#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca9 n GLU -1 N 0.00 0.00 0.00 4.33 4.07 -1.26 -2.47 120.64 125.31 3ca9 n GLU -1 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3ca9 n GLU -1 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3ca9 n GLU -1 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3ca9 n PHE 0 N 0.00 0.00 -0.45 4.31 7.35 -1.26 -4.96 117.46 122.45 3ca9 n PHE 0 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 3ca9 n PHE 0 Cb 0.00 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.17 3ca9 n PHE 0 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 3ca9 n MET 1 N 0.00 3.48 -1.31 -4.13 1.56 -1.03 -3.93 117.12 111.76 3ca9 n MET 1 Ca 0.00 -2.69 -0.27 0.00 -0.27 0.00 0.00 57.70 54.47 3ca9 n MET 1 Cb 0.00 -1.83 0.12 0.00 2.15 0.00 0.00 33.22 33.66 3ca9 n MET 1 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3ca9 n SER 2 N 1.13 5.57 -3.14 6.12 3.41 -1.26 -4.94 113.62 120.50 3ca9 n SER 2 Ca 0.24 -3.73 -0.12 0.00 -0.26 0.00 0.00 58.87 55.00 3ca9 n SER 2 Cb 0.82 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3ca9 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ca9 n SER 3 N -1.00 2.15 -4.56 4.04 3.41 -1.25 -4.71 113.62 111.70 3ca9 n SER 3 Ca 0.57 -1.85 -0.40 0.00 -0.26 0.00 0.00 58.87 56.92 3ca9 n SER 3 Cb 1.06 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 3ca9 n SER 3 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ca9 s LEU 4 N 0.00 3.26 -0.27 1.04 2.96 -1.26 -4.26 118.68 120.15 3ca9 s LEU 4 Ca 0.06 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.66 3ca9 s LEU 4 Cb -0.01 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 44.02 3ca9 s LEU 4 CO 0.04 -1.97 1.05 -0.76 -1.32 0.00 0.00 176.35 173.38 3ca9 s LEU 5 N 6.85 4.03 -0.06 -0.68 1.02 -0.97 -4.96 118.68 123.91 3ca9 s LEU 5 Ca 0.49 1.22 0.06 0.00 0.02 0.00 0.00 54.13 55.92 3ca9 s LEU 5 Cb -0.10 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 3ca9 s LEU 5 CO 0.19 -0.75 -0.23 -0.69 0.02 0.00 0.00 176.35 174.89 3ca9 s VAL 6 N 3.38 2.29 -0.28 -1.59 1.01 -1.26 -0.99 120.40 122.97 3ca9 s VAL 6 Ca 0.44 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ca9 s VAL 6 Cb -0.14 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.48 3ca9 s VAL 6 CO 0.10 0.57 0.03 -0.75 0.00 0.00 0.00 175.10 175.05 3ca9 s LYS 7 N -0.28 1.17 0.11 2.72 2.47 -0.72 -5.01 119.74 120.20 3ca9 s LYS 7 Ca 0.00 -1.15 -0.31 0.00 -1.56 0.00 0.00 55.97 52.95 3ca9 s LYS 7 Cb -0.13 -2.45 -0.09 0.00 -1.46 0.00 0.00 37.83 33.70 3ca9 s LYS 7 CO 0.03 -0.81 1.58 0.15 0.16 0.00 0.00 175.35 176.45 3ca9 s LYS 8 N 1.42 4.22 -0.14 4.03 1.02 -1.26 -1.82 119.74 127.20 3ca9 s LYS 8 Ca 0.04 2.30 -0.01 0.00 0.02 0.00 0.00 55.97 58.32 3ca9 s LYS 8 Cb -0.18 -3.37 -0.24 0.00 -0.52 0.00 0.00 37.83 33.52 3ca9 s LYS 8 CO -0.14 -0.64 0.26 1.28 -0.92 0.00 0.00 175.35 175.19 3ca9 n LEU 9 N 4.73 2.35 -4.62 3.17 4.77 0.18 -4.87 117.00 122.71 3ca9 n LEU 9 Ca 0.14 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 3ca9 n LEU 9 Cb 0.40 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3ca9 n LEU 9 CO 0.62 0.80 -0.36 -0.69 -1.33 0.00 0.00 177.39 176.42 3ca9 s VAL 10 N -2.55 3.83 0.40 4.08 1.01 -1.07 -5.00 120.40 121.11 3ca9 s VAL 10 Ca -0.22 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.16 3ca9 s VAL 10 Cb 0.07 -2.67 0.28 0.00 0.00 0.00 0.00 36.38 34.07 3ca9 s VAL 10 CO 0.74 0.41 2.02 -0.08 0.00 0.00 0.00 175.10 178.20 3ca9 h GLU 11 N 4.56 0.56 0.00 2.72 4.81 -1.91 -1.34 114.58 123.97 3ca9 h GLU 11 Ca -0.49 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3ca9 h GLU 11 Cb 1.17 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3ca9 h GLU 11 CO 0.55 0.37 -0.00 1.03 -0.73 0.00 0.00 179.01 180.22 3ca9 h SER 12 N 0.58 0.00 -3.52 1.04 0.87 -1.95 -3.45 113.55 107.11 3ca9 h SER 12 Ca 0.21 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.22 3ca9 h SER 12 Cb 0.12 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 62.27 3ca9 h SER 12 CO -0.05 0.00 -0.17 0.00 -0.53 0.00 0.00 176.83 176.08 3ca9 n ALA 13 N -2.15 -1.04 -2.92 6.23 0.00 -0.51 -4.91 120.51 115.22 3ca9 n ALA 13 Ca -0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 3ca9 n ALA 13 Cb 0.09 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.40 3ca9 n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ca9 s THR 14 N -1.95 2.39 0.06 0.00 2.01 -1.26 -5.05 115.64 111.83 3ca9 s THR 14 Ca 0.68 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 3ca9 s THR 14 Cb -0.33 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.20 3ca9 s THR 14 CO 0.56 0.56 1.37 -0.89 -0.69 0.00 0.00 174.62 175.53 3ca9 s THR 15 N 0.03 3.58 0.41 -0.82 2.01 -1.26 -4.79 115.64 114.79 3ca9 s THR 15 Ca -0.08 1.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.73 3ca9 s THR 15 Cb -0.15 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 3ca9 s THR 15 CO 0.05 0.05 1.34 -2.65 -0.69 0.00 0.00 174.62 172.72 3ca9 n PRO 16 N 4.58 2.15 -3.68 4.92 -0.02 -1.26 -4.95 135.00 136.74 3ca9 n PRO 16 Ca 0.12 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 3ca9 n PRO 16 Cb 0.43 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 3ca9 n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ca9 s MET 17 N -2.19 0.64 0.35 -0.52 1.75 -1.20 -4.83 119.30 113.30 3ca9 s MET 17 Ca 0.59 0.79 -0.27 0.00 -1.25 0.00 0.00 55.69 55.55 3ca9 s MET 17 Cb -0.50 0.30 -0.09 0.00 2.84 0.00 0.00 34.83 37.38 3ca9 s MET 17 CO 0.59 -0.08 1.12 1.03 -0.65 0.00 0.00 175.02 177.03 3ca9 s ARG 18 N 0.39 4.32 -0.01 4.11 0.52 -1.26 0.26 118.95 127.28 3ca9 s ARG 18 Ca -0.01 1.77 0.19 0.00 -0.52 0.00 0.00 55.73 57.17 3ca9 s ARG 18 Cb -0.04 -2.86 0.57 0.00 0.52 0.00 0.00 34.95 33.14 3ca9 s ARG 18 CO -0.00 -0.07 1.48 0.41 0.02 0.00 0.00 175.30 177.14 3ca9 n GLY 19 N 0.78 2.05 3.62 -3.53 0.00 -1.26 -4.91 105.19 101.94 3ca9 n GLY 19 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3ca9 n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca9 s SER 20 N -0.98 -0.39 0.24 1.61 0.01 -1.26 -4.95 113.70 107.97 3ca9 s SER 20 Ca 0.43 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.46 3ca9 s SER 20 Cb 0.23 0.60 0.27 0.00 0.21 0.00 0.00 66.02 67.33 3ca9 s SER 20 CO 0.29 -1.05 1.60 -0.33 0.41 0.00 0.00 173.24 174.15 3ca9 h GLU 21 N 2.00 0.40 -0.11 12.44 4.39 -2.03 -3.06 114.58 128.62 3ca9 h GLU 21 Ca -0.26 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3ca9 h GLU 21 Cb 1.27 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3ca9 h GLU 21 CO 0.31 0.80 0.00 0.41 -1.16 0.00 0.00 179.01 179.36 3ca9 n GLY 22 N 0.06 0.82 3.76 -3.84 0.00 -1.26 -4.97 105.19 99.76 3ca9 n GLY 22 Ca -0.02 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3ca9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca9 s ALA 23 N -1.89 3.06 -0.07 4.61 0.00 -1.16 -4.95 121.76 121.37 3ca9 s ALA 23 Ca 0.33 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 3ca9 s ALA 23 Cb 0.21 -3.56 -0.27 0.00 0.00 0.00 0.00 23.12 19.50 3ca9 s ALA 23 CO 0.31 -1.19 0.57 0.00 0.00 0.00 0.00 175.76 175.45 3ca9 h ALA 24 N 2.01 0.41 -1.76 0.00 0.00 -1.93 -3.47 119.26 114.52 3ca9 h ALA 24 Ca -0.51 -1.30 -0.56 0.00 0.00 0.00 0.00 54.91 52.54 3ca9 h ALA 24 Cb 1.28 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 3ca9 h ALA 24 CO 0.60 1.28 -0.53 0.20 0.00 0.00 0.00 179.25 180.79 3ca9 s GLY 25 N -5.29 2.13 -0.19 0.00 0.00 -1.26 -4.57 107.32 98.14 3ca9 s GLY 25 Ca -0.15 -1.96 -0.13 0.00 0.00 0.00 0.00 44.72 42.47 3ca9 s GLY 25 CO 0.81 -1.84 0.26 -0.19 0.00 0.00 0.00 173.10 172.15 3ca9 s TYR 26 N -2.51 3.40 0.56 1.90 1.51 0.99 -4.22 117.35 118.97 3ca9 s TYR 26 Ca 0.39 0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 56.73 3ca9 s TYR 26 Cb 0.00 -2.34 -0.06 0.00 -0.11 0.00 0.00 41.96 39.45 3ca9 s TYR 26 CO 0.22 0.15 1.02 -0.25 -1.11 0.00 0.00 175.55 175.58 3ca9 n ASP 27 N 3.94 1.12 -3.84 2.29 8.00 0.14 -0.42 116.55 127.78 3ca9 n ASP 27 Ca -0.12 0.88 -0.26 0.00 0.71 0.00 0.00 54.79 55.99 3ca9 n ASP 27 Cb 0.52 -1.41 -0.17 0.00 -0.02 0.00 0.00 41.12 40.04 3ca9 n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ca9 s ILE 28 N -1.44 0.80 0.29 0.53 1.01 -0.40 -3.26 121.20 118.73 3ca9 s ILE 28 Ca 0.72 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.09 3ca9 s ILE 28 Cb -0.44 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3ca9 s ILE 28 CO 0.50 0.16 0.36 -0.44 0.00 0.00 0.00 174.94 175.51 3ca9 s SER 29 N 1.78 5.88 0.45 3.58 0.01 -1.26 -0.25 113.70 123.89 3ca9 s SER 29 Ca 0.02 -0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.04 3ca9 s SER 29 Cb -0.14 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 3ca9 s SER 29 CO -0.07 -0.24 0.76 -0.55 0.41 0.00 0.00 173.24 173.55 3ca9 s SER 30 N -4.03 6.35 -0.01 2.44 0.15 0.95 -4.62 113.70 114.93 3ca9 s SER 30 Ca 0.39 0.97 0.02 0.00 0.70 0.00 0.00 55.95 58.03 3ca9 s SER 30 Cb -0.08 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 61.99 3ca9 s SER 30 CO 0.29 -0.50 1.01 0.55 1.20 0.00 0.00 173.24 175.79 3ca9 n VAL 31 N -1.89 1.08 -3.94 4.45 3.14 -1.05 -1.21 118.33 118.91 3ca9 n VAL 31 Ca 0.01 -1.11 -0.09 0.00 -2.96 0.00 0.00 64.34 60.18 3ca9 n VAL 31 Cb 0.55 0.43 -0.06 0.00 -1.06 0.00 0.00 33.84 33.70 3ca9 n VAL 31 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3ca9 s GLU 32 N -1.17 1.32 -0.42 1.45 -1.05 -1.26 -4.89 118.70 112.68 3ca9 s GLU 32 Ca 0.03 -1.15 -0.15 0.00 -0.15 0.00 0.00 54.97 53.54 3ca9 s GLU 32 Cb 0.03 0.43 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 3ca9 s GLU 32 CO 0.00 -0.52 0.34 -0.51 0.95 0.00 0.00 175.26 175.52 3ca9 s ASP 33 N -2.97 6.13 0.20 0.83 -0.00 -1.26 -3.16 116.67 116.43 3ca9 s ASP 33 Ca 0.18 -0.93 0.01 0.00 -0.00 0.00 0.00 52.55 51.82 3ca9 s ASP 33 Cb 0.01 -2.17 -0.05 0.00 -0.00 0.00 0.00 42.92 40.71 3ca9 s ASP 33 CO 0.03 -0.50 0.04 0.68 -0.00 0.00 0.00 175.17 175.42 3ca9 s VAL 34 N 1.75 0.56 -0.13 -1.27 -7.23 -0.07 -4.98 120.40 109.02 3ca9 s VAL 34 Ca 0.06 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3ca9 s VAL 34 Cb -0.19 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.47 3ca9 s VAL 34 CO 0.10 -0.31 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.69 3ca9 s VAL 35 N -3.75 1.95 -0.53 1.32 1.01 -1.26 -0.04 120.40 119.11 3ca9 s VAL 35 Ca 0.29 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 3ca9 s VAL 35 Cb 0.07 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.77 3ca9 s VAL 35 CO 0.07 0.53 0.78 -0.69 0.00 0.00 0.00 175.10 175.79 3ca9 s VAL 36 N 0.82 4.63 0.25 2.92 1.01 0.33 -4.91 120.40 125.45 3ca9 s VAL 36 Ca -0.08 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3ca9 s VAL 36 Cb -0.16 -4.41 -0.14 0.00 0.00 0.00 0.00 36.38 31.67 3ca9 s VAL 36 CO -0.01 -0.95 1.12 -2.65 0.00 0.00 0.00 175.10 172.61 3ca9 n PRO 37 N 6.82 1.40 -1.69 2.72 -0.02 -1.26 -1.32 135.00 141.65 3ca9 n PRO 37 Ca -0.02 0.49 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 3ca9 n PRO 37 Cb 0.47 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3ca9 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca9 n ALA 38 N 0.87 1.62 -1.26 3.55 0.00 -1.26 -0.34 120.51 123.68 3ca9 n ALA 38 Ca 0.11 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 3ca9 n ALA 38 Cb 0.30 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 3ca9 n ALA 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ca9 n MET 39 N 2.62 -1.64 -4.57 0.00 2.81 -0.19 -4.92 117.12 111.23 3ca9 n MET 39 Ca 0.13 0.82 -0.27 0.00 -1.81 0.00 0.00 57.70 56.57 3ca9 n MET 39 Cb 0.32 -5.12 -0.09 0.00 -0.71 0.00 0.00 33.22 27.63 3ca9 n MET 39 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ca9 s GLY 40 N -2.22 2.62 0.49 3.03 0.00 0.54 -4.89 107.32 106.89 3ca9 s GLY 40 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3ca9 s GLY 40 CO 0.00 -1.93 0.01 -0.96 0.00 0.00 0.00 173.10 170.22 3ca9 n ARG 41 N -0.97 0.80 -3.63 2.90 1.85 -1.26 -0.90 116.66 115.46 3ca9 n ARG 41 Ca -0.09 -3.57 -0.05 0.00 -1.00 0.00 0.00 57.85 53.15 3ca9 n ARG 41 Cb 0.66 1.00 -0.05 0.00 -1.05 0.00 0.00 32.46 33.02 3ca9 n ARG 41 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 3ca9 s ILE 42 N -2.79 0.00 -0.34 8.89 2.07 -0.91 -4.59 121.20 123.53 3ca9 s ILE 42 Ca 0.01 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.16 3ca9 s ILE 42 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 3ca9 s ILE 42 CO 0.01 0.00 0.14 0.00 -1.91 0.00 0.00 174.94 173.18 3ca9 s ALA 43 N -0.87 3.18 -0.16 1.50 0.00 -1.26 -0.92 121.76 123.22 3ca9 s ALA 43 Ca 0.06 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 3ca9 s ALA 43 Cb -0.01 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 3ca9 s ALA 43 CO -0.06 -1.17 0.58 0.08 0.00 0.00 0.00 175.76 175.18 3ca9 s VAL 44 N 1.52 5.08 0.30 0.00 1.01 0.11 -4.81 120.40 123.61 3ca9 s VAL 44 Ca 0.02 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 3ca9 s VAL 44 Cb -0.18 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3ca9 s VAL 44 CO 0.05 0.20 1.22 -0.44 0.00 0.00 0.00 175.10 176.12 3ca9 s SER 45 N 0.99 6.99 -0.02 3.32 0.01 -1.26 -0.84 113.70 122.89 3ca9 s SER 45 Ca 0.28 2.49 0.19 0.00 1.31 0.00 0.00 55.95 60.23 3ca9 s SER 45 Cb -0.16 -2.64 -0.27 0.00 0.21 0.00 0.00 66.02 63.17 3ca9 s SER 45 CO 0.11 -0.37 0.54 0.35 0.41 0.00 0.00 173.24 174.29 3ca9 n THR 46 N 1.07 0.00 -1.16 1.44 -2.24 -1.01 -2.54 114.28 109.84 3ca9 n THR 46 Ca -0.00 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 3ca9 n THR 46 Cb 0.43 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 3ca9 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca9 n GLY 47 N 1.42 0.79 3.08 3.38 0.00 -1.26 -4.51 105.19 108.09 3ca9 n GLY 47 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 3ca9 n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ca9 s ILE 48 N -2.08 0.33 0.14 -0.61 -4.36 -1.26 0.52 121.20 113.88 3ca9 s ILE 48 Ca 0.00 -1.55 0.10 0.00 -0.26 0.00 0.00 60.65 58.94 3ca9 s ILE 48 Cb 0.00 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 3ca9 s ILE 48 CO 0.00 -0.79 -0.22 -0.55 0.24 0.00 0.00 174.94 173.62 3ca9 s SER 49 N -2.47 3.63 0.05 4.36 0.15 -0.76 -0.35 113.70 118.31 3ca9 s SER 49 Ca 0.01 -0.68 0.01 0.00 0.70 0.00 0.00 55.95 55.99 3ca9 s SER 49 Cb 0.01 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 3ca9 s SER 49 CO -0.06 0.17 -0.05 0.27 1.20 0.00 0.00 173.24 174.77 3ca9 s ILE 50 N -1.22 0.37 -0.29 6.45 -4.36 -1.26 -1.75 121.20 119.15 3ca9 s ILE 50 Ca 0.17 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 3ca9 s ILE 50 Cb -0.10 -0.85 0.08 0.00 1.25 0.00 0.00 42.46 42.84 3ca9 s ILE 50 CO 0.09 -0.62 0.03 -0.60 0.24 0.00 0.00 174.94 174.08 3ca9 s ARG 51 N -2.36 1.29 0.66 0.37 3.00 -0.16 -4.74 118.95 117.00 3ca9 s ARG 51 Ca -0.05 -1.27 -0.15 0.00 -1.00 0.00 0.00 55.73 53.25 3ca9 s ARG 51 Cb -0.04 -2.58 -0.00 0.00 0.00 0.00 0.00 34.95 32.32 3ca9 s ARG 51 CO -0.03 -0.82 1.12 0.08 0.00 0.00 0.00 175.30 175.65 3ca9 s VAL 52 N 1.32 3.15 0.69 7.11 1.01 -1.26 -2.30 120.40 130.12 3ca9 s VAL 52 Ca 0.04 0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 3ca9 s VAL 52 Cb -0.18 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3ca9 s VAL 52 CO -0.13 -0.31 1.16 -2.84 0.00 0.00 0.00 175.10 172.98 3ca9 s PRO 53 N -4.01 2.46 0.62 2.72 0.02 -1.26 -4.93 135.00 130.62 3ca9 s PRO 53 Ca 0.68 1.60 -0.18 0.00 0.02 0.00 0.00 61.00 63.12 3ca9 s PRO 53 Cb -0.22 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 3ca9 s PRO 53 CO 0.41 -1.55 1.23 0.34 -0.33 0.00 0.00 177.00 177.09 3ca9 s ASP 54 N -2.25 4.96 0.00 2.53 2.15 -1.26 -2.87 116.67 119.94 3ca9 s ASP 54 Ca 0.71 2.45 0.00 0.00 0.43 0.00 0.00 52.55 56.14 3ca9 s ASP 54 Cb -0.25 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 3ca9 s ASP 54 CO 0.43 -1.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 3ca9 n GLY 55 N 0.60 0.82 3.35 2.66 0.00 -1.26 -5.02 105.19 106.34 3ca9 n GLY 55 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ca9 n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ca9 s THR 56 N -3.16 0.00 0.22 2.61 -4.23 -1.14 -1.84 115.64 108.10 3ca9 s THR 56 Ca 0.00 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 3ca9 s THR 56 Cb 0.00 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 3ca9 s THR 56 CO 0.00 0.00 0.01 -0.72 -0.54 0.00 0.00 174.62 173.37 3ca9 s TYR 57 N -3.91 1.45 -0.35 3.99 1.13 -0.56 -4.60 117.35 114.50 3ca9 s TYR 57 Ca 0.34 -0.99 -0.09 0.00 -1.41 0.00 0.00 57.07 54.92 3ca9 s TYR 57 Cb 0.04 -0.84 0.03 0.00 -1.10 0.00 0.00 41.96 40.08 3ca9 s TYR 57 CO 0.14 -0.13 0.17 0.20 -2.51 0.00 0.00 175.55 173.41 3ca9 s GLY 58 N -3.27 1.89 -0.24 5.49 0.00 -0.86 -1.67 107.32 108.67 3ca9 s GLY 58 Ca 0.28 -1.67 -0.14 0.00 0.00 0.00 0.00 44.72 43.20 3ca9 s GLY 58 CO 0.08 0.80 0.31 -1.60 0.00 0.00 0.00 173.10 172.68 3ca9 s ARG 59 N 1.52 4.08 -0.57 2.90 3.52 -0.51 -1.09 118.95 128.79 3ca9 s ARG 59 Ca 0.01 -0.02 -0.26 0.00 -0.13 0.00 0.00 55.73 55.34 3ca9 s ARG 59 Cb -0.19 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3ca9 s ARG 59 CO 0.05 -0.09 1.04 0.42 -0.81 0.00 0.00 175.30 175.91 3ca9 s ILE 60 N 1.50 4.23 0.19 4.11 1.01 0.17 -1.71 121.20 130.70 3ca9 s ILE 60 Ca 0.14 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.29 3ca9 s ILE 60 Cb -0.15 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 3ca9 s ILE 60 CO 0.08 -1.24 0.31 0.00 0.00 0.00 0.00 174.94 174.09 3ca9 s ALA 61 N 4.37 3.93 0.35 9.38 0.00 -0.20 -4.70 121.76 134.90 3ca9 s ALA 61 Ca 0.34 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 3ca9 s ALA 61 Cb -0.11 -1.74 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 3ca9 s ALA 61 CO 0.21 0.41 1.00 -1.25 0.00 0.00 0.00 175.76 176.13 3ca9 s PRO 62 N -3.54 4.41 0.12 0.00 0.04 -1.26 -1.80 135.00 132.97 3ca9 s PRO 62 Ca 0.34 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 3ca9 s PRO 62 Cb -0.10 -2.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3ca9 s PRO 62 CO 0.28 0.10 0.97 1.03 0.04 0.00 0.00 177.00 179.43 3ca9 s ARG 63 N -2.22 4.69 0.19 4.56 0.52 -1.26 -4.83 118.95 120.61 3ca9 s ARG 63 Ca 0.53 1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 57.10 3ca9 s ARG 63 Cb -0.21 -3.37 0.21 0.00 0.52 0.00 0.00 34.95 32.11 3ca9 s ARG 63 CO 0.26 0.20 1.73 0.77 0.02 0.00 0.00 175.30 178.28 3ca9 h SER 64 N 5.54 0.09 0.00 0.23 0.02 -1.98 -2.38 113.55 115.07 3ca9 h SER 64 Ca -0.43 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3ca9 h SER 64 Cb 1.21 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3ca9 h SER 64 CO 0.72 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 3ca9 n GLY 65 N -1.28 -2.85 0.42 -3.77 0.00 -1.26 -1.04 105.19 95.41 3ca9 n GLY 65 Ca 0.06 0.25 0.27 0.00 0.00 0.00 0.00 46.02 46.61 3ca9 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ca9 h LEU 66 N 0.00 0.40 0.20 0.99 4.07 -1.91 0.11 115.31 119.16 3ca9 h LEU 66 Ca 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3ca9 h LEU 66 Cb 0.00 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3ca9 h LEU 66 CO 0.00 -0.01 -0.10 0.00 -1.08 0.00 0.00 178.44 177.25 3ca9 h ALA 67 N 1.64 -0.27 0.33 1.53 0.00 -1.22 -1.24 119.26 120.03 3ca9 h ALA 67 Ca 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 3ca9 h ALA 67 Cb 1.83 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3ca9 h ALA 67 CO -0.36 -0.50 -0.19 -0.92 0.00 0.00 0.00 179.25 177.28 3ca9 h TYR 68 N -0.57 -0.50 -0.49 0.00 3.20 0.85 -0.10 116.97 119.37 3ca9 h TYR 68 Ca -0.03 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 3ca9 h TYR 68 Cb 0.42 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3ca9 h TYR 68 CO 0.02 -0.29 -0.06 -0.22 -1.64 0.00 0.00 178.16 175.97 3ca9 h LYS 69 N -0.48 0.85 0.00 1.82 3.64 -1.18 -3.32 116.57 117.91 3ca9 h LYS 69 Ca -0.04 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3ca9 h LYS 69 Cb 0.38 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3ca9 h LYS 69 CO 0.06 0.89 -0.00 0.66 -2.27 0.00 0.00 179.45 178.79 3ca9 n TYR 70 N -4.18 0.00 -3.97 1.91 4.02 -0.53 -4.98 117.16 109.43 3ca9 n TYR 70 Ca 0.02 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.90 56.84 3ca9 n TYR 70 Cb 0.35 -0.10 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3ca9 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ca9 n GLY 71 N -0.97 -0.48 3.73 2.72 0.00 -0.05 -4.40 105.19 105.75 3ca9 n GLY 71 Ca 0.08 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3ca9 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ca9 s ILE 72 N -3.24 5.14 0.26 -0.61 -1.09 -0.82 -1.40 121.20 119.45 3ca9 s ILE 72 Ca 0.67 1.04 0.08 0.00 -2.23 0.00 0.00 60.65 60.21 3ca9 s ILE 72 Cb -0.35 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 3ca9 s ILE 72 CO 0.82 0.34 -0.11 -0.62 -1.23 0.00 0.00 174.94 174.14 3ca9 s ASP 73 N 0.49 2.94 -0.22 3.58 3.68 -0.63 -3.66 116.67 122.86 3ca9 s ASP 73 Ca 0.28 -1.12 -0.04 0.00 2.13 0.00 0.00 52.55 53.80 3ca9 s ASP 73 Cb -0.16 -0.20 -0.01 0.00 -1.45 0.00 0.00 42.92 41.10 3ca9 s ASP 73 CO 0.12 -0.22 -0.03 -0.69 0.13 0.00 0.00 175.17 174.48 3ca9 s VAL 74 N -2.88 3.53 0.50 1.11 1.01 -1.26 -0.08 120.40 122.33 3ca9 s VAL 74 Ca 0.28 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3ca9 s VAL 74 Cb 0.01 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3ca9 s VAL 74 CO 0.11 0.42 0.73 -0.76 0.00 0.00 0.00 175.10 175.60 3ca9 s LEU 75 N 1.41 3.47 0.00 3.92 1.43 -0.05 -4.86 118.68 124.01 3ca9 s LEU 75 Ca 0.05 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3ca9 s LEU 75 Cb -0.14 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.98 3ca9 s LEU 75 CO -0.02 -0.89 0.00 0.00 0.23 0.00 0.00 176.35 175.67 3ca9 n ALA 76 N -2.23 0.00 -0.81 4.21 0.00 -1.26 -4.48 120.51 115.94 3ca9 n ALA 76 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ca9 n ALA 76 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3ca9 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ca9 n GLY 77 N 0.00 0.56 3.30 0.00 0.00 -1.26 -4.89 105.19 102.91 3ca9 n GLY 77 Ca 0.00 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3ca9 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ca9 s VAL 78 N -2.00 4.31 -0.40 1.61 1.01 -1.26 0.44 120.40 124.11 3ca9 s VAL 78 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 3ca9 s VAL 78 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.87 3ca9 s VAL 78 CO 0.00 -0.39 0.25 -0.63 0.00 0.00 0.00 175.10 174.32 3ca9 s ILE 79 N 1.47 4.74 0.51 2.22 1.01 -0.25 -5.01 121.20 125.88 3ca9 s ILE 79 Ca 0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 3ca9 s ILE 79 Cb -0.21 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3ca9 s ILE 79 CO 0.04 -0.31 1.17 -1.81 0.00 0.00 0.00 174.94 174.03 3ca9 s ASP 80 N 1.72 5.85 0.60 3.58 1.11 -1.26 -2.02 116.67 126.24 3ca9 s ASP 80 Ca 0.03 2.31 0.30 0.00 0.18 0.00 0.00 52.55 55.37 3ca9 s ASP 80 Cb -0.20 -2.60 1.80 0.00 1.07 0.00 0.00 42.92 42.99 3ca9 s ASP 80 CO 0.07 -1.14 2.19 -0.08 1.18 0.00 0.00 175.17 177.39 3ca9 h GLU 81 N 1.60 0.00 -0.78 8.23 4.22 -1.93 -0.19 114.58 125.72 3ca9 h GLU 81 Ca -0.50 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 58.74 3ca9 h GLU 81 Cb 1.26 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.39 3ca9 h GLU 81 CO 0.58 0.00 0.26 -0.40 -2.18 0.00 0.00 179.01 177.27 3ca9 n ASP 82 N -3.75 4.61 -4.63 1.04 5.75 -1.26 -4.53 116.55 113.78 3ca9 n ASP 82 Ca -0.01 -3.11 -0.39 0.00 -0.01 0.00 0.00 54.79 51.27 3ca9 n ASP 82 Cb 0.19 -0.73 -0.08 0.00 -1.03 0.00 0.00 41.12 39.47 3ca9 n ASP 82 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3ca9 s TYR 83 N -2.76 3.30 -0.97 2.11 5.04 -0.09 -4.92 117.35 119.06 3ca9 s TYR 83 Ca 0.50 0.60 0.11 0.00 -2.44 0.00 0.00 57.07 55.85 3ca9 s TYR 83 Cb 0.40 -2.65 -0.02 0.00 0.35 0.00 0.00 41.96 40.04 3ca9 s TYR 83 CO 0.12 -0.20 0.65 -2.37 -1.34 0.00 0.00 175.55 172.42 3ca9 n THR 84 N 4.92 0.00 -0.39 4.34 5.66 -1.26 -4.59 114.28 122.95 3ca9 n THR 84 Ca -0.06 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 3ca9 n THR 84 Cb 0.50 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 3ca9 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ca9 n GLY 85 N 1.00 -1.31 3.80 1.09 0.00 -1.26 -4.86 105.19 103.65 3ca9 n GLY 85 Ca 0.04 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3ca9 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ca9 s GLU 86 N -1.38 4.20 -0.18 1.61 2.12 -1.26 -4.38 118.70 119.42 3ca9 s GLU 86 Ca 0.00 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.70 3ca9 s GLU 86 Cb 0.00 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3ca9 s GLU 86 CO 0.00 0.54 1.47 0.08 -0.54 0.00 0.00 175.26 176.81 3ca9 s VAL 87 N -0.74 3.91 -0.09 3.70 1.01 0.52 -4.98 120.40 123.74 3ca9 s VAL 87 Ca 0.28 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3ca9 s VAL 87 Cb -0.18 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3ca9 s VAL 87 CO 0.17 -0.22 -0.01 -0.75 0.00 0.00 0.00 175.10 174.29 3ca9 s LYS 88 N 4.11 2.98 -0.28 2.72 2.47 -1.26 -2.41 119.74 128.08 3ca9 s LYS 88 Ca 0.65 -0.43 -0.01 0.00 -1.56 0.00 0.00 55.97 54.61 3ca9 s LYS 88 Cb -0.25 -2.77 0.04 0.00 -1.46 0.00 0.00 37.83 33.39 3ca9 s LYS 88 CO 0.24 0.68 -0.03 0.08 0.16 0.00 0.00 175.35 176.48 3ca9 s VAL 89 N -0.82 2.90 -0.51 4.02 1.01 -0.02 -4.90 120.40 122.08 3ca9 s VAL 89 Ca 0.12 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 3ca9 s VAL 89 Cb -0.11 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3ca9 s VAL 89 CO 0.02 0.01 0.83 -0.63 0.00 0.00 0.00 175.10 175.34 3ca9 s ILE 90 N 1.27 4.56 0.02 2.22 1.01 -1.26 0.07 121.20 129.09 3ca9 s ILE 90 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 3ca9 s ILE 90 Cb -0.19 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 3ca9 s ILE 90 CO -0.03 -0.93 0.21 -0.76 0.00 0.00 0.00 174.94 173.44 3ca9 s LEU 91 N 3.49 4.36 -0.14 2.97 1.43 -0.10 -0.87 118.68 129.83 3ca9 s LEU 91 Ca 0.27 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3ca9 s LEU 91 Cb -0.14 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3ca9 s LEU 91 CO 0.19 0.23 -0.13 -0.47 0.23 0.00 0.00 176.35 176.40 3ca9 s TYR 92 N -1.39 2.01 -0.46 0.29 6.14 0.88 -2.15 117.35 122.67 3ca9 s TYR 92 Ca 0.30 -1.08 -0.27 0.00 0.64 0.00 0.00 57.07 56.66 3ca9 s TYR 92 Cb -0.13 -1.50 0.03 0.00 0.42 0.00 0.00 41.96 40.78 3ca9 s TYR 92 CO 0.21 -0.61 1.04 1.21 0.64 0.00 0.00 175.55 178.04 3ca9 s ASN 93 N 1.44 6.59 0.38 4.32 3.84 -0.08 -1.60 114.94 129.84 3ca9 s ASN 93 Ca 0.03 0.35 0.22 0.00 0.21 0.00 0.00 52.86 53.67 3ca9 s ASN 93 Cb -0.13 -2.50 0.26 0.00 -0.55 0.00 0.00 41.25 38.32 3ca9 s ASN 93 CO -0.09 -1.14 1.51 0.74 -2.79 0.00 0.00 177.10 175.33 3ca9 h THR 94 N 6.13 0.12 -3.71 -5.21 2.02 -1.48 -0.48 112.91 110.30 3ca9 h THR 94 Ca -0.23 -1.17 -0.46 0.00 0.77 0.00 0.00 66.41 65.32 3ca9 h THR 94 Cb 1.07 1.99 0.09 0.00 -1.74 0.00 0.00 68.15 69.56 3ca9 h THR 94 CO 1.08 0.07 0.24 0.42 0.37 0.00 0.00 175.52 177.70 3ca9 s THR 95 N -3.19 2.23 -1.27 3.16 -4.23 -1.26 -4.74 115.64 106.34 3ca9 s THR 95 Ca 0.06 -0.26 0.28 0.00 -1.18 0.00 0.00 61.69 60.59 3ca9 s THR 95 Cb 0.06 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.23 3ca9 s THR 95 CO 0.70 0.00 1.82 -0.62 -0.54 0.00 0.00 174.62 175.98 3ca9 n GLU 96 N -3.00 0.28 -5.00 3.99 -0.58 -1.26 -2.42 120.64 112.66 3ca9 n GLU 96 Ca 0.09 -0.08 -0.28 0.00 -0.42 0.00 0.00 57.16 56.48 3ca9 n GLU 96 Cb 0.60 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.82 3ca9 n GLU 96 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3ca9 s ARG 97 N -2.77 1.89 1.01 3.49 1.70 -1.26 -4.84 118.95 118.17 3ca9 s ARG 97 Ca 0.20 -0.73 -0.17 0.00 -0.47 0.00 0.00 55.73 54.57 3ca9 s ARG 97 Cb 0.19 -1.71 -0.01 0.00 -0.57 0.00 0.00 34.95 32.85 3ca9 s ARG 97 CO 0.54 0.36 -0.17 -0.25 -1.08 0.00 0.00 175.30 174.70 3ca9 n ASP 98 N 2.85 -3.10 -3.93 -2.89 10.43 -1.26 -4.57 116.55 114.08 3ca9 n ASP 98 Ca -0.17 0.15 -0.24 0.00 2.57 0.00 0.00 54.79 57.10 3ca9 n ASP 98 Cb 0.53 -0.97 -0.17 0.00 1.84 0.00 0.00 41.12 42.35 3ca9 n ASP 98 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3ca9 s TYR 99 N -2.23 1.27 0.08 1.24 6.04 -0.43 -4.91 117.35 118.41 3ca9 s TYR 99 Ca 0.51 -0.53 -0.19 0.00 0.04 0.00 0.00 57.07 56.90 3ca9 s TYR 99 Cb -0.15 -1.04 -0.07 0.00 -1.04 0.00 0.00 41.96 39.67 3ca9 s TYR 99 CO 0.70 -0.36 0.57 0.96 -1.54 0.00 0.00 175.55 175.89 3ca9 s ILE 100 N 1.25 4.73 -0.17 3.14 -0.00 -1.26 -0.52 121.20 128.36 3ca9 s ILE 100 Ca -0.04 1.23 -0.01 0.00 -0.00 0.00 0.00 60.65 61.82 3ca9 s ILE 100 Cb -0.14 -3.90 0.05 0.00 -0.00 0.00 0.00 42.46 38.47 3ca9 s ILE 100 CO -0.03 0.55 -0.03 -0.63 -0.00 0.00 0.00 174.94 174.81 3ca9 s ILE 101 N -1.12 0.97 0.25 8.37 1.01 0.94 -4.97 121.20 126.65 3ca9 s ILE 101 Ca 0.29 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3ca9 s ILE 101 Cb -0.20 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 3ca9 s ILE 101 CO 0.19 0.02 0.54 -0.54 0.00 0.00 0.00 174.94 175.16 3ca9 s LYS 102 N 1.68 3.73 0.73 2.79 -0.14 -1.26 -0.89 119.74 126.38 3ca9 s LYS 102 Ca -0.00 0.17 -0.16 0.00 -1.36 0.00 0.00 55.97 54.62 3ca9 s LYS 102 Cb -0.16 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 3ca9 s LYS 102 CO -0.07 0.28 0.50 1.63 -0.76 0.00 0.00 175.35 176.93 3ca9 n LYS 103 N -0.40 0.26 0.00 1.68 5.02 -1.19 -2.27 118.16 121.26 3ca9 n LYS 103 Ca -0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3ca9 n LYS 103 Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3ca9 n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ca9 n GLY 104 N 1.68 2.88 3.76 0.72 0.00 -0.35 -4.95 105.19 108.93 3ca9 n GLY 104 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3ca9 n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ca9 s ASP 105 N -0.56 5.67 -0.52 1.61 1.01 -0.96 -4.48 116.67 118.44 3ca9 s ASP 105 Ca 0.00 2.87 -0.27 0.00 0.71 0.00 0.00 52.55 55.86 3ca9 s ASP 105 Cb 0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3ca9 s ASP 105 CO 0.00 -1.31 1.06 -0.13 0.21 0.00 0.00 175.17 175.00 3ca9 s ARG 106 N -2.61 3.54 0.00 8.23 0.52 -1.26 -0.04 118.95 127.33 3ca9 s ARG 106 Ca 0.65 0.21 0.20 0.00 -0.52 0.00 0.00 55.73 56.27 3ca9 s ARG 106 Cb -0.43 -3.97 -0.00 0.00 0.52 0.00 0.00 34.95 31.07 3ca9 s ARG 106 CO 0.53 -1.45 1.01 0.44 0.02 0.00 0.00 175.30 175.86 3ca9 n ILE 107 N 6.56 0.00 -3.86 1.52 -5.35 0.65 -4.94 119.36 113.94 3ca9 n ILE 107 Ca 0.07 -0.29 0.01 0.00 -0.27 0.00 0.00 62.75 62.27 3ca9 n ILE 107 Cb 0.49 1.24 0.01 0.00 -1.74 0.00 0.00 39.64 39.64 3ca9 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ca9 n ALA 108 N -0.00 -1.65 -3.04 -1.28 0.00 -1.08 -4.72 120.51 108.74 3ca9 n ALA 108 Ca 0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 3ca9 n ALA 108 Cb 0.43 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 3ca9 n ALA 108 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ca9 s GLN 109 N -2.01 0.31 -0.17 0.00 -2.07 -0.75 -1.28 119.66 113.69 3ca9 s GLN 109 Ca 0.14 -0.15 -0.14 0.00 -1.82 0.00 0.00 55.36 53.39 3ca9 s GLN 109 Cb -0.01 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.00 3ca9 s GLN 109 CO 0.00 -0.06 0.28 -1.17 -1.32 0.00 0.00 175.29 173.03 3ca9 s LEU 110 N -0.70 4.23 -0.14 2.60 2.96 0.44 -1.03 118.68 127.03 3ca9 s LEU 110 Ca -0.08 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3ca9 s LEU 110 Cb -0.05 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.31 3ca9 s LEU 110 CO 0.01 0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.32 3ca9 s ILE 111 N 0.54 1.80 -1.02 6.68 1.01 -0.69 -0.00 121.20 129.50 3ca9 s ILE 111 Ca 0.16 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 3ca9 s ILE 111 Cb -0.13 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.80 3ca9 s ILE 111 CO 0.04 0.50 1.38 -0.76 0.00 0.00 0.00 174.94 176.09 3ca9 s LEU 112 N 1.09 4.07 -0.15 2.97 1.43 -1.26 -1.43 118.68 125.41 3ca9 s LEU 112 Ca -0.02 -1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 51.08 3ca9 s LEU 112 Cb -0.14 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3ca9 s LEU 112 CO -0.06 -1.31 0.65 -1.61 0.23 0.00 0.00 176.35 174.25 3ca9 s GLU 113 N 4.06 4.30 -0.15 1.70 2.02 -0.67 -4.88 118.70 125.09 3ca9 s GLU 113 Ca 0.42 0.71 -0.29 0.00 0.02 0.00 0.00 54.97 55.83 3ca9 s GLU 113 Cb -0.01 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 3ca9 s GLU 113 CO -0.08 -0.11 1.41 -0.65 0.02 0.00 0.00 175.26 175.85 3ca9 s GLN 114 N 1.45 4.15 0.38 1.61 -0.21 -1.26 -1.49 119.66 124.28 3ca9 s GLN 114 Ca 0.32 1.77 0.06 0.00 0.02 0.00 0.00 55.36 57.53 3ca9 s GLN 114 Cb -0.16 -3.86 -0.07 0.00 1.00 0.00 0.00 33.01 29.91 3ca9 s GLN 114 CO 0.13 -0.84 0.01 0.96 -2.12 0.00 0.00 175.29 173.42 3ca9 s ILE 115 N 3.90 1.81 -0.04 1.08 -4.36 -0.77 -4.98 121.20 117.84 3ca9 s ILE 115 Ca 0.62 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3ca9 s ILE 115 Cb -0.25 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.55 3ca9 s ILE 115 CO 0.21 -0.03 -0.25 0.54 0.24 0.00 0.00 174.94 175.65 3ca9 s VAL 116 N -2.85 2.01 -0.52 8.37 0.11 -1.26 -4.61 120.40 121.65 3ca9 s VAL 116 Ca 0.35 -1.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 3ca9 s VAL 116 Cb 0.09 -1.69 0.34 0.00 -1.53 0.00 0.00 36.38 33.59 3ca9 s VAL 116 CO 0.17 0.56 0.89 1.07 -3.33 0.00 0.00 175.10 174.46 3ca9 n THR 117 N 2.75 2.18 -0.31 5.04 5.66 -1.26 -5.08 114.28 123.27 3ca9 n THR 117 Ca -0.17 -5.31 0.00 0.00 -3.05 0.00 0.00 64.05 55.52 3ca9 n THR 117 Cb 0.52 -1.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 3ca9 n THR 117 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3ca9 n PRO 118 N -0.08 -0.42 -3.47 1.09 -0.04 -1.26 -5.07 135.00 125.75 3ca9 n PRO 118 Ca 0.29 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 3ca9 n PRO 118 Cb 0.46 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.90 3ca9 n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ca9 s GLY 119 N -1.98 2.02 -0.33 0.55 0.00 -1.26 -5.08 107.32 101.23 3ca9 s GLY 119 Ca 0.00 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 42.78 3ca9 s GLY 119 CO 0.00 -1.62 0.40 0.14 0.00 0.00 0.00 173.10 172.02 3ca9 s VAL 120 N -2.41 5.14 -0.50 1.40 1.01 -1.26 -5.03 120.40 118.76 3ca9 s VAL 120 Ca 0.49 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 3ca9 s VAL 120 Cb -0.05 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.57 3ca9 s VAL 120 CO 0.29 -0.07 0.52 0.00 0.00 0.00 0.00 175.10 175.83 3ca9 s ALA 121 N 2.11 3.48 -0.24 5.51 0.00 -1.26 -5.03 121.76 126.33 3ca9 s ALA 121 Ca 0.14 -1.97 -0.27 0.00 0.00 0.00 0.00 51.96 49.86 3ca9 s ALA 121 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3ca9 s ALA 121 CO 0.12 -1.89 0.95 0.08 0.00 0.00 0.00 175.76 175.02 3ca9 s VAL 122 N 2.13 4.74 -0.40 0.00 1.01 -1.26 -5.00 120.40 121.62 3ca9 s VAL 122 Ca 0.09 1.83 -0.24 0.00 0.00 0.00 0.00 61.98 63.67 3ca9 s VAL 122 Cb -0.22 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.94 3ca9 s VAL 122 CO 0.09 -0.14 0.82 0.54 0.00 0.00 0.00 175.10 176.40 3ca9 s VAL 123 N 3.06 4.66 0.00 2.92 0.11 -1.26 -4.98 120.40 124.91 3ca9 s VAL 123 Ca 0.40 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 3ca9 s VAL 123 Cb -0.15 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 3ca9 s VAL 123 CO 0.07 -0.58 0.00 -0.11 -3.33 0.00 0.00 175.10 171.15 3ca9 n LEU 124 N 6.64 0.00 -0.41 2.54 7.94 -1.26 -5.36 117.00 127.09 3ca9 n LEU 124 Ca 0.04 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.08 3ca9 n LEU 124 Cb 0.48 0.00 0.58 0.00 0.53 0.00 0.00 43.42 45.02 3ca9 n LEU 124 CO 0.57 0.00 0.90 0.47 -1.11 0.00 0.00 177.39 178.22