.46 39.10 1va8 s ILE 55 CO -0.09 0.52 0.59 -0.69 -1.23 0.00 0.00 174.94 174.04 1va8 s VAL 56 N 0.88 4.82 0.47 2.92 1.01 0.39 -4.94 120.40 125.93 1va8 s VAL 56 Ca -0.06 0.82 -0.20 0.00 0.00 0.00 0.00 61.98 62.54 1va8 s VAL 56 Cb -0.15 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1va8 s VAL 56 CO -0.02 0.13 0.99 -0.75 0.00 0.00 0.00 175.10 175.45 1va8 s LYS 57 N -2.25 4.00 0.00 2.72 2.47 -1.26 -3.16 119.74 122.25 1va8 s LYS 57 Ca 0.42 1.20 0.00 0.00 -1.56 0.00 0.00 55.97 56.03 1va8 s LYS 57 Cb -0.14 -2.14 0.00 0.00 -1.46 0.00 0.00 37.83 34.10 1va8 s LYS 57 CO 0.20 -0.24 0.00 0.41 0.16 0.00 0.00 175.35 175.87 1va8 n GLY 58 N -0.59 0.42 3.87 5.54 0.00 -1.26 -4.98 105.19 108.19 1va8 n GLY 58 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1va8 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1va8 s GLY 59 N -2.00 2.13 0.49 -0.02 0.00 -1.19 -4.86 107.32 101.86 1va8 s GLY 59 Ca 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 44.72 44.77 1va8 s GLY 59 CO 0.00 0.06 2.04 0.00 0.00 0.00 0.00 173.10 175.20 1va8 h ALA 60 N 1.80 2.16 0.52 3.20 0.00 -1.03 0.65 119.26 126.57 1va8 h ALA 60 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1va8 h ALA 60 Cb 1.18 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1va8 h ALA 60 CO 0.65 -0.26 -0.25 0.00 0.00 0.00 0.00 179.25 179.39 1va8 h ALA 61 N 1.80 -0.70 0.46 0.00 0.00 -1.57 -2.28 119.26 116.96 1va8 h ALA 61 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1va8 h ALA 61 Cb 0.51 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1va8 h ALA 61 CO -0.03 -0.73 -0.22 1.49 0.00 0.00 0.00 179.25 179.76 1va8 h GLU 62 N -1.03 -0.60 -0.22 0.00 4.81 -1.57 0.47 114.58 116.45 1va8 h GLU 62 Ca -0.07 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1va8 h GLU 62 Cb 0.62 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1va8 h GLU 62 CO 0.12 -0.38 -0.13 0.87 -0.73 0.00 0.00 179.01 178.76 1va8 h LYS 63 N -0.65 -0.00 -0.71 1.92 1.57 0.21 0.55 116.57 119.46 1va8 h LYS 63 Ca -0.06 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1va8 h LYS 63 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1va8 h LYS 63 CO 0.10 -0.00 0.46 0.66 -0.57 0.00 0.00 179.45 180.11 1va8 h SER 64 N -0.00 0.69 -4.29 0.86 4.64 -1.39 -3.46 113.55 110.59 1va8 h SER 64 Ca 0.03 -0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.11 1va8 h SER 64 Cb 0.09 -0.15 0.10 0.00 -0.31 0.00 0.00 62.40 62.13 1va8 h SER 64 CO -0.21 0.46 -0.48 0.61 -0.87 0.00 0.00 176.83 176.35 1va8 n GLY 65 N -1.44 -0.06 0.23 -0.77 0.00 0.19 -4.92 105.19 98.42 1va8 n GLY 65 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1va8 n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1va8 n LEU 66 N -3.27 1.57 -4.04 0.99 4.77 -1.18 -4.96 117.00 110.89 1va8 n LEU 66 Ca -0.09 -1.12 -0.26 0.00 -0.03 0.00 0.00 56.01 54.51 1va8 n LEU 66 Cb 0.57 -0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.49 1va8 n LEU 66 CO 0.41 0.34 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.58 1va8 s LEU 67 N -0.52 1.66 0.10 2.23 1.43 -1.26 -4.94 118.68 117.38 1va8 s LEU 67 Ca 0.07 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1va8 s LEU 67 Cb 0.05 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1va8 s LEU 67 CO 0.07 0.03 -0.09 -1.00 0.23 0.00 0.00 176.35 175.58 1va8 s HIS 68 N 0.81 1.01 0.10 0.29 3.76 -1.26 -4.74 115.29 115.27 1va8 s HIS 68 Ca -0.11 -0.70 -0.31 0.00 -0.15 0.00 0.00 55.06 53.79 1va8 s HIS 68 Cb -0.15 -0.56 -0.10 0.00 1.11 0.00 0.00 32.58 32.88 1va8 s HIS 68 CO 0.02 -0.03 1.83 -1.21 -0.85 0.00 0.00 174.74 174.50 1va8 s GLU 69 N -2.95 4.14 0.00 1.40 2.02 -1.26 -1.77 118.70 120.28 1va8 s GLU 69 Ca 0.06 2.57 0.00 0.00 0.02 0.00 0.00 54.97 57.62 1va8 s GLU 69 Cb -0.02 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1va8 s GLU 69 CO -0.01 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 174.83 1va8 n GLY 70 N 4.26 1.31 3.75 -1.39 0.00 -1.21 -4.89 105.19 107.00 1va8 n GLY 70 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1va8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1va8 s ASP 71 N -1.95 7.02 -0.23 1.61 1.01 -0.73 -4.05 116.67 119.36 1va8 s ASP 71 Ca 0.00 2.35 -0.08 0.00 0.71 0.00 0.00 52.55 55.53 1va8 s ASP 71 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1va8 s ASP 71 CO 0.00 -0.40 0.08 -0.70 0.21 0.00 0.00 175.17 174.36 1va8 s GLU 72 N -0.63 3.83 0.01 8.23 2.12 -1.11 -0.30 118.70 130.85 1va8 s GLU 72 Ca 0.52 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 55.22 1va8 s GLU 72 Cb -0.35 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1va8 s GLU 72 CO 0.40 0.01 0.68 0.08 -0.54 0.00 0.00 175.26 175.89 1va8 s VAL 73 N 1.12 4.85 0.07 3.70 1.01 0.49 -2.40 120.40 129.24 1va8 s VAL 73 Ca 0.05 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1va8 s VAL 73 Cb -0.14 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1va8 s VAL 73 CO 0.04 0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.69 1va8 n LEU 74 N 2.91 0.61 -3.95 3.92 4.77 -1.00 -3.80 117.00 120.47 1va8 n LEU 74 Ca -0.04 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1va8 n LEU 74 Cb 0.51 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 1va8 n LEU 74 CO 0.46 -0.49 -0.39 -0.70 -1.33 0.00 0.00 177.39 174.94 1va8 s GLU 75 N -2.00 0.30 -0.27 3.23 2.12 -1.19 0.12 118.70 121.01 1va8 s GLU 75 Ca 0.00 -0.25 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 1va8 s GLU 75 Cb 0.00 -0.22 0.09 0.00 0.26 0.00 0.00 34.13 34.26 1va8 s GLU 75 CO 0.00 0.05 0.08 0.42 -0.54 0.00 0.00 175.26 175.28 1va8 s ILE 76 N -0.39 0.63 0.00 -3.70 1.01 0.52 -1.09 121.20 118.18 1va8 s ILE 76 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1va8 s ILE 76 Cb -0.03 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1va8 s ILE 76 CO -0.00 -0.54 0.00 -3.20 0.00 0.00 0.00 174.94 171.20 1va8 n ASN 77 N 4.97 -0.42 0.00 3.58 2.85 -0.82 -2.54 115.26 122.88 1va8 n ASN 77 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1va8 n ASN 77 Cb 0.44 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1va8 n GLY 78 N -2.05 1.20 3.75 8.20 0.00 -1.26 -4.88 105.19 110.15 1va8 n GLY 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1va8 n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1va8 s ILE 79 N -1.33 3.34 0.57 -0.61 1.09 -1.05 -4.90 121.20 118.31 1va8 s ILE 79 Ca 0.00 1.26 -0.17 0.00 -1.10 0.00 0.00 60.65 60.64 1va8 s ILE 79 Cb 0.00 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1va8 s ILE 79 CO 0.00 0.27 1.08 -1.61 -0.10 0.00 0.00 174.94 174.57 1va8 s GLU 80 N -1.07 3.33 0.00 2.79 2.02 -1.26 -0.36 118.70 124.16 1va8 s GLU 80 Ca 0.49 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.82 1va8 s GLU 80 Cb -0.34 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1va8 s GLU 80 CO 0.42 -0.81 0.00 -0.89 0.02 0.00 0.00 175.26 173.99 1va8 n ILE 81 N -1.74 0.00 -1.52 -1.63 2.08 0.33 -4.83 119.36 112.04 1va8 n ILE 81 Ca 0.10 0.00 -0.56 0.00 0.56 0.00 0.00 62.75 62.84 1va8 n ILE 81 Cb 0.52 -0.72 -0.08 0.00 -0.75 0.00 0.00 39.64 38.61 1va8 n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1va8 n ARG 82 N -2.47 0.79 0.00 0.38 0.63 -1.20 0.14 116.66 114.93 1va8 n ARG 82 Ca 0.00 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1va8 n ARG 82 Cb 0.34 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1va8 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1va8 n GLY 83 N 5.75 2.38 3.18 5.14 0.00 -0.07 -4.96 105.19 116.62 1va8 n GLY 83 Ca 0.38 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1va8 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1va8 n LYS 84 N 0.00 -3.96 -4.25 1.61 5.02 0.38 -4.96 118.16 112.01 1va8 n LYS 84 Ca 0.00 -1.17 -0.26 0.00 -2.02 0.00 0.00 58.31 54.85 1va8 n LYS 84 Cb 0.00 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.11 1va8 n LYS 84 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1va8 s ASP 85 N -2.70 4.55 0.19 4.39 2.15 -1.26 -4.84 116.67 119.15 1va8 s ASP 85 Ca 0.59 -0.49 -0.14 0.00 0.43 0.00 0.00 52.55 52.94 1va8 s ASP 85 Cb -0.12 -0.88 0.20 0.00 -0.30 0.00 0.00 42.92 41.82 1va8 s ASP 85 CO 0.51 0.09 1.66 -0.37 -0.17 0.00 0.00 175.17 176.88 1va8 h VAL 86 N 2.54 0.50 -0.34 1.11 -1.51 -1.91 0.52 116.25 117.16 1va8 h VAL 86 Ca -0.47 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.02 1va8 h VAL 86 Cb 1.21 0.46 -0.04 0.00 -2.13 0.00 0.00 31.29 30.79 1va8 h VAL 86 CO 0.57 0.01 0.13 -1.13 -1.23 0.00 0.00 177.57 175.91 1va8 h ASN 87 N 0.04 0.15 -0.02 4.19 -0.73 -1.96 0.33 115.58 117.58 1va8 h ASN 87 Ca 0.27 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.49 1va8 h ASN 87 Cb 0.41 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1va8 h ASN 87 CO -0.51 0.12 -0.12 -0.33 -0.37 0.00 0.00 177.43 176.22 1va8 h GLU 88 N 0.28 -0.19 -0.53 6.67 5.08 -1.26 1.28 114.58 125.91 1va8 h GLU 88 Ca 0.15 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1va8 h GLU 88 Cb 0.12 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1va8 h GLU 88 CO -0.15 -0.13 0.27 0.28 -1.00 0.00 0.00 179.01 178.28 1va8 h VAL 89 N -0.20 0.95 -0.24 3.13 2.07 0.40 0.39 116.25 122.75 1va8 h VAL 89 Ca 0.05 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1va8 h VAL 89 Cb 0.26 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1va8 h VAL 89 CO -0.13 0.09 0.06 -0.26 0.02 0.00 0.00 177.57 177.34 1va8 h PHE 90 N 0.51 0.41 0.00 1.57 0.04 0.31 -1.55 116.94 118.22 1va8 h PHE 90 Ca 0.23 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 1va8 h PHE 90 Cb 0.15 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1va8 h PHE 90 CO -0.10 0.49 -0.08 0.22 -0.60 0.00 0.00 178.31 178.23 1va8 h ASP 91 N 0.21 0.00 0.01 2.17 1.82 0.22 0.70 116.42 121.54 1va8 h ASP 91 Ca 0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1va8 h ASP 91 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1va8 h ASP 91 CO 0.00 0.08 -0.00 -0.07 -1.61 0.00 0.00 179.24 177.64 1va8 h LEU 92 N 0.00 -0.01 -0.28 2.28 3.38 0.38 -2.48 115.31 118.58 1va8 h LEU 92 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1va8 h LEU 92 Cb 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1va8 h LEU 92 CO 0.01 -0.00 -0.42 -0.07 0.09 0.00 0.00 178.44 178.04 1va8 h LEU 93 N -0.02 -1.37 -0.99 1.67 3.38 -1.23 0.37 115.31 117.11 1va8 h LEU 93 Ca -0.00 0.20 0.37 0.00 0.09 0.00 0.00 57.88 58.53 1va8 h LEU 93 Cb 0.01 0.58 -0.17 0.00 0.09 0.00 0.00 40.66 41.17 1va8 h LEU 93 CO 0.00 -0.39 0.49 -1.28 0.09 0.00 0.00 178.44 177.35 1va8 h SER 94 N -0.40 0.30 -0.15 -0.43 0.87 -0.98 1.49 113.55 114.24 1va8 h SER 94 Ca 0.11 0.24 -0.18 0.00 -1.23 0.00 0.00 61.79 60.73 1va8 h SER 94 Cb 0.60 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1va8 h SER 94 CO -0.49 -0.33 -0.59 -0.78 -0.53 0.00 0.00 176.83 174.11 1va8 h ASP 95 N 0.11 0.78 -4.38 6.23 3.58 0.03 -3.45 116.42 119.33 1va8 h ASP 95 Ca 0.78 -0.61 -0.50 0.00 0.42 0.00 0.00 57.03 57.11 1va8 h ASP 95 Cb 1.93 -0.23 0.08 0.00 1.72 0.00 0.00 39.33 42.84 1va8 h ASP 95 CO -0.73 1.26 0.39 -0.04 -2.88 0.00 0.00 179.24 177.25 1va8 s MET 96 N -3.80 2.90 -0.08 0.28 -1.94 0.51 -5.09 119.30 112.08 1va8 s MET 96 Ca -0.12 0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 54.26 1va8 s MET 96 Cb 0.07 -2.01 0.07 0.00 2.01 0.00 0.00 34.83 34.97 1va8 s MET 96 CO 0.86 -1.06 0.66 -3.38 -0.01 0.00 0.00 175.02 172.09 1va8 s HIS 97 N -3.20 -0.64 0.00 -0.03 -3.43 -1.26 -4.82 115.29 101.90 1va8 s HIS 97 Ca 0.58 1.19 0.00 0.00 -0.80 0.00 0.00 55.06 56.03 1va8 s HIS 97 Cb -0.12 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.39 1va8 s HIS 97 CO 0.54 -0.56 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 1va8 n GLY 98 N 1.23 -1.38 3.56 -1.38 0.00 0.66 -4.87 105.19 103.01 1va8 n GLY 98 Ca -0.18 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.35 1va8 n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va8 s THR 99 N -0.01 3.30 -0.14 2.61 2.01 -1.25 -2.30 115.64 119.86 1va8 s THR 99 Ca 0.00 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 1va8 s THR 99 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1va8 s THR 99 CO 0.00 -0.60 0.13 -0.76 -0.69 0.00 0.00 174.62 172.70 1va8 s LEU 100 N 9.31 4.29 -0.66 4.42 1.02 0.30 -4.86 118.68 132.50 1va8 s LEU 100 Ca 0.77 0.38 -0.23 0.00 0.02 0.00 0.00 54.13 55.07 1va8 s LEU 100 Cb -0.16 -2.06 0.07 0.00 0.02 0.00 0.00 46.19 44.06 1va8 s LEU 100 CO 0.25 0.34 0.97 -0.89 0.02 0.00 0.00 176.35 177.03 1va8 s THR 101 N -0.58 4.32 -0.31 5.49 2.01 -1.26 -1.49 115.64 123.82 1va8 s THR 101 Ca 0.13 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.53 1va8 s THR 101 Cb -0.12 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.71 1va8 s THR 101 CO 0.02 -1.46 0.77 -0.36 -0.69 0.00 0.00 174.62 172.90 1va8 s PHE 102 N 4.06 3.19 -0.63 4.92 0.40 0.10 -1.94 117.98 128.08 1va8 s PHE 102 Ca 0.22 0.76 -0.11 0.00 -0.60 0.00 0.00 56.93 57.21 1va8 s PHE 102 Cb -0.17 -3.21 0.16 0.00 0.51 0.00 0.00 43.02 40.31 1va8 s PHE 102 CO 0.10 -0.57 0.53 0.08 0.70 0.00 0.00 175.22 176.06 1va8 s VAL 103 N 2.93 4.75 0.15 -0.44 1.01 -0.25 -0.51 120.40 128.04 1va8 s VAL 103 Ca 0.31 -2.20 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1va8 s VAL 103 Cb -0.14 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1va8 s VAL 103 CO 0.13 -0.90 -0.05 -1.48 0.00 0.00 0.00 175.10 172.80 1va8 s LEU 104 N 0.72 2.36 -0.18 3.92 0.05 0.12 -2.36 118.68 123.30 1va8 s LEU 104 Ca 0.12 -1.08 -0.07 0.00 0.05 0.00 0.00 54.13 53.15 1va8 s LEU 104 Cb -0.20 -0.15 -0.04 0.00 -2.05 0.00 0.00 46.19 43.75 1va8 s LEU 104 CO -0.03 -0.47 0.04 -0.63 -0.55 0.00 0.00 176.35 174.71 1va8 s ILE 105 N -3.54 4.53 -0.21 1.48 1.01 -1.01 0.52 121.20 123.98 1va8 s ILE 105 Ca 0.18 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1va8 s ILE 105 Cb 0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1va8 s ILE 105 CO 0.01 0.45 1.30 -2.16 0.00 0.00 0.00 174.94 174.54 1va8 s PRO 106 N 0.50 4.09 -1.19 2.79 0.04 -1.26 -2.73 135.00 137.25 1va8 s PRO 106 Ca 0.02 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 1va8 s PRO 106 Cb -0.13 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 1va8 s PRO 106 CO 0.01 -0.89 1.98 0.45 0.04 0.00 0.00 177.00 178.59 1va8 n SER 107 N 7.08 3.62 -2.60 6.66 2.88 -1.26 -4.78 113.62 125.22 1va8 n SER 107 Ca 0.15 -2.79 -0.22 0.00 -1.33 0.00 0.00 58.87 54.67 1va8 n SER 107 Cb 0.45 -1.55 -0.10 0.00 -0.75 0.00 0.00 64.21 62.27 1va8 n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1va8 n SER 108 N 8.53 6.23 -4.66 -3.46 7.64 -1.26 -4.91 113.62 121.73 1va8 n SER 108 Ca 0.49 -2.45 -0.42 0.00 1.01 0.00 0.00 58.87 57.50 1va8 n SER 108 Cb 0.42 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.22 1va8 n SER 108 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1va8 s GLY 109 N 2.24 1.43 -0.20 0.23 0.00 -1.26 -4.92 107.32 104.84 1va8 s GLY 109 Ca 0.62 1.19 -0.29 0.00 0.00 0.00 0.00 44.72 46.24 1va8 s GLY 109 CO -0.02 3.37 1.30 2.56 0.00 0.00 0.00 173.10 180.30 1va8 s PRO 110 N 4.43 4.13 -0.30 2.90 0.04 -1.26 -4.93 135.00 140.01 1va8 s PRO 110 Ca 0.85 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 1va8 s PRO 110 Cb -0.40 -3.81 0.18 0.00 0.04 0.00 0.00 34.50 30.51 1va8 s PRO 110 CO 0.38 -0.84 1.15 0.45 0.04 0.00 0.00 177.00 178.18 1va8 s SER 111 N 2.31 -0.19 0.10 6.66 0.15 -1.26 -5.14 113.70 116.32 1va8 s SER 111 Ca 0.56 0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.98 1va8 s SER 111 Cb -0.21 1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 65.18 1va8 s SER 111 CO 0.18 -0.04 1.23 -0.44 1.20 0.00 0.00 173.24 175.37 1va8 s SER 112 N 2.98 7.03 0.00 5.45 0.01 -1.26 -5.28 113.70 122.64 1va8 s SER 112 Ca 0.11 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.49 1va8 s SER 112 Cb -0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1va8 s SER 112 CO -0.15 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.63