#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 5.66 -0.00 1.61 1.04 -1.26 -5.05 113.70 115.70 1va8 s SER 2 Ca 0.00 -1.22 -0.17 0.00 0.48 0.00 0.00 55.95 55.04 1va8 s SER 2 Cb 0.00 -2.00 0.03 0.00 0.10 0.00 0.00 66.02 64.15 1va8 s SER 2 CO 0.00 -0.44 0.36 -0.44 0.98 0.00 0.00 173.24 173.70 1va8 s SER 3 N 1.78 -0.24 -0.30 7.02 0.01 -1.26 -5.14 113.70 115.57 1va8 s SER 3 Ca 0.02 0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 1va8 s SER 3 Cb -0.21 0.36 0.19 0.00 0.21 0.00 0.00 66.02 66.57 1va8 s SER 3 CO 0.04 -0.51 0.91 -0.83 0.41 0.00 0.00 173.24 173.26 1va8 s GLY 4 N -1.49 -0.99 0.18 3.44 0.00 -1.26 -5.11 107.32 102.09 1va8 s GLY 4 Ca -0.11 1.85 0.00 0.00 0.00 0.00 0.00 44.72 46.46 1va8 s GLY 4 CO 0.03 3.96 0.00 -1.26 0.00 0.00 0.00 173.10 175.83 1va8 n SER 5 N 5.22 -7.91 -3.48 1.64 2.88 -1.26 -5.07 113.62 105.65 1va8 n SER 5 Ca 0.07 1.17 -0.01 0.00 -1.33 0.00 0.00 58.87 58.78 1va8 n SER 5 Cb 0.56 -4.46 -0.04 0.00 -0.75 0.00 0.00 64.21 59.53 1va8 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1va8 s SER 6 N -0.44 -1.07 0.00 -3.46 0.15 -1.26 -5.06 113.70 102.56 1va8 s SER 6 Ca 0.00 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1va8 s SER 6 Cb 0.00 2.11 0.00 0.00 -1.71 0.00 0.00 66.02 66.42 1va8 s SER 6 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1va8 n GLY 7 N 5.43 0.80 2.85 9.45 0.00 -1.26 -4.97 105.19 117.49 1va8 n GLY 7 Ca -0.08 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 2.25 -2.99 1.61 -0.04 -1.26 -4.92 135.00 129.66 1va8 n PRO 8 Ca 0.00 -2.14 -0.32 0.00 -0.04 0.00 0.00 63.50 61.00 1va8 n PRO 8 Cb 0.00 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 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 3.93 4.61 0.29 0.52 1.09 -1.26 -5.07 121.20 125.31 1va8 s ILE 9 Ca 0.52 1.06 -0.01 0.00 -1.10 0.00 0.00 60.65 61.12 1va8 s ILE 9 Cb 0.14 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 1va8 s ILE 9 CO 0.01 -0.29 0.50 -0.89 -0.10 0.00 0.00 174.94 174.17 1va8 s THR 10 N -2.11 5.11 -0.36 2.92 2.01 -1.26 -5.08 115.64 116.87 1va8 s THR 10 Ca 0.56 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1va8 s THR 10 Cb -0.10 -3.79 0.16 0.00 0.01 0.00 0.00 72.50 68.78 1va8 s THR 10 CO 0.19 -0.38 0.45 -1.81 -0.69 0.00 0.00 174.62 172.37 1va8 s ASP 11 N -3.55 0.32 -1.46 3.53 1.11 -1.26 -5.03 116.67 110.33 1va8 s ASP 11 Ca 0.40 -1.09 -0.09 0.00 0.18 0.00 0.00 52.55 51.96 1va8 s ASP 11 Cb -0.10 1.04 -0.09 0.00 1.07 0.00 0.00 42.92 44.83 1va8 s ASP 11 CO 0.32 -0.26 2.88 1.21 1.18 0.00 0.00 175.17 180.50 1va8 n GLU 12 N 4.57 3.41 0.00 8.23 2.13 -1.26 -3.66 120.64 134.06 1va8 n GLU 12 Ca 0.08 -2.04 0.00 0.00 0.66 0.00 0.00 57.16 55.86 1va8 n GLU 12 Cb 0.49 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1va8 n GLU 12 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1va8 n ARG 13 N 3.61 0.54 -3.69 5.31 -4.01 -1.26 -4.95 116.66 112.21 1va8 n ARG 13 Ca 0.73 -0.60 -0.36 0.00 -1.04 0.00 0.00 57.85 56.57 1va8 n ARG 13 Cb 0.25 -0.65 -0.09 0.00 -3.04 0.00 0.00 32.46 28.93 1va8 n ARG 13 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1va8 s VAL 14 N -0.21 3.92 0.46 8.89 -7.23 -1.24 -5.06 120.40 119.93 1va8 s VAL 14 Ca 0.00 -3.22 0.07 0.00 -1.81 0.00 0.00 61.98 57.02 1va8 s VAL 14 Cb 0.00 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1va8 s VAL 14 CO 0.00 -0.94 0.40 -0.31 -0.31 0.00 0.00 175.10 173.94 1va8 s TYR 15 N -0.44 2.33 0.00 2.82 1.51 -1.26 -5.15 117.35 117.16 1va8 s TYR 15 Ca 0.20 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1va8 s TYR 15 Cb -0.16 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1va8 s TYR 15 CO -0.06 -0.27 0.00 -1.91 -1.11 0.00 0.00 175.55 172.20 1va8 n GLU 16 N -1.63 3.77 -1.83 -0.62 2.13 -1.26 -4.98 120.64 116.21 1va8 n GLU 16 Ca 0.03 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.42 1va8 n GLU 16 Cb 0.63 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.31 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 6.10 -0.02 4.31 1.04 -1.26 -4.96 113.70 117.90 1va8 s SER 17 Ca 0.00 1.98 -0.12 0.00 0.48 0.00 0.00 55.95 58.29 1va8 s SER 17 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 1va8 s SER 17 CO 0.00 -1.43 0.33 -0.63 0.98 0.00 0.00 173.24 172.49 1va8 s ILE 18 N 6.01 5.17 0.00 -1.02 1.09 -1.26 -5.04 121.20 126.15 1va8 s ILE 18 Ca 0.85 0.62 0.00 0.00 -1.10 0.00 0.00 60.65 61.02 1va8 s ILE 18 Cb -0.32 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.46 1va8 s ILE 18 CO 0.34 0.56 0.58 0.61 -0.10 0.00 0.00 174.94 176.93 1va8 n GLY 19 N 1.76 -3.16 3.55 6.18 0.00 -1.26 -4.18 105.19 108.07 1va8 n GLY 19 Ca -0.15 0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1va8 n GLY 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1va8 n HIS 20 N -0.97 1.39 -2.47 1.61 1.44 -1.26 -2.65 115.22 112.32 1va8 n HIS 20 Ca 0.00 0.13 -0.43 0.00 -2.01 0.00 0.00 57.72 55.41 1va8 n HIS 20 Cb 0.00 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 27.49 1va8 n HIS 20 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1va8 n TYR 21 N 15.19 3.85 0.00 -1.40 4.02 -1.12 -4.65 117.16 133.06 1va8 n TYR 21 Ca 0.39 -3.00 0.00 0.00 -0.01 0.00 0.00 57.90 55.28 1va8 n TYR 21 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 39.34 37.63 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 3.68 2.13 1.59 2.72 0.00 -1.26 -4.05 105.19 110.01 1va8 n GLY 22 Ca 0.42 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.06 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.73 1va8 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.30 -0.30 -3.84 1.61 2.13 -1.26 -4.98 120.64 111.70 1va8 n GLU 24 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1va8 n GLU 24 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.64 0.25 -0.08 6.31 -4.23 -1.26 -2.78 115.64 113.21 1va8 s THR 25 Ca 0.00 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1va8 s THR 25 Cb 0.00 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 1va8 s THR 25 CO 0.00 0.21 0.04 0.68 -0.54 0.00 0.00 174.62 175.01 1va8 s VAL 26 N 1.61 4.58 -0.28 2.29 -7.23 -1.08 -4.80 120.40 115.48 1va8 s VAL 26 Ca -0.01 -0.19 -0.14 0.00 -1.81 0.00 0.00 61.98 59.83 1va8 s VAL 26 Cb -0.13 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1va8 s VAL 26 CO -0.03 0.57 0.31 -0.75 -0.31 0.00 0.00 175.10 174.89 1va8 s LYS 27 N -1.04 3.94 -0.12 4.82 2.20 0.29 -4.71 119.74 125.12 1va8 s LYS 27 Ca 0.15 -0.14 -0.16 0.00 -0.36 0.00 0.00 55.97 55.46 1va8 s LYS 27 Cb -0.12 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1va8 s LYS 27 CO 0.04 -0.28 0.40 0.42 -0.36 0.00 0.00 175.35 175.58 1va8 s ILE 28 N 1.96 5.22 -0.08 5.43 1.09 -1.26 -1.10 121.20 132.46 1va8 s ILE 28 Ca 0.12 0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 60.44 1va8 s ILE 28 Cb -0.16 -3.74 0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1va8 s ILE 28 CO 0.10 0.37 0.04 0.68 -0.10 0.00 0.00 174.94 176.03 1va8 s VAL 29 N 0.43 0.13 -0.45 2.92 -7.23 0.51 -4.96 120.40 111.75 1va8 s VAL 29 Ca 0.22 0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 60.34 1va8 s VAL 29 Cb -0.14 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.40 1va8 s VAL 29 CO 0.08 0.11 0.64 -0.13 -0.31 0.00 0.00 175.10 175.50 1va8 s ARG 30 N 2.06 3.25 -0.15 4.82 0.52 -1.26 -0.53 118.95 127.67 1va8 s ARG 30 Ca 0.04 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 54.73 1va8 s ARG 30 Cb -0.13 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 1va8 s ARG 30 CO -0.05 -1.05 0.09 0.42 0.02 0.00 0.00 175.30 174.73 1va8 s ILE 31 N 2.81 5.02 -0.30 1.52 1.01 -0.50 -4.86 121.20 125.89 1va8 s ILE 31 Ca 0.21 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 1va8 s ILE 31 Cb -0.15 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1va8 s ILE 31 CO 0.18 0.54 0.50 -1.61 0.00 0.00 0.00 174.94 174.55 1va8 s GLU 32 N -0.33 3.87 -0.07 2.79 2.02 -1.26 -0.76 118.70 124.95 1va8 s GLU 32 Ca 0.10 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.21 1va8 s GLU 32 Cb -0.12 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.39 1va8 s GLU 32 CO 0.01 -0.47 -0.19 0.15 0.02 0.00 0.00 175.26 174.78 1va8 s LYS 33 N 2.33 2.29 0.96 1.61 1.02 -1.01 -4.93 119.74 122.01 1va8 s LYS 33 Ca 0.20 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.37 1va8 s LYS 33 Cb -0.15 -1.84 0.17 0.00 -0.52 0.00 0.00 37.83 35.48 1va8 s LYS 33 CO 0.11 0.18 1.14 0.00 -0.92 0.00 0.00 175.35 175.86 1va8 s ALA 34 N 0.28 1.52 -0.05 5.17 0.00 -1.26 0.22 121.76 127.65 1va8 s ALA 34 Ca -0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1va8 s ALA 34 Cb -0.15 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1va8 s ALA 34 CO 0.05 -2.55 1.87 -2.13 0.00 0.00 0.00 175.76 173.00 1va8 n ARG 35 N -3.95 1.12 0.00 0.00 0.63 -1.26 -3.17 116.66 110.03 1va8 n ARG 35 Ca 0.08 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1va8 n ARG 35 Cb 0.59 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.41 1va8 n ARG 35 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1va8 n ASP 36 N 1.18 0.00 -4.16 6.15 5.75 -1.26 -5.13 116.55 119.08 1va8 n ASP 36 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.52 1va8 n ASP 36 Cb 0.52 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.82 0.33 2.12 -1.09 -1.19 -5.12 121.20 118.07 1va8 s ILE 37 Ca 0.00 -0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 57.27 1va8 s ILE 37 Cb 0.00 -1.59 -0.09 0.00 -1.58 0.00 0.00 42.46 39.19 1va8 s ILE 37 CO 0.00 0.51 1.07 -2.16 -1.23 0.00 0.00 174.94 173.13 1va8 s PRO 38 N 0.48 4.45 0.18 2.79 0.04 -1.26 -4.76 135.00 136.92 1va8 s PRO 38 Ca -0.17 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1va8 s PRO 38 Cb -0.17 -2.93 0.10 0.00 0.04 0.00 0.00 34.50 31.54 1va8 s PRO 38 CO 0.07 0.08 1.84 1.25 0.04 0.00 0.00 177.00 180.28 1va8 h LEU 39 N 3.29 0.64 1.17 -3.56 5.85 -1.97 -3.07 115.31 117.66 1va8 h LEU 39 Ca -0.47 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 57.91 1va8 h LEU 39 Cb 1.21 -0.15 0.03 0.00 0.37 0.00 0.00 40.66 42.12 1va8 h LEU 39 CO 0.65 0.46 -0.48 0.61 -0.34 0.00 0.00 178.44 179.34 1va8 n GLY 40 N -1.26 -0.30 2.95 3.75 0.00 -1.26 -2.11 105.19 106.96 1va8 n GLY 40 Ca 0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.00 -0.41 0.33 4.61 0.00 -1.26 0.19 121.76 122.21 1va8 s ALA 41 Ca 0.18 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1va8 s ALA 41 Cb -0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 1va8 s ALA 41 CO 0.22 -0.60 0.74 0.99 0.00 0.00 0.00 175.76 177.11 1va8 s THR 42 N 2.34 4.67 -0.12 0.00 2.01 0.52 -4.94 115.64 120.13 1va8 s THR 42 Ca 0.02 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 62.87 1va8 s THR 42 Cb -0.12 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1va8 s THR 42 CO -0.08 -0.20 0.30 0.68 -0.69 0.00 0.00 174.62 174.64 1va8 s VAL 43 N -2.00 -0.00 0.07 3.82 -7.23 -1.26 -0.29 120.40 113.50 1va8 s VAL 43 Ca 0.54 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 1va8 s VAL 43 Cb -0.10 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1va8 s VAL 43 CO 0.17 0.01 0.10 0.00 -0.31 0.00 0.00 175.10 175.07 1va8 s ARG 44 N 0.28 3.00 -0.50 4.82 3.03 0.50 -4.71 118.95 125.37 1va8 s ARG 44 Ca -0.01 -0.62 -0.19 0.00 2.03 0.00 0.00 55.73 56.94 1va8 s ARG 44 Cb -0.03 -2.80 0.06 0.00 -1.03 0.00 0.00 34.95 31.16 1va8 s ARG 44 CO -0.01 0.58 0.59 1.21 -1.13 0.00 0.00 175.30 176.55 1va8 s ASN 45 N -2.32 6.21 0.78 -2.89 3.04 -1.26 0.22 114.94 118.71 1va8 s ASN 45 Ca 0.29 -1.00 -0.11 0.00 0.04 0.00 0.00 52.86 52.08 1va8 s ASN 45 Cb -0.12 -2.27 0.07 0.00 -1.54 0.00 0.00 41.25 37.38 1va8 s ASN 45 CO 0.22 -0.86 1.14 -1.61 -3.04 0.00 0.00 177.10 172.94 1va8 s GLU 46 N 2.48 2.13 0.00 0.43 0.41 0.80 -4.87 118.70 120.07 1va8 s GLU 46 Ca 0.13 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 1va8 s GLU 46 Cb -0.20 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1va8 s GLU 46 CO 0.11 -1.45 0.00 -1.33 -0.49 0.00 0.00 175.26 172.09 1va8 n MET 47 N -3.20 0.00 -0.45 1.61 2.81 -1.26 -1.40 117.12 115.22 1va8 n MET 47 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1va8 n MET 47 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 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 -1.62 0.00 -3.97 7.83 8.00 -1.26 -4.97 116.55 120.55 1va8 n ASP 48 Ca 0.00 -1.64 -0.19 0.00 0.71 0.00 0.00 54.79 53.68 1va8 n ASP 48 Cb 0.00 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 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 -0.64 0.95 -0.43 -2.24 0.01 -0.50 -2.35 113.70 108.50 1va8 s SER 49 Ca 0.00 -0.14 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 1va8 s SER 49 Cb 0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 1va8 s SER 49 CO 0.00 0.05 0.59 0.54 0.41 0.00 0.00 173.24 174.83 1va8 s VAL 50 N 0.14 4.90 0.10 3.43 0.11 -1.24 0.28 120.40 128.13 1va8 s VAL 50 Ca -0.02 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1va8 s VAL 50 Cb -0.07 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 1va8 s VAL 50 CO -0.00 -0.53 -0.03 -0.63 -3.33 0.00 0.00 175.10 170.58 1va8 s ILE 51 N 2.63 3.78 0.60 7.04 1.09 0.13 0.14 121.20 136.61 1va8 s ILE 51 Ca 0.20 -1.11 -0.20 0.00 -1.10 0.00 0.00 60.65 58.44 1va8 s ILE 51 Cb -0.15 -2.80 -0.03 0.00 -1.06 0.00 0.00 42.46 38.43 1va8 s ILE 51 CO 0.17 0.10 1.33 -0.63 -0.10 0.00 0.00 174.94 175.82 1va8 s ILE 52 N -1.30 2.00 -0.05 2.92 -1.09 0.55 0.19 121.20 124.41 1va8 s ILE 52 Ca 0.24 0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.65 1va8 s ILE 52 Cb -0.11 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1va8 s ILE 52 CO 0.17 -0.00 -0.06 -1.54 -1.23 0.00 0.00 174.94 172.28 1va8 n SER 53 N -1.52 1.40 -3.64 3.58 3.41 0.61 -3.63 113.62 113.83 1va8 n SER 53 Ca 0.13 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1va8 n SER 53 Cb 0.46 -0.14 -0.04 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 -2.10 1.21 -0.15 4.33 3.52 -0.84 -4.93 118.95 119.99 1va8 s ARG 54 Ca -0.07 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1va8 s ARG 54 Cb 0.03 0.51 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 1va8 s ARG 54 CO 0.10 -0.50 -0.16 0.42 -0.81 0.00 0.00 175.30 174.36 1va8 s ILE 55 N -3.82 1.68 0.15 4.11 -1.09 -1.26 0.20 121.20 121.16 1va8 s ILE 55 Ca 0.05 -0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 57.58 1va8 s ILE 55 Cb 0.00 -1.56 -0.07 0.00 -1.58 0.00 0.00 42.46 39.25 1va8 s ILE 55 CO -0.09 0.48 0.62 -0.69 -1.23 0.00 0.00 174.94 174.03 1va8 s VAL 56 N 1.41 4.70 0.46 2.92 1.01 0.50 -4.95 120.40 126.45 1va8 s VAL 56 Ca 0.04 1.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 1va8 s VAL 56 Cb -0.13 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1va8 s VAL 56 CO -0.11 0.35 1.03 -0.75 0.00 0.00 0.00 175.10 175.63 1va8 s LYS 57 N -1.64 3.92 0.00 2.72 2.20 -1.26 -3.01 119.74 122.67 1va8 s LYS 57 Ca 0.36 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1va8 s LYS 57 Cb -0.17 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1va8 s LYS 57 CO 0.20 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1va8 n GLY 58 N -0.18 1.26 3.83 5.54 0.00 -1.26 -5.00 105.19 109.38 1va8 n GLY 58 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 2.20 0.40 -0.02 0.00 -1.16 -4.89 107.32 101.85 1va8 s GLY 59 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 44.72 45.08 1va8 s GLY 59 CO 0.00 0.57 2.04 0.00 0.00 0.00 0.00 173.10 175.71 1va8 h ALA 60 N 1.25 1.72 0.91 3.20 0.00 -1.32 0.47 119.26 125.49 1va8 h ALA 60 Ca -0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1va8 h ALA 60 Cb 1.19 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1va8 h ALA 60 CO 0.61 0.24 -0.44 0.00 0.00 0.00 0.00 179.25 179.67 1va8 h ALA 61 N 1.72 -1.24 0.17 0.00 0.00 -1.74 -1.55 119.26 116.63 1va8 h ALA 61 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1va8 h ALA 61 Cb 0.01 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1va8 h ALA 61 CO -0.04 -1.15 -0.42 1.49 0.00 0.00 0.00 179.25 179.13 1va8 h GLU 62 N -1.31 -0.67 -0.11 0.00 4.81 -1.70 0.56 114.58 116.17 1va8 h GLU 62 Ca -0.13 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1va8 h GLU 62 Cb 0.94 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1va8 h GLU 62 CO 0.21 -0.44 -0.07 0.87 -0.73 0.00 0.00 179.01 178.84 1va8 h LYS 63 N -0.69 -0.01 -0.68 1.92 1.57 -0.93 0.99 116.57 118.74 1va8 h LYS 63 Ca 0.01 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.96 1va8 h LYS 63 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1va8 h LYS 63 CO -0.21 -0.00 0.47 0.66 -0.57 0.00 0.00 179.45 179.80 1va8 h SER 64 N -0.01 0.15 -5.52 0.86 4.64 -1.11 -3.45 113.55 109.11 1va8 h SER 64 Ca 0.02 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 1va8 h SER 64 Cb 0.05 -0.02 0.14 0.00 -0.31 0.00 0.00 62.40 62.26 1va8 h SER 64 CO -0.11 0.07 -0.67 0.61 -0.87 0.00 0.00 176.83 175.87 1va8 n GLY 65 N -1.61 -0.41 0.27 -0.77 0.00 0.34 -4.89 105.19 98.12 1va8 n GLY 65 Ca 0.13 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.50 2.33 -3.82 0.99 4.77 -1.20 -4.95 117.00 110.64 1va8 n LEU 66 Ca -0.08 -1.93 -0.20 0.00 -0.03 0.00 0.00 56.01 53.77 1va8 n LEU 66 Cb 0.59 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.42 1va8 n LEU 66 CO 0.60 0.58 -0.39 -0.76 -1.33 0.00 0.00 177.39 176.09 1va8 s LEU 67 N -0.96 0.96 0.09 2.23 1.43 -1.26 -4.93 118.68 116.24 1va8 s LEU 67 Ca 0.10 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1va8 s LEU 67 Cb 0.05 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1va8 s LEU 67 CO 0.07 -0.13 -0.10 -1.38 0.23 0.00 0.00 176.35 175.04 1va8 s HIS 68 N 1.38 1.03 0.14 0.29 -3.43 -1.26 -4.73 115.29 108.70 1va8 s HIS 68 Ca -0.04 -0.62 -0.31 0.00 -0.80 0.00 0.00 55.06 53.28 1va8 s HIS 68 Cb -0.13 -0.57 -0.10 0.00 -1.43 0.00 0.00 32.58 30.35 1va8 s HIS 68 CO -0.02 -0.01 1.73 -1.21 -2.00 0.00 0.00 174.74 173.23 1va8 s GLU 69 N -2.57 4.16 0.00 -0.38 2.02 -1.26 -1.93 118.70 118.74 1va8 s GLU 69 Ca 0.03 2.51 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1va8 s GLU 69 Cb -0.04 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.77 1va8 s GLU 69 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1va8 n GLY 70 N 4.06 0.69 3.72 -1.39 0.00 -1.24 -4.90 105.19 106.13 1va8 n GLY 70 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.81 7.36 -0.16 1.61 1.01 -0.81 -3.78 116.67 120.07 1va8 s ASP 71 Ca 0.00 1.64 -0.13 0.00 0.71 0.00 0.00 52.55 54.77 1va8 s ASP 71 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1va8 s ASP 71 CO 0.00 -0.19 0.27 -0.70 0.21 0.00 0.00 175.17 174.76 1va8 s GLU 72 N 0.70 4.23 -0.11 8.23 2.12 -1.08 -0.33 118.70 132.45 1va8 s GLU 72 Ca 0.49 0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.80 1va8 s GLU 72 Cb -0.21 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1va8 s GLU 72 CO 0.27 0.26 0.11 0.08 -0.54 0.00 0.00 175.26 175.45 1va8 s VAL 73 N 0.41 5.28 0.00 3.70 1.01 0.36 -2.04 120.40 129.13 1va8 s VAL 73 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1va8 s VAL 73 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1va8 s VAL 73 CO 0.03 0.62 0.00 0.18 0.00 0.00 0.00 175.10 175.93 1va8 n LEU 74 N 2.00 0.76 -3.99 3.92 4.77 -0.98 -3.59 117.00 119.89 1va8 n LEU 74 Ca -0.20 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.62 1va8 n LEU 74 Cb 0.55 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 1va8 n LEU 74 CO 0.31 0.01 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.26 1va8 s GLU 75 N -1.82 0.54 -0.24 3.23 2.12 -1.20 0.47 118.70 121.80 1va8 s GLU 75 Ca 0.00 -0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 1va8 s GLU 75 Cb 0.00 -0.50 0.07 0.00 0.26 0.00 0.00 34.13 33.96 1va8 s GLU 75 CO 0.00 0.13 0.00 0.42 -0.54 0.00 0.00 175.26 175.28 1va8 s ILE 76 N -0.30 1.17 0.00 -3.70 1.01 0.67 -0.69 121.20 119.36 1va8 s ILE 76 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1va8 s ILE 76 Cb -0.03 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1va8 s ILE 76 CO -0.00 -0.27 0.00 -3.20 0.00 0.00 0.00 174.94 171.47 1va8 n ASN 77 N 4.78 -3.76 0.00 3.58 2.85 0.33 -1.62 115.26 121.42 1va8 n ASN 77 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1va8 n ASN 77 Cb 0.44 -1.91 0.00 0.00 1.24 0.00 0.00 39.78 39.56 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 -1.13 1.95 3.70 8.20 0.00 -1.26 -4.84 105.19 111.80 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 -1.97 3.77 0.32 -0.61 1.09 -0.64 -4.97 121.20 118.19 1va8 s ILE 79 Ca 0.00 1.19 -0.28 0.00 -1.10 0.00 0.00 60.65 60.46 1va8 s ILE 79 Cb 0.00 -3.77 -0.10 0.00 -1.06 0.00 0.00 42.46 37.54 1va8 s ILE 79 CO 0.00 0.03 1.18 -0.70 -0.10 0.00 0.00 174.94 175.35 1va8 s GLU 80 N 1.97 4.42 -0.02 2.79 2.12 -1.26 -0.24 118.70 128.47 1va8 s GLU 80 Ca 0.62 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1va8 s GLU 80 Cb -0.31 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1va8 s GLU 80 CO 0.27 -0.04 -0.02 -0.89 -0.54 0.00 0.00 175.26 174.04 1va8 n ILE 81 N 0.81 0.12 -0.72 -3.70 5.41 0.18 -4.90 119.36 116.55 1va8 n ILE 81 Ca 0.00 -0.05 -0.34 0.00 1.00 0.00 0.00 62.75 63.36 1va8 n ILE 81 Cb 0.44 -0.60 -0.07 0.00 -0.71 0.00 0.00 39.64 38.70 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 -2.53 0.00 -0.19 0.38 3.00 -1.10 0.21 116.66 116.43 1va8 n ARG 82 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1va8 n ARG 82 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 32.46 32.14 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 4.29 0.89 0.12 5.14 0.00 -0.99 -5.03 105.19 109.61 1va8 n GLY 83 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.19 0.89 -4.24 1.61 5.02 0.57 -5.09 118.16 114.72 1va8 n LYS 84 Ca 0.00 -0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 1va8 n LYS 84 Cb 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.12 2.17 0.18 4.39 2.15 -1.26 -4.94 116.67 118.24 1va8 s ASP 85 Ca 0.02 -0.69 -0.20 0.00 0.43 0.00 0.00 52.55 52.11 1va8 s ASP 85 Cb -0.00 -0.10 0.13 0.00 -0.30 0.00 0.00 42.92 42.65 1va8 s ASP 85 CO 0.01 -0.02 1.60 -0.37 -0.17 0.00 0.00 175.17 176.22 1va8 h VAL 86 N 4.03 0.22 -0.44 1.11 -1.51 -1.93 1.01 116.25 118.74 1va8 h VAL 86 Ca -0.43 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.11 1va8 h VAL 86 Cb 1.19 0.22 -0.06 0.00 -2.13 0.00 0.00 31.29 30.51 1va8 h VAL 86 CO 0.42 0.00 0.08 -1.13 -1.23 0.00 0.00 177.57 175.71 1va8 h ASN 87 N -0.16 -0.01 -0.32 4.19 -0.73 -1.96 0.69 115.58 117.28 1va8 h ASN 87 Ca 0.23 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.49 1va8 h ASN 87 Cb 0.53 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 1va8 h ASN 87 CO -0.63 0.03 0.17 -0.33 -0.37 0.00 0.00 177.43 176.30 1va8 h GLU 88 N 0.21 0.35 -0.42 6.67 5.08 -0.98 0.71 114.58 126.20 1va8 h GLU 88 Ca 0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1va8 h GLU 88 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1va8 h GLU 88 CO -0.29 0.23 0.26 0.28 -1.00 0.00 0.00 179.01 178.48 1va8 h VAL 89 N 0.36 1.13 0.63 3.13 2.07 0.19 0.83 116.25 124.60 1va8 h VAL 89 Ca 0.13 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1va8 h VAL 89 Cb 0.02 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1va8 h VAL 89 CO -0.07 0.13 -0.30 -0.26 0.02 0.00 0.00 177.57 177.09 1va8 h PHE 90 N 0.56 -0.79 -0.96 1.57 0.04 0.88 -2.09 116.94 116.15 1va8 h PHE 90 Ca 0.15 -0.02 0.28 0.00 2.80 0.00 0.00 57.97 61.18 1va8 h PHE 90 Cb -0.01 0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 1va8 h PHE 90 CO -0.03 -0.49 0.74 0.22 -0.60 0.00 0.00 178.31 178.14 1va8 h ASP 91 N -0.98 0.00 0.00 2.17 1.82 0.44 0.95 116.42 120.82 1va8 h ASP 91 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1va8 h ASP 91 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1va8 h ASP 91 CO 0.14 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.95 1va8 n LEU 92 N -4.09 0.01 -0.22 2.28 4.77 0.28 -2.27 117.00 117.76 1va8 n LEU 92 Ca 0.20 0.92 0.02 0.00 -0.03 0.00 0.00 56.01 57.12 1va8 n LEU 92 Cb 1.07 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1va8 n LEU 92 CO 0.37 -0.49 0.81 -0.07 -1.33 0.00 0.00 177.39 176.68 1va8 h LEU 93 N 0.00 -0.36 -0.96 2.23 3.38 -0.61 -0.24 115.31 118.74 1va8 h LEU 93 Ca 0.00 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1va8 h LEU 93 Cb 0.00 0.32 -0.13 0.00 0.09 0.00 0.00 40.66 40.93 1va8 h LEU 93 CO 0.00 -0.15 -0.48 -0.24 0.09 0.00 0.00 178.44 177.66 1va8 n SER 94 N -5.33 -0.83 -0.23 -0.43 2.88 0.23 0.19 113.62 110.11 1va8 n SER 94 Ca 0.10 1.70 -0.02 0.00 -1.33 0.00 0.00 58.87 59.32 1va8 n SER 94 Cb 0.38 -0.30 0.18 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.92 -4.34 -3.46 1.82 -0.65 -3.43 116.42 107.29 1va8 h ASP 95 Ca 0.24 -0.08 -0.49 0.00 -0.39 0.00 0.00 57.03 56.31 1va8 h ASP 95 Cb 0.48 -0.24 0.10 0.00 0.68 0.00 0.00 39.33 40.36 1va8 h ASP 95 CO -0.93 0.76 0.36 -0.04 -1.61 0.00 0.00 179.24 177.78 1va8 s MET 96 N -5.66 2.44 -0.08 0.28 -1.94 0.51 -5.08 119.30 109.78 1va8 s MET 96 Ca -0.11 0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 54.23 1va8 s MET 96 Cb 0.17 -1.96 0.11 0.00 2.01 0.00 0.00 34.83 35.16 1va8 s MET 96 CO 0.80 -1.37 0.89 -3.38 -0.01 0.00 0.00 175.02 171.95 1va8 s HIS 97 N -3.18 -0.42 0.00 -0.03 -3.43 -1.26 -4.85 115.29 102.12 1va8 s HIS 97 Ca 0.60 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.42 1va8 s HIS 97 Cb -0.13 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1va8 s HIS 97 CO 0.54 -0.47 0.00 0.41 -2.00 0.00 0.00 174.74 173.22 1va8 n GLY 98 N 0.39 -1.78 3.58 -1.38 0.00 0.60 -4.85 105.19 101.76 1va8 n GLY 98 Ca -0.11 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 3.30 -0.13 2.61 2.01 -1.25 -2.40 115.64 119.78 1va8 s THR 99 Ca 0.00 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 1va8 s THR 99 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1va8 s THR 99 CO 0.00 -0.39 0.04 -0.76 -0.69 0.00 0.00 174.62 172.82 1va8 s LEU 100 N 8.38 3.74 -0.61 4.42 1.02 0.06 -4.89 118.68 130.81 1va8 s LEU 100 Ca 0.83 0.14 -0.22 0.00 0.02 0.00 0.00 54.13 54.91 1va8 s LEU 100 Cb -0.21 -1.90 0.07 0.00 0.02 0.00 0.00 46.19 44.17 1va8 s LEU 100 CO 0.30 0.30 0.87 -0.89 0.02 0.00 0.00 176.35 176.94 1va8 s THR 101 N -0.37 4.50 -0.22 5.49 2.01 -1.26 -1.41 115.64 124.38 1va8 s THR 101 Ca 0.08 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 1va8 s THR 101 Cb -0.12 -4.57 -0.02 0.00 0.01 0.00 0.00 72.50 67.80 1va8 s THR 101 CO 0.02 -1.25 0.63 -0.36 -0.69 0.00 0.00 174.62 172.98 1va8 s PHE 102 N 3.60 3.34 -0.52 4.92 0.40 0.31 0.12 117.98 130.14 1va8 s PHE 102 Ca 0.21 0.89 -0.09 0.00 -0.60 0.00 0.00 56.93 57.33 1va8 s PHE 102 Cb -0.18 -2.82 0.13 0.00 0.51 0.00 0.00 43.02 40.67 1va8 s PHE 102 CO 0.11 -0.24 0.40 0.08 0.70 0.00 0.00 175.22 176.27 1va8 s VAL 103 N 2.16 4.29 0.19 -0.44 1.01 0.13 -0.36 120.40 127.37 1va8 s VAL 103 Ca 0.28 -1.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.27 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 -0.81 0.08 -1.48 0.00 0.00 0.00 175.10 172.98 1va8 s LEU 104 N 1.09 1.59 -0.09 3.92 0.05 -0.26 -2.32 118.68 122.66 1va8 s LEU 104 Ca 0.08 -1.30 0.03 0.00 0.05 0.00 0.00 54.13 52.99 1va8 s LEU 104 Cb -0.24 0.21 -0.01 0.00 -2.05 0.00 0.00 46.19 44.10 1va8 s LEU 104 CO -0.02 -0.74 -0.19 -0.63 -0.55 0.00 0.00 176.35 174.22 1va8 s ILE 105 N -3.96 2.54 -0.19 1.48 1.01 -0.86 0.10 121.20 121.32 1va8 s ILE 105 Ca 0.32 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 1va8 s ILE 105 Cb 0.07 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1va8 s ILE 105 CO 0.08 0.56 1.29 -2.16 0.00 0.00 0.00 174.94 174.70 1va8 s PRO 106 N 0.05 4.17 -1.25 2.79 0.04 -1.26 -2.64 135.00 136.89 1va8 s PRO 106 Ca -0.08 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1va8 s PRO 106 Cb -0.15 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.65 1va8 s PRO 106 CO 0.05 -0.80 1.72 0.45 0.04 0.00 0.00 177.00 178.47 1va8 s SER 107 N 2.20 6.63 -0.14 6.66 0.15 -1.25 -4.81 113.70 123.14 1va8 s SER 107 Ca 0.56 -2.25 -0.06 0.00 0.70 0.00 0.00 55.95 54.91 1va8 s SER 107 Cb -0.21 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.33 1va8 s SER 107 CO 0.17 -1.38 3.41 -1.20 1.20 0.00 0.00 173.24 175.43 1va8 n SER 108 N 9.01 5.61 0.00 5.45 7.64 -1.26 -4.49 113.62 135.58 1va8 n SER 108 Ca 0.47 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1va8 n SER 108 Cb 0.47 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 2.14 0.96 3.55 0.23 0.00 -1.26 -4.70 105.19 106.11 1va8 n GLY 109 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.24 3.00 -0.04 1.61 0.04 -1.26 -4.95 135.00 133.16 1va8 s PRO 110 Ca 0.00 -0.26 0.04 0.00 0.04 0.00 0.00 61.00 60.82 1va8 s PRO 110 Cb 0.00 -4.73 -0.00 0.00 0.04 0.00 0.00 34.50 29.81 1va8 s PRO 110 CO 0.00 -2.60 -0.15 -1.12 0.04 0.00 0.00 177.00 173.17 1va8 s SER 111 N 6.15 1.99 0.03 6.66 0.01 -1.26 -5.13 113.70 122.14 1va8 s SER 111 Ca 0.54 -0.33 -0.18 0.00 1.31 0.00 0.00 55.95 57.30 1va8 s SER 111 Cb -0.07 -0.60 -0.06 0.00 0.21 0.00 0.00 66.02 65.50 1va8 s SER 111 CO 0.06 0.13 0.50 -0.55 0.41 0.00 0.00 173.24 173.79 1va8 s SER 112 N 0.15 6.94 0.00 2.44 0.15 -1.26 -5.25 113.70 116.87 1va8 s SER 112 Ca -0.05 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1va8 s SER 112 Cb -0.12 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1va8 s SER 112 CO 0.02 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.34