#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va8 h SER 2 N 0.00 -1.45 -2.76 1.61 0.87 -2.09 -3.38 113.55 106.36 1va8 h SER 2 Ca 0.00 0.20 -0.48 0.00 -1.23 0.00 0.00 61.79 60.28 1va8 h SER 2 Cb 0.00 0.60 -0.39 0.00 -0.44 0.00 0.00 62.40 62.17 1va8 h SER 2 CO 0.00 -0.41 -0.75 -0.94 -0.53 0.00 0.00 176.83 174.21 1va8 s SER 3 N -4.96 2.89 0.22 6.23 1.04 -1.26 -5.14 113.70 112.72 1va8 s SER 3 Ca -0.15 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1va8 s SER 3 Cb 0.10 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1va8 s SER 3 CO 0.64 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1va8 n GLY 4 N 5.27 1.04 2.57 7.32 0.00 -1.26 -5.10 105.19 115.03 1va8 n GLY 4 Ca -0.06 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 1va8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va8 s SER 5 N -1.00 1.27 0.00 1.61 0.01 -1.26 -4.91 113.70 109.42 1va8 s SER 5 Ca 0.00 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.00 1va8 s SER 5 Cb 0.00 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1va8 s SER 5 CO 0.00 -0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.20 1va8 n SER 6 N 3.53 0.00 0.00 2.44 2.88 -1.26 -5.09 113.62 116.13 1va8 n SER 6 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1va8 n SER 6 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1va8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 7 N 0.00 1.12 0.00 0.46 0.00 -1.26 -5.15 105.19 100.36 1va8 n GLY 7 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1va8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1va8 n PRO 8 N 0.00 0.49 -2.94 1.61 -0.04 -1.26 -5.00 135.00 127.86 1va8 n PRO 8 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1va8 n PRO 8 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1va8 n PRO 8 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1va8 s ILE 9 N -0.34 4.56 0.75 0.52 1.01 -1.26 -5.01 121.20 121.42 1va8 s ILE 9 Ca 0.00 1.73 -0.16 0.00 0.00 0.00 0.00 60.65 62.22 1va8 s ILE 9 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1va8 s ILE 9 CO 0.00 0.41 0.48 0.41 0.00 0.00 0.00 174.94 176.25 1va8 n THR 10 N 2.36 1.51 -3.49 2.92 -1.04 -1.26 -5.00 114.28 110.28 1va8 n THR 10 Ca -0.03 -0.38 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 1va8 n THR 10 Cb 0.49 -0.70 -0.13 0.00 -1.82 0.00 0.00 70.33 68.17 1va8 n THR 10 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1va8 s ASP 11 N -1.52 2.31 -1.54 8.00 1.01 -1.26 -5.04 116.67 118.63 1va8 s ASP 11 Ca 0.64 -0.80 -0.11 0.00 0.71 0.00 0.00 52.55 52.99 1va8 s ASP 11 Cb -0.33 0.11 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 1va8 s ASP 11 CO 0.60 -0.39 2.65 -1.84 0.21 0.00 0.00 175.17 176.40 1va8 n GLU 12 N 5.29 3.50 -0.49 8.23 0.28 -1.26 -3.78 120.64 132.41 1va8 n GLU 12 Ca -0.05 -2.47 0.00 0.00 -0.16 0.00 0.00 57.16 54.49 1va8 n GLU 12 Cb 0.46 -2.95 0.00 0.00 1.43 0.00 0.00 31.44 30.38 1va8 n GLU 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1va8 n ARG 13 N 4.25 0.00 -0.28 3.44 1.74 -1.26 -4.83 116.66 119.72 1va8 n ARG 13 Ca 0.68 -0.61 0.04 0.00 -0.77 0.00 0.00 57.85 57.19 1va8 n ARG 13 Cb 0.29 -0.31 0.05 0.00 -1.02 0.00 0.00 32.46 31.47 1va8 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1va8 n VAL 14 N 0.00 0.77 -0.71 1.55 0.31 -1.25 -5.10 118.33 113.91 1va8 n VAL 14 Ca 0.00 -0.92 -0.24 0.00 -0.01 0.00 0.00 64.34 63.17 1va8 n VAL 14 Cb 0.62 0.24 -0.01 0.00 -0.91 0.00 0.00 33.84 33.78 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 -0.58 -0.41 0.00 3.52 4.02 -1.26 -4.92 117.16 117.53 1va8 n TYR 15 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 1va8 n TYR 15 Cb 0.65 -0.99 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 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 0.55 2.96 -1.95 -0.72 4.71 -1.26 -4.74 120.64 120.19 1va8 n GLU 16 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.82 1va8 n GLU 16 Cb 0.14 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.55 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1va8 s SER 17 N -1.78 5.67 0.00 1.62 1.04 -1.26 -4.90 113.70 114.09 1va8 s SER 17 Ca 0.00 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1va8 s SER 17 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1va8 s SER 17 CO 0.00 -1.91 0.00 -0.38 0.98 0.00 0.00 173.24 171.93 1va8 n ILE 18 N 7.45 0.00 0.00 -1.02 -0.00 -1.26 -5.08 119.36 119.44 1va8 n ILE 18 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.99 1va8 n ILE 18 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1va8 n ILE 18 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1va8 n GLY 19 N 4.58 0.18 0.01 7.39 0.00 -1.26 -4.93 105.19 111.15 1va8 n GLY 19 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1va8 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1va8 n HIS 20 N -1.04 0.00 -3.92 1.61 8.25 -1.26 -4.41 115.22 114.45 1va8 n HIS 20 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1va8 n HIS 20 Cb 0.00 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 30.84 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1va8 n TYR 21 N -1.90 -1.67 0.00 4.41 4.02 -1.26 -3.60 117.16 117.16 1va8 n TYR 21 Ca -0.01 0.45 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1va8 n TYR 21 Cb 0.42 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.07 1va8 n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1va8 n GLY 22 N -1.84 -1.25 0.51 2.72 0.00 -1.26 -4.14 105.19 99.94 1va8 n GLY 22 Ca -0.22 -1.60 0.29 0.00 0.00 0.00 0.00 46.02 44.49 1va8 n GLY 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1va8 h GLY 23 N 0.00 0.00 -0.50 -0.02 0.00 -2.05 -3.39 103.07 97.11 1va8 h GLY 23 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1va8 h GLY 23 CO 0.00 0.00 0.16 1.18 0.00 0.00 0.00 176.54 177.88 1va8 n GLU 24 N -3.49 -1.46 -3.69 4.80 4.71 -1.26 -5.08 120.64 115.18 1va8 n GLU 24 Ca 0.22 -1.10 -0.24 0.00 -0.01 0.00 0.00 57.16 56.03 1va8 n GLU 24 Cb 1.34 -0.86 -0.17 0.00 -1.01 0.00 0.00 31.44 30.73 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1va8 s THR 25 N -2.41 0.11 0.26 2.62 -4.23 -1.24 -4.44 115.64 106.31 1va8 s THR 25 Ca 0.42 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1va8 s THR 25 Cb -0.02 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 1va8 s THR 25 CO 0.31 0.00 0.49 0.68 -0.54 0.00 0.00 174.62 175.56 1va8 s VAL 26 N 2.06 5.11 -0.32 2.29 -7.23 -1.26 -4.76 120.40 116.29 1va8 s VAL 26 Ca 0.03 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1va8 s VAL 26 Cb -0.14 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.11 1va8 s VAL 26 CO -0.06 -0.29 0.05 -0.75 -0.31 0.00 0.00 175.10 173.73 1va8 s LYS 27 N -3.56 2.35 -0.07 4.82 2.20 0.32 -4.93 119.74 120.88 1va8 s LYS 27 Ca 0.41 -1.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.37 1va8 s LYS 27 Cb -0.11 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1va8 s LYS 27 CO 0.30 -0.71 0.93 0.42 -0.36 0.00 0.00 175.35 175.93 1va8 s ILE 28 N 1.24 4.87 -0.10 5.43 1.01 -1.26 -2.78 121.20 129.61 1va8 s ILE 28 Ca -0.02 1.90 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 1va8 s ILE 28 Cb -0.20 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.05 1va8 s ILE 28 CO -0.01 0.10 -0.05 0.68 0.00 0.00 0.00 174.94 175.65 1va8 s VAL 29 N 1.51 0.86 -0.37 2.92 -7.23 0.15 -4.94 120.40 113.29 1va8 s VAL 29 Ca 0.46 -0.19 -0.19 0.00 -1.81 0.00 0.00 61.98 60.26 1va8 s VAL 29 Cb -0.19 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1va8 s VAL 29 CO 0.21 0.33 0.55 -0.13 -0.31 0.00 0.00 175.10 175.75 1va8 s ARG 30 N 1.78 3.54 0.10 4.82 0.52 -1.26 -0.16 118.95 128.29 1va8 s ARG 30 Ca 0.05 -0.19 0.07 0.00 -0.52 0.00 0.00 55.73 55.14 1va8 s ARG 30 Cb -0.13 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1va8 s ARG 30 CO -0.07 -0.74 -0.11 0.42 0.02 0.00 0.00 175.30 174.82 1va8 s ILE 31 N 2.51 3.34 -0.27 1.52 1.01 -0.34 -4.89 121.20 124.08 1va8 s ILE 31 Ca 0.20 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.44 1va8 s ILE 31 Cb -0.15 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1va8 s ILE 31 CO 0.15 0.12 0.33 -1.61 0.00 0.00 0.00 174.94 173.92 1va8 s GLU 32 N -2.18 4.01 -0.18 2.79 2.02 -1.26 0.06 118.70 123.95 1va8 s GLU 32 Ca 0.21 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1va8 s GLU 32 Cb -0.11 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.50 1va8 s GLU 32 CO 0.13 -0.24 -0.15 0.21 0.02 0.00 0.00 175.26 175.23 1va8 s LYS 33 N 1.95 2.52 1.16 1.61 2.20 -0.41 -4.89 119.74 123.87 1va8 s LYS 33 Ca 0.13 -0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 54.82 1va8 s LYS 33 Cb -0.16 -2.42 0.28 0.00 -1.51 0.00 0.00 37.83 34.02 1va8 s LYS 33 CO 0.10 -0.29 1.03 0.00 -0.36 0.00 0.00 175.35 175.83 1va8 s ALA 34 N 1.36 -0.37 -2.00 3.13 0.00 -1.26 0.22 121.76 122.83 1va8 s ALA 34 Ca 0.03 -0.22 0.14 0.00 0.00 0.00 0.00 51.96 51.91 1va8 s ALA 34 Cb -0.14 -3.21 0.85 0.00 0.00 0.00 0.00 23.12 20.62 1va8 s ALA 34 CO -0.11 -3.77 1.50 0.54 0.00 0.00 0.00 175.76 173.93 1va8 n ARG 35 N -4.86 0.94 -0.85 0.00 1.74 -1.26 -2.99 116.66 109.39 1va8 n ARG 35 Ca 0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1va8 n ARG 35 Cb 0.55 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.74 -0.12 -4.45 0.55 5.75 -1.26 -5.09 116.55 111.20 1va8 n ASP 36 Ca 0.11 -1.70 -0.35 0.00 -0.01 0.00 0.00 54.79 52.84 1va8 n ASP 36 Cb 0.05 -0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.01 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1va8 s ILE 37 N 0.00 3.98 0.35 2.12 -1.09 -1.16 -5.09 121.20 120.31 1va8 s ILE 37 Ca 0.07 -0.30 -0.26 0.00 -2.23 0.00 0.00 60.65 57.92 1va8 s ILE 37 Cb 0.08 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 38.06 1va8 s ILE 37 CO -0.03 0.42 1.06 -2.16 -1.23 0.00 0.00 174.94 173.00 1va8 s PRO 38 N 1.06 4.36 0.12 2.79 0.04 -1.26 -4.55 135.00 137.55 1va8 s PRO 38 Ca 0.02 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 1va8 s PRO 38 Cb -0.14 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1va8 s PRO 38 CO 0.02 0.00 1.63 1.25 0.04 0.00 0.00 177.00 179.94 1va8 h LEU 39 N 3.03 -0.83 -0.58 -3.56 5.85 -1.96 -3.12 115.31 114.14 1va8 h LEU 39 Ca -0.48 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 1va8 h LEU 39 Cb 1.21 0.33 0.02 0.00 0.37 0.00 0.00 40.66 42.60 1va8 h LEU 39 CO 0.64 -0.36 -0.15 0.61 -0.34 0.00 0.00 178.44 178.85 1va8 n GLY 40 N -1.39 0.51 2.97 3.75 0.00 -1.26 -0.61 105.19 109.15 1va8 n GLY 40 Ca -0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.88 -0.43 0.41 4.61 0.00 -1.26 0.12 121.76 122.32 1va8 s ALA 41 Ca 0.10 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1va8 s ALA 41 Cb -0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 1va8 s ALA 41 CO 0.13 -0.50 0.78 0.99 0.00 0.00 0.00 175.76 177.16 1va8 s THR 42 N 2.07 4.76 0.05 0.00 2.01 0.28 -4.93 115.64 119.89 1va8 s THR 42 Ca -0.01 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1va8 s THR 42 Cb -0.12 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1va8 s THR 42 CO -0.08 -0.51 -0.04 0.68 -0.69 0.00 0.00 174.62 173.98 1va8 s VAL 43 N -2.36 0.33 0.48 3.82 -7.23 -1.26 -0.98 120.40 113.20 1va8 s VAL 43 Ca 0.52 -1.53 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1va8 s VAL 43 Cb -0.10 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.72 1va8 s VAL 43 CO 0.30 -0.78 0.53 -0.13 -0.31 0.00 0.00 175.10 174.72 1va8 s ARG 44 N -3.03 2.50 -0.44 4.82 0.52 0.58 -4.58 118.95 119.33 1va8 s ARG 44 Ca 0.00 -1.58 -0.02 0.00 -0.52 0.00 0.00 55.73 53.61 1va8 s ARG 44 Cb 0.01 -2.48 0.12 0.00 0.52 0.00 0.00 34.95 33.11 1va8 s ARG 44 CO -0.05 -0.45 0.23 1.21 0.02 0.00 0.00 175.30 176.25 1va8 s ASN 45 N -4.34 5.22 0.57 0.23 3.04 -1.26 -3.33 114.94 115.06 1va8 s ASN 45 Ca 0.51 -2.16 -0.05 0.00 0.04 0.00 0.00 52.86 51.19 1va8 s ASN 45 Cb -0.05 -1.82 0.01 0.00 -1.54 0.00 0.00 41.25 37.84 1va8 s ASN 45 CO 0.31 -0.51 0.86 -1.61 -3.04 0.00 0.00 177.10 173.11 1va8 s GLU 46 N 0.95 2.96 0.03 0.43 0.41 0.74 -4.93 118.70 119.28 1va8 s GLU 46 Ca 0.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.54 1va8 s GLU 46 Cb -0.22 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 1va8 s GLU 46 CO -0.04 -0.62 0.21 -1.33 -0.49 0.00 0.00 175.26 172.99 1va8 n MET 47 N -2.50 -0.05 -0.76 1.61 2.81 -1.26 -2.60 117.12 114.37 1va8 n MET 47 Ca 0.04 0.21 -0.01 0.00 -1.81 0.00 0.00 57.70 56.13 1va8 n MET 47 Cb 0.58 -0.31 -0.02 0.00 -0.71 0.00 0.00 33.22 32.76 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 -4.18 -0.13 -4.17 7.83 8.00 -1.26 -5.04 116.55 117.60 1va8 n ASP 48 Ca 0.01 -1.59 -0.15 0.00 0.71 0.00 0.00 54.79 53.76 1va8 n ASP 48 Cb 0.04 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.72 1.48 -0.40 -2.24 0.01 -1.07 -0.78 113.70 109.98 1va8 s SER 49 Ca 0.04 -0.74 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 1va8 s SER 49 Cb 0.05 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.33 1va8 s SER 49 CO -0.02 -0.21 0.23 -0.69 0.41 0.00 0.00 173.24 172.96 1va8 s VAL 50 N -2.04 4.37 0.14 3.43 1.01 -1.26 -0.19 120.40 125.85 1va8 s VAL 50 Ca 0.02 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.91 1va8 s VAL 50 Cb -0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1va8 s VAL 50 CO 0.01 -0.37 0.08 -0.63 0.00 0.00 0.00 175.10 174.18 1va8 s ILE 51 N 1.48 4.29 0.37 2.22 1.09 -1.21 -1.14 121.20 128.31 1va8 s ILE 51 Ca 0.02 -1.05 -0.27 0.00 -1.10 0.00 0.00 60.65 58.24 1va8 s ILE 51 Cb -0.21 -3.14 -0.09 0.00 -1.06 0.00 0.00 42.46 37.96 1va8 s ILE 51 CO 0.04 -0.02 1.31 -0.63 -0.10 0.00 0.00 174.94 175.54 1va8 s ILE 52 N -1.60 2.63 -0.10 2.92 -1.09 0.10 0.22 121.20 124.28 1va8 s ILE 52 Ca 0.29 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 59.30 1va8 s ILE 52 Cb -0.11 -3.37 -0.06 0.00 -1.58 0.00 0.00 42.46 37.35 1va8 s ILE 52 CO 0.21 0.11 -0.10 -1.54 -1.23 0.00 0.00 174.94 172.40 1va8 n SER 53 N 0.42 2.57 -3.58 3.58 3.41 -0.15 -3.20 113.62 116.67 1va8 n SER 53 Ca 0.02 -0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.52 1va8 n SER 53 Cb 0.43 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.19 1.38 -0.16 4.33 3.52 -1.03 -4.94 118.95 119.87 1va8 s ARG 54 Ca -0.13 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1va8 s ARG 54 Cb 0.04 0.57 0.02 0.00 -1.56 0.00 0.00 34.95 34.02 1va8 s ARG 54 CO 0.21 -0.60 -0.18 0.42 -0.81 0.00 0.00 175.30 174.34 1va8 s ILE 55 N -3.81 1.86 0.26 4.11 -1.09 -1.26 0.10 121.20 121.37 1va8 s ILE 55 Ca 0.05 -0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 57.46 1va8 s ILE 55 Cb -0.02 -1.69 -0.08 0.00 -1.58 0.00 0.00 42.46 39.09 1va8 s ILE 55 CO -0.07 0.51 0.72 -0.69 -1.23 0.00 0.00 174.94 174.18 1va8 s VAL 56 N 1.24 4.62 0.45 2.92 1.01 0.33 -4.94 120.40 126.02 1va8 s VAL 56 Ca 0.02 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 1va8 s VAL 56 Cb -0.14 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1va8 s VAL 56 CO -0.09 0.06 0.97 -0.75 0.00 0.00 0.00 175.10 175.29 1va8 s LYS 57 N -2.35 4.11 0.00 2.72 2.47 -1.26 -3.21 119.74 122.22 1va8 s LYS 57 Ca 0.47 1.18 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 1va8 s LYS 57 Cb -0.14 -2.16 0.00 0.00 -1.46 0.00 0.00 37.83 34.07 1va8 s LYS 57 CO 0.20 -0.14 0.00 0.41 0.16 0.00 0.00 175.35 175.98 1va8 n GLY 58 N -0.54 0.59 3.84 5.54 0.00 -1.26 -4.99 105.19 108.38 1va8 n GLY 58 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 2.36 0.58 -0.02 0.00 -1.20 -4.86 107.32 102.18 1va8 s GLY 59 Ca 0.00 0.12 0.27 0.00 0.00 0.00 0.00 44.72 45.12 1va8 s GLY 59 CO 0.00 0.35 2.14 0.00 0.00 0.00 0.00 173.10 175.59 1va8 h ALA 60 N 2.23 1.82 0.17 3.20 0.00 -0.79 0.60 119.26 126.48 1va8 h ALA 60 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1va8 h ALA 60 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1va8 h ALA 60 CO 0.64 -0.22 -0.08 0.00 0.00 0.00 0.00 179.25 179.59 1va8 h ALA 61 N 1.85 -0.23 0.45 0.00 0.00 -1.69 -2.95 119.26 116.68 1va8 h ALA 61 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1va8 h ALA 61 Cb 0.36 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1va8 h ALA 61 CO -0.00 -0.29 -0.22 1.49 0.00 0.00 0.00 179.25 180.23 1va8 h GLU 62 N -0.92 -0.58 -0.63 0.00 4.81 -1.52 0.72 114.58 116.46 1va8 h GLU 62 Ca -0.02 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1va8 h GLU 62 Cb 0.49 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1va8 h GLU 62 CO 0.04 -0.36 -0.37 1.63 -0.73 0.00 0.00 179.01 179.22 1va8 n LYS 63 N -5.33 -0.28 0.16 1.92 5.02 0.20 0.12 118.16 119.97 1va8 n LYS 63 Ca -0.11 1.31 0.03 0.00 -2.02 0.00 0.00 58.31 57.52 1va8 n LYS 63 Cb 0.27 -1.94 0.41 0.00 -0.02 0.00 0.00 35.03 33.75 1va8 n LYS 63 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1va8 h SER 64 N 0.00 0.13 -4.05 4.39 4.64 -1.47 -3.46 113.55 113.73 1va8 h SER 64 Ca 0.10 -0.03 -0.33 0.00 -0.47 0.00 0.00 61.79 61.06 1va8 h SER 64 Cb 0.26 -0.03 0.07 0.00 -0.31 0.00 0.00 62.40 62.38 1va8 h SER 64 CO -0.59 0.34 -0.51 0.61 -0.87 0.00 0.00 176.83 175.81 1va8 n GLY 65 N -0.82 -0.28 0.02 -0.77 0.00 0.33 -4.89 105.19 98.78 1va8 n GLY 65 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.55 0.62 -4.67 0.99 4.77 -1.14 -4.87 117.00 109.16 1va8 n LEU 66 Ca -0.06 -0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.42 1va8 n LEU 66 Cb 0.58 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1va8 n LEU 66 CO 0.42 0.10 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.57 1va8 s LEU 67 N -3.71 3.82 -0.02 2.23 2.01 -1.26 -4.97 118.68 116.79 1va8 s LEU 67 Ca 0.04 0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.33 1va8 s LEU 67 Cb 0.15 -1.95 0.01 0.00 0.01 0.00 0.00 46.19 44.41 1va8 s LEU 67 CO 0.83 0.23 -0.07 -1.00 1.01 0.00 0.00 176.35 177.35 1va8 s HIS 68 N 0.00 0.81 0.21 0.29 3.76 -1.26 -4.85 115.29 114.25 1va8 s HIS 68 Ca 0.06 -0.20 -0.32 0.00 -0.15 0.00 0.00 55.06 54.45 1va8 s HIS 68 Cb -0.12 -0.60 -0.14 0.00 1.11 0.00 0.00 32.58 32.83 1va8 s HIS 68 CO 0.01 -0.10 1.31 0.39 -0.85 0.00 0.00 174.74 175.50 1va8 n GLU 69 N 3.36 1.66 -0.23 1.40 1.02 -1.26 -1.80 120.64 124.79 1va8 n GLU 69 Ca -0.19 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1va8 n GLU 69 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1va8 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1va8 n GLY 70 N 2.13 0.89 3.75 0.62 0.00 -1.19 -4.82 105.19 106.56 1va8 n GLY 70 Ca 0.13 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.01 6.51 -0.13 1.61 1.11 -0.74 -3.49 116.67 119.54 1va8 s ASP 71 Ca 0.00 0.60 -0.08 0.00 0.18 0.00 0.00 52.55 53.25 1va8 s ASP 71 Cb 0.00 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1va8 s ASP 71 CO 0.00 0.14 0.16 -0.70 1.18 0.00 0.00 175.17 175.95 1va8 s GLU 72 N 0.16 3.65 -0.05 8.23 2.12 -1.11 -0.73 118.70 130.97 1va8 s GLU 72 Ca 0.18 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.39 1va8 s GLU 72 Cb -0.14 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1va8 s GLU 72 CO 0.06 0.66 0.08 0.08 -0.54 0.00 0.00 175.26 175.59 1va8 s VAL 73 N -0.70 4.81 0.00 3.70 1.01 -0.29 -1.45 120.40 127.48 1va8 s VAL 73 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1va8 s VAL 73 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1va8 s VAL 73 CO 0.03 0.48 0.00 0.18 0.00 0.00 0.00 175.10 175.79 1va8 n LEU 74 N 1.61 0.96 -3.85 3.92 7.99 -0.84 -4.23 117.00 122.56 1va8 n LEU 74 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.72 1va8 n LEU 74 Cb 0.53 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.72 1va8 n LEU 74 CO 0.34 0.08 -0.25 -0.70 -1.51 0.00 0.00 177.39 175.35 1va8 s GLU 75 N -1.86 0.19 -0.20 3.23 2.12 -1.21 0.56 118.70 121.53 1va8 s GLU 75 Ca 0.00 0.00 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1va8 s GLU 75 Cb 0.00 0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.54 1va8 s GLU 75 CO 0.00 -0.03 0.06 0.42 -0.54 0.00 0.00 175.26 175.17 1va8 s ILE 76 N -0.28 0.28 -0.90 -3.70 1.01 0.93 -0.91 121.20 117.65 1va8 s ILE 76 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1va8 s ILE 76 Cb -0.02 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1va8 s ILE 76 CO 0.00 -0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.25 1va8 n ASN 77 N 5.14 -4.31 0.00 3.58 3.02 0.06 -1.85 115.26 120.90 1va8 n ASN 77 Ca -0.08 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1va8 n ASN 77 Cb 0.47 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 1va8 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1va8 n GLY 78 N -1.56 3.15 3.75 7.41 0.00 -1.26 -4.97 105.19 111.71 1va8 n GLY 78 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.88 3.33 0.39 -0.61 1.09 -0.77 -4.84 121.20 116.90 1va8 s ILE 79 Ca 0.00 1.21 -0.25 0.00 -1.10 0.00 0.00 60.65 60.51 1va8 s ILE 79 Cb 0.00 -3.77 -0.09 0.00 -1.06 0.00 0.00 42.46 37.54 1va8 s ILE 79 CO 0.00 0.23 1.10 -0.70 -0.10 0.00 0.00 174.94 175.47 1va8 s GLU 80 N -0.84 4.16 -0.03 2.79 2.12 -1.26 -0.04 118.70 125.60 1va8 s GLU 80 Ca 0.50 1.65 -0.00 0.00 0.36 0.00 0.00 54.97 57.49 1va8 s GLU 80 Cb -0.34 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1va8 s GLU 80 CO 0.41 -0.18 -0.03 -0.89 -0.54 0.00 0.00 175.26 174.04 1va8 n ILE 81 N 0.09 0.17 -1.68 -3.70 2.08 0.19 -4.85 119.36 111.66 1va8 n ILE 81 Ca 0.04 -0.06 -0.63 0.00 0.56 0.00 0.00 62.75 62.66 1va8 n ILE 81 Cb 0.48 -0.80 -0.09 0.00 -0.75 0.00 0.00 39.64 38.48 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 -2.70 0.24 0.00 0.38 3.00 -1.15 0.76 116.66 117.18 1va8 n ARG 82 Ca -0.05 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1va8 n ARG 82 Cb 0.55 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1va8 n ARG 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1va8 n GLY 83 N 3.38 2.96 3.65 5.14 0.00 0.04 -5.02 105.19 115.36 1va8 n GLY 83 Ca 0.27 -0.80 -0.47 0.00 0.00 0.00 0.00 46.02 45.03 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 1.93 0.00 1.61 5.02 0.23 -4.90 118.16 122.05 1va8 n LYS 84 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1va8 n LYS 84 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1va8 n LYS 84 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1va8 n ASP 85 N 2.90 -1.08 0.01 4.39 2.03 -1.26 -4.66 116.55 118.89 1va8 n ASP 85 Ca 0.16 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.25 1va8 n ASP 85 Cb 0.28 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.54 1va8 n ASP 85 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1va8 h VAL 86 N -1.47 1.08 -0.48 5.18 2.07 -1.92 -3.24 116.25 117.46 1va8 h VAL 86 Ca 0.00 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.00 1va8 h VAL 86 Cb 0.00 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1va8 h VAL 86 CO 0.00 0.70 -0.14 -1.13 0.02 0.00 0.00 177.57 177.02 1va8 h ASN 87 N -0.32 0.96 -0.83 0.57 -0.73 -1.95 -2.66 115.58 110.62 1va8 h ASN 87 Ca -0.29 -0.37 0.13 0.00 1.87 0.00 0.00 56.30 57.64 1va8 h ASN 87 Cb 1.74 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 39.98 1va8 h ASN 87 CO 0.06 1.11 0.43 -0.33 -0.37 0.00 0.00 177.43 178.34 1va8 h GLU 88 N 0.80 0.63 -0.26 6.67 4.39 -1.91 0.51 114.58 125.41 1va8 h GLU 88 Ca 0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1va8 h GLU 88 Cb 0.70 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1va8 h GLU 88 CO 0.05 0.42 0.11 0.28 -1.16 0.00 0.00 179.01 178.71 1va8 h VAL 89 N 0.65 1.16 -0.72 3.13 2.07 -1.53 -1.00 116.25 120.00 1va8 h VAL 89 Ca 0.44 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1va8 h VAL 89 Cb 0.57 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1va8 h VAL 89 CO -0.33 0.16 0.36 -0.26 0.02 0.00 0.00 177.57 177.52 1va8 h PHE 90 N 0.27 1.01 0.00 1.57 0.04 -0.75 -0.82 116.94 118.26 1va8 h PHE 90 Ca 0.09 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1va8 h PHE 90 Cb 0.15 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1va8 h PHE 90 CO -0.01 0.72 -0.24 0.22 -0.60 0.00 0.00 178.31 178.39 1va8 h ASP 91 N 1.02 0.00 0.30 2.17 3.58 0.32 -1.33 116.42 122.48 1va8 h ASP 91 Ca 0.25 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1va8 h ASP 91 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1va8 h ASP 91 CO -0.04 0.24 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.35 1va8 h LEU 92 N 0.00 -0.34 -0.21 2.28 3.38 0.18 -2.69 115.31 117.92 1va8 h LEU 92 Ca -0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1va8 h LEU 92 Cb 0.51 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1va8 h LEU 92 CO 0.03 -0.12 -0.53 -0.07 0.09 0.00 0.00 178.44 177.84 1va8 h LEU 93 N -0.65 -1.70 -0.93 1.67 -0.00 -1.35 0.33 115.31 112.68 1va8 h LEU 93 Ca -0.04 0.21 0.24 0.00 -0.00 0.00 0.00 57.88 58.29 1va8 h LEU 93 Cb 0.31 0.68 -0.17 0.00 -0.00 0.00 0.00 40.66 41.47 1va8 h LEU 93 CO 0.07 -0.46 -0.05 -0.24 -0.00 0.00 0.00 178.44 177.76 1va8 n SER 94 N -5.42 -0.17 -0.12 -0.43 2.88 -0.51 0.23 113.62 110.08 1va8 n SER 94 Ca -0.05 1.58 -0.11 0.00 -1.33 0.00 0.00 58.87 58.96 1va8 n SER 94 Cb 0.37 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 1va8 n SER 94 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1va8 h ASP 95 N 0.00 0.69 -4.29 -3.46 3.32 -0.51 -3.44 116.42 108.73 1va8 h ASP 95 Ca 0.53 -0.35 -0.48 0.00 0.02 0.00 0.00 57.03 56.75 1va8 h ASP 95 Cb 1.03 -0.19 0.11 0.00 0.22 0.00 0.00 39.33 40.51 1va8 h ASP 95 CO -0.89 0.88 0.33 -0.04 -1.72 0.00 0.00 179.24 177.80 1va8 s MET 96 N -4.83 1.98 0.16 3.56 -1.94 0.61 -5.08 119.30 113.76 1va8 s MET 96 Ca -0.13 0.60 -0.23 0.00 -1.71 0.00 0.00 55.69 54.22 1va8 s MET 96 Cb 0.09 -1.91 0.07 0.00 2.01 0.00 0.00 34.83 35.09 1va8 s MET 96 CO 0.80 -1.69 0.67 -3.38 -0.01 0.00 0.00 175.02 171.41 1va8 s HIS 97 N -3.17 -0.45 0.00 -0.03 -3.43 -1.26 -4.83 115.29 102.12 1va8 s HIS 97 Ca 0.61 0.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 1va8 s HIS 97 Cb -0.14 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 1va8 s HIS 97 CO 0.54 -0.88 0.00 0.41 -2.00 0.00 0.00 174.74 172.81 1va8 n GLY 98 N -0.38 -1.73 3.55 -1.38 0.00 0.59 -4.72 105.19 101.12 1va8 n GLY 98 Ca -0.13 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 3.41 -0.02 2.61 2.01 -1.25 -1.29 115.64 121.11 1va8 s THR 99 Ca 0.00 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 1va8 s THR 99 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1va8 s THR 99 CO 0.00 -0.99 0.47 -0.76 -0.69 0.00 0.00 174.62 172.65 1va8 s LEU 100 N 9.05 4.43 -0.63 4.42 1.02 0.11 -4.85 118.68 132.23 1va8 s LEU 100 Ca 0.66 1.00 -0.20 0.00 0.02 0.00 0.00 54.13 55.60 1va8 s LEU 100 Cb -0.11 -2.71 0.09 0.00 0.02 0.00 0.00 46.19 43.49 1va8 s LEU 100 CO 0.15 0.21 0.81 -0.89 0.02 0.00 0.00 176.35 176.65 1va8 s THR 101 N -0.55 4.64 -0.31 5.49 2.01 -1.26 -1.20 115.64 124.46 1va8 s THR 101 Ca 0.26 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 1va8 s THR 101 Cb -0.17 -4.57 0.01 0.00 0.01 0.00 0.00 72.50 67.78 1va8 s THR 101 CO 0.14 -1.26 0.87 -0.36 -0.69 0.00 0.00 174.62 173.32 1va8 s PHE 102 N 3.17 3.18 -0.47 4.92 0.40 0.77 -0.76 117.98 129.20 1va8 s PHE 102 Ca 0.16 0.90 -0.09 0.00 -0.60 0.00 0.00 56.93 57.30 1va8 s PHE 102 Cb -0.21 -3.37 0.12 0.00 0.51 0.00 0.00 43.02 40.07 1va8 s PHE 102 CO 0.07 -0.64 0.34 0.08 0.70 0.00 0.00 175.22 175.78 1va8 s VAL 103 N 3.16 4.20 0.09 -0.44 1.01 -0.09 0.30 120.40 128.64 1va8 s VAL 103 Ca 0.36 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1va8 s VAL 103 Cb -0.13 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1va8 s VAL 103 CO 0.14 -0.76 0.08 -1.48 0.00 0.00 0.00 175.10 173.07 1va8 s LEU 104 N 1.36 1.89 -0.21 3.92 0.05 -1.12 -1.98 118.68 122.59 1va8 s LEU 104 Ca 0.06 -0.96 -0.06 0.00 0.05 0.00 0.00 54.13 53.22 1va8 s LEU 104 Cb -0.26 0.53 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 1va8 s LEU 104 CO -0.01 -0.70 0.02 -0.63 -0.55 0.00 0.00 176.35 174.49 1va8 s ILE 105 N -3.94 4.11 -0.22 1.48 1.01 -0.53 0.12 121.20 123.23 1va8 s ILE 105 Ca 0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1va8 s ILE 105 Cb 0.07 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1va8 s ILE 105 CO -0.06 0.41 1.31 -2.16 0.00 0.00 0.00 174.94 174.43 1va8 s PRO 106 N 1.11 4.09 -0.97 2.79 0.04 -1.26 -2.76 135.00 138.04 1va8 s PRO 106 Ca 0.03 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 1va8 s PRO 106 Cb -0.14 -3.83 -0.07 0.00 0.04 0.00 0.00 34.50 30.50 1va8 s PRO 106 CO 0.02 -0.90 2.15 0.45 0.04 0.00 0.00 177.00 178.76 1va8 n SER 107 N 7.11 4.69 0.00 6.66 2.88 -1.23 -3.93 113.62 129.80 1va8 n SER 107 Ca 0.15 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 1va8 n SER 107 Cb 0.45 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1va8 n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1va8 n SER 108 N 4.93 0.00 -1.43 -3.46 2.88 -1.26 -4.87 113.62 110.41 1va8 n SER 108 Ca 0.49 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.20 1va8 n SER 108 Cb 0.21 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 1va8 n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 109 N -2.00 -3.32 3.62 0.46 0.00 -1.25 -4.66 105.19 98.04 1va8 n GLY 109 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1va8 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1va8 s PRO 110 N -4.19 3.83 0.05 1.61 0.04 -1.26 -4.69 135.00 130.39 1va8 s PRO 110 Ca 0.00 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1va8 s PRO 110 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1va8 s PRO 110 CO 0.00 -1.23 0.00 0.45 0.04 0.00 0.00 177.00 176.26 1va8 n SER 111 N 7.96 -1.91 -4.24 6.66 2.88 -1.26 -4.89 113.62 118.82 1va8 n SER 111 Ca 0.15 0.12 -0.43 0.00 -1.33 0.00 0.00 58.87 57.39 1va8 n SER 111 Cb 0.47 0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 64.32 1va8 n SER 111 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1va8 s SER 112 N -1.93 6.07 0.00 -3.46 0.01 -1.26 -5.11 113.70 108.02 1va8 s SER 112 Ca 0.00 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 54.75 1va8 s SER 112 Cb 0.00 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1va8 s SER 112 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70