#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 3.33 0.36 1.61 0.15 -1.26 -5.15 113.70 112.75 1va8 s SER 2 Ca 0.00 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.57 1va8 s SER 2 Cb 0.00 -0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1va8 s SER 2 CO 0.00 -0.11 0.56 -0.44 1.20 0.00 0.00 173.24 174.46 1va8 s SER 3 N -3.49 6.20 0.35 5.45 0.01 -1.26 -5.11 113.70 115.86 1va8 s SER 3 Ca 0.29 0.39 0.05 0.00 1.31 0.00 0.00 55.95 58.00 1va8 s SER 3 Cb -0.01 -1.92 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1va8 s SER 3 CO 0.13 -0.37 0.50 -0.83 0.41 0.00 0.00 173.24 173.09 1va8 s GLY 4 N -4.07 1.57 -0.09 3.44 0.00 -1.26 -5.11 107.32 101.79 1va8 s GLY 4 Ca 0.41 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1va8 s GLY 4 CO 0.36 -1.28 -0.18 -1.35 0.00 0.00 0.00 173.10 170.66 1va8 s SER 5 N -4.17 2.49 -1.05 1.64 1.04 -1.26 -5.06 113.70 107.33 1va8 s SER 5 Ca 0.45 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 1va8 s SER 5 Cb -0.10 -1.14 0.29 0.00 0.10 0.00 0.00 66.02 65.18 1va8 s SER 5 CO 0.32 0.08 1.29 -1.54 0.98 0.00 0.00 173.24 174.38 1va8 n SER 6 N 3.80 5.87 -0.41 7.02 3.41 -1.26 -4.99 113.62 127.06 1va8 n SER 6 Ca -0.20 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 1va8 n SER 6 Cb 0.52 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1va8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1va8 n GLY 7 N 1.70 1.68 3.56 5.00 0.00 -1.26 -4.97 105.19 110.90 1va8 n GLY 7 Ca 0.25 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 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 3.09 3.06 0.00 1.61 0.04 -1.26 -4.96 135.00 136.58 1va8 s PRO 8 Ca 0.00 -0.60 -0.16 0.00 0.04 0.00 0.00 61.00 60.28 1va8 s PRO 8 Cb 0.00 -5.09 -0.06 0.00 0.04 0.00 0.00 34.50 29.39 1va8 s PRO 8 CO 0.00 -2.74 0.46 0.42 0.04 0.00 0.00 177.00 175.17 1va8 s ILE 9 N 7.48 4.98 0.00 0.56 1.01 -1.26 -5.08 121.20 128.88 1va8 s ILE 9 Ca 0.57 0.95 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1va8 s ILE 9 Cb -0.04 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1va8 s ILE 9 CO -0.02 0.54 0.00 0.35 0.00 0.00 0.00 174.94 175.81 1va8 n THR 10 N 2.03 0.00 0.00 2.92 -2.24 -1.26 -5.08 114.28 110.64 1va8 n THR 10 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1va8 n THR 10 Cb 0.52 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1va8 n THR 10 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1va8 n ASP 11 N -2.43 0.00 -3.41 3.42 8.00 -1.26 -5.06 116.55 115.80 1va8 n ASP 11 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1va8 n ASP 11 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1va8 n ASP 11 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1va8 s GLU 12 N 0.00 0.33 -1.19 -1.24 2.12 -1.26 -4.86 118.70 112.60 1va8 s GLU 12 Ca 0.00 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1va8 s GLU 12 Cb 0.00 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.70 1va8 s GLU 12 CO 0.00 -1.04 0.00 0.54 -0.54 0.00 0.00 175.26 174.22 1va8 n ARG 13 N 5.27 -1.46 -0.20 4.30 1.74 -1.26 -4.67 116.66 120.37 1va8 n ARG 13 Ca -0.02 0.66 0.03 0.00 -0.77 0.00 0.00 57.85 57.75 1va8 n ARG 13 Cb 0.46 -4.96 0.04 0.00 -1.02 0.00 0.00 32.46 26.99 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 -2.09 0.74 -1.36 1.55 0.31 -1.26 -5.09 118.33 111.12 1va8 n VAL 14 Ca -0.12 -0.86 -0.38 0.00 -0.01 0.00 0.00 64.34 62.97 1va8 n VAL 14 Cb 0.43 0.36 0.03 0.00 -0.91 0.00 0.00 33.84 33.75 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 -0.52 -1.66 -0.13 3.52 4.02 -1.26 -4.98 117.16 116.16 1va8 n TYR 15 Ca 0.05 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.37 1va8 n TYR 15 Cb 0.57 -1.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.06 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 0.57 3.48 -1.60 -0.72 4.71 -1.26 -4.89 120.64 120.93 1va8 n GLU 16 Ca 0.10 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.80 1va8 n GLU 16 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.87 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1va8 n SER 17 N 0.00 3.32 -4.76 1.62 3.41 -1.26 -4.95 113.62 111.00 1va8 n SER 17 Ca 0.00 0.44 -0.35 0.00 -0.26 0.00 0.00 58.87 58.70 1va8 n SER 17 Cb 0.00 -1.50 -0.08 0.00 -0.26 0.00 0.00 64.21 62.37 1va8 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1va8 s ILE 18 N 7.03 4.74 -1.16 -1.33 1.09 -1.26 -4.95 121.20 125.36 1va8 s ILE 18 Ca 0.99 -0.17 -0.14 0.00 -1.10 0.00 0.00 60.65 60.22 1va8 s ILE 18 Cb -0.45 -3.06 0.17 0.00 -1.06 0.00 0.00 42.46 38.06 1va8 s ILE 18 CO 0.40 0.54 1.36 -0.83 -0.10 0.00 0.00 174.94 176.31 1va8 s GLY 19 N -1.15 2.39 0.00 6.18 0.00 -1.26 -4.03 107.32 109.45 1va8 s GLY 19 Ca 0.16 -3.31 0.00 0.00 0.00 0.00 0.00 44.72 41.58 1va8 s GLY 19 CO 0.06 1.99 0.00 1.57 0.00 0.00 0.00 173.10 176.72 1va8 n HIS 20 N 5.58 -0.98 -3.12 1.90 -0.00 -1.26 -4.99 115.22 112.35 1va8 n HIS 20 Ca 0.34 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.76 1va8 n HIS 20 Cb 0.44 0.20 0.03 0.00 -0.00 0.00 0.00 29.99 30.65 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1va8 n TYR 21 N -2.20 -2.00 -1.13 1.57 4.02 -1.26 -4.42 117.16 111.75 1va8 n TYR 21 Ca 0.00 0.84 -0.38 0.00 -0.01 0.00 0.00 57.90 58.36 1va8 n TYR 21 Cb 0.00 -1.41 -0.01 0.00 -0.02 0.00 0.00 39.34 37.90 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 0.03 -1.95 3.19 2.72 0.00 -1.26 -1.74 105.19 106.17 1va8 n GLY 22 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.85 2.01 2.48 -0.02 0.00 -1.26 -4.89 105.19 105.35 1va8 n GLY 23 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1va8 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1va8 n GLU 24 N 0.00 0.75 -3.83 1.61 2.13 -0.71 -5.12 120.64 115.47 1va8 n GLU 24 Ca 0.00 -1.98 -0.23 0.00 0.66 0.00 0.00 57.16 55.61 1va8 n GLU 24 Cb 0.00 -0.15 -0.17 0.00 0.27 0.00 0.00 31.44 31.38 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1va8 s THR 25 N -1.29 0.44 -0.10 6.31 -4.23 -1.26 -4.50 115.64 111.02 1va8 s THR 25 Ca 0.39 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 1va8 s THR 25 Cb -0.03 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1va8 s THR 25 CO 0.25 0.26 0.08 0.68 -0.54 0.00 0.00 174.62 175.35 1va8 s VAL 26 N 1.82 4.99 -0.35 2.29 -7.23 -1.26 -4.77 120.40 115.89 1va8 s VAL 26 Ca 0.03 -0.01 -0.09 0.00 -1.81 0.00 0.00 61.98 60.10 1va8 s VAL 26 Cb -0.12 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.68 1va8 s VAL 26 CO -0.05 0.60 0.16 -0.75 -0.31 0.00 0.00 175.10 174.75 1va8 s LYS 27 N -1.02 2.88 0.18 4.82 2.20 -0.10 -4.69 119.74 124.02 1va8 s LYS 27 Ca 0.15 -1.03 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 1va8 s LYS 27 Cb -0.12 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 1va8 s LYS 27 CO 0.04 -0.62 0.79 0.42 -0.36 0.00 0.00 175.35 175.62 1va8 s ILE 28 N 1.52 4.36 -0.07 5.43 1.09 -1.26 -2.59 121.20 129.68 1va8 s ILE 28 Ca 0.02 1.70 -0.03 0.00 -1.10 0.00 0.00 60.65 61.24 1va8 s ILE 28 Cb -0.19 -4.12 0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1va8 s ILE 28 CO 0.05 0.48 0.06 0.68 -0.10 0.00 0.00 174.94 176.12 1va8 s VAL 29 N -1.20 -0.07 -0.67 2.92 -7.23 -0.34 -4.96 120.40 108.84 1va8 s VAL 29 Ca 0.37 0.27 -0.26 0.00 -1.81 0.00 0.00 61.98 60.55 1va8 s VAL 29 Cb -0.23 -0.28 0.04 0.00 0.56 0.00 0.00 36.38 36.48 1va8 s VAL 29 CO 0.26 0.08 1.15 -0.13 -0.31 0.00 0.00 175.10 176.14 1va8 s ARG 30 N 2.15 3.24 -0.15 4.82 0.52 -1.26 -1.69 118.95 126.57 1va8 s ARG 30 Ca 0.04 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 54.84 1va8 s ARG 30 Cb -0.13 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.14 1va8 s ARG 30 CO -0.05 -1.91 0.17 0.42 0.02 0.00 0.00 175.30 173.95 1va8 s ILE 31 N 4.98 5.42 -0.40 1.52 1.01 -0.20 -4.88 121.20 128.64 1va8 s ILE 31 Ca 0.32 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.07 1va8 s ILE 31 Cb -0.11 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1va8 s ILE 31 CO 0.16 0.51 0.51 -1.61 0.00 0.00 0.00 174.94 174.50 1va8 s GLU 32 N -0.24 3.30 0.04 2.79 2.02 -1.26 0.15 118.70 125.51 1va8 s GLU 32 Ca 0.13 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.70 1va8 s GLU 32 Cb -0.12 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 1va8 s GLU 32 CO 0.02 -0.82 -0.20 0.21 0.02 0.00 0.00 175.26 174.49 1va8 s LYS 33 N 2.37 2.02 0.61 1.61 2.20 -0.75 -4.93 119.74 122.88 1va8 s LYS 33 Ca 0.16 -1.00 -0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1va8 s LYS 33 Cb -0.16 -2.15 0.06 0.00 -1.51 0.00 0.00 37.83 34.07 1va8 s LYS 33 CO 0.15 0.54 0.86 0.00 -0.36 0.00 0.00 175.35 176.53 1va8 s ALA 34 N -0.89 3.74 -0.41 3.13 0.00 -1.26 0.20 121.76 126.27 1va8 s ALA 34 Ca 0.14 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1va8 s ALA 34 Cb -0.10 -2.15 0.19 0.00 0.00 0.00 0.00 23.12 21.06 1va8 s ALA 34 CO 0.04 -0.98 1.07 0.54 0.00 0.00 0.00 175.76 176.43 1va8 n ARG 35 N -2.54 1.63 -1.20 0.00 1.74 -1.26 -3.40 116.66 111.63 1va8 n ARG 35 Ca 0.09 -0.81 -0.02 0.00 -0.77 0.00 0.00 57.85 56.35 1va8 n ARG 35 Cb 0.60 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1va8 n ARG 35 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1va8 n ASP 36 N 0.11 -0.43 -4.36 0.55 -0.08 -1.26 -5.13 116.55 105.95 1va8 n ASP 36 Ca 0.12 -1.03 -0.33 0.00 -1.51 0.00 0.00 54.79 52.05 1va8 n ASP 36 Cb 0.68 0.17 -0.15 0.00 2.34 0.00 0.00 41.12 44.16 1va8 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1va8 s ILE 37 N 0.02 2.94 0.29 5.18 -1.09 -1.22 -5.10 121.20 122.22 1va8 s ILE 37 Ca 0.01 -0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 57.44 1va8 s ILE 37 Cb 0.07 -2.22 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 1va8 s ILE 37 CO -0.02 0.53 1.08 -2.16 -1.23 0.00 0.00 174.94 173.14 1va8 s PRO 38 N 0.29 4.59 0.09 2.79 0.04 -1.26 -4.77 135.00 136.77 1va8 s PRO 38 Ca -0.11 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 1va8 s PRO 38 Cb -0.16 -3.11 -0.14 0.00 0.04 0.00 0.00 34.50 31.13 1va8 s PRO 38 CO 0.06 0.19 1.63 1.25 0.04 0.00 0.00 177.00 180.17 1va8 h LEU 39 N 3.66 -0.83 -1.07 -3.56 5.85 -1.97 -1.99 115.31 115.41 1va8 h LEU 39 Ca -0.47 0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.04 1va8 h LEU 39 Cb 1.21 0.27 0.11 0.00 0.37 0.00 0.00 40.66 42.61 1va8 h LEU 39 CO 0.66 -0.47 -0.50 0.61 -0.34 0.00 0.00 178.44 178.40 1va8 n GLY 40 N -1.44 -0.13 2.93 3.75 0.00 -1.26 -1.59 105.19 107.44 1va8 n GLY 40 Ca -0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.24 -0.36 0.19 4.61 0.00 -1.26 0.19 121.76 121.90 1va8 s ALA 41 Ca 0.34 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 1va8 s ALA 41 Cb -0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1va8 s ALA 41 CO 0.53 -0.55 0.57 0.99 0.00 0.00 0.00 175.76 177.30 1va8 s THR 42 N 2.23 4.85 0.03 0.00 2.01 0.52 -4.93 115.64 120.34 1va8 s THR 42 Ca 0.01 0.75 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 1va8 s THR 42 Cb -0.12 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1va8 s THR 42 CO -0.07 0.11 -0.03 0.68 -0.69 0.00 0.00 174.62 174.62 1va8 s VAL 43 N -1.62 0.15 0.46 3.82 -7.23 -1.26 0.03 120.40 114.75 1va8 s VAL 43 Ca 0.42 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 59.54 1va8 s VAL 43 Cb -0.14 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1va8 s VAL 43 CO 0.20 -0.62 0.57 -0.13 -0.31 0.00 0.00 175.10 174.81 1va8 s ARG 44 N -2.07 2.63 -0.48 4.82 0.52 0.26 -4.67 118.95 119.95 1va8 s ARG 44 Ca -0.10 -1.43 -0.06 0.00 -0.52 0.00 0.00 55.73 53.62 1va8 s ARG 44 Cb -0.06 -2.63 0.13 0.00 0.52 0.00 0.00 34.95 32.91 1va8 s ARG 44 CO -0.03 -0.40 0.32 -0.80 0.02 0.00 0.00 175.30 174.40 1va8 s ASN 45 N -4.37 5.49 0.68 0.23 0.02 -1.26 -3.16 114.94 112.57 1va8 s ASN 45 Ca 0.54 -2.13 -0.10 0.00 -1.02 0.00 0.00 52.86 50.15 1va8 s ASN 45 Cb -0.07 -1.92 0.01 0.00 0.02 0.00 0.00 41.25 39.29 1va8 s ASN 45 CO 0.33 -0.58 1.05 -1.61 0.02 0.00 0.00 177.10 176.30 1va8 s GLU 46 N 1.02 2.87 0.02 -0.60 0.41 0.18 -4.91 118.70 117.70 1va8 s GLU 46 Ca 0.09 0.35 -0.04 0.00 -0.41 0.00 0.00 54.97 54.96 1va8 s GLU 46 Cb -0.23 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 1va8 s GLU 46 CO -0.03 -0.96 0.21 -1.33 -0.49 0.00 0.00 175.26 172.67 1va8 n MET 47 N -2.91 -0.05 -0.68 1.61 2.81 -1.26 -2.49 117.12 114.15 1va8 n MET 47 Ca 0.06 0.21 -0.01 0.00 -1.81 0.00 0.00 57.70 56.16 1va8 n MET 47 Cb 0.57 -0.31 -0.01 0.00 -0.71 0.00 0.00 33.22 32.77 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 -0.03 -4.18 7.83 8.00 -1.26 -5.03 116.55 117.70 1va8 n ASP 48 Ca 0.01 -1.58 -0.15 0.00 0.71 0.00 0.00 54.79 53.77 1va8 n ASP 48 Cb 0.04 -0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.69 1.52 -0.48 -2.24 0.01 -1.04 0.34 113.70 111.12 1va8 s SER 49 Ca 0.04 -0.76 -0.10 0.00 1.31 0.00 0.00 55.95 56.44 1va8 s SER 49 Cb 0.04 -0.01 0.12 0.00 0.21 0.00 0.00 66.02 66.38 1va8 s SER 49 CO -0.02 -0.21 0.36 -0.69 0.41 0.00 0.00 173.24 173.09 1va8 s VAL 50 N -2.11 4.32 0.10 3.43 1.01 -1.26 0.48 120.40 126.37 1va8 s VAL 50 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1va8 s VAL 50 Cb -0.05 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1va8 s VAL 50 CO 0.01 -0.77 0.26 -0.63 0.00 0.00 0.00 175.10 173.97 1va8 s ILE 51 N 1.39 5.34 0.47 2.22 1.09 -1.19 -1.06 121.20 129.45 1va8 s ILE 51 Ca 0.05 -0.44 -0.23 0.00 -1.10 0.00 0.00 60.65 58.93 1va8 s ILE 51 Cb -0.26 -3.67 -0.07 0.00 -1.06 0.00 0.00 42.46 37.39 1va8 s ILE 51 CO -0.00 0.04 1.22 -0.63 -0.10 0.00 0.00 174.94 175.46 1va8 s ILE 52 N -1.62 2.86 -0.06 2.92 -1.09 0.54 0.89 121.20 125.65 1va8 s ILE 52 Ca 0.36 0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 59.43 1va8 s ILE 52 Cb -0.12 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1va8 s ILE 52 CO 0.28 0.01 -0.07 -1.54 -1.23 0.00 0.00 174.94 172.39 1va8 n SER 53 N -0.48 1.75 -3.55 3.58 3.41 0.10 -2.82 113.62 115.61 1va8 n SER 53 Ca 0.07 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 1va8 n SER 53 Cb 0.47 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.12 1.24 -0.15 4.33 3.52 -0.48 -4.87 118.95 120.41 1va8 s ARG 54 Ca -0.09 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1va8 s ARG 54 Cb 0.03 0.54 0.02 0.00 -1.56 0.00 0.00 34.95 33.98 1va8 s ARG 54 CO 0.12 -0.52 -0.18 0.42 -0.81 0.00 0.00 175.30 174.33 1va8 s ILE 55 N -3.79 1.86 0.13 4.11 -1.09 -1.26 0.19 121.20 121.34 1va8 s ILE 55 Ca 0.03 -0.83 -0.27 0.00 -2.23 0.00 0.00 60.65 57.35 1va8 s ILE 55 Cb -0.00 -1.68 -0.07 0.00 -1.58 0.00 0.00 42.46 39.13 1va8 s ILE 55 CO -0.11 0.51 0.86 -0.69 -1.23 0.00 0.00 174.94 174.28 1va8 s VAL 56 N 1.19 4.47 -0.41 2.92 1.01 0.51 -4.94 120.40 125.15 1va8 s VAL 56 Ca 0.01 1.86 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 1va8 s VAL 56 Cb -0.14 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1va8 s VAL 56 CO -0.08 0.41 1.01 -0.75 0.00 0.00 0.00 175.10 175.69 1va8 s LYS 57 N -0.48 3.79 0.00 2.72 2.47 -1.26 -3.34 119.74 123.64 1va8 s LYS 57 Ca 0.41 0.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 1va8 s LYS 57 Cb -0.23 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 1va8 s LYS 57 CO 0.27 -1.12 0.00 0.41 0.16 0.00 0.00 175.35 175.08 1va8 n GLY 58 N 4.53 1.47 3.09 5.54 0.00 -1.26 -5.12 105.19 113.44 1va8 n GLY 58 Ca 0.09 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1va8 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1va8 n GLY 59 N 0.00 -3.11 0.11 -0.02 0.00 -1.21 -4.90 105.19 96.06 1va8 n GLY 59 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1va8 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va8 h ALA 60 N -2.93 0.10 -0.71 4.61 0.00 -0.49 -3.22 119.26 116.62 1va8 h ALA 60 Ca -0.37 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.27 1va8 h ALA 60 Cb 1.16 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1va8 h ALA 60 CO 0.24 0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.46 1va8 h ALA 61 N 0.41 0.53 -1.15 0.00 0.00 -1.79 -0.95 119.26 116.31 1va8 h ALA 61 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1va8 h ALA 61 Cb 0.90 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1va8 h ALA 61 CO 0.05 -0.42 0.00 -1.91 0.00 0.00 0.00 179.25 176.97 1va8 n GLU 62 N -5.44 0.00 -0.13 0.00 0.00 -1.22 0.19 120.64 114.04 1va8 n GLU 62 Ca 0.10 0.63 -0.03 0.00 0.00 0.00 0.00 57.16 57.85 1va8 n GLU 62 Cb 0.38 -1.31 -0.03 0.00 0.00 0.00 0.00 31.44 30.48 1va8 n GLU 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1va8 n LYS 63 N -1.94 -0.14 -0.29 5.31 5.02 -0.92 0.79 118.16 125.98 1va8 n LYS 63 Ca 0.00 1.13 0.10 0.00 -2.02 0.00 0.00 58.31 57.52 1va8 n LYS 63 Cb 0.00 -1.68 0.24 0.00 -0.02 0.00 0.00 35.03 33.57 1va8 n LYS 63 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1va8 h SER 64 N 0.00 -0.25 -0.29 4.39 0.02 -0.98 -3.44 113.55 113.00 1va8 h SER 64 Ca 0.05 0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1va8 h SER 64 Cb 0.13 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 1va8 h SER 64 CO -0.30 -0.21 -0.11 0.61 -1.14 0.00 0.00 176.83 175.68 1va8 n GLY 65 N -1.42 0.59 0.21 -3.77 0.00 0.50 -4.78 105.19 96.53 1va8 n GLY 65 Ca 0.19 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1va8 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1va8 h LEU 66 N 0.00 0.00 -9.21 0.99 -0.00 -1.83 -3.43 115.31 101.83 1va8 h LEU 66 Ca -0.13 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.12 1va8 h LEU 66 Cb 1.10 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.61 1va8 h LEU 66 CO 0.19 0.17 -0.56 -0.76 -0.00 0.00 0.00 178.44 177.48 1va8 s LEU 67 N -6.42 3.88 0.01 1.67 1.43 -1.26 -5.01 118.68 112.98 1va8 s LEU 67 Ca 0.03 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1va8 s LEU 67 Cb 0.08 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1va8 s LEU 67 CO 0.65 0.24 -0.08 -1.00 0.23 0.00 0.00 176.35 176.40 1va8 s HIS 68 N -0.04 0.68 -0.22 0.29 3.76 -1.26 -4.92 115.29 113.58 1va8 s HIS 68 Ca 0.06 -0.22 -0.39 0.00 -0.15 0.00 0.00 55.06 54.37 1va8 s HIS 68 Cb -0.12 -0.42 -0.15 0.00 1.11 0.00 0.00 32.58 33.00 1va8 s HIS 68 CO 0.01 -0.02 1.76 0.39 -0.85 0.00 0.00 174.74 176.03 1va8 n GLU 69 N 2.50 1.39 0.00 1.40 1.02 -1.26 -0.93 120.64 124.76 1va8 n GLU 69 Ca -0.16 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1va8 n GLU 69 Cb 0.57 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 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 4.17 0.86 3.75 0.62 0.00 -1.13 -4.90 105.19 108.55 1va8 n GLY 70 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.33 7.30 -0.17 1.61 1.01 -0.10 -3.69 116.67 121.31 1va8 s ASP 71 Ca 0.00 1.55 -0.08 0.00 0.71 0.00 0.00 52.55 54.73 1va8 s ASP 71 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1va8 s ASP 71 CO 0.00 0.04 0.11 -0.70 0.21 0.00 0.00 175.17 174.83 1va8 s GLU 72 N -0.25 3.88 -0.03 8.23 2.12 -1.07 -0.34 118.70 131.24 1va8 s GLU 72 Ca 0.40 -0.23 -0.17 0.00 0.36 0.00 0.00 54.97 55.33 1va8 s GLU 72 Cb -0.22 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1va8 s GLU 72 CO 0.25 0.45 0.47 0.08 -0.54 0.00 0.00 175.26 175.97 1va8 s VAL 73 N -0.10 5.03 0.00 3.70 1.01 -0.23 -1.92 120.40 127.89 1va8 s VAL 73 Ca 0.09 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1va8 s VAL 73 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1va8 s VAL 73 CO 0.00 0.48 0.00 0.18 0.00 0.00 0.00 175.10 175.76 1va8 n LEU 74 N 2.52 0.60 -3.77 3.92 4.77 -0.24 -3.61 117.00 121.18 1va8 n LEU 74 Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1va8 n LEU 74 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1va8 n LEU 74 CO 0.40 0.05 -0.00 -1.61 -1.33 0.00 0.00 177.39 174.91 1va8 s GLU 75 N -1.97 0.49 -0.25 3.23 2.02 -1.08 -0.82 118.70 120.33 1va8 s GLU 75 Ca 0.00 0.18 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 1va8 s GLU 75 Cb 0.00 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.54 1va8 s GLU 75 CO 0.00 -0.10 0.08 0.42 0.02 0.00 0.00 175.26 175.68 1va8 s ILE 76 N -0.44 0.45 0.00 -1.63 1.01 0.51 0.64 121.20 121.73 1va8 s ILE 76 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1va8 s ILE 76 Cb -0.04 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1va8 s ILE 76 CO 0.02 -0.47 0.00 -3.20 0.00 0.00 0.00 174.94 171.29 1va8 n ASN 77 N 5.05 -1.70 0.00 3.58 2.85 0.37 -2.25 115.26 123.17 1va8 n ASN 77 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1va8 n ASN 77 Cb 0.45 -0.97 0.00 0.00 1.24 0.00 0.00 39.78 40.50 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 -1.96 1.60 3.76 8.20 0.00 -1.26 -4.80 105.19 110.73 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 -1.70 3.20 0.45 -0.61 1.09 -0.95 -4.54 121.20 118.13 1va8 s ILE 79 Ca 0.00 1.17 -0.22 0.00 -1.10 0.00 0.00 60.65 60.50 1va8 s ILE 79 Cb 0.00 -3.75 -0.09 0.00 -1.06 0.00 0.00 42.46 37.57 1va8 s ILE 79 CO 0.00 0.27 1.05 -0.70 -0.10 0.00 0.00 174.94 175.45 1va8 s GLU 80 N -1.38 3.96 0.00 2.79 2.12 -1.26 -0.36 118.70 124.56 1va8 s GLU 80 Ca 0.47 1.45 0.00 0.00 0.36 0.00 0.00 54.97 57.25 1va8 s GLU 80 Cb -0.35 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1va8 s GLU 80 CO 0.45 -0.31 0.00 -0.89 -0.54 0.00 0.00 175.26 173.97 1va8 n ILE 81 N -0.54 0.00 -1.45 -3.70 2.08 0.00 -4.85 119.36 110.89 1va8 n ILE 81 Ca 0.07 0.00 -0.48 0.00 0.56 0.00 0.00 62.75 62.91 1va8 n ILE 81 Cb 0.51 -0.82 -0.08 0.00 -0.75 0.00 0.00 39.64 38.49 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 -2.58 0.81 0.00 0.38 0.63 -1.22 0.15 116.66 114.82 1va8 n ARG 82 Ca 0.00 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1va8 n ARG 82 Cb 0.39 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 30.93 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 6.54 1.63 0.75 5.14 0.00 0.15 -4.93 105.19 114.47 1va8 n GLY 83 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.19 -2.18 -4.48 1.61 5.02 0.39 -4.95 118.16 113.38 1va8 n LYS 84 Ca 0.00 -0.36 -0.24 0.00 -2.02 0.00 0.00 58.31 55.69 1va8 n LYS 84 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.22 3.54 0.14 4.39 2.15 -1.26 -4.85 116.67 118.56 1va8 s ASP 85 Ca 0.16 -1.09 -0.19 0.00 0.43 0.00 0.00 52.55 51.85 1va8 s ASP 85 Cb -0.02 -0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.32 1va8 s ASP 85 CO 0.13 -0.07 1.69 -0.37 -0.17 0.00 0.00 175.17 176.37 1va8 h VAL 86 N 2.21 0.70 -0.37 1.11 -1.51 -1.93 0.61 116.25 117.08 1va8 h VAL 86 Ca -0.41 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.11 1va8 h VAL 86 Cb 1.25 0.70 -0.04 0.00 -2.13 0.00 0.00 31.29 31.07 1va8 h VAL 86 CO 0.64 0.00 0.12 -1.13 -1.23 0.00 0.00 177.57 175.97 1va8 h ASN 87 N -0.02 0.12 0.09 4.19 -0.73 -1.98 0.37 115.58 117.63 1va8 h ASN 87 Ca 0.14 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.35 1va8 h ASN 87 Cb 0.22 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1va8 h ASN 87 CO -0.29 0.11 -0.11 -0.33 -0.37 0.00 0.00 177.43 176.43 1va8 h GLU 88 N 0.27 -0.23 -0.70 6.67 4.39 -1.66 1.02 114.58 124.33 1va8 h GLU 88 Ca 0.17 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.95 1va8 h GLU 88 Cb 0.15 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1va8 h GLU 88 CO -0.18 -0.15 0.39 0.28 -1.16 0.00 0.00 179.01 178.18 1va8 h VAL 89 N -0.24 0.93 0.65 3.13 2.07 0.68 0.51 116.25 123.99 1va8 h VAL 89 Ca 0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1va8 h VAL 89 Cb 0.24 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1va8 h VAL 89 CO -0.05 0.13 -0.31 -0.26 0.02 0.00 0.00 177.57 177.10 1va8 h PHE 90 N 0.69 -0.81 -0.94 1.57 0.04 0.32 -2.42 116.94 115.39 1va8 h PHE 90 Ca 0.33 -0.02 0.24 0.00 2.80 0.00 0.00 57.97 61.32 1va8 h PHE 90 Cb 0.25 0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.61 1va8 h PHE 90 CO -0.08 -0.51 0.64 0.22 -0.60 0.00 0.00 178.31 177.98 1va8 h ASP 91 N -1.16 0.24 0.00 2.17 1.82 0.12 0.16 116.42 119.76 1va8 h ASP 91 Ca -0.09 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1va8 h ASP 91 Cb 0.67 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1va8 h ASP 91 CO 0.15 0.08 0.00 0.18 -1.61 0.00 0.00 179.24 178.04 1va8 n LEU 92 N -4.42 0.00 -0.15 2.28 4.77 0.18 -1.54 117.00 118.12 1va8 n LEU 92 Ca 0.20 0.93 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 1va8 n LEU 92 Cb 0.86 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1va8 n LEU 92 CO 0.33 -0.43 0.70 -0.07 -1.33 0.00 0.00 177.39 176.59 1va8 h LEU 93 N 0.00 -0.78 -0.96 2.23 3.38 -0.89 0.91 115.31 119.19 1va8 h LEU 93 Ca 0.00 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.34 1va8 h LEU 93 Cb 0.00 0.42 -0.18 0.00 0.09 0.00 0.00 40.66 40.99 1va8 h LEU 93 CO 0.00 -0.25 -0.24 -0.24 0.09 0.00 0.00 178.44 177.80 1va8 n SER 94 N -5.41 -0.35 -0.17 -0.43 2.88 0.48 0.20 113.62 110.82 1va8 n SER 94 Ca 0.04 1.65 -0.09 0.00 -1.33 0.00 0.00 58.87 59.14 1va8 n SER 94 Cb 0.32 -0.50 0.01 0.00 -0.75 0.00 0.00 64.21 63.28 1va8 n SER 94 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1va8 h ASP 95 N 0.00 0.82 -4.34 -3.46 1.82 0.18 -3.44 116.42 108.00 1va8 h ASP 95 Ca 0.46 -0.28 -0.48 0.00 -0.39 0.00 0.00 57.03 56.35 1va8 h ASP 95 Cb 0.70 -0.22 0.11 0.00 0.68 0.00 0.00 39.33 40.60 1va8 h ASP 95 CO -0.99 0.89 0.34 -0.04 -1.61 0.00 0.00 179.24 177.83 1va8 s MET 96 N -5.13 1.84 0.12 0.28 1.00 0.52 -5.08 119.30 112.84 1va8 s MET 96 Ca -0.13 0.42 -0.26 0.00 0.00 0.00 0.00 55.69 55.73 1va8 s MET 96 Cb 0.12 -1.91 0.07 0.00 0.00 0.00 0.00 34.83 33.11 1va8 s MET 96 CO 0.81 -1.74 0.90 -3.38 0.00 0.00 0.00 175.02 171.61 1va8 s HIS 97 N -3.29 -0.22 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.23 1va8 s HIS 97 Ca 0.62 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 1va8 s HIS 97 Cb -0.14 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1va8 s HIS 97 CO 0.53 -0.78 0.00 0.41 -2.00 0.00 0.00 174.74 172.90 1va8 n GLY 98 N -0.40 -1.87 3.55 -1.38 0.00 0.53 -4.71 105.19 100.91 1va8 n GLY 98 Ca -0.07 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 3.22 0.18 2.61 2.01 -1.25 -1.81 115.64 120.59 1va8 s THR 99 Ca 0.00 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 1va8 s THR 99 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1va8 s THR 99 CO 0.00 -0.53 0.45 -0.76 -0.69 0.00 0.00 174.62 173.08 1va8 s LEU 100 N 10.85 4.23 -0.49 4.42 1.02 0.12 -4.86 118.68 133.97 1va8 s LEU 100 Ca 0.80 0.73 -0.11 0.00 0.02 0.00 0.00 54.13 55.56 1va8 s LEU 100 Cb -0.13 -3.46 0.12 0.00 0.02 0.00 0.00 46.19 42.74 1va8 s LEU 100 CO 0.18 0.00 0.39 -0.89 0.02 0.00 0.00 176.35 176.05 1va8 s THR 101 N -1.72 4.54 -0.22 5.49 2.01 -1.26 -1.03 115.64 123.44 1va8 s THR 101 Ca 0.44 -1.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.55 1va8 s THR 101 Cb -0.12 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1va8 s THR 101 CO 0.23 -0.79 0.71 -0.36 -0.69 0.00 0.00 174.62 173.73 1va8 s PHE 102 N 1.44 3.34 -0.60 4.92 0.40 -0.68 -0.48 117.98 126.33 1va8 s PHE 102 Ca 0.05 1.01 -0.08 0.00 -0.60 0.00 0.00 56.93 57.30 1va8 s PHE 102 Cb -0.27 -2.91 0.15 0.00 0.51 0.00 0.00 43.02 40.50 1va8 s PHE 102 CO 0.01 -0.28 0.46 0.08 0.70 0.00 0.00 175.22 176.19 1va8 s VAL 103 N 2.35 4.33 0.15 -0.44 1.01 0.21 -1.20 120.40 126.81 1va8 s VAL 103 Ca 0.31 -2.32 0.01 0.00 0.00 0.00 0.00 61.98 59.98 1va8 s VAL 103 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1va8 s VAL 103 CO 0.09 -0.86 0.01 -1.48 0.00 0.00 0.00 175.10 172.86 1va8 s LEU 104 N 0.64 2.08 -0.14 3.92 0.05 -1.07 -1.08 118.68 123.08 1va8 s LEU 104 Ca 0.12 -1.16 -0.01 0.00 0.05 0.00 0.00 54.13 53.12 1va8 s LEU 104 Cb -0.21 0.03 -0.02 0.00 -2.05 0.00 0.00 46.19 43.94 1va8 s LEU 104 CO -0.03 -0.60 -0.09 -0.63 -0.55 0.00 0.00 176.35 174.44 1va8 s ILE 105 N -3.75 3.40 -0.19 1.48 1.01 -0.81 -0.92 121.20 121.42 1va8 s ILE 105 Ca 0.23 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1va8 s ILE 105 Cb 0.06 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1va8 s ILE 105 CO 0.02 0.51 1.29 -2.16 0.00 0.00 0.00 174.94 174.61 1va8 s PRO 106 N 0.31 4.15 -1.30 2.79 0.04 -1.26 -2.60 135.00 137.13 1va8 s PRO 106 Ca -0.08 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1va8 s PRO 106 Cb -0.15 -3.80 0.08 0.00 0.04 0.00 0.00 34.50 30.66 1va8 s PRO 106 CO 0.04 -0.81 1.75 0.45 0.04 0.00 0.00 177.00 178.47 1va8 n SER 107 N 6.89 4.89 -2.43 6.66 2.88 -1.24 -4.82 113.62 126.44 1va8 n SER 107 Ca 0.14 -2.92 -0.20 0.00 -1.33 0.00 0.00 58.87 54.56 1va8 n SER 107 Cb 0.45 -1.73 -0.12 0.00 -0.75 0.00 0.00 64.21 62.07 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 7.96 6.10 -3.50 -3.46 7.64 -1.26 -4.56 113.62 122.54 1va8 n SER 108 Ca 0.48 -2.47 -0.27 0.00 1.01 0.00 0.00 58.87 57.62 1va8 n SER 108 Cb 0.45 -1.41 -0.10 0.00 -1.01 0.00 0.00 64.21 62.14 1va8 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1va8 n GLY 109 N 2.87 2.71 3.57 0.23 0.00 -1.26 -5.08 105.19 108.23 1va8 n GLY 109 Ca 0.52 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.48 3.18 0.18 1.61 0.04 -1.26 -4.66 135.00 133.62 1va8 s PRO 110 Ca 0.31 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1va8 s PRO 110 Cb 0.03 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1va8 s PRO 110 CO -0.18 -2.08 0.00 0.45 0.04 0.00 0.00 177.00 175.23 1va8 n SER 111 N 10.14 0.38 -4.76 6.66 2.88 -1.26 -5.07 113.62 122.59 1va8 n SER 111 Ca 0.14 0.29 -0.40 0.00 -1.33 0.00 0.00 58.87 57.57 1va8 n SER 111 Cb 0.49 0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 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 -5.42 7.39 0.00 -3.46 0.01 -1.26 -5.35 113.70 105.61 1va8 s SER 112 Ca 0.00 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1va8 s SER 112 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1va8 s SER 112 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22