#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 -0.18 0.82 1.61 1.04 -1.26 -5.17 113.70 110.57 1va8 s SER 2 Ca 0.00 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 1va8 s SER 2 Cb 0.00 0.63 0.11 0.00 0.10 0.00 0.00 66.02 66.86 1va8 s SER 2 CO 0.00 -1.18 1.18 -0.44 0.98 0.00 0.00 173.24 173.77 1va8 s SER 3 N -2.96 4.21 0.26 7.02 0.01 -1.26 -5.01 113.70 115.97 1va8 s SER 3 Ca 0.16 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1va8 s SER 3 Cb -0.02 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1va8 s SER 3 CO 0.06 -2.05 0.00 0.61 0.41 0.00 0.00 173.24 172.27 1va8 n GLY 4 N -3.33 -1.63 3.15 3.44 0.00 -1.26 -5.14 105.19 100.41 1va8 n GLY 4 Ca 0.10 0.35 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 1va8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1va8 n SER 5 N -3.04 -2.98 -3.73 1.61 7.64 -1.26 -5.02 113.62 106.83 1va8 n SER 5 Ca 0.00 -0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1va8 n SER 5 Cb 0.00 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.42 1va8 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1va8 s SER 6 N -1.43 -0.18 -0.31 6.43 0.15 -1.26 -5.14 113.70 111.96 1va8 s SER 6 Ca 0.46 -0.51 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 1va8 s SER 6 Cb -0.04 0.58 0.10 0.00 -1.71 0.00 0.00 66.02 64.95 1va8 s SER 6 CO 0.68 -1.08 0.12 -0.83 1.20 0.00 0.00 173.24 173.33 1va8 s GLY 7 N -2.97 0.92 0.17 9.45 0.00 -1.26 -5.13 107.32 108.50 1va8 s GLY 7 Ca 0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 1va8 s GLY 7 CO 0.04 1.78 0.19 -1.55 0.00 0.00 0.00 173.10 173.56 1va8 n PRO 8 N 4.85 -0.76 -2.31 2.90 -0.04 -1.26 -4.98 135.00 133.40 1va8 n PRO 8 Ca -0.02 -0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 62.74 1va8 n PRO 8 Cb 0.41 -0.23 -0.03 0.00 -0.04 0.00 0.00 33.50 33.61 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 -1.38 3.40 0.17 0.52 1.01 -1.26 -5.03 121.20 118.63 1va8 s ILE 9 Ca 0.11 1.19 0.10 0.00 0.00 0.00 0.00 60.65 62.05 1va8 s ILE 9 Cb -0.01 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1va8 s ILE 9 CO 0.08 0.20 -0.21 -0.89 0.00 0.00 0.00 174.94 174.12 1va8 s THR 10 N -0.11 2.03 -0.61 2.92 2.01 -1.26 -5.08 115.64 115.54 1va8 s THR 10 Ca 0.53 -1.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.33 1va8 s THR 10 Cb -0.34 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1va8 s THR 10 CO 0.38 -0.20 1.29 1.51 -0.69 0.00 0.00 174.62 176.91 1va8 s ASP 11 N -2.59 6.27 -0.59 3.53 -4.77 -1.26 -4.88 116.67 112.37 1va8 s ASP 11 Ca 0.17 0.05 -0.07 0.00 -3.30 0.00 0.00 52.55 49.39 1va8 s ASP 11 Cb -0.07 -2.55 -0.20 0.00 -1.09 0.00 0.00 42.92 39.00 1va8 s ASP 11 CO 0.08 -1.65 3.39 -1.84 0.70 0.00 0.00 175.17 175.85 1va8 n GLU 12 N 8.73 2.62 -2.90 2.11 0.28 -1.26 -4.32 120.64 125.90 1va8 n GLU 12 Ca 0.09 -1.44 -0.13 0.00 -0.16 0.00 0.00 57.16 55.51 1va8 n GLU 12 Cb 0.49 -2.29 0.01 0.00 1.43 0.00 0.00 31.44 31.08 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 2.88 0.72 -0.55 3.44 1.85 -1.26 -4.91 116.66 118.83 1va8 n ARG 13 Ca 0.56 -2.23 -0.00 0.00 -1.00 0.00 0.00 57.85 55.18 1va8 n ARG 13 Cb 0.67 -1.40 -0.00 0.00 -1.05 0.00 0.00 32.46 30.67 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 1.73 0.00 -3.13 8.89 0.31 -1.26 -5.12 118.33 119.75 1va8 n VAL 14 Ca 0.14 -0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.26 1va8 n VAL 14 Cb 0.59 0.29 0.01 0.00 -0.91 0.00 0.00 33.84 33.82 1va8 n VAL 14 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1va8 s TYR 15 N 0.00 2.89 0.00 3.52 1.51 -1.26 -5.13 117.35 118.88 1va8 s TYR 15 Ca 0.01 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1va8 s TYR 15 Cb 0.01 -2.28 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1va8 s TYR 15 CO -0.01 -0.32 0.00 -1.91 -1.11 0.00 0.00 175.55 172.21 1va8 n GLU 16 N -1.80 3.47 -1.77 -0.62 2.13 -1.26 -4.92 120.64 115.87 1va8 n GLU 16 Ca 0.06 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.46 1va8 n GLU 16 Cb 0.59 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.27 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1va8 s SER 17 N -1.00 6.47 0.23 4.31 1.04 -1.26 -4.87 113.70 118.62 1va8 s SER 17 Ca 0.00 2.70 0.16 0.00 0.48 0.00 0.00 55.95 59.29 1va8 s SER 17 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1va8 s SER 17 CO 0.00 -0.97 1.28 0.40 0.98 0.00 0.00 173.24 174.93 1va8 h ILE 18 N 4.62 0.69 0.00 -1.02 1.08 -1.99 -3.48 117.51 117.42 1va8 h ILE 18 Ca -0.45 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1va8 h ILE 18 Cb 1.21 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 1va8 h ILE 18 CO 0.94 0.40 0.00 0.61 -0.69 0.00 0.00 178.15 179.41 1va8 n GLY 19 N 1.26 2.22 3.06 5.37 0.00 -1.26 -4.76 105.19 111.08 1va8 n GLY 19 Ca -0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.10 -1.80 1.61 8.25 -1.26 -2.42 115.22 121.70 1va8 n HIS 20 Ca 0.00 -1.95 -0.20 0.00 -0.26 0.00 0.00 57.72 55.31 1va8 n HIS 20 Cb 0.00 -1.83 -0.09 0.00 1.12 0.00 0.00 29.99 29.20 1va8 n HIS 20 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1va8 s TYR 21 N 4.88 1.52 -0.56 4.41 1.51 -1.19 -3.31 117.35 124.61 1va8 s TYR 21 Ca 0.56 1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 58.09 1va8 s TYR 21 Cb 0.14 -3.63 -0.03 0.00 -0.11 0.00 0.00 41.96 38.33 1va8 s TYR 21 CO 0.09 -1.04 0.50 0.41 -1.11 0.00 0.00 175.55 174.40 1va8 n GLY 22 N 6.16 -0.48 5.00 0.71 0.00 -1.26 -3.63 105.19 111.69 1va8 n GLY 22 Ca 0.43 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.38 1.18 0.12 -0.02 0.00 -1.21 -4.89 105.19 98.99 1va8 n GLY 23 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.09 -3.73 1.61 2.13 -1.24 -4.88 120.64 113.44 1va8 n GLU 24 Ca 0.00 -0.04 -0.16 0.00 0.66 0.00 0.00 57.16 57.61 1va8 n GLU 24 Cb 0.00 -0.06 -0.16 0.00 0.27 0.00 0.00 31.44 31.48 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 -0.80 -0.09 -0.10 6.31 -4.23 -1.26 -3.14 115.64 112.32 1va8 s THR 25 Ca 0.02 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1va8 s THR 25 Cb -0.00 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.67 1va8 s THR 25 CO 0.02 0.12 -0.05 0.68 -0.54 0.00 0.00 174.62 174.84 1va8 s VAL 26 N 1.51 3.82 -0.36 2.29 -7.23 -1.01 -4.79 120.40 114.63 1va8 s VAL 26 Ca -0.04 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.56 1va8 s VAL 26 Cb -0.12 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1va8 s VAL 26 CO -0.04 0.56 0.34 -0.75 -0.31 0.00 0.00 175.10 174.91 1va8 s LYS 27 N -0.41 3.45 0.21 4.82 2.20 -0.20 -4.82 119.74 124.99 1va8 s LYS 27 Ca 0.06 -0.56 -0.16 0.00 -0.36 0.00 0.00 55.97 54.95 1va8 s LYS 27 Cb -0.12 -3.84 -0.08 0.00 -1.51 0.00 0.00 37.83 32.28 1va8 s LYS 27 CO 0.02 -0.56 0.65 0.42 -0.36 0.00 0.00 175.35 175.52 1va8 s ILE 28 N 1.94 4.71 -0.15 5.43 1.09 -1.26 -2.15 121.20 130.82 1va8 s ILE 28 Ca 0.10 1.01 -0.05 0.00 -1.10 0.00 0.00 60.65 60.61 1va8 s ILE 28 Cb -0.17 -3.75 0.07 0.00 -1.06 0.00 0.00 42.46 37.55 1va8 s ILE 28 CO 0.11 0.13 0.29 0.68 -0.10 0.00 0.00 174.94 176.05 1va8 s VAL 29 N -1.61 -0.46 -0.33 2.92 -7.23 0.60 -4.96 120.40 109.33 1va8 s VAL 29 Ca 0.44 0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 60.70 1va8 s VAL 29 Cb -0.15 -0.51 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1va8 s VAL 29 CO 0.20 0.08 0.27 -0.13 -0.31 0.00 0.00 175.10 175.22 1va8 s ARG 30 N 2.45 3.56 -0.10 4.82 0.52 -1.26 0.33 118.95 129.28 1va8 s ARG 30 Ca 0.01 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1va8 s ARG 30 Cb -0.12 -3.79 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1va8 s ARG 30 CO -0.10 -0.44 -0.13 0.42 0.02 0.00 0.00 175.30 175.07 1va8 s ILE 31 N 1.82 3.09 -0.55 1.52 1.01 -0.49 -4.89 121.20 122.70 1va8 s ILE 31 Ca 0.08 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 1va8 s ILE 31 Cb -0.17 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.07 1va8 s ILE 31 CO 0.11 0.55 1.06 -1.61 0.00 0.00 0.00 174.94 175.05 1va8 s GLU 32 N -0.09 3.45 0.25 2.79 2.02 -1.26 -0.89 118.70 124.96 1va8 s GLU 32 Ca -0.02 0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.09 1va8 s GLU 32 Cb -0.14 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 1va8 s GLU 32 CO 0.04 -1.55 0.12 0.21 0.02 0.00 0.00 175.26 174.10 1va8 s LYS 33 N 4.42 2.71 0.41 1.61 2.20 -0.40 -4.87 119.74 125.81 1va8 s LYS 33 Ca 0.37 -1.15 0.07 0.00 -0.36 0.00 0.00 55.97 54.91 1va8 s LYS 33 Cb -0.10 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 1va8 s LYS 33 CO 0.23 0.40 0.27 0.00 -0.36 0.00 0.00 175.35 175.89 1va8 s ALA 34 N -2.14 3.80 -2.03 3.13 0.00 -1.26 0.70 121.76 123.96 1va8 s ALA 34 Ca 0.32 -2.01 0.09 0.00 0.00 0.00 0.00 51.96 50.36 1va8 s ALA 34 Cb -0.08 -0.67 0.41 0.00 0.00 0.00 0.00 23.12 22.79 1va8 s ALA 34 CO 0.23 -0.19 1.28 0.54 0.00 0.00 0.00 175.76 177.62 1va8 n ARG 35 N -1.37 1.21 -0.63 0.00 1.74 -1.26 -3.08 116.66 113.26 1va8 n ARG 35 Ca 0.01 -0.32 -0.00 0.00 -0.77 0.00 0.00 57.85 56.77 1va8 n ARG 35 Cb 0.63 -1.16 -0.00 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.32 0.04 -4.38 0.55 -0.08 -1.26 -5.08 116.55 106.02 1va8 n ASP 36 Ca 0.07 -1.69 -0.33 0.00 -1.51 0.00 0.00 54.79 51.33 1va8 n ASP 36 Cb 0.10 -0.12 -0.14 0.00 2.34 0.00 0.00 41.12 43.30 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 0.00 3.10 0.73 5.18 -1.09 -1.18 -5.11 121.20 122.84 1va8 s ILE 37 Ca 0.03 -0.64 -0.11 0.00 -2.23 0.00 0.00 60.65 57.70 1va8 s ILE 37 Cb 0.04 -2.30 0.03 0.00 -1.58 0.00 0.00 42.46 38.65 1va8 s ILE 37 CO -0.02 0.52 1.07 -2.16 -1.23 0.00 0.00 174.94 173.13 1va8 s PRO 38 N 0.33 2.62 -0.08 2.79 0.04 -1.26 -4.58 135.00 134.85 1va8 s PRO 38 Ca -0.10 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1va8 s PRO 38 Cb -0.16 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1va8 s PRO 38 CO 0.05 -1.29 0.40 1.25 0.04 0.00 0.00 177.00 177.45 1va8 h LEU 39 N -0.86 -0.15 -0.88 -3.56 5.85 -1.95 -3.12 115.31 110.65 1va8 h LEU 39 Ca -0.45 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 57.96 1va8 h LEU 39 Cb 1.23 0.04 0.04 0.00 0.37 0.00 0.00 40.66 42.35 1va8 h LEU 39 CO 0.58 0.40 -0.22 0.61 -0.34 0.00 0.00 178.44 179.47 1va8 n GLY 40 N 1.20 0.44 2.93 3.75 0.00 -1.26 -1.21 105.19 111.04 1va8 n GLY 40 Ca -0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.08 -0.39 0.28 4.61 0.00 -1.26 0.20 121.76 122.12 1va8 s ALA 41 Ca 0.19 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1va8 s ALA 41 Cb -0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 1va8 s ALA 41 CO 0.23 -0.66 0.73 0.99 0.00 0.00 0.00 175.76 177.05 1va8 s THR 42 N 2.37 4.63 0.02 0.00 2.01 0.46 -4.92 115.64 120.21 1va8 s THR 42 Ca 0.02 1.09 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 1va8 s THR 42 Cb -0.12 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1va8 s THR 42 CO -0.08 -0.03 0.00 0.68 -0.69 0.00 0.00 174.62 174.51 1va8 s VAL 43 N -1.80 0.11 0.11 3.82 -7.23 -1.26 -0.41 120.40 113.74 1va8 s VAL 43 Ca 0.50 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1va8 s VAL 43 Cb -0.13 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1va8 s VAL 43 CO 0.19 -0.48 0.12 -0.13 -0.31 0.00 0.00 175.10 174.49 1va8 s ARG 44 N -1.47 2.96 -0.42 4.82 0.52 0.58 -4.66 118.95 121.29 1va8 s ARG 44 Ca -0.16 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.14 1va8 s ARG 44 Cb -0.09 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.67 1va8 s ARG 44 CO -0.01 0.54 0.46 1.21 0.02 0.00 0.00 175.30 177.51 1va8 s ASN 45 N -2.72 6.21 0.47 0.23 3.04 -1.26 -1.80 114.94 119.10 1va8 s ASN 45 Ca 0.31 -0.64 -0.00 0.00 0.04 0.00 0.00 52.86 52.56 1va8 s ASN 45 Cb -0.11 -2.23 -0.00 0.00 -1.54 0.00 0.00 41.25 37.36 1va8 s ASN 45 CO 0.23 -0.60 0.70 -1.61 -3.04 0.00 0.00 177.10 172.78 1va8 s GLU 46 N 2.20 3.05 0.00 0.43 0.41 0.21 -4.93 118.70 120.06 1va8 s GLU 46 Ca 0.13 -0.43 -0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1va8 s GLU 46 Cb -0.17 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1va8 s GLU 46 CO 0.14 -0.32 0.01 -1.33 -0.49 0.00 0.00 175.26 173.27 1va8 n MET 47 N -2.14 -0.00 -0.70 1.61 2.81 -1.26 -2.26 117.12 115.18 1va8 n MET 47 Ca 0.02 0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.91 1va8 n MET 47 Cb 0.58 -0.02 -0.02 0.00 -0.71 0.00 0.00 33.22 33.05 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 -4.01 -0.17 -4.16 7.83 9.92 -1.26 -4.98 116.55 119.71 1va8 n ASP 48 Ca 0.00 -1.49 -0.15 0.00 -0.53 0.00 0.00 54.79 52.62 1va8 n ASP 48 Cb 0.00 0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.39 1va8 n ASP 48 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1va8 s SER 49 N -0.58 1.43 -0.35 -2.24 0.01 -0.96 0.16 113.70 111.18 1va8 s SER 49 Ca 0.03 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.43 1va8 s SER 49 Cb 0.03 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1va8 s SER 49 CO -0.01 -0.22 0.19 -0.69 0.41 0.00 0.00 173.24 172.91 1va8 s VAL 50 N -2.11 4.64 -0.09 3.43 1.01 -1.26 0.65 120.40 126.67 1va8 s VAL 50 Ca 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1va8 s VAL 50 Cb -0.05 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1va8 s VAL 50 CO 0.01 -0.10 -0.16 -0.63 0.00 0.00 0.00 175.10 174.21 1va8 s ILE 51 N 1.59 2.82 0.55 2.22 1.09 -0.74 -1.60 121.20 127.12 1va8 s ILE 51 Ca 0.03 -0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 58.60 1va8 s ILE 51 Cb -0.18 -2.13 -0.06 0.00 -1.06 0.00 0.00 42.46 39.04 1va8 s ILE 51 CO 0.07 0.56 1.16 -0.38 -0.10 0.00 0.00 174.94 176.24 1va8 n ILE 52 N 3.02 3.61 -0.02 2.92 2.08 0.40 0.22 119.36 131.59 1va8 n ILE 52 Ca -0.18 -0.50 -0.06 0.00 0.56 0.00 0.00 62.75 62.57 1va8 n ILE 52 Cb 0.52 -1.39 -0.02 0.00 -0.75 0.00 0.00 39.64 38.00 1va8 n ILE 52 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1va8 n SER 53 N -0.71 0.66 -3.88 4.38 3.41 0.46 -2.50 113.62 115.43 1va8 n SER 53 Ca 0.12 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.74 1va8 n SER 53 Cb 0.45 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.14 1.13 -0.17 4.33 3.52 -0.80 -4.83 118.95 119.99 1va8 s ARG 54 Ca -0.09 -1.05 0.01 0.00 -0.13 0.00 0.00 55.73 54.47 1va8 s ARG 54 Cb 0.03 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1va8 s ARG 54 CO 0.11 -0.42 -0.16 0.42 -0.81 0.00 0.00 175.30 174.44 1va8 s ILE 55 N -3.92 1.80 0.35 4.11 -1.09 -1.26 0.17 121.20 121.36 1va8 s ILE 55 Ca 0.13 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.61 1va8 s ILE 55 Cb 0.03 -1.68 -0.08 0.00 -1.58 0.00 0.00 42.46 39.15 1va8 s ILE 55 CO -0.03 0.47 0.73 -0.69 -1.23 0.00 0.00 174.94 174.18 1va8 s VAL 56 N 1.39 4.75 0.43 2.92 1.01 0.54 -4.93 120.40 126.50 1va8 s VAL 56 Ca 0.04 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 1va8 s VAL 56 Cb -0.13 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1va8 s VAL 56 CO -0.11 -0.31 0.84 -0.75 0.00 0.00 0.00 175.10 174.76 1va8 s LYS 57 N -3.32 3.88 0.00 2.72 2.47 -1.26 -3.62 119.74 120.61 1va8 s LYS 57 Ca 0.52 0.67 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 1va8 s LYS 57 Cb -0.10 -2.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.96 1va8 s LYS 57 CO 0.23 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.08 1va8 n GLY 58 N -1.22 0.93 3.86 5.54 0.00 -1.26 -4.95 105.19 108.10 1va8 n GLY 58 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 0.56 -0.02 0.00 -1.24 -4.86 107.32 102.12 1va8 s GLY 59 Ca 0.00 -0.17 0.28 0.00 0.00 0.00 0.00 44.72 44.82 1va8 s GLY 59 CO 0.00 0.03 1.97 0.00 0.00 0.00 0.00 173.10 175.10 1va8 h ALA 60 N 2.88 2.32 0.37 3.20 0.00 -1.10 1.07 119.26 128.01 1va8 h ALA 60 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1va8 h ALA 60 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1va8 h ALA 60 CO 0.67 -0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 1va8 h ALA 61 N 1.63 -0.50 0.01 0.00 0.00 -1.80 -2.81 119.26 115.79 1va8 h ALA 61 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1va8 h ALA 61 Cb 1.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1va8 h ALA 61 CO -0.00 -0.53 -0.00 1.49 0.00 0.00 0.00 179.25 180.20 1va8 h GLU 62 N -1.00 -0.01 -0.47 0.00 4.81 -1.34 1.01 114.58 117.58 1va8 h GLU 62 Ca -0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1va8 h GLU 62 Cb 0.52 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1va8 h GLU 62 CO 0.08 0.18 -0.28 0.87 -0.73 0.00 0.00 179.01 179.13 1va8 h LYS 63 N -0.19 -0.00 -0.21 1.92 1.79 0.10 0.21 116.57 120.19 1va8 h LYS 63 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1va8 h LYS 63 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1va8 h LYS 63 CO 0.00 -0.00 -0.39 0.66 -1.08 0.00 0.00 179.45 178.64 1va8 h SER 64 N -0.00 0.51 -3.36 0.86 4.64 -1.49 -3.47 113.55 111.24 1va8 h SER 64 Ca 0.08 -0.22 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 1va8 h SER 64 Cb 0.20 -0.14 0.07 0.00 -0.31 0.00 0.00 62.40 62.21 1va8 h SER 64 CO -0.44 0.85 -0.33 0.61 -0.87 0.00 0.00 176.83 176.65 1va8 n GLY 65 N -0.09 0.21 0.00 -0.77 0.00 0.35 -4.93 105.19 99.96 1va8 n GLY 65 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.57 0.79 -4.66 0.99 4.77 -1.11 -4.89 117.00 110.33 1va8 n LEU 66 Ca -0.03 -0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 55.20 1va8 n LEU 66 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1va8 n LEU 66 CO 0.30 0.20 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.54 1va8 s LEU 67 N -3.25 3.81 -0.02 2.23 2.01 -1.26 -4.95 118.68 117.25 1va8 s LEU 67 Ca 0.05 0.11 0.02 0.00 0.01 0.00 0.00 54.13 54.32 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 0.85 0.22 -0.07 -1.00 1.01 0.00 0.00 176.35 177.36 1va8 s HIS 68 N 0.10 0.81 0.10 0.29 3.76 -1.26 -4.86 115.29 114.23 1va8 s HIS 68 Ca 0.05 -0.20 -0.35 0.00 -0.15 0.00 0.00 55.06 54.41 1va8 s HIS 68 Cb -0.12 -0.60 -0.15 0.00 1.11 0.00 0.00 32.58 32.82 1va8 s HIS 68 CO 0.01 -0.10 1.49 0.39 -0.85 0.00 0.00 174.74 175.68 1va8 n GLU 69 N 3.36 1.64 0.00 1.40 1.02 -1.26 -1.15 120.64 125.66 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 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 3.07 0.44 3.72 0.62 0.00 -1.04 -4.81 105.19 107.19 1va8 n GLY 70 Ca 0.18 0.00 -0.42 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 -2.02 7.05 -0.48 1.61 1.01 -0.30 -3.98 116.67 119.56 1va8 s ASP 71 Ca 0.00 2.12 -0.10 0.00 0.71 0.00 0.00 52.55 55.27 1va8 s ASP 71 Cb 0.00 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.46 1va8 s ASP 71 CO 0.00 -0.46 0.37 -0.70 0.21 0.00 0.00 175.17 174.59 1va8 s GLU 72 N 0.67 2.58 -0.02 8.23 2.12 -1.01 -0.45 118.70 130.82 1va8 s GLU 72 Ca 0.58 -1.73 -0.30 0.00 0.36 0.00 0.00 54.97 53.87 1va8 s GLU 72 Cb -0.31 -3.99 -0.03 0.00 0.26 0.00 0.00 34.13 30.06 1va8 s GLU 72 CO 0.31 -1.20 1.08 0.54 -0.54 0.00 0.00 175.26 175.45 1va8 s VAL 73 N 1.41 4.53 -0.05 3.70 0.11 -0.63 -2.20 120.40 127.27 1va8 s VAL 73 Ca 0.05 1.82 0.05 0.00 -2.93 0.00 0.00 61.98 60.97 1va8 s VAL 73 Cb -0.27 -4.17 -0.07 0.00 -1.53 0.00 0.00 36.38 30.35 1va8 s VAL 73 CO 0.00 0.09 0.02 0.18 -3.33 0.00 0.00 175.10 172.06 1va8 n LEU 74 N 4.38 0.00 -3.89 2.54 4.77 0.15 -4.13 117.00 120.82 1va8 n LEU 74 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1va8 n LEU 74 Cb 0.48 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 1va8 n LEU 74 CO 0.53 0.13 -0.35 -0.70 -1.33 0.00 0.00 177.39 175.67 1va8 s GLU 75 N -2.15 0.07 -0.27 3.23 2.12 -1.11 0.20 118.70 120.80 1va8 s GLU 75 Ca -0.03 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 1va8 s GLU 75 Cb 0.02 0.02 0.09 0.00 0.26 0.00 0.00 34.13 34.52 1va8 s GLU 75 CO 0.23 -0.01 0.09 0.42 -0.54 0.00 0.00 175.26 175.44 1va8 s ILE 76 N -0.27 0.56 -0.06 -3.70 1.01 0.46 0.18 121.20 119.37 1va8 s ILE 76 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1va8 s ILE 76 Cb -0.02 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1va8 s ILE 76 CO -0.00 -0.54 0.00 0.59 0.00 0.00 0.00 174.94 174.99 1va8 n ASN 77 N 5.00 -4.42 0.00 3.58 3.02 0.58 -1.86 115.26 121.15 1va8 n ASN 77 Ca -0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1va8 n ASN 77 Cb 0.44 -1.97 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 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 -1.12 1.45 3.70 7.41 0.00 -1.26 -4.89 105.19 110.48 1va8 n GLY 78 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.64 4.51 1.09 -0.61 1.09 -0.78 -4.97 121.20 119.90 1va8 s ILE 79 Ca 0.00 1.80 -0.13 0.00 -1.10 0.00 0.00 60.65 61.23 1va8 s ILE 79 Cb 0.00 -4.16 0.24 0.00 -1.06 0.00 0.00 42.46 37.48 1va8 s ILE 79 CO 0.00 0.08 1.06 -0.70 -0.10 0.00 0.00 174.94 175.28 1va8 s GLU 80 N 1.47 -0.33 0.00 2.79 2.12 -1.26 0.17 118.70 123.67 1va8 s GLU 80 Ca 0.54 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.61 1va8 s GLU 80 Cb -0.23 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1va8 s GLU 80 CO 0.25 -3.30 0.00 -0.89 -0.54 0.00 0.00 175.26 170.78 1va8 n ILE 81 N -4.61 0.00 -1.41 -3.70 5.41 0.55 -4.66 119.36 110.94 1va8 n ILE 81 Ca 0.04 0.00 -0.55 0.00 1.00 0.00 0.00 62.75 63.24 1va8 n ILE 81 Cb 0.55 -0.51 -0.08 0.00 -0.71 0.00 0.00 39.64 38.89 1va8 n ILE 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1va8 n ARG 82 N -2.31 0.00 0.00 0.38 0.63 -1.24 0.24 116.66 114.36 1va8 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1va8 n ARG 82 Cb 0.11 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.78 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 2.97 3.33 3.75 5.14 0.00 0.41 -4.96 105.19 115.83 1va8 n GLY 83 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1va8 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va8 s LYS 84 N -0.68 2.33 0.20 1.61 1.02 0.65 -4.94 119.74 119.93 1va8 s LYS 84 Ca 0.00 1.44 -0.08 0.00 0.02 0.00 0.00 55.97 57.35 1va8 s LYS 84 Cb 0.00 -1.89 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 1va8 s LYS 84 CO 0.00 -1.63 0.50 0.34 -0.92 0.00 0.00 175.35 173.65 1va8 s ASP 85 N -2.64 6.59 0.34 2.83 2.15 -1.26 -4.76 116.67 119.91 1va8 s ASP 85 Ca 0.67 0.83 0.09 0.00 0.43 0.00 0.00 52.55 54.58 1va8 s ASP 85 Cb -0.22 -2.19 0.84 0.00 -0.30 0.00 0.00 42.92 41.05 1va8 s ASP 85 CO 0.47 -0.03 1.79 1.62 -0.17 0.00 0.00 175.17 178.85 1va8 h VAL 86 N 2.04 0.69 -0.21 1.11 3.04 -1.93 0.25 116.25 121.24 1va8 h VAL 86 Ca -0.47 -0.23 -0.06 0.00 -1.01 0.00 0.00 66.70 64.93 1va8 h VAL 86 Cb 1.17 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1va8 h VAL 86 CO 0.70 0.12 -0.11 -1.13 -1.01 0.00 0.00 177.57 176.14 1va8 h ASN 87 N 0.66 0.46 0.25 3.17 -0.73 -1.96 -2.12 115.58 115.31 1va8 h ASN 87 Ca 0.56 -0.41 0.01 0.00 1.87 0.00 0.00 56.30 58.32 1va8 h ASN 87 Cb 1.01 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.44 1va8 h ASN 87 CO -0.33 0.77 -0.34 -0.33 -0.37 0.00 0.00 177.43 176.83 1va8 h GLU 88 N 0.15 -0.63 -0.32 6.67 3.07 -1.04 0.19 114.58 122.67 1va8 h GLU 88 Ca 0.05 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 1va8 h GLU 88 Cb 0.60 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 28.58 1va8 h GLU 88 CO 0.03 -0.42 -0.28 0.28 -1.40 0.00 0.00 179.01 177.22 1va8 h VAL 89 N -0.66 0.31 -0.50 3.13 2.07 -0.73 1.33 116.25 121.21 1va8 h VAL 89 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1va8 h VAL 89 Cb 0.63 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1va8 h VAL 89 CO -0.12 0.00 0.05 -0.26 0.02 0.00 0.00 177.57 177.26 1va8 h PHE 90 N -0.25 0.06 -0.49 1.57 0.04 -0.95 -0.10 116.94 116.82 1va8 h PHE 90 Ca 0.16 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 1va8 h PHE 90 Cb 0.50 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1va8 h PHE 90 CO -0.46 -0.07 0.08 0.22 -0.60 0.00 0.00 178.31 177.48 1va8 h ASP 91 N 0.17 0.78 0.00 2.17 1.82 0.95 -1.74 116.42 120.57 1va8 h ASP 91 Ca 0.26 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1va8 h ASP 91 Cb 0.37 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1va8 h ASP 91 CO -0.38 0.84 0.00 0.18 -1.61 0.00 0.00 179.24 178.27 1va8 n LEU 92 N -4.42 0.00 -0.28 2.28 4.77 0.44 -1.24 117.00 118.55 1va8 n LEU 92 Ca 0.01 0.94 -0.03 0.00 -0.03 0.00 0.00 56.01 56.90 1va8 n LEU 92 Cb 0.25 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1va8 n LEU 92 CO 0.40 -0.44 0.62 -0.07 -1.33 0.00 0.00 177.39 176.58 1va8 h LEU 93 N 0.00 -1.20 -0.93 2.23 3.38 -1.12 0.13 115.31 117.81 1va8 h LEU 93 Ca 0.00 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1va8 h LEU 93 Cb 0.00 0.63 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 1va8 h LEU 93 CO 0.00 -0.29 -0.53 -0.24 0.09 0.00 0.00 178.44 177.47 1va8 n SER 94 N -5.46 -0.94 -0.35 -0.43 2.88 -0.66 0.19 113.62 108.85 1va8 n SER 94 Ca 0.07 1.65 0.01 0.00 -1.33 0.00 0.00 58.87 59.28 1va8 n SER 94 Cb 0.38 -0.23 0.17 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.04 -4.36 -3.46 3.58 0.59 -3.42 116.42 110.39 1va8 h ASP 95 Ca 0.17 -0.01 -0.49 0.00 0.42 0.00 0.00 57.03 57.13 1va8 h ASP 95 Cb 0.40 -0.24 0.10 0.00 1.72 0.00 0.00 39.33 41.32 1va8 h ASP 95 CO -0.88 0.71 0.36 -0.04 -2.88 0.00 0.00 179.24 176.51 1va8 s MET 96 N -6.02 2.28 0.21 0.28 -1.94 0.50 -5.08 119.30 109.52 1va8 s MET 96 Ca -0.12 0.55 -0.22 0.00 -1.71 0.00 0.00 55.69 54.19 1va8 s MET 96 Cb 0.19 -1.95 0.06 0.00 2.01 0.00 0.00 34.83 35.15 1va8 s MET 96 CO 0.81 -1.46 0.94 -3.38 -0.01 0.00 0.00 175.02 171.91 1va8 s HIS 97 N -3.24 -0.04 0.00 -0.03 -3.43 -1.26 -4.84 115.29 102.46 1va8 s HIS 97 Ca 0.60 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.50 1va8 s HIS 97 Cb -0.13 0.69 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1va8 s HIS 97 CO 0.53 -1.01 0.00 0.41 -2.00 0.00 0.00 174.74 172.68 1va8 n GLY 98 N -0.55 -1.94 3.56 -1.38 0.00 0.22 -4.67 105.19 100.42 1va8 n GLY 98 Ca -0.05 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.17 2.61 2.01 -1.25 -1.28 115.64 120.79 1va8 s THR 99 Ca 0.00 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 1va8 s THR 99 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1va8 s THR 99 CO 0.00 -0.52 0.13 -0.76 -0.69 0.00 0.00 174.62 172.78 1va8 s LEU 100 N 10.07 4.23 -0.59 4.42 1.02 -0.06 -4.86 118.68 132.91 1va8 s LEU 100 Ca 0.80 0.31 -0.20 0.00 0.02 0.00 0.00 54.13 55.06 1va8 s LEU 100 Cb -0.16 -2.07 0.09 0.00 0.02 0.00 0.00 46.19 44.08 1va8 s LEU 100 CO 0.24 0.27 0.75 -0.89 0.02 0.00 0.00 176.35 176.74 1va8 s THR 101 N -0.20 4.72 -0.17 5.49 2.01 -1.26 -1.40 115.64 124.83 1va8 s THR 101 Ca 0.10 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.09 1va8 s THR 101 Cb -0.11 -4.50 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 1va8 s THR 101 CO 0.01 -1.15 0.81 -0.36 -0.69 0.00 0.00 174.62 173.24 1va8 s PHE 102 N 2.98 3.42 -0.60 4.92 0.40 0.15 0.21 117.98 129.47 1va8 s PHE 102 Ca 0.14 1.23 -0.07 0.00 -0.60 0.00 0.00 56.93 57.63 1va8 s PHE 102 Cb -0.22 -2.99 0.16 0.00 0.51 0.00 0.00 43.02 40.48 1va8 s PHE 102 CO 0.08 -0.22 0.46 0.08 0.70 0.00 0.00 175.22 176.32 1va8 s VAL 103 N 2.07 4.25 0.10 -0.44 1.01 0.48 -0.29 120.40 127.59 1va8 s VAL 103 Ca 0.37 -2.39 0.04 0.00 0.00 0.00 0.00 61.98 60.00 1va8 s VAL 103 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1va8 s VAL 103 CO 0.12 -0.86 -0.10 -1.48 0.00 0.00 0.00 175.10 172.78 1va8 s LEU 104 N 0.56 2.43 -0.21 3.92 0.05 -0.91 0.32 118.68 124.84 1va8 s LEU 104 Ca 0.13 -0.86 -0.08 0.00 0.05 0.00 0.00 54.13 53.37 1va8 s LEU 104 Cb -0.20 -0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 43.60 1va8 s LEU 104 CO -0.04 -0.29 0.08 -0.63 -0.55 0.00 0.00 176.35 174.92 1va8 s ILE 105 N -2.66 4.71 -0.38 1.48 1.01 -0.93 -1.03 121.20 123.40 1va8 s ILE 105 Ca 0.08 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1va8 s ILE 105 Cb -0.01 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1va8 s ILE 105 CO -0.00 0.41 1.39 -2.16 0.00 0.00 0.00 174.94 174.58 1va8 s PRO 106 N 0.82 3.67 -1.20 2.79 0.04 -1.26 -2.40 135.00 137.46 1va8 s PRO 106 Ca 0.04 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.91 1va8 s PRO 106 Cb -0.13 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.40 1va8 s PRO 106 CO 0.02 -1.44 1.84 0.45 0.04 0.00 0.00 177.00 177.91 1va8 s SER 107 N 3.65 5.76 -0.58 6.66 0.15 -1.26 -4.81 113.70 123.29 1va8 s SER 107 Ca 0.60 -1.86 -0.06 0.00 0.70 0.00 0.00 55.95 55.33 1va8 s SER 107 Cb -0.15 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.44 1va8 s SER 107 CO 0.30 -2.29 2.67 -1.20 1.20 0.00 0.00 173.24 173.92 1va8 n SER 108 N 11.92 5.17 -4.20 5.45 7.64 -1.26 -4.78 113.62 133.56 1va8 n SER 108 Ca 0.45 -2.32 -0.39 0.00 1.01 0.00 0.00 58.87 57.61 1va8 n SER 108 Cb 0.47 -1.17 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 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 2.55 2.00 0.13 0.23 0.00 -1.26 -4.91 107.32 106.06 1va8 s GLY 109 Ca 0.51 -2.43 0.23 0.00 0.00 0.00 0.00 44.72 43.04 1va8 s GLY 109 CO -0.02 1.05 1.72 -1.55 0.00 0.00 0.00 173.10 174.30 1va8 n PRO 110 N 4.83 0.13 -1.63 2.90 -0.04 -1.26 -4.81 135.00 135.12 1va8 n PRO 110 Ca -0.07 0.23 -0.52 0.00 -0.04 0.00 0.00 63.50 63.10 1va8 n PRO 110 Cb 0.41 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 1va8 n PRO 110 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1va8 n SER 111 N -1.91 2.75 -4.52 3.54 3.41 -1.26 -4.75 113.62 110.88 1va8 n SER 111 Ca 0.04 0.85 -0.40 0.00 -0.26 0.00 0.00 58.87 59.11 1va8 n SER 111 Cb 0.30 -1.27 -0.07 0.00 -0.26 0.00 0.00 64.21 62.91 1va8 n SER 111 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1va8 n SER 112 N 7.13 1.77 0.00 4.04 2.88 -1.26 -5.23 113.62 122.95 1va8 n SER 112 Ca 0.29 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1va8 n SER 112 Cb 0.22 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 1va8 n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42