#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 2.50 0.40 1.61 0.15 -1.26 -5.06 113.70 112.04 1va8 s SER 2 Ca 0.00 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1va8 s SER 2 Cb 0.00 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1va8 s SER 2 CO 0.00 -0.01 0.00 -0.24 1.20 0.00 0.00 173.24 174.19 1va8 n SER 3 N 4.38 -5.56 0.00 5.45 2.88 -1.26 -5.06 113.62 114.45 1va8 n SER 3 Ca -0.18 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1va8 n SER 3 Cb 0.51 -3.34 0.00 0.00 -0.75 0.00 0.00 64.21 60.63 1va8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1va8 n GLY 4 N -3.65 6.33 3.63 0.46 0.00 -1.26 -5.18 105.19 105.52 1va8 n GLY 4 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.08 -0.29 1.61 0.01 -1.26 -5.13 113.70 109.56 1va8 s SER 5 Ca 0.00 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.33 1va8 s SER 5 Cb 0.00 0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.36 1va8 s SER 5 CO 0.00 -0.09 -0.05 -0.55 0.41 0.00 0.00 173.24 172.96 1va8 s SER 6 N -1.37 4.65 -0.01 2.44 0.15 -1.26 -5.08 113.70 113.21 1va8 s SER 6 Ca 0.09 -1.45 -0.30 0.00 0.70 0.00 0.00 55.95 54.99 1va8 s SER 6 Cb -0.01 -1.62 -0.07 0.00 -1.71 0.00 0.00 66.02 62.61 1va8 s SER 6 CO -0.06 -0.24 1.77 -0.83 1.20 0.00 0.00 173.24 175.08 1va8 s GLY 7 N 1.16 1.51 -0.74 9.45 0.00 -1.26 -4.91 107.32 112.53 1va8 s GLY 7 Ca -0.05 1.09 -0.26 0.00 0.00 0.00 0.00 44.72 45.50 1va8 s GLY 7 CO -0.04 3.19 1.59 2.56 0.00 0.00 0.00 173.10 180.40 1va8 s PRO 8 N 4.11 2.95 0.42 2.90 0.04 -1.26 -4.98 135.00 139.18 1va8 s PRO 8 Ca 0.79 -0.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.59 1va8 s PRO 8 Cb -0.37 -4.48 -0.10 0.00 0.04 0.00 0.00 34.50 29.59 1va8 s PRO 8 CO 0.34 -2.51 1.00 0.42 0.04 0.00 0.00 177.00 176.28 1va8 s ILE 9 N 7.40 4.05 0.26 0.56 1.01 -1.26 -5.06 121.20 128.16 1va8 s ILE 9 Ca 0.52 1.40 0.11 0.00 0.00 0.00 0.00 60.65 62.68 1va8 s ILE 9 Cb -0.09 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1va8 s ILE 9 CO 0.13 -0.15 -0.14 -0.89 0.00 0.00 0.00 174.94 173.89 1va8 s THR 10 N -1.92 2.79 -0.33 2.92 2.01 -1.26 -5.11 115.64 114.74 1va8 s THR 10 Ca 0.61 -2.19 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 1va8 s THR 10 Cb -0.15 -2.46 0.13 0.00 0.01 0.00 0.00 72.50 70.03 1va8 s THR 10 CO 0.20 -0.35 0.22 1.51 -0.69 0.00 0.00 174.62 175.50 1va8 s ASP 11 N -3.45 2.73 -0.79 3.53 1.47 -1.26 -5.01 116.67 113.88 1va8 s ASP 11 Ca 0.29 -1.64 -0.03 0.00 1.18 0.00 0.00 52.55 52.36 1va8 s ASP 11 Cb -0.06 -0.13 0.23 0.00 -0.34 0.00 0.00 42.92 42.62 1va8 s ASP 11 CO 0.16 -0.35 2.28 -1.84 0.68 0.00 0.00 175.17 176.10 1va8 n GLU 12 N 4.61 3.18 -3.16 2.11 0.28 -1.26 -4.66 120.64 121.74 1va8 n GLU 12 Ca 0.04 -3.29 -0.19 0.00 -0.16 0.00 0.00 57.16 53.57 1va8 n GLU 12 Cb 0.41 -2.29 -0.06 0.00 1.43 0.00 0.00 31.44 30.93 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 0.20 0.32 -0.71 3.44 1.74 -1.26 -4.89 116.66 115.50 1va8 n ARG 13 Ca 0.52 -2.76 -0.02 0.00 -0.77 0.00 0.00 57.85 54.82 1va8 n ARG 13 Cb 0.34 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 2.83 0.00 -4.44 1.55 0.31 -1.26 -5.13 118.33 112.19 1va8 n VAL 14 Ca 0.25 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 64.33 1va8 n VAL 14 Cb 0.51 0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 33.57 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 2.03 0.00 3.52 1.51 -1.26 -5.16 117.35 117.99 1va8 s TYR 15 Ca 0.01 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1va8 s TYR 15 Cb 0.01 -1.07 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1va8 s TYR 15 CO -0.01 0.42 0.00 0.39 -1.11 0.00 0.00 175.55 175.25 1va8 n GLU 16 N -0.58 3.57 -1.67 -0.62 1.02 -1.26 -4.96 120.64 116.13 1va8 n GLU 16 Ca -0.06 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.63 1va8 n GLU 16 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.00 1va8 n GLU 16 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1va8 n SER 17 N 0.00 3.74 -4.70 1.62 3.41 -1.26 -4.96 113.62 111.46 1va8 n SER 17 Ca 0.00 0.96 -0.31 0.00 -0.26 0.00 0.00 58.87 59.25 1va8 n SER 17 Cb 0.00 -1.45 -0.08 0.00 -0.26 0.00 0.00 64.21 62.42 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 3.84 4.20 -1.10 -1.33 1.01 -1.26 -5.00 121.20 121.56 1va8 s ILE 18 Ca 0.89 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1va8 s ILE 18 Cb -0.58 -2.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 1va8 s ILE 18 CO 0.46 0.24 2.40 0.61 0.00 0.00 0.00 174.94 178.65 1va8 n GLY 19 N 0.94 3.44 2.67 6.18 0.00 -1.26 -3.73 105.19 113.43 1va8 n GLY 19 Ca -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 1va8 n GLY 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1va8 n HIS 20 N 3.95 -0.76 -1.98 1.61 -0.00 -1.26 -4.51 115.22 112.27 1va8 n HIS 20 Ca 0.55 -0.93 -0.25 0.00 -0.00 0.00 0.00 57.72 57.08 1va8 n HIS 20 Cb 0.18 1.25 -0.07 0.00 -0.00 0.00 0.00 29.99 31.35 1va8 n HIS 20 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1va8 s TYR 21 N 0.07 1.79 0.00 1.57 1.51 -1.24 -4.63 117.35 116.41 1va8 s TYR 21 Ca 0.17 0.82 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1va8 s TYR 21 Cb 0.25 -3.90 0.00 0.00 -0.11 0.00 0.00 41.96 38.20 1va8 s TYR 21 CO -0.14 -1.28 0.00 0.41 -1.11 0.00 0.00 175.55 173.43 1va8 n GLY 22 N 6.15 1.35 0.06 0.71 0.00 -1.26 -3.78 105.19 108.42 1va8 n GLY 22 Ca 0.43 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.49 0.00 -0.02 0.00 -1.26 -5.02 105.19 98.40 1va8 n GLY 23 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.47 -0.77 -3.83 1.61 4.07 -1.25 -5.07 120.64 112.94 1va8 n GLU 24 Ca -0.19 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.69 1va8 n GLU 24 Cb 0.84 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 32.05 1va8 n GLU 24 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1va8 s THR 25 N -0.97 0.39 -0.10 6.31 -4.23 -1.26 -3.98 115.64 111.79 1va8 s THR 25 Ca 0.00 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1va8 s THR 25 Cb 0.00 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1va8 s THR 25 CO 0.00 0.25 0.04 0.68 -0.54 0.00 0.00 174.62 175.04 1va8 s VAL 26 N 1.78 4.60 -0.30 2.29 -7.23 -1.26 -4.83 120.40 115.45 1va8 s VAL 26 Ca 0.02 -0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 59.98 1va8 s VAL 26 Cb -0.13 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1va8 s VAL 26 CO -0.04 0.60 0.10 -0.75 -0.31 0.00 0.00 175.10 174.70 1va8 s LYS 27 N -0.85 3.14 0.43 4.82 2.20 -0.16 -4.54 119.74 124.78 1va8 s LYS 27 Ca 0.13 -0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 54.77 1va8 s LYS 27 Cb -0.12 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.70 1va8 s LYS 27 CO 0.03 -0.44 0.85 0.42 -0.36 0.00 0.00 175.35 175.85 1va8 s ILE 28 N 1.53 4.65 -0.23 5.43 1.09 -1.26 -2.99 121.20 129.42 1va8 s ILE 28 Ca 0.03 0.95 -0.06 0.00 -1.10 0.00 0.00 60.65 60.47 1va8 s ILE 28 Cb -0.17 -3.70 0.11 0.00 -1.06 0.00 0.00 42.46 37.64 1va8 s ILE 28 CO 0.03 -0.51 0.46 0.68 -0.10 0.00 0.00 174.94 175.50 1va8 s VAL 29 N -2.38 -0.71 -0.18 2.92 -7.23 -0.45 -4.97 120.40 107.39 1va8 s VAL 29 Ca 0.55 0.10 -0.18 0.00 -1.81 0.00 0.00 61.98 60.64 1va8 s VAL 29 Cb -0.10 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1va8 s VAL 29 CO 0.28 0.02 0.49 -0.13 -0.31 0.00 0.00 175.10 175.45 1va8 s ARG 30 N 2.66 4.22 -0.06 4.82 0.52 -1.26 -0.46 118.95 129.39 1va8 s ARG 30 Ca 0.01 0.38 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1va8 s ARG 30 Cb -0.13 -3.53 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1va8 s ARG 30 CO -0.15 -0.07 -0.24 0.42 0.02 0.00 0.00 175.30 175.29 1va8 s ILE 31 N 1.37 1.94 -0.37 1.52 1.01 -0.29 -4.91 121.20 121.49 1va8 s ILE 31 Ca 0.23 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 1va8 s ILE 31 Cb -0.15 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1va8 s ILE 31 CO 0.09 0.54 0.64 -1.61 0.00 0.00 0.00 174.94 174.61 1va8 s GLU 32 N -0.09 3.62 -0.09 2.79 2.02 -1.26 -0.57 118.70 125.13 1va8 s GLU 32 Ca -0.05 0.00 0.04 0.00 0.02 0.00 0.00 54.97 54.99 1va8 s GLU 32 Cb -0.14 -3.83 -0.00 0.00 0.10 0.00 0.00 34.13 30.26 1va8 s GLU 32 CO 0.04 -0.78 -0.23 0.15 0.02 0.00 0.00 175.26 174.45 1va8 s LYS 33 N 2.75 2.84 0.95 1.61 1.02 -0.95 -4.93 119.74 123.03 1va8 s LYS 33 Ca 0.24 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 1va8 s LYS 33 Cb -0.14 -2.20 0.16 0.00 -0.52 0.00 0.00 37.83 35.12 1va8 s LYS 33 CO 0.16 0.21 1.15 0.00 -0.92 0.00 0.00 175.35 175.95 1va8 s ALA 34 N 0.25 1.67 -2.00 5.17 0.00 -1.26 0.23 121.76 125.83 1va8 s ALA 34 Ca -0.15 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1va8 s ALA 34 Cb -0.17 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1va8 s ALA 34 CO 0.07 -2.45 1.02 0.54 0.00 0.00 0.00 175.76 174.94 1va8 n ARG 35 N -3.88 1.05 -1.12 0.00 1.74 -1.26 -3.04 116.66 110.15 1va8 n ARG 35 Ca 0.08 -0.08 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1va8 n ARG 35 Cb 0.59 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.44 -0.35 -4.28 0.55 -0.08 -1.26 -5.10 116.55 105.59 1va8 n ASP 36 Ca 0.01 -1.97 -0.33 0.00 -1.51 0.00 0.00 54.79 51.00 1va8 n ASP 36 Cb 0.02 0.10 -0.16 0.00 2.34 0.00 0.00 41.12 43.42 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 2.49 0.83 5.18 -1.09 -1.17 -5.12 121.20 122.32 1va8 s ILE 37 Ca 0.10 -0.86 -0.12 0.00 -2.23 0.00 0.00 60.65 57.55 1va8 s ILE 37 Cb 0.12 -2.01 0.09 0.00 -1.58 0.00 0.00 42.46 39.08 1va8 s ILE 37 CO -0.05 0.54 1.11 -2.16 -1.23 0.00 0.00 174.94 173.15 1va8 s PRO 38 N 0.44 1.77 -0.10 2.79 0.04 -1.26 -4.61 135.00 134.07 1va8 s PRO 38 Ca -0.14 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.20 1va8 s PRO 38 Cb -0.17 -1.89 -0.28 0.00 0.04 0.00 0.00 34.50 32.20 1va8 s PRO 38 CO 0.06 -1.81 0.73 1.25 0.04 0.00 0.00 177.00 177.27 1va8 h LEU 39 N -1.22 0.27 -0.88 -3.56 5.85 -1.95 -3.13 115.31 110.69 1va8 h LEU 39 Ca -0.48 -0.91 -0.32 0.00 0.84 0.00 0.00 57.88 57.01 1va8 h LEU 39 Cb 1.29 -0.09 0.11 0.00 0.37 0.00 0.00 40.66 42.34 1va8 h LEU 39 CO 0.60 1.33 -0.54 0.61 -0.34 0.00 0.00 178.44 180.09 1va8 n GLY 40 N 1.64 -0.25 2.93 3.75 0.00 -1.26 -1.37 105.19 110.63 1va8 n GLY 40 Ca -0.16 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.26 -0.37 0.27 4.61 0.00 -1.26 0.19 121.76 121.94 1va8 s ALA 41 Ca 0.47 0.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 1va8 s ALA 41 Cb -0.21 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 1va8 s ALA 41 CO 0.58 -0.59 0.72 0.99 0.00 0.00 0.00 175.76 177.46 1va8 s THR 42 N 2.33 4.64 0.06 0.00 2.01 0.44 -4.91 115.64 120.21 1va8 s THR 42 Ca 0.02 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.13 1va8 s THR 42 Cb -0.12 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1va8 s THR 42 CO -0.07 0.02 -0.07 0.68 -0.69 0.00 0.00 174.62 174.49 1va8 s VAL 43 N -1.74 0.52 0.48 3.82 -7.23 -1.26 -0.33 120.40 114.65 1va8 s VAL 43 Ca 0.48 -1.35 0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1va8 s VAL 43 Cb -0.13 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 35.91 1va8 s VAL 43 CO 0.19 -0.57 0.60 -0.13 -0.31 0.00 0.00 175.10 174.89 1va8 s ARG 44 N -2.34 2.58 -0.39 4.82 0.52 0.58 -4.63 118.95 120.09 1va8 s ARG 44 Ca -0.03 -1.47 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 1va8 s ARG 44 Cb -0.05 -2.62 0.11 0.00 0.52 0.00 0.00 34.95 32.91 1va8 s ARG 44 CO -0.02 -0.47 0.13 -0.80 0.02 0.00 0.00 175.30 174.16 1va8 s ASN 45 N -4.42 4.93 0.62 0.23 0.02 -1.26 -3.24 114.94 111.82 1va8 s ASN 45 Ca 0.55 -2.20 -0.07 0.00 -1.02 0.00 0.00 52.86 50.11 1va8 s ASN 45 Cb -0.07 -1.71 0.01 0.00 0.02 0.00 0.00 41.25 39.50 1va8 s ASN 45 CO 0.33 -0.43 0.95 -1.61 0.02 0.00 0.00 177.10 176.37 1va8 s GLU 46 N 0.86 2.86 0.01 -0.60 0.41 0.92 -4.91 118.70 118.25 1va8 s GLU 46 Ca 0.11 0.07 -0.01 0.00 -0.41 0.00 0.00 54.97 54.73 1va8 s GLU 46 Cb -0.21 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1va8 s GLU 46 CO -0.06 -0.80 0.05 -1.33 -0.49 0.00 0.00 175.26 172.63 1va8 n MET 47 N -2.69 -0.01 -0.76 1.61 2.81 -1.26 -2.43 117.12 114.39 1va8 n MET 47 Ca 0.05 0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1va8 n MET 47 Cb 0.58 -0.07 -0.02 0.00 -0.71 0.00 0.00 33.22 32.99 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 -4.04 -0.15 -4.22 7.83 8.00 -1.26 -5.00 116.55 117.70 1va8 n ASP 48 Ca 0.00 -1.58 -0.17 0.00 0.71 0.00 0.00 54.79 53.75 1va8 n ASP 48 Cb 0.01 0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.70 1.82 -0.32 -2.24 0.01 -1.02 -2.38 113.70 108.86 1va8 s SER 49 Ca 0.04 -0.79 -0.09 0.00 1.31 0.00 0.00 55.95 56.43 1va8 s SER 49 Cb 0.05 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1va8 s SER 49 CO -0.02 -0.17 0.13 -0.69 0.41 0.00 0.00 173.24 172.90 1va8 s VAL 50 N -2.13 4.26 0.05 3.43 1.01 -1.23 -0.05 120.40 125.73 1va8 s VAL 50 Ca 0.07 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1va8 s VAL 50 Cb -0.05 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1va8 s VAL 50 CO 0.02 -0.04 -0.19 -0.63 0.00 0.00 0.00 175.10 174.27 1va8 s ILE 51 N 1.53 2.75 0.43 2.22 1.09 -1.20 0.91 121.20 128.94 1va8 s ILE 51 Ca 0.02 -1.24 -0.25 0.00 -1.10 0.00 0.00 60.65 58.08 1va8 s ILE 51 Cb -0.18 -2.17 -0.08 0.00 -1.06 0.00 0.00 42.46 38.97 1va8 s ILE 51 CO 0.05 0.31 1.33 -0.63 -0.10 0.00 0.00 174.94 175.90 1va8 s ILE 52 N -0.95 2.46 -0.10 2.92 -1.09 -0.42 0.22 121.20 124.25 1va8 s ILE 52 Ca 0.15 0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.93 1va8 s ILE 52 Cb -0.10 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1va8 s ILE 52 CO 0.06 0.05 -0.13 -1.54 -1.23 0.00 0.00 174.94 172.15 1va8 n SER 53 N -0.06 1.10 -3.80 3.58 3.41 0.55 -2.78 113.62 115.63 1va8 n SER 53 Ca 0.05 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 1va8 n SER 53 Cb 0.43 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.17 -0.18 4.33 3.52 -0.77 -4.89 118.95 119.94 1va8 s ARG 54 Ca -0.14 -0.94 0.01 0.00 -0.13 0.00 0.00 55.73 54.53 1va8 s ARG 54 Cb 0.05 0.44 0.03 0.00 -1.56 0.00 0.00 34.95 33.91 1va8 s ARG 54 CO 0.19 -0.45 -0.16 0.42 -0.81 0.00 0.00 175.30 174.48 1va8 s ILE 55 N -3.89 1.88 0.20 4.11 -1.09 -1.26 0.17 121.20 121.32 1va8 s ILE 55 Ca 0.10 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.34 1va8 s ILE 55 Cb 0.02 -1.77 -0.08 0.00 -1.58 0.00 0.00 42.46 39.05 1va8 s ILE 55 CO -0.05 0.43 0.82 -0.69 -1.23 0.00 0.00 174.94 174.22 1va8 s VAL 56 N 1.34 4.30 -0.02 2.92 1.01 0.50 -4.93 120.40 125.52 1va8 s VAL 56 Ca 0.03 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 1va8 s VAL 56 Cb -0.14 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1va8 s VAL 56 CO -0.11 0.46 1.04 -0.75 0.00 0.00 0.00 175.10 175.74 1va8 s LYS 57 N -1.30 4.49 0.00 2.72 2.36 -1.26 -3.03 119.74 123.72 1va8 s LYS 57 Ca 0.39 1.49 0.00 0.00 -2.55 0.00 0.00 55.97 55.30 1va8 s LYS 57 Cb -0.23 -3.47 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 1va8 s LYS 57 CO 0.27 -0.17 0.00 0.41 1.55 0.00 0.00 175.35 177.41 1va8 n GLY 58 N 3.03 1.73 3.74 5.54 0.00 -1.26 -5.05 105.19 112.91 1va8 n GLY 58 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.28 1.62 0.30 -0.02 0.00 -1.17 -4.91 107.32 100.86 1va8 s GLY 59 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 44.72 44.73 1va8 s GLY 59 CO 0.00 0.35 1.62 0.00 0.00 0.00 0.00 173.10 175.07 1va8 h ALA 60 N -1.44 0.91 -0.20 3.20 0.00 -1.16 -2.76 119.26 117.81 1va8 h ALA 60 Ca -0.49 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 53.87 1va8 h ALA 60 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1va8 h ALA 60 CO 0.56 0.69 -0.03 0.00 0.00 0.00 0.00 179.25 180.47 1va8 h ALA 61 N 1.45 0.28 0.15 0.00 0.00 -1.82 -1.92 119.26 117.39 1va8 h ALA 61 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1va8 h ALA 61 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1va8 h ALA 61 CO 0.07 0.03 -0.08 1.49 0.00 0.00 0.00 179.25 180.76 1va8 h GLU 62 N 0.11 -0.21 -0.99 0.00 4.81 -1.77 1.40 114.58 117.93 1va8 h GLU 62 Ca 0.05 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1va8 h GLU 62 Cb 0.46 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.75 1va8 h GLU 62 CO 0.02 -0.14 -0.46 1.63 -0.73 0.00 0.00 179.01 179.32 1va8 n LYS 63 N -2.68 -0.31 -0.30 1.92 5.02 -1.05 0.18 118.16 120.94 1va8 n LYS 63 Ca -0.03 1.51 -0.01 0.00 -2.02 0.00 0.00 58.31 57.76 1va8 n LYS 63 Cb 0.09 -2.24 0.16 0.00 -0.02 0.00 0.00 35.03 33.02 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 1.03 -4.81 4.39 4.64 -1.27 -3.46 113.55 114.07 1va8 h SER 64 Ca 0.27 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.22 1va8 h SER 64 Cb 0.52 -0.26 0.11 0.00 -0.31 0.00 0.00 62.40 62.46 1va8 h SER 64 CO -0.96 0.77 -0.55 0.61 -0.87 0.00 0.00 176.83 175.82 1va8 n GLY 65 N -1.34 -0.29 0.01 -0.77 0.00 0.48 -4.89 105.19 98.38 1va8 n GLY 65 Ca 0.10 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.09 0.32 -4.62 0.99 4.77 -1.16 -4.90 117.00 108.30 1va8 n LEU 66 Ca -0.01 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.45 1va8 n LEU 66 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1va8 n LEU 66 CO 0.51 0.08 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.63 1va8 s LEU 67 N -3.84 3.74 -0.03 2.23 2.01 -1.26 -5.00 118.68 116.53 1va8 s LEU 67 Ca -0.02 0.06 0.02 0.00 0.01 0.00 0.00 54.13 54.20 1va8 s LEU 67 Cb 0.13 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.40 1va8 s LEU 67 CO 0.80 0.18 -0.07 -1.00 1.01 0.00 0.00 176.35 177.28 1va8 s HIS 68 N 0.31 0.81 -0.36 0.29 3.76 -1.26 -4.88 115.29 113.95 1va8 s HIS 68 Ca 0.02 -0.20 -0.40 0.00 -0.15 0.00 0.00 55.06 54.33 1va8 s HIS 68 Cb -0.13 -0.61 -0.15 0.00 1.11 0.00 0.00 32.58 32.80 1va8 s HIS 68 CO 0.01 -0.11 1.95 0.39 -0.85 0.00 0.00 174.74 176.12 1va8 n GLU 69 N 3.48 0.85 0.00 1.40 1.02 -1.26 -0.23 120.64 125.91 1va8 n GLU 69 Ca -0.20 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1va8 n GLU 69 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 5.54 1.13 3.67 0.62 0.00 -1.12 -4.89 105.19 110.14 1va8 n GLY 70 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.41 7.03 -0.19 1.61 1.01 0.68 -4.01 116.67 121.39 1va8 s ASP 71 Ca 0.00 1.64 -0.16 0.00 0.71 0.00 0.00 52.55 54.74 1va8 s ASP 71 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1va8 s ASP 71 CO 0.00 -0.67 0.39 -0.70 0.21 0.00 0.00 175.17 174.40 1va8 s GLU 72 N 3.01 4.20 -0.12 8.23 2.12 -1.12 -1.29 118.70 133.73 1va8 s GLU 72 Ca 0.52 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 56.02 1va8 s GLU 72 Cb -0.21 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1va8 s GLU 72 CO 0.15 0.02 0.08 0.54 -0.54 0.00 0.00 175.26 175.50 1va8 s VAL 73 N 1.13 4.97 0.00 3.70 0.11 0.26 -1.53 120.40 129.03 1va8 s VAL 73 Ca 0.20 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1va8 s VAL 73 Cb -0.15 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1va8 s VAL 73 CO 0.08 0.58 0.00 0.18 -3.33 0.00 0.00 175.10 172.61 1va8 n LEU 74 N 2.34 2.13 -4.01 2.54 4.77 -0.74 -3.55 117.00 120.48 1va8 n LEU 74 Ca -0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.63 1va8 n LEU 74 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1va8 n LEU 74 CO 0.31 0.35 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.69 1va8 s GLU 75 N -1.95 0.55 -0.26 3.23 2.02 -1.21 0.18 118.70 121.26 1va8 s GLU 75 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 1va8 s GLU 75 Cb 0.00 -0.47 0.08 0.00 0.10 0.00 0.00 34.13 33.84 1va8 s GLU 75 CO 0.00 0.12 0.07 0.42 0.02 0.00 0.00 175.26 175.89 1va8 s ILE 76 N -0.55 0.65 0.00 -1.63 1.01 0.13 -0.75 121.20 120.06 1va8 s ILE 76 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1va8 s ILE 76 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1va8 s ILE 76 CO 0.00 -0.50 0.00 0.59 0.00 0.00 0.00 174.94 175.04 1va8 n ASN 77 N 4.97 -3.91 0.00 3.58 3.02 0.01 -1.58 115.26 121.34 1va8 n ASN 77 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1va8 n ASN 77 Cb 0.44 -2.00 0.00 0.00 -0.61 0.00 0.00 39.78 37.61 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 -1.02 1.62 3.71 7.41 0.00 -1.26 -4.97 105.19 110.68 1va8 n GLY 78 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.71 3.55 -0.26 -0.61 1.09 -0.62 -4.95 121.20 117.69 1va8 s ILE 79 Ca 0.00 1.07 -0.29 0.00 -1.10 0.00 0.00 60.65 60.33 1va8 s ILE 79 Cb 0.00 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 1va8 s ILE 79 CO 0.00 0.06 1.21 -0.70 -0.10 0.00 0.00 174.94 175.41 1va8 s GLU 80 N 1.48 4.08 0.05 2.79 2.12 -1.26 0.23 118.70 128.18 1va8 s GLU 80 Ca 0.63 1.34 0.16 0.00 0.36 0.00 0.00 54.97 57.46 1va8 s GLU 80 Cb -0.34 -3.79 -0.15 0.00 0.26 0.00 0.00 34.13 30.11 1va8 s GLU 80 CO 0.29 -0.90 0.80 -0.89 -0.54 0.00 0.00 175.26 174.02 1va8 n ILE 81 N 5.80 1.25 -1.43 -3.70 5.41 0.48 -4.70 119.36 122.46 1va8 n ILE 81 Ca 0.14 -0.71 -0.47 0.00 1.00 0.00 0.00 62.75 62.71 1va8 n ILE 81 Cb 0.46 -0.78 -0.10 0.00 -0.71 0.00 0.00 39.64 38.50 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 -2.91 0.44 0.00 0.38 3.00 -1.00 0.25 116.66 116.83 1va8 n ARG 82 Ca -0.11 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1va8 n ARG 82 Cb 0.87 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 6.67 1.88 3.70 5.14 0.00 -1.00 -5.01 105.19 116.58 1va8 n GLY 83 Ca 0.53 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.05 2.21 -1.83 1.61 5.02 0.69 -4.97 118.16 120.84 1va8 n LYS 84 Ca 0.00 0.78 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1va8 n LYS 84 Cb 0.00 -2.41 0.11 0.00 -0.02 0.00 0.00 35.03 32.70 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 -0.06 4.21 0.11 4.39 2.15 -1.26 -4.82 116.67 121.39 1va8 s ASP 85 Ca 0.59 0.79 -0.21 0.00 0.43 0.00 0.00 52.55 54.15 1va8 s ASP 85 Cb -0.57 -1.26 -0.10 0.00 -0.30 0.00 0.00 42.92 40.68 1va8 s ASP 85 CO 0.58 -2.10 1.76 -0.37 -0.17 0.00 0.00 175.17 174.87 1va8 h VAL 86 N -1.19 1.03 -0.40 1.11 -1.51 -1.92 0.24 116.25 113.61 1va8 h VAL 86 Ca -0.47 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1va8 h VAL 86 Cb 1.32 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1va8 h VAL 86 CO 0.63 0.03 0.18 -1.13 -1.23 0.00 0.00 177.57 176.05 1va8 h ASN 87 N 0.16 0.54 -0.28 4.19 -0.73 -1.97 -0.93 115.58 116.56 1va8 h ASN 87 Ca 0.05 -0.15 0.06 0.00 1.87 0.00 0.00 56.30 58.13 1va8 h ASN 87 Cb -0.02 -0.14 -0.07 0.00 0.27 0.00 0.00 38.32 38.37 1va8 h ASN 87 CO -0.01 0.54 -0.18 -0.33 -0.37 0.00 0.00 177.43 177.08 1va8 h GLU 88 N 0.50 -0.15 0.53 6.67 4.39 -1.82 0.12 114.58 124.83 1va8 h GLU 88 Ca 0.14 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1va8 h GLU 88 Cb 0.15 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1va8 h GLU 88 CO -0.01 -0.10 -0.32 0.28 -1.16 0.00 0.00 179.01 177.70 1va8 h VAL 89 N -0.15 0.00 -1.40 3.13 2.07 -0.73 0.17 116.25 119.34 1va8 h VAL 89 Ca 0.15 0.00 0.45 0.00 0.82 0.00 0.00 66.70 68.12 1va8 h VAL 89 Cb 0.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.03 1va8 h VAL 89 CO -0.37 0.00 0.93 -0.26 0.02 0.00 0.00 177.57 177.88 1va8 h PHE 90 N -0.80 0.43 -0.00 1.57 0.04 -0.90 0.84 116.94 118.12 1va8 h PHE 90 Ca -0.07 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1va8 h PHE 90 Cb 0.63 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1va8 h PHE 90 CO -0.01 -0.17 -0.01 0.22 -0.60 0.00 0.00 178.31 177.73 1va8 h ASP 91 N 0.07 0.02 0.00 2.17 3.58 -0.08 -2.60 116.42 119.59 1va8 h ASP 91 Ca 0.82 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1va8 h ASP 91 Cb 2.71 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 43.75 1va8 h ASP 91 CO -0.35 0.66 0.00 0.18 -2.88 0.00 0.00 179.24 176.86 1va8 n LEU 92 N -4.76 0.00 -0.26 2.28 7.99 0.29 -0.73 117.00 121.80 1va8 n LEU 92 Ca -0.09 0.93 0.00 0.00 -0.01 0.00 0.00 56.01 56.84 1va8 n LEU 92 Cb 0.33 -0.43 0.07 0.00 -0.11 0.00 0.00 43.42 43.28 1va8 n LEU 92 CO 0.34 -0.43 0.68 -0.07 -1.51 0.00 0.00 177.39 176.40 1va8 h LEU 93 N 0.00 -0.89 -0.94 2.23 3.38 -1.53 0.69 115.31 118.25 1va8 h LEU 93 Ca 0.00 0.24 0.26 0.00 0.09 0.00 0.00 57.88 58.47 1va8 h LEU 93 Cb 0.00 0.53 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 1va8 h LEU 93 CO 0.00 -0.27 0.09 -1.28 0.09 0.00 0.00 178.44 177.07 1va8 h SER 94 N -0.04 -0.34 0.07 -0.43 0.87 -0.63 1.27 113.55 114.33 1va8 h SER 94 Ca 0.34 0.25 -0.20 0.00 -1.23 0.00 0.00 61.79 60.95 1va8 h SER 94 Cb 0.57 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1va8 h SER 94 CO -0.79 -0.30 -0.77 -0.78 -0.53 0.00 0.00 176.83 173.66 1va8 h ASP 95 N 0.06 0.70 -4.51 6.23 3.58 0.24 -3.45 116.42 119.27 1va8 h ASP 95 Ca 0.58 -0.46 -0.47 0.00 0.42 0.00 0.00 57.03 57.10 1va8 h ASP 95 Cb 1.19 -0.21 0.11 0.00 1.72 0.00 0.00 39.33 42.15 1va8 h ASP 95 CO -0.83 1.23 0.39 -0.04 -2.88 0.00 0.00 179.24 177.12 1va8 s MET 96 N -3.66 1.71 -0.21 0.28 -1.94 0.44 -5.09 119.30 110.82 1va8 s MET 96 Ca -0.08 0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.69 1va8 s MET 96 Cb 0.09 -1.92 0.16 0.00 2.01 0.00 0.00 34.83 35.17 1va8 s MET 96 CO 0.87 -1.77 1.17 -3.38 -0.01 0.00 0.00 175.02 171.90 1va8 s HIS 97 N -3.56 -0.20 0.00 -0.03 -3.43 -1.26 -4.83 115.29 101.98 1va8 s HIS 97 Ca 0.63 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 1va8 s HIS 97 Cb -0.11 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1va8 s HIS 97 CO 0.50 -0.20 0.00 0.41 -2.00 0.00 0.00 174.74 173.45 1va8 n GLY 98 N 0.53 -1.64 3.55 -1.38 0.00 0.64 -4.84 105.19 102.05 1va8 n GLY 98 Ca -0.05 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 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 3.24 -0.08 2.61 2.01 -1.25 -2.23 115.64 119.94 1va8 s THR 99 Ca 0.00 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 1va8 s THR 99 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1va8 s THR 99 CO 0.00 -0.59 0.30 -0.76 -0.69 0.00 0.00 174.62 172.88 1va8 s LEU 100 N 10.58 4.38 -0.54 4.42 1.02 0.26 -4.83 118.68 133.97 1va8 s LEU 100 Ca 0.78 0.68 -0.19 0.00 0.02 0.00 0.00 54.13 55.42 1va8 s LEU 100 Cb -0.13 -2.37 0.08 0.00 0.02 0.00 0.00 46.19 43.78 1va8 s LEU 100 CO 0.18 0.28 0.67 -0.89 0.02 0.00 0.00 176.35 176.61 1va8 s THR 101 N -0.59 4.84 -0.32 5.49 2.01 -1.26 -1.13 115.64 124.67 1va8 s THR 101 Ca 0.19 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 1va8 s THR 101 Cb -0.14 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1va8 s THR 101 CO 0.08 -0.95 0.85 -0.36 -0.69 0.00 0.00 174.62 173.55 1va8 s PHE 102 N 2.69 3.17 -0.73 4.92 0.40 0.40 -0.81 117.98 128.02 1va8 s PHE 102 Ca 0.14 0.84 -0.14 0.00 -0.60 0.00 0.00 56.93 57.17 1va8 s PHE 102 Cb -0.21 -3.37 0.19 0.00 0.51 0.00 0.00 43.02 40.14 1va8 s PHE 102 CO 0.10 -0.65 0.67 0.08 0.70 0.00 0.00 175.22 176.12 1va8 s VAL 103 N 3.15 5.42 0.21 -0.44 1.01 0.07 -1.34 120.40 128.48 1va8 s VAL 103 Ca 0.35 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1va8 s VAL 103 Cb -0.13 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1va8 s VAL 103 CO 0.14 -0.97 0.09 -1.48 0.00 0.00 0.00 175.10 172.88 1va8 s LEU 104 N 0.61 1.57 -0.11 3.92 0.05 -1.16 -1.80 118.68 121.77 1va8 s LEU 104 Ca 0.13 -1.33 0.02 0.00 0.05 0.00 0.00 54.13 53.00 1va8 s LEU 104 Cb -0.17 0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 44.12 1va8 s LEU 104 CO -0.05 -0.74 -0.18 -0.63 -0.55 0.00 0.00 176.35 174.20 1va8 s ILE 105 N -3.90 2.63 -0.24 1.48 1.01 -0.58 -0.98 121.20 120.61 1va8 s ILE 105 Ca 0.35 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1va8 s ILE 105 Cb 0.07 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1va8 s ILE 105 CO 0.10 0.55 1.32 -2.16 0.00 0.00 0.00 174.94 174.75 1va8 s PRO 106 N 0.21 4.03 -1.41 2.79 0.04 -1.26 -2.77 135.00 136.62 1va8 s PRO 106 Ca -0.11 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1va8 s PRO 106 Cb -0.16 -3.85 0.07 0.00 0.04 0.00 0.00 34.50 30.60 1va8 s PRO 106 CO 0.06 -0.97 2.17 0.45 0.04 0.00 0.00 177.00 178.75 1va8 n SER 107 N 7.30 4.55 0.00 6.66 2.88 -1.26 -4.19 113.62 129.57 1va8 n SER 107 Ca 0.15 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.78 1va8 n SER 107 Cb 0.46 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 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 5.23 0.00 0.00 -3.46 2.88 -1.26 -4.71 113.62 112.31 1va8 n SER 108 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1va8 n SER 108 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.97 0.17 0.46 0.00 -1.26 -4.23 105.19 99.30 1va8 n GLY 109 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1va8 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1va8 h PRO 110 N 0.00 0.46 -1.57 1.61 0.13 -1.90 -3.43 132.00 127.30 1va8 h PRO 110 Ca 0.00 -0.45 0.30 0.00 -0.87 0.00 0.00 66.00 64.98 1va8 h PRO 110 Cb 0.00 0.12 -0.13 0.00 0.13 0.00 0.00 31.00 31.12 1va8 h PRO 110 CO 0.00 1.10 0.78 -1.54 -0.23 0.00 0.00 178.00 178.10 1va8 s SER 111 N -7.07 -0.09 -0.08 1.44 1.04 -1.26 -4.91 113.70 102.77 1va8 s SER 111 Ca -0.06 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 55.92 1va8 s SER 111 Cb 0.09 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1va8 s SER 111 CO 0.87 -0.37 1.27 -0.44 0.98 0.00 0.00 173.24 175.55 1va8 s SER 112 N -2.86 6.97 0.00 7.02 0.01 -1.26 -4.84 113.70 118.73 1va8 s SER 112 Ca 0.13 1.84 0.31 0.00 1.31 0.00 0.00 55.95 59.55 1va8 s SER 112 Cb 0.03 -2.55 1.88 0.00 0.21 0.00 0.00 66.02 65.59 1va8 s SER 112 CO -0.03 -0.68 2.20 0.61 0.41 0.00 0.00 173.24 175.75