#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm8 s THR 3 N 0.00 2.34 0.01 6.66 2.01 -1.26 -5.01 115.64 120.40 1sm8 s THR 3 Ca 0.00 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1sm8 s THR 3 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1sm8 s THR 3 CO 0.00 0.08 0.01 0.42 -0.69 0.00 0.00 174.62 174.44 1sm8 s THR 4 N -1.00 4.22 -0.24 -0.82 -4.23 -1.26 -5.10 115.64 107.22 1sm8 s THR 4 Ca 0.52 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 1sm8 s THR 4 Cb -0.44 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.54 1sm8 s THR 4 CO 0.57 0.33 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.65 1sm8 s LEU 5 N -1.72 2.99 0.38 4.79 2.96 -1.26 -4.92 118.68 121.91 1sm8 s LEU 5 Ca 0.21 -1.21 -0.27 0.00 -0.22 0.00 0.00 54.13 52.64 1sm8 s LEU 5 Cb -0.12 -1.43 -0.10 0.00 0.50 0.00 0.00 46.19 45.04 1sm8 s LEU 5 CO 0.12 -0.17 1.39 0.00 -1.32 0.00 0.00 176.35 176.37 1sm8 s ALA 6 N 1.21 3.44 -0.19 5.97 0.00 -1.26 -4.92 121.76 126.01 1sm8 s ALA 6 Ca -0.06 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 1sm8 s ALA 6 Cb -0.19 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.44 1sm8 s ALA 6 CO -0.06 -0.92 0.48 -1.50 0.00 0.00 0.00 175.76 173.76 1sm8 s ILE 7 N -1.17 -0.01 -0.16 0.00 2.07 -1.26 -2.25 121.20 118.42 1sm8 s ILE 7 Ca 0.54 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1sm8 s ILE 7 Cb -0.43 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 1sm8 s ILE 7 CO 0.56 0.01 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.79 1sm8 s VAL 8 N 0.74 2.91 -1.28 4.00 1.01 -0.36 -4.99 120.40 122.44 1sm8 s VAL 8 Ca -0.04 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1sm8 s VAL 8 Cb -0.05 -2.25 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1sm8 s VAL 8 CO -0.05 0.50 1.70 0.54 0.00 0.00 0.00 175.10 177.78 1sm8 n ARG 9 N 4.10 3.27 -0.34 2.72 1.74 -1.26 -2.19 116.66 124.70 1sm8 n ARG 9 Ca -0.19 -3.44 0.26 0.00 -0.77 0.00 0.00 57.85 53.71 1sm8 n ARG 9 Cb 0.52 -3.24 0.51 0.00 -1.02 0.00 0.00 32.46 29.23 1sm8 n ARG 9 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1sm8 h LEU 10 N 10.70 0.46 -7.90 0.55 3.38 -1.74 -2.95 115.31 117.81 1sm8 h LEU 10 Ca 0.41 0.19 -0.72 0.00 0.09 0.00 0.00 57.88 57.85 1sm8 h LEU 10 Cb 0.82 0.15 -0.30 0.00 0.09 0.00 0.00 40.66 41.41 1sm8 h LEU 10 CO 1.45 -0.17 -0.39 -0.62 0.09 0.00 0.00 178.44 178.80 1sm8 s ASP 11 N -4.82 5.66 0.21 -0.43 -1.08 -0.97 -4.95 116.67 110.29 1sm8 s ASP 11 Ca -0.10 -2.04 0.16 0.00 -0.52 0.00 0.00 52.55 50.05 1sm8 s ASP 11 Cb 0.30 -1.99 0.82 0.00 -1.46 0.00 0.00 42.92 40.60 1sm8 s ASP 11 CO 0.79 -0.65 1.49 -0.81 0.52 0.00 0.00 175.17 176.51 1sm8 n PRO 12 N 4.72 0.10 0.00 4.34 -0.04 -1.12 -2.72 135.00 140.29 1sm8 n PRO 12 Ca -0.05 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 64.12 1sm8 n PRO 12 Cb 0.41 -1.80 0.91 0.00 -0.04 0.00 0.00 33.50 32.98 1sm8 n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sm8 n GLY 13 N -1.10 -0.98 3.49 0.55 0.00 -1.26 -4.82 105.19 101.07 1sm8 n GLY 13 Ca -0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1sm8 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sm8 s LEU 14 N -2.02 2.71 0.76 0.99 1.43 -1.10 -5.05 118.68 116.39 1sm8 s LEU 14 Ca 0.46 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1sm8 s LEU 14 Cb 0.21 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1sm8 s LEU 14 CO 0.36 0.22 1.20 -2.84 0.23 0.00 0.00 176.35 175.52 1sm8 s PRO 15 N -1.80 1.95 0.21 1.29 0.02 -1.26 -4.95 135.00 130.47 1sm8 s PRO 15 Ca 0.17 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.63 1sm8 s PRO 15 Cb -0.11 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1sm8 s PRO 15 CO 0.08 -1.97 1.09 -1.17 -0.33 0.00 0.00 177.00 174.70 1sm8 s LEU 16 N -5.39 4.52 0.36 -5.54 2.96 -1.26 -4.92 118.68 109.42 1sm8 s LEU 16 Ca 0.73 2.14 -0.28 0.00 -0.22 0.00 0.00 54.13 56.50 1sm8 s LEU 16 Cb -0.28 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.68 1sm8 s LEU 16 CO 0.48 -0.17 1.40 -2.65 -1.32 0.00 0.00 176.35 174.09 1sm8 n PRO 17 N 1.93 2.43 -3.88 0.98 -0.02 -1.26 -5.00 135.00 130.17 1sm8 n PRO 17 Ca 0.01 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 1sm8 n PRO 17 Cb 0.46 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 1sm8 n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sm8 s SER 18 N -0.21 0.11 -0.54 2.55 1.04 -1.26 -4.97 113.70 110.42 1sm8 s SER 18 Ca 0.54 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 1sm8 s SER 18 Cb -0.52 0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.92 1sm8 s SER 18 CO 0.63 -0.59 1.08 -0.60 0.98 0.00 0.00 173.24 174.73 1sm8 s ARG 19 N -3.00 3.48 0.20 4.02 3.52 -1.26 -3.82 118.95 122.10 1sm8 s ARG 19 Ca -0.02 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 1sm8 s ARG 19 Cb 0.01 -4.00 0.15 0.00 -1.56 0.00 0.00 34.95 29.55 1sm8 s ARG 19 CO -0.06 -1.53 1.57 0.00 -0.81 0.00 0.00 175.30 174.46 1sm8 h ALA 20 N 9.38 -0.02 -2.90 6.12 0.00 -1.93 -3.42 119.26 126.49 1sm8 h ALA 20 Ca -0.25 0.20 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1sm8 h ALA 20 Cb 1.06 0.94 -0.18 0.00 0.00 0.00 0.00 17.79 19.61 1sm8 h ALA 20 CO 1.13 -0.69 -0.75 -1.01 0.00 0.00 0.00 179.25 177.93 1sm8 s HIS 21 N -5.93 1.25 0.30 0.00 3.76 -1.26 -5.06 115.29 108.35 1sm8 s HIS 21 Ca -0.14 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 53.90 1sm8 s HIS 21 Cb 0.17 -0.67 -0.11 0.00 1.11 0.00 0.00 32.58 33.08 1sm8 s HIS 21 CO 0.69 0.08 1.51 -0.51 -0.85 0.00 0.00 174.74 175.67 1sm8 s ASP 22 N -2.36 6.47 0.00 1.40 1.01 -1.26 -0.97 116.67 120.95 1sm8 s ASP 22 Ca 0.06 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.20 1sm8 s ASP 22 Cb -0.05 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1sm8 s ASP 22 CO 0.02 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.19 1sm8 n GLY 23 N 1.69 3.04 3.66 0.21 0.00 -1.26 -5.03 105.19 107.51 1sm8 n GLY 23 Ca 0.06 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1sm8 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sm8 n ASP 24 N 0.06 2.93 -0.10 1.61 8.00 -0.15 -4.88 116.55 124.03 1sm8 n ASP 24 Ca 0.00 1.06 -0.07 0.00 0.71 0.00 0.00 54.79 56.49 1sm8 n ASP 24 Cb 0.00 -1.36 0.01 0.00 -0.02 0.00 0.00 41.12 39.75 1sm8 n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sm8 h ALA 25 N 6.72 0.42 -4.05 2.24 0.00 -1.96 -3.46 119.26 119.16 1sm8 h ALA 25 Ca -0.46 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1sm8 h ALA 25 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1sm8 h ALA 25 CO 0.89 -0.22 -0.04 0.41 0.00 0.00 0.00 179.25 180.29 1sm8 n GLY 26 N -1.21 4.13 2.99 0.00 0.00 -1.26 -4.58 105.19 105.26 1sm8 n GLY 26 Ca 0.01 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 1sm8 n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm8 s VAL 27 N -1.21 0.84 0.14 1.61 -7.23 -0.32 -4.55 120.40 109.69 1sm8 s VAL 27 Ca 0.00 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 1sm8 s VAL 27 Cb 0.00 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 1sm8 s VAL 27 CO 0.00 0.28 1.29 -1.81 -0.31 0.00 0.00 175.10 174.54 1sm8 s ASP 28 N 0.50 6.95 -0.12 4.85 1.01 -1.25 -0.57 116.67 128.04 1sm8 s ASP 28 Ca -0.09 2.25 -0.10 0.00 0.71 0.00 0.00 52.55 55.32 1sm8 s ASP 28 Cb -0.12 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 1sm8 s ASP 28 CO 0.01 -0.52 0.22 -0.76 0.21 0.00 0.00 175.17 174.33 1sm8 s LEU 29 N 0.53 4.35 0.67 1.23 1.43 0.31 -4.33 118.68 122.86 1sm8 s LEU 29 Ca 0.59 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1sm8 s LEU 29 Cb -0.34 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.73 1sm8 s LEU 29 CO 0.33 0.30 0.93 -0.31 0.23 0.00 0.00 176.35 177.83 1sm8 s TYR 30 N -0.52 2.35 -0.16 0.29 1.51 -1.26 -2.06 117.35 117.50 1sm8 s TYR 30 Ca 0.16 0.01 -0.08 0.00 -1.01 0.00 0.00 57.07 56.14 1sm8 s TYR 30 Cb -0.13 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1sm8 s TYR 30 CO 0.05 -1.38 0.13 0.45 -1.11 0.00 0.00 175.55 173.68 1sm8 s SER 31 N -4.58 6.24 0.00 2.29 0.15 -0.25 -4.27 113.70 113.27 1sm8 s SER 31 Ca 0.62 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.87 1sm8 s SER 31 Cb -0.08 -2.06 0.74 0.00 -1.71 0.00 0.00 66.02 62.91 1sm8 s SER 31 CO 0.43 0.30 1.56 0.00 1.20 0.00 0.00 173.24 176.73 1sm8 n ALA 32 N 2.72 2.65 -2.55 5.45 0.00 -0.81 -0.85 120.51 127.11 1sm8 n ALA 32 Ca -0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 1sm8 n ALA 32 Cb 0.54 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1sm8 n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sm8 s GLU 33 N -2.08 1.24 -0.13 0.00 -1.05 -1.26 -4.84 118.70 110.59 1sm8 s GLU 33 Ca 0.33 -1.41 -0.09 0.00 -0.15 0.00 0.00 54.97 53.65 1sm8 s GLU 33 Cb 0.20 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1sm8 s GLU 33 CO 0.36 -0.45 0.17 -0.51 0.95 0.00 0.00 175.26 175.79 1sm8 s ASP 34 N -3.07 6.39 -0.05 0.83 1.01 -1.26 -2.45 116.67 118.07 1sm8 s ASP 34 Ca 0.28 0.46 -0.14 0.00 0.71 0.00 0.00 52.55 53.86 1sm8 s ASP 34 Cb 0.04 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.90 1sm8 s ASP 34 CO 0.07 0.33 0.33 -0.69 0.21 0.00 0.00 175.17 175.42 1sm8 s VAL 35 N -0.62 0.04 -0.10 -1.27 1.01 0.22 -4.95 120.40 114.73 1sm8 s VAL 35 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1sm8 s VAL 35 Cb -0.12 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1sm8 s VAL 35 CO 0.03 -0.17 -0.15 -0.70 0.00 0.00 0.00 175.10 174.12 1sm8 s GLU 36 N -0.82 2.14 -0.23 2.72 2.12 -1.26 0.27 118.70 123.64 1sm8 s GLU 36 Ca -0.09 -0.54 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 1sm8 s GLU 36 Cb -0.04 -1.81 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1sm8 s GLU 36 CO 0.03 -0.05 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.18 1sm8 s LEU 37 N 0.93 3.07 0.82 2.70 1.43 0.74 -4.92 118.68 123.46 1sm8 s LEU 37 Ca -0.08 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1sm8 s LEU 37 Cb -0.15 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1sm8 s LEU 37 CO -0.00 -0.03 1.10 0.00 0.23 0.00 0.00 176.35 177.64 1sm8 s ALA 38 N 1.51 2.08 0.33 4.21 0.00 -1.26 0.36 121.76 128.99 1sm8 s ALA 38 Ca 0.06 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 1sm8 s ALA 38 Cb -0.15 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 1sm8 s ALA 38 CO -0.02 -1.89 1.19 -2.30 0.00 0.00 0.00 175.76 172.75 1sm8 n PRO 39 N -3.54 1.84 -0.18 0.00 -0.02 -1.26 -1.22 135.00 130.62 1sm8 n PRO 39 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1sm8 n PRO 39 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1sm8 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sm8 n GLY 40 N 0.93 1.92 3.88 -1.23 0.00 0.36 -4.99 105.19 106.06 1sm8 n GLY 40 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1sm8 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sm8 s ARG 41 N -0.05 3.68 0.31 1.61 1.81 -0.35 -4.78 118.95 121.18 1sm8 s ARG 41 Ca 0.00 0.05 0.10 0.00 -1.72 0.00 0.00 55.73 54.16 1sm8 s ARG 41 Cb 0.00 -2.98 -0.06 0.00 -0.45 0.00 0.00 34.95 31.46 1sm8 s ARG 41 CO 0.00 0.56 -0.13 -0.98 -0.68 0.00 0.00 175.30 174.07 1sm8 s ARG 42 N -2.05 1.74 -0.22 3.54 1.70 -1.26 -1.06 118.95 121.33 1sm8 s ARG 42 Ca 0.34 -1.86 -0.18 0.00 -0.47 0.00 0.00 55.73 53.55 1sm8 s ARG 42 Cb -0.13 -1.68 0.06 0.00 -0.57 0.00 0.00 34.95 32.63 1sm8 s ARG 42 CO 0.19 0.21 0.58 0.00 -1.08 0.00 0.00 175.30 175.20 1sm8 s ALA 43 N -2.60 -1.48 -0.40 7.88 0.00 -0.09 -4.98 121.76 120.08 1sm8 s ALA 43 Ca 0.31 1.78 -0.23 0.00 0.00 0.00 0.00 51.96 53.82 1sm8 s ALA 43 Cb -0.00 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1sm8 s ALA 43 CO 0.15 -0.29 0.80 -1.17 0.00 0.00 0.00 175.76 175.25 1sm8 s LEU 44 N 0.69 4.16 -0.08 0.00 2.96 -1.26 -1.81 118.68 123.34 1sm8 s LEU 44 Ca -0.03 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1sm8 s LEU 44 Cb -0.05 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1sm8 s LEU 44 CO -0.05 -0.83 0.16 -0.69 -1.32 0.00 0.00 176.35 173.63 1sm8 s VAL 45 N 3.23 5.47 0.37 1.68 1.01 0.17 -4.88 120.40 127.45 1sm8 s VAL 45 Ca 0.31 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1sm8 s VAL 45 Cb -0.12 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1sm8 s VAL 45 CO 0.20 0.51 0.82 -0.13 0.00 0.00 0.00 175.10 176.50 1sm8 s ARG 46 N -1.36 4.06 -0.00 2.72 0.52 -1.26 -0.04 118.95 123.59 1sm8 s ARG 46 Ca 0.20 0.82 0.12 0.00 -0.52 0.00 0.00 55.73 56.35 1sm8 s ARG 46 Cb -0.12 -2.33 -0.14 0.00 0.52 0.00 0.00 34.95 32.87 1sm8 s ARG 46 CO 0.10 0.07 0.46 0.25 0.02 0.00 0.00 175.30 176.19 1sm8 n THR 47 N -0.55 0.00 -1.36 0.02 -2.24 -1.04 -1.92 114.28 107.18 1sm8 n THR 47 Ca 0.05 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1sm8 n THR 47 Cb 0.53 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1sm8 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm8 n GLY 48 N 1.39 0.61 3.24 3.38 0.00 -1.26 -4.49 105.19 108.06 1sm8 n GLY 48 Ca 0.01 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 1sm8 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm8 s VAL 49 N -2.19 0.10 -0.02 1.61 -7.23 -1.26 -1.97 120.40 109.44 1sm8 s VAL 49 Ca 0.00 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1sm8 s VAL 49 Cb 0.00 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.84 1sm8 s VAL 49 CO 0.00 -0.46 0.05 0.00 -0.31 0.00 0.00 175.10 174.37 1sm8 s ALA 50 N -3.21 -0.10 0.42 1.32 0.00 -0.93 -0.71 121.76 118.55 1sm8 s ALA 50 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1sm8 s ALA 50 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1sm8 s ALA 50 CO -0.07 -0.03 0.06 0.14 0.00 0.00 0.00 175.76 175.86 1sm8 s VAL 51 N 0.16 1.04 -0.63 0.00 -7.23 -1.26 -1.22 120.40 111.26 1sm8 s VAL 51 Ca -0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1sm8 s VAL 51 Cb -0.02 -2.47 0.18 0.00 0.56 0.00 0.00 36.38 34.63 1sm8 s VAL 51 CO -0.00 0.00 0.49 0.00 -0.31 0.00 0.00 175.10 175.27 1sm8 n ALA 52 N -0.96 3.33 -1.66 1.32 0.00 -0.95 -4.53 120.51 117.05 1sm8 n ALA 52 Ca -0.09 -4.21 -0.48 0.00 0.00 0.00 0.00 53.44 48.67 1sm8 n ALA 52 Cb 0.66 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 1sm8 n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sm8 n VAL 53 N 2.04 0.55 -1.64 0.00 0.31 -1.26 -4.53 118.33 113.80 1sm8 n VAL 53 Ca 0.23 -0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 64.03 1sm8 n VAL 53 Cb 0.39 -1.90 0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1sm8 n VAL 53 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1sm8 n PRO 54 N 6.91 1.23 -1.87 5.55 -0.02 -1.26 -4.34 135.00 141.20 1sm8 n PRO 54 Ca 0.24 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1sm8 n PRO 54 Cb 0.30 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1sm8 n PRO 54 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1sm8 s PHE 55 N -1.39 2.22 0.00 6.00 5.36 -1.26 -0.99 117.98 127.92 1sm8 s PHE 55 Ca 0.70 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 1sm8 s PHE 55 Cb -0.47 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.19 1sm8 s PHE 55 CO 0.51 -4.22 0.00 0.41 -1.46 0.00 0.00 175.22 170.46 1sm8 n GLY 56 N 4.11 0.65 3.55 13.12 0.00 -1.26 -5.07 105.19 120.28 1sm8 n GLY 56 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1sm8 n GLY 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sm8 n MET 57 N -1.43 0.61 -3.69 1.61 2.81 -0.16 -1.97 117.12 114.89 1sm8 n MET 57 Ca 0.00 -3.64 -0.14 0.00 -1.81 0.00 0.00 57.70 52.11 1sm8 n MET 57 Cb 0.00 1.71 -0.09 0.00 -0.71 0.00 0.00 33.22 34.13 1sm8 n MET 57 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1sm8 s VAL 58 N -3.08 0.00 0.40 2.03 0.11 0.44 -4.41 120.40 115.90 1sm8 s VAL 58 Ca 0.16 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.11 1sm8 s VAL 58 Cb 0.01 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1sm8 s VAL 58 CO 0.11 -0.02 0.71 -0.83 -3.33 0.00 0.00 175.10 171.74 1sm8 s GLY 59 N 0.04 1.72 -0.10 6.54 0.00 0.32 -2.22 107.32 113.62 1sm8 s GLY 59 Ca -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1sm8 s GLY 59 CO 0.02 -0.29 0.22 1.08 0.00 0.00 0.00 173.10 174.13 1sm8 s LEU 60 N -4.14 0.52 -0.35 0.66 1.43 -0.05 -1.48 118.68 115.27 1sm8 s LEU 60 Ca 0.47 0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.92 1sm8 s LEU 60 Cb -0.10 0.66 -0.01 0.00 0.03 0.00 0.00 46.19 46.77 1sm8 s LEU 60 CO 0.36 -0.16 0.25 -0.69 0.23 0.00 0.00 176.35 176.34 1sm8 s VAL 61 N 1.17 5.21 -0.02 -1.59 1.01 0.99 -0.94 120.40 126.23 1sm8 s VAL 61 Ca -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1sm8 s VAL 61 Cb -0.10 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1sm8 s VAL 61 CO -0.07 -0.08 -0.05 -1.00 0.00 0.00 0.00 175.10 173.90 1sm8 s HIS 62 N 1.70 2.96 0.60 5.22 3.76 0.39 -1.85 115.29 128.07 1sm8 s HIS 62 Ca 0.06 0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 1sm8 s HIS 62 Cb -0.18 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1sm8 s HIS 62 CO 0.10 0.39 1.07 -2.14 -0.85 0.00 0.00 174.74 173.30 1sm8 s PRO 63 N -1.24 3.25 -0.12 8.40 0.02 -1.26 -1.09 135.00 142.96 1sm8 s PRO 63 Ca 0.16 1.27 -0.24 0.00 0.02 0.00 0.00 61.00 62.21 1sm8 s PRO 63 Cb -0.11 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1sm8 s PRO 63 CO 0.06 -0.87 0.74 1.03 -0.33 0.00 0.00 177.00 177.63 1sm8 s ARG 64 N -3.99 4.36 0.43 5.54 0.52 -1.26 -4.77 118.95 119.78 1sm8 s ARG 64 Ca 0.65 0.90 0.11 0.00 -0.52 0.00 0.00 55.73 56.87 1sm8 s ARG 64 Cb -0.17 -3.51 0.94 0.00 0.52 0.00 0.00 34.95 32.73 1sm8 s ARG 64 CO 0.36 -0.12 2.02 0.66 0.02 0.00 0.00 175.30 178.25 1sm8 h SER 65 N 7.06 0.24 0.50 0.23 4.64 -1.96 -2.55 113.55 121.72 1sm8 h SER 65 Ca -0.36 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1sm8 h SER 65 Cb 1.17 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1sm8 h SER 65 CO 0.78 0.26 -0.35 1.23 -0.87 0.00 0.00 176.83 177.89 1sm8 h GLY 66 N 0.48 -1.05 1.42 -0.77 0.00 -1.99 -2.16 103.07 99.00 1sm8 h GLY 66 Ca 0.07 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1sm8 h GLY 66 CO -0.00 -0.35 0.33 1.41 0.00 0.00 0.00 176.54 177.93 1sm8 h LEU 67 N -0.81 0.68 -0.68 3.11 3.38 -1.91 -0.17 115.31 118.91 1sm8 h LEU 67 Ca -0.07 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sm8 h LEU 67 Cb 0.66 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1sm8 h LEU 67 CO 0.04 0.54 0.41 0.00 0.09 0.00 0.00 178.44 179.52 1sm8 h ALA 68 N 1.58 0.90 0.08 1.53 0.00 -1.35 0.21 119.26 122.21 1sm8 h ALA 68 Ca 0.20 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1sm8 h ALA 68 Cb -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sm8 h ALA 68 CO -0.04 0.14 -0.68 1.15 0.00 0.00 0.00 179.25 179.83 1sm8 h THR 69 N 0.79 1.50 0.49 0.00 2.02 -1.09 -2.34 112.91 114.28 1sm8 h THR 69 Ca 0.29 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.10 1sm8 h THR 69 Cb 0.09 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1sm8 h THR 69 CO -0.14 0.67 -0.23 -0.09 0.37 0.00 0.00 175.52 176.09 1sm8 h ARG 70 N -0.32 -0.63 -0.18 6.66 2.43 -0.92 -3.38 114.38 118.04 1sm8 h ARG 70 Ca -0.11 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1sm8 h ARG 70 Cb 1.47 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1sm8 h ARG 70 CO 0.13 -0.42 0.00 1.33 -1.51 0.00 0.00 179.97 179.50 1sm8 n VAL 71 N -4.11 0.50 -1.06 0.20 0.24 0.67 -4.98 118.33 109.79 1sm8 n VAL 71 Ca -0.08 -0.75 -0.02 0.00 -2.04 0.00 0.00 64.34 61.45 1sm8 n VAL 71 Cb 0.26 0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1sm8 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sm8 n GLY 72 N 0.57 0.55 3.68 7.63 0.00 -0.76 -4.38 105.19 112.48 1sm8 n GLY 72 Ca 0.09 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1sm8 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sm8 s LEU 73 N -0.49 4.26 0.00 0.99 2.96 -1.14 -1.64 118.68 123.62 1sm8 s LEU 73 Ca 0.00 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 1sm8 s LEU 73 Cb 0.00 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1sm8 s LEU 73 CO 0.00 -0.65 0.10 -0.24 -1.32 0.00 0.00 176.35 174.24 1sm8 n SER 74 N 5.60 1.12 -3.99 3.68 2.88 -0.62 -3.61 113.62 118.68 1sm8 n SER 74 Ca 0.12 -2.49 -0.30 0.00 -1.33 0.00 0.00 58.87 54.87 1sm8 n SER 74 Cb 0.45 0.71 -0.16 0.00 -0.75 0.00 0.00 64.21 64.46 1sm8 n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sm8 s ILE 75 N -2.60 1.49 0.26 2.46 1.01 -1.26 -1.52 121.20 121.04 1sm8 s ILE 75 Ca 0.14 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 1sm8 s ILE 75 Cb 0.01 -1.45 0.24 0.00 0.01 0.00 0.00 42.46 41.26 1sm8 s ILE 75 CO 0.10 0.38 1.75 0.58 0.00 0.00 0.00 174.94 177.76 1sm8 h VAL 76 N 6.14 0.71 -0.57 2.92 2.07 -1.18 -2.33 116.25 124.01 1sm8 h VAL 76 Ca -0.35 -0.20 -0.19 0.00 0.82 0.00 0.00 66.70 66.78 1sm8 h VAL 76 Cb 1.13 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1sm8 h VAL 76 CO 0.50 0.11 0.17 -0.46 0.02 0.00 0.00 177.57 177.90 1sm8 n ASN 77 N -4.90 4.03 -4.73 0.57 6.94 -1.26 -5.01 115.26 110.91 1sm8 n ASN 77 Ca 0.17 -3.33 -0.42 0.00 -0.02 0.00 0.00 54.58 50.97 1sm8 n ASN 77 Cb 0.43 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 1sm8 n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1sm8 s SER 78 N -1.59 6.45 -0.02 0.53 0.15 -0.88 -2.81 113.70 115.54 1sm8 s SER 78 Ca 0.50 2.81 -0.25 0.00 0.70 0.00 0.00 55.95 59.71 1sm8 s SER 78 Cb 0.42 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1sm8 s SER 78 CO 0.09 -0.91 0.77 -2.16 1.20 0.00 0.00 173.24 172.24 1sm8 s PRO 79 N 0.72 4.48 0.06 5.44 0.04 -1.26 -5.08 135.00 139.40 1sm8 s PRO 79 Ca 0.70 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 1sm8 s PRO 79 Cb -0.47 -3.42 -0.08 0.00 0.04 0.00 0.00 34.50 30.57 1sm8 s PRO 79 CO 0.36 0.13 1.61 0.20 0.04 0.00 0.00 177.00 179.34 1sm8 s GLY 80 N 0.52 1.60 -0.29 0.56 0.00 -0.77 -4.74 107.32 104.20 1sm8 s GLY 80 Ca 0.40 1.17 -0.19 0.00 0.00 0.00 0.00 44.72 46.10 1sm8 s GLY 80 CO 0.21 2.82 0.56 -1.59 0.00 0.00 0.00 173.10 175.11 1sm8 s THR 81 N 2.54 5.01 -0.36 0.90 2.01 -1.26 -0.01 115.64 124.48 1sm8 s THR 81 Ca 0.72 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 63.44 1sm8 s THR 81 Cb -0.39 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1sm8 s THR 81 CO 0.31 -0.04 0.17 -0.63 -0.69 0.00 0.00 174.62 173.74 1sm8 s ILE 82 N 2.44 4.33 0.67 1.82 -1.09 -0.55 -4.96 121.20 123.86 1sm8 s ILE 82 Ca 0.22 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 1sm8 s ILE 82 Cb -0.15 -3.40 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1sm8 s ILE 82 CO 0.11 -0.18 1.06 -1.81 -1.23 0.00 0.00 174.94 172.89 1sm8 s ASP 83 N 1.51 5.41 0.30 3.58 1.01 -1.26 -0.52 116.67 126.70 1sm8 s ASP 83 Ca 0.01 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.96 1sm8 s ASP 83 Cb -0.19 -2.51 0.46 0.00 1.01 0.00 0.00 42.92 41.69 1sm8 s ASP 83 CO 0.05 -1.42 1.90 0.00 0.21 0.00 0.00 175.17 175.91 1sm8 h ALA 84 N -0.41 1.33 0.00 5.23 0.00 -1.77 -2.77 119.26 120.87 1sm8 h ALA 84 Ca -0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1sm8 h ALA 84 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sm8 h ALA 84 CO 0.56 0.52 -0.19 0.78 0.00 0.00 0.00 179.25 180.92 1sm8 h GLY 85 N 0.98 0.00 -4.30 0.00 0.00 -1.92 -3.39 103.07 94.45 1sm8 h GLY 85 Ca 0.22 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.03 1sm8 h GLY 85 CO -0.03 0.00 0.76 -0.47 0.00 0.00 0.00 176.54 176.80 1sm8 s TYR 86 N -3.91 3.05 -0.01 5.60 5.04 -1.05 -4.93 117.35 121.15 1sm8 s TYR 86 Ca -0.01 0.99 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1sm8 s TYR 86 Cb 0.12 -3.81 0.02 0.00 0.35 0.00 0.00 41.96 38.64 1sm8 s TYR 86 CO 0.62 -2.68 0.76 0.54 -1.34 0.00 0.00 175.55 173.45 1sm8 n ARG 87 N 2.60 1.08 -0.72 4.97 5.12 -1.26 -4.61 116.66 123.84 1sm8 n ARG 87 Ca 0.08 -1.02 -0.05 0.00 -1.93 0.00 0.00 57.85 54.93 1sm8 n ARG 87 Cb 0.40 -0.73 0.03 0.00 -1.16 0.00 0.00 32.46 31.00 1sm8 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sm8 n GLY 88 N -0.26 -0.01 3.72 -0.13 0.00 -1.26 -4.79 105.19 102.46 1sm8 n GLY 88 Ca 0.01 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1sm8 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sm8 s GLU 89 N -3.11 4.66 -0.06 1.61 2.12 -1.26 -4.27 118.70 118.37 1sm8 s GLU 89 Ca 0.12 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 56.62 1sm8 s GLU 89 Cb -0.01 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1sm8 s GLU 89 CO 0.08 0.13 1.32 0.42 -0.54 0.00 0.00 175.26 176.68 1sm8 s ILE 90 N 0.25 4.03 -0.01 -3.70 1.01 0.11 -4.98 121.20 117.91 1sm8 s ILE 90 Ca 0.48 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.55 1sm8 s ILE 90 Cb -0.23 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1sm8 s ILE 90 CO 0.30 -0.04 -0.25 -0.54 0.00 0.00 0.00 174.94 174.40 1sm8 s LYS 91 N 2.74 2.02 -0.15 2.79 1.02 -1.26 -2.49 119.74 124.42 1sm8 s LYS 91 Ca 0.60 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 55.62 1sm8 s LYS 91 Cb -0.27 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1sm8 s LYS 91 CO 0.22 0.54 -0.02 0.08 -0.92 0.00 0.00 175.35 175.25 1sm8 s VAL 92 N -0.62 4.05 -1.28 3.17 1.01 0.94 -4.87 120.40 122.81 1sm8 s VAL 92 Ca 0.10 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1sm8 s VAL 92 Cb -0.10 -2.77 0.16 0.00 0.00 0.00 0.00 36.38 33.67 1sm8 s VAL 92 CO -0.01 0.51 1.80 0.00 0.00 0.00 0.00 175.10 177.40 1sm8 n ALA 93 N 3.31 5.00 -1.76 5.51 0.00 -1.26 0.45 120.51 131.76 1sm8 n ALA 93 Ca -0.17 -4.26 -0.37 0.00 0.00 0.00 0.00 53.44 48.64 1sm8 n ALA 93 Cb 0.53 -3.05 0.01 0.00 0.00 0.00 0.00 19.45 16.94 1sm8 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sm8 s LEU 94 N 0.50 3.89 -0.11 0.00 1.43 -0.75 -0.63 118.68 123.00 1sm8 s LEU 94 Ca 0.41 2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 55.84 1sm8 s LEU 94 Cb 0.07 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.98 1sm8 s LEU 94 CO -0.00 -1.23 0.30 -0.51 0.23 0.00 0.00 176.35 175.14 1sm8 s ILE 95 N -1.51 -0.01 -0.56 -0.59 2.07 -0.57 -0.91 121.20 119.12 1sm8 s ILE 95 Ca 0.69 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.74 1sm8 s ILE 95 Cb -0.31 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 41.90 1sm8 s ILE 95 CO 0.37 0.01 0.85 0.21 -1.91 0.00 0.00 174.94 174.47 1sm8 s ASN 96 N 0.45 6.27 0.00 4.50 3.84 -0.22 -1.58 114.94 128.20 1sm8 s ASN 96 Ca -0.02 -0.66 0.25 0.00 0.21 0.00 0.00 52.86 52.64 1sm8 s ASN 96 Cb -0.04 -2.39 0.97 0.00 -0.55 0.00 0.00 41.25 39.24 1sm8 s ASN 96 CO -0.02 -1.16 1.68 0.18 -2.79 0.00 0.00 177.10 174.99 1sm8 n LEU 97 N 7.10 1.44 -4.79 3.21 4.77 -0.65 -0.49 117.00 127.58 1sm8 n LEU 97 Ca -0.02 -0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 55.06 1sm8 n LEU 97 Cb 0.46 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1sm8 n LEU 97 CO 0.61 0.27 0.70 -0.62 -1.33 0.00 0.00 177.39 177.02 1sm8 s ASP 98 N -1.80 6.87 0.08 -1.43 2.15 -1.26 -4.89 116.67 116.39 1sm8 s ASP 98 Ca 0.36 1.92 -0.20 0.00 0.43 0.00 0.00 52.55 55.06 1sm8 s ASP 98 Cb 0.19 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 40.14 1sm8 s ASP 98 CO 0.30 -0.41 1.52 -0.65 -0.17 0.00 0.00 175.17 175.76 1sm8 h PRO 99 N 2.44 0.36 0.00 4.34 0.11 -1.95 -3.32 132.00 133.97 1sm8 h PRO 99 Ca -0.48 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1sm8 h PRO 99 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sm8 h PRO 99 CO 0.62 0.53 -0.90 0.00 -0.21 0.00 0.00 178.00 178.05 1sm8 n ALA 100 N -2.32 1.87 -2.62 -0.75 0.00 -1.26 -4.75 120.51 110.69 1sm8 n ALA 100 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1sm8 n ALA 100 Cb 0.22 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 1sm8 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm8 s ALA 101 N -1.87 3.56 0.63 0.00 0.00 -1.26 -4.67 121.76 118.14 1sm8 s ALA 101 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1sm8 s ALA 101 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1sm8 s ALA 101 CO 0.00 -1.10 1.20 -2.14 0.00 0.00 0.00 175.76 173.72 1sm8 s PRO 102 N 2.83 2.79 -0.14 0.00 0.02 -1.26 -4.54 135.00 134.70 1sm8 s PRO 102 Ca 0.31 1.76 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 1sm8 s PRO 102 Cb -0.15 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 1sm8 s PRO 102 CO 0.11 -1.33 -0.07 0.42 -0.33 0.00 0.00 177.00 175.80 1sm8 s ILE 103 N -1.76 3.64 -0.19 2.83 1.01 0.16 -4.92 121.20 121.98 1sm8 s ILE 103 Ca 0.76 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1sm8 s ILE 103 Cb -0.29 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1sm8 s ILE 103 CO 0.36 0.51 -0.03 -0.69 0.00 0.00 0.00 174.94 175.10 1sm8 s VAL 104 N 0.21 3.72 -0.08 2.92 1.01 -1.26 -0.18 120.40 126.73 1sm8 s VAL 104 Ca -0.04 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1sm8 s VAL 104 Cb -0.14 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 1sm8 s VAL 104 CO 0.04 0.45 -0.24 -0.69 0.00 0.00 0.00 175.10 174.65 1sm8 s VAL 105 N 0.94 2.01 0.07 2.92 1.01 0.14 -4.99 120.40 122.50 1sm8 s VAL 105 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1sm8 s VAL 105 Cb -0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1sm8 s VAL 105 CO 0.01 0.55 -0.20 -1.00 0.00 0.00 0.00 175.10 174.46 1sm8 s HIS 106 N 0.15 2.49 0.11 5.22 3.76 -1.26 0.69 115.29 126.45 1sm8 s HIS 106 Ca -0.13 -0.30 -0.35 0.00 -0.15 0.00 0.00 55.06 54.13 1sm8 s HIS 106 Cb -0.16 -1.41 -0.17 0.00 1.11 0.00 0.00 32.58 31.96 1sm8 s HIS 106 CO 0.07 0.27 1.22 -2.13 -0.85 0.00 0.00 174.74 173.32 1sm8 n ARG 107 N 1.38 1.00 0.00 1.40 0.63 -1.02 -0.99 116.66 119.06 1sm8 n ARG 107 Ca -0.16 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1sm8 n ARG 107 Cb 0.52 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1sm8 n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sm8 n GLY 108 N 2.21 0.78 3.85 5.14 0.00 -0.03 -4.96 105.19 112.17 1sm8 n GLY 108 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1sm8 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sm8 s ASP 109 N -1.86 6.11 -0.43 1.61 1.01 -0.16 -4.75 116.67 118.20 1sm8 s ASP 109 Ca 0.00 1.53 -0.19 0.00 0.71 0.00 0.00 52.55 54.60 1sm8 s ASP 109 Cb 0.00 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.46 1sm8 s ASP 109 CO 0.00 -0.95 0.56 -0.13 0.21 0.00 0.00 175.17 174.86 1sm8 s ARG 110 N -4.78 3.21 0.00 8.23 0.52 -1.26 -1.09 118.95 123.78 1sm8 s ARG 110 Ca 0.57 -0.52 0.11 0.00 -0.52 0.00 0.00 55.73 55.38 1sm8 s ARG 110 Cb -0.12 -3.95 0.06 0.00 0.52 0.00 0.00 34.95 31.46 1sm8 s ARG 110 CO 0.47 -0.94 0.80 0.44 0.02 0.00 0.00 175.30 176.09 1sm8 n ILE 111 N 5.68 0.00 -3.59 1.52 -5.35 -0.87 -5.00 119.36 111.75 1sm8 n ILE 111 Ca -0.04 -0.47 -0.05 0.00 -0.27 0.00 0.00 62.75 61.93 1sm8 n ILE 111 Cb 0.48 1.20 -0.02 0.00 -1.74 0.00 0.00 39.64 39.56 1sm8 n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm8 s ALA 112 N -1.09 -2.05 -0.01 -1.28 0.00 -1.21 -4.57 121.76 111.54 1sm8 s ALA 112 Ca 0.12 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.75 1sm8 s ALA 112 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1sm8 s ALA 112 CO 0.18 -0.55 -0.24 1.14 0.00 0.00 0.00 175.76 176.29 1sm8 s GLN 113 N -2.25 2.12 -0.13 0.00 -2.07 -0.25 0.11 119.66 117.20 1sm8 s GLN 113 Ca 0.08 -0.92 -0.04 0.00 -1.82 0.00 0.00 55.36 52.66 1sm8 s GLN 113 Cb -0.01 -2.08 -0.04 0.00 -1.09 0.00 0.00 33.01 29.79 1sm8 s GLN 113 CO -0.05 0.56 0.03 -1.17 -1.32 0.00 0.00 175.29 173.34 1sm8 s LEU 114 N -0.73 3.68 0.18 2.60 2.96 0.27 -0.46 118.68 127.18 1sm8 s LEU 114 Ca 0.11 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.23 1sm8 s LEU 114 Cb -0.10 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1sm8 s LEU 114 CO -0.00 0.29 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.34 1sm8 s LEU 115 N -0.34 2.43 -0.02 -0.68 1.02 -0.11 -1.17 118.68 119.81 1sm8 s LEU 115 Ca 0.08 -0.85 0.04 0.00 0.02 0.00 0.00 54.13 53.41 1sm8 s LEU 115 Cb -0.12 -1.04 -0.00 0.00 0.02 0.00 0.00 46.19 45.05 1sm8 s LEU 115 CO 0.02 0.06 -0.12 -0.69 0.02 0.00 0.00 176.35 175.64 1sm8 s VAL 116 N -1.77 1.00 0.08 -1.59 1.01 -1.26 -0.87 120.40 117.00 1sm8 s VAL 116 Ca 0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1sm8 s VAL 116 Cb -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1sm8 s VAL 116 CO 0.08 0.29 0.34 -1.10 0.00 0.00 0.00 175.10 174.72 1sm8 s GLN 117 N -0.10 0.93 0.77 2.72 -0.21 -0.94 -4.98 119.66 117.84 1sm8 s GLN 117 Ca 0.01 -0.61 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 1sm8 s GLN 117 Cb -0.07 0.40 0.05 0.00 1.00 0.00 0.00 33.01 34.40 1sm8 s GLN 117 CO 0.00 -0.33 1.08 1.03 -2.12 0.00 0.00 175.29 174.96 1sm8 s ARG 118 N -3.17 2.29 -0.06 2.91 0.52 -1.26 -0.42 118.95 119.76 1sm8 s ARG 118 Ca -0.01 0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 56.05 1sm8 s ARG 118 Cb 0.01 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.58 1sm8 s ARG 118 CO -0.07 -1.54 0.18 0.54 0.02 0.00 0.00 175.30 174.42 1sm8 s VAL 119 N -3.02 0.01 -0.57 3.52 0.11 -0.83 -4.73 120.40 114.89 1sm8 s VAL 119 Ca 0.60 -0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 59.30 1sm8 s VAL 119 Cb -0.16 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1sm8 s VAL 119 CO 0.55 -0.04 1.17 -1.61 -3.33 0.00 0.00 175.10 171.84 1sm8 s GLU 120 N -0.07 3.51 -1.25 1.54 0.41 -1.26 -4.74 118.70 116.85 1sm8 s GLU 120 Ca -0.02 0.22 -0.17 0.00 -0.41 0.00 0.00 54.97 54.60 1sm8 s GLU 120 Cb -0.02 -4.01 -0.02 0.00 -1.78 0.00 0.00 34.13 28.30 1sm8 s GLU 120 CO 0.00 -1.64 2.09 1.28 -0.49 0.00 0.00 175.26 176.50 1sm8 n LEU 121 N 8.31 5.82 -4.75 1.80 4.77 -1.26 -4.92 117.00 126.77 1sm8 n LEU 121 Ca 0.08 -3.75 -0.36 0.00 -0.03 0.00 0.00 56.01 51.95 1sm8 n LEU 121 Cb 0.49 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1sm8 n LEU 121 CO 0.71 0.52 0.85 0.68 -1.33 0.00 0.00 177.39 178.82 1sm8 s VAL 122 N 4.06 2.62 -0.38 4.08 -7.23 -1.26 -5.00 120.40 117.28 1sm8 s VAL 122 Ca 0.51 0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 60.96 1sm8 s VAL 122 Cb 0.13 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.93 1sm8 s VAL 122 CO -0.01 -0.07 0.23 -0.70 -0.31 0.00 0.00 175.10 174.24 1sm8 s GLU 123 N -3.25 2.86 0.28 4.82 2.56 -1.26 -5.07 118.70 119.65 1sm8 s GLU 123 Ca 0.76 -1.07 -0.29 0.00 0.00 0.00 0.00 54.97 54.37 1sm8 s GLU 123 Cb -0.31 -3.79 -0.10 0.00 2.00 0.00 0.00 34.13 31.93 1sm8 s GLU 123 CO 0.34 -0.71 1.34 -0.51 -0.56 0.00 0.00 175.26 175.16 1sm8 s LEU 124 N 1.58 4.42 -0.10 2.70 1.02 -1.26 -5.02 118.68 122.01 1sm8 s LEU 124 Ca 0.03 2.62 -0.02 0.00 0.02 0.00 0.00 54.13 56.78 1sm8 s LEU 124 Cb -0.19 -3.63 0.03 0.00 0.02 0.00 0.00 46.19 42.42 1sm8 s LEU 124 CO 0.07 -0.57 -0.00 -0.69 0.02 0.00 0.00 176.35 175.18 1sm8 s VAL 125 N -0.58 0.51 0.18 -1.59 1.01 -1.26 -5.12 120.40 113.54 1sm8 s VAL 125 Ca 0.53 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1sm8 s VAL 125 Cb -0.39 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 1sm8 s VAL 125 CO 0.47 0.18 1.15 -0.70 0.00 0.00 0.00 175.10 176.19 1sm8 s GLU 126 N 1.91 4.54 0.25 2.72 2.12 -1.26 -5.03 118.70 123.94 1sm8 s GLU 126 Ca 0.04 1.80 0.05 0.00 0.36 0.00 0.00 54.97 57.21 1sm8 s GLU 126 Cb -0.13 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1sm8 s GLU 126 CO -0.06 -0.01 -0.02 0.14 -0.54 0.00 0.00 175.26 174.77 1sm8 s VAL 127 N -0.14 1.24 0.06 3.70 -7.23 -1.26 -5.07 120.40 111.69 1sm8 s VAL 127 Ca 0.51 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 1sm8 s VAL 127 Cb -0.31 -2.37 -0.14 0.00 0.56 0.00 0.00 36.38 34.11 1sm8 s VAL 127 CO 0.36 -0.32 1.32 0.77 -0.31 0.00 0.00 175.10 176.91 1sm8 h SER 128 N 2.41 0.57 -5.40 4.85 4.64 -2.10 -3.48 113.55 115.04 1sm8 h SER 128 Ca -0.39 -0.55 0.18 0.00 -0.47 0.00 0.00 61.79 60.57 1sm8 h SER 128 Cb 1.23 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 1sm8 h SER 128 CO 0.66 1.01 0.55 -0.94 -0.87 0.00 0.00 176.83 177.24 1sm8 s SER 129 N -6.46 -0.09 0.00 4.97 1.04 -1.26 -5.36 113.70 106.55 1sm8 s SER 129 Ca -0.13 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 55.87 1sm8 s SER 129 Cb 0.06 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1sm8 s SER 129 CO 0.80 -0.89 0.71 0.49 0.98 0.00 0.00 173.24 175.33