#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a10 s SER 5 N 0.00 4.05 0.79 1.08 1.04 -1.26 -4.58 113.70 114.82 2a10 s SER 5 Ca 0.00 1.49 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 2a10 s SER 5 Cb 0.00 -2.20 0.07 0.00 0.10 0.00 0.00 66.02 63.99 2a10 s SER 5 CO 0.00 -2.27 1.12 0.00 0.98 0.00 0.00 173.24 173.07 2a10 s ALA 6 N -3.01 2.07 -0.03 5.32 0.00 -0.19 -4.49 121.76 121.43 2a10 s ALA 6 Ca 0.62 0.46 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2a10 s ALA 6 Cb -0.16 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2a10 s ALA 6 CO 0.56 -1.96 -0.21 0.54 0.00 0.00 0.00 175.76 174.69 2a10 s VAL 7 N -2.65 1.70 0.07 0.00 0.11 -0.61 -1.93 120.40 117.09 2a10 s VAL 7 Ca 0.65 -0.90 0.09 0.00 -2.93 0.00 0.00 61.98 58.88 2a10 s VAL 7 Cb -0.20 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2a10 s VAL 7 CO 0.53 0.48 -0.24 -0.83 -3.33 0.00 0.00 175.10 171.71 2a10 s GLY 8 N -0.37 1.32 -0.01 6.54 0.00 -0.56 -0.83 107.32 113.41 2a10 s GLY 8 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2a10 s GLY 8 CO 0.00 -1.17 -0.00 -0.45 0.00 0.00 0.00 173.10 171.48 2a10 s SER 9 N -1.48 0.20 0.02 1.64 0.15 -0.41 -0.95 113.70 112.86 2a10 s SER 9 Ca 0.10 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.75 2a10 s SER 9 Cb -0.10 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2a10 s SER 9 CO 0.03 -0.04 -0.05 -0.51 1.20 0.00 0.00 173.24 173.88 2a10 s ILE 10 N 0.41 0.32 -0.01 6.45 2.07 -0.77 -1.26 121.20 128.41 2a10 s ILE 10 Ca -0.04 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2a10 s ILE 10 Cb -0.06 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.17 2a10 s ILE 10 CO -0.01 -0.26 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.04 2a10 s GLU 11 N -1.02 0.29 0.22 3.50 2.12 -0.44 -0.83 118.70 122.54 2a10 s GLU 11 Ca -0.08 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2a10 s GLU 11 Cb -0.07 -0.35 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 2a10 s GLU 11 CO -0.00 -0.01 0.04 -0.08 -0.54 0.00 0.00 175.26 174.67 2a10 s THR 12 N 0.36 0.72 -0.20 -1.70 -1.32 -0.67 -1.00 115.64 111.84 2a10 s THR 12 Ca -0.03 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.24 2a10 s THR 12 Cb -0.06 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 2a10 s THR 12 CO -0.01 -0.24 0.63 -0.63 -2.21 0.00 0.00 174.62 172.16 2a10 s ILE 13 N -3.63 5.02 0.00 5.08 -1.09 -1.24 -1.71 121.20 123.63 2a10 s ILE 13 Ca 0.31 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 2a10 s ILE 13 Cb 0.07 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2a10 s ILE 13 CO 0.09 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 2a10 n GLY 14 N 3.80 1.28 0.21 6.18 0.00 0.12 -4.51 105.19 112.27 2a10 n GLY 14 Ca -0.01 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 2a10 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a10 h PHE 15 N 0.00 0.83 -1.00 1.61 3.57 -1.92 -3.22 116.94 116.82 2a10 h PHE 15 Ca 0.00 -0.27 0.21 0.00 3.53 0.00 0.00 57.97 61.44 2a10 h PHE 15 Cb 0.00 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.47 2a10 h PHE 15 CO 0.00 1.02 0.62 -1.35 -2.23 0.00 0.00 178.31 176.36 2a10 h PRO 16 N 0.40 0.64 -0.43 6.41 0.11 -1.98 -0.75 132.00 136.40 2a10 h PRO 16 Ca 0.03 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2a10 h PRO 16 Cb 0.91 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2a10 h PRO 16 CO 0.08 0.42 -0.11 0.78 -0.21 0.00 0.00 178.00 178.96 2a10 h GLY 17 N 0.65 0.85 1.81 -0.55 0.00 -1.83 -1.49 103.07 102.51 2a10 h GLY 17 Ca 0.57 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 2a10 h GLY 17 CO -0.35 0.59 -0.67 1.19 0.00 0.00 0.00 176.54 177.30 2a10 h ILE 18 N 0.71 1.42 -0.25 2.60 6.09 -1.23 -1.17 117.51 125.68 2a10 h ILE 18 Ca 0.12 -2.15 -0.00 0.00 -1.37 0.00 0.00 64.86 61.45 2a10 h ILE 18 Cb 0.60 2.13 -0.01 0.00 0.47 0.00 0.00 36.82 40.00 2a10 h ILE 18 CO 0.04 0.63 0.14 0.25 -3.07 0.00 0.00 178.15 176.14 2a10 h LEU 19 N 0.13 0.31 -0.50 2.19 5.85 -1.09 0.08 115.31 122.27 2a10 h LEU 19 Ca -0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2a10 h LEU 19 Cb 1.20 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2a10 h LEU 19 CO 0.10 0.29 0.22 0.00 -0.34 0.00 0.00 178.44 178.71 2a10 h ALA 20 N 1.03 0.63 -0.18 1.25 0.00 -1.09 -2.25 119.26 118.65 2a10 h ALA 20 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2a10 h ALA 20 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2a10 h ALA 20 CO -0.02 -0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.17 2a10 h ALA 21 N 1.30 0.23 -0.06 0.00 0.00 -1.02 -2.16 119.26 117.56 2a10 h ALA 21 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2a10 h ALA 21 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2a10 h ALA 21 CO -0.20 -0.21 -0.15 0.00 0.00 0.00 0.00 179.25 178.69 2a10 h ALA 22 N 0.96 -0.14 -0.29 0.00 0.00 -0.81 -0.09 119.26 118.89 2a10 h ALA 22 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2a10 h ALA 22 Cb 0.12 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2a10 h ALA 22 CO -0.01 -0.63 0.09 0.22 0.00 0.00 0.00 179.25 178.93 2a10 h ASP 23 N -0.23 0.42 -0.70 0.00 3.58 -1.38 -2.65 116.42 115.46 2a10 h ASP 23 Ca 0.07 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.33 2a10 h ASP 23 Cb 0.32 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2a10 h ASP 23 CO -0.19 0.51 0.46 0.00 -2.88 0.00 0.00 179.24 177.14 2a10 h ALA 24 N 0.93 0.89 -0.07 -0.78 0.00 -1.14 -2.85 119.26 116.24 2a10 h ALA 24 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2a10 h ALA 24 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2a10 h ALA 24 CO -0.00 0.33 0.03 0.52 0.00 0.00 0.00 179.25 180.12 2a10 h MET 25 N 0.96 0.10 0.00 0.00 2.86 -0.95 -1.35 114.93 116.55 2a10 h MET 25 Ca 0.26 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 2a10 h MET 25 Cb -0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2a10 h MET 25 CO -0.05 0.21 -0.28 -0.24 1.06 0.00 0.00 176.91 177.61 2a10 h VAL 26 N -0.03 0.70 0.00 -2.22 3.04 -1.46 -1.83 116.25 114.45 2a10 h VAL 26 Ca 0.02 -1.24 -0.07 0.00 -1.01 0.00 0.00 66.70 64.40 2a10 h VAL 26 Cb 0.14 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 2a10 h VAL 26 CO -0.00 0.27 -0.67 0.11 -1.01 0.00 0.00 177.57 176.27 2a10 h LYS 27 N 0.00 0.00 0.02 4.17 1.57 -1.41 -3.37 116.57 117.55 2a10 h LYS 27 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 2a10 h LYS 27 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2a10 h LYS 27 CO 0.04 0.24 -1.68 0.00 -0.57 0.00 0.00 179.45 177.48 2a10 h ALA 28 N 1.69 0.68 -2.68 3.86 0.00 -0.73 -3.48 119.26 118.60 2a10 h ALA 28 Ca -0.04 -1.40 -0.34 0.00 0.00 0.00 0.00 54.91 53.14 2a10 h ALA 28 Cb 1.26 0.46 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 2a10 h ALA 28 CO 0.03 1.51 -0.73 0.20 0.00 0.00 0.00 179.25 180.26 2a10 s GLY 29 N -5.13 0.92 -1.24 0.00 0.00 -0.73 -4.66 107.32 96.48 2a10 s GLY 29 Ca -0.06 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.20 2a10 s GLY 29 CO 0.82 -1.33 1.81 0.50 0.00 0.00 0.00 173.10 174.90 2a10 s ARG 30 N -2.92 3.38 0.26 2.90 0.52 -1.26 -4.63 118.95 117.20 2a10 s ARG 30 Ca 0.08 -1.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.68 2a10 s ARG 30 Cb -0.02 -5.41 -0.05 0.00 0.52 0.00 0.00 34.95 29.98 2a10 s ARG 30 CO 0.01 -2.93 0.07 0.96 0.02 0.00 0.00 175.30 173.42 2a10 s ILE 31 N 6.94 0.71 -0.10 1.52 -5.25 -1.26 -4.44 121.20 119.31 2a10 s ILE 31 Ca 0.59 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 58.29 2a10 s ILE 31 Cb 0.02 -2.58 -0.00 0.00 2.95 0.00 0.00 42.46 42.85 2a10 s ILE 31 CO 0.09 -0.08 -0.23 -0.89 -1.79 0.00 0.00 174.94 172.04 2a10 s THR 32 N -3.65 2.16 -0.37 8.37 2.01 -0.00 -4.95 115.64 119.21 2a10 s THR 32 Ca 0.35 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2a10 s THR 32 Cb 0.08 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.78 2a10 s THR 32 CO 0.12 0.56 1.19 -0.63 -0.69 0.00 0.00 174.62 175.17 2a10 s ILE 33 N 0.30 4.26 -0.06 1.82 1.01 -1.26 -0.98 121.20 126.29 2a10 s ILE 33 Ca -0.17 1.39 0.22 0.00 0.00 0.00 0.00 60.65 62.09 2a10 s ILE 33 Cb -0.17 -4.38 -0.29 0.00 0.01 0.00 0.00 42.46 37.63 2a10 s ILE 33 CO 0.08 -0.65 0.52 1.33 0.00 0.00 0.00 174.94 176.22 2a10 n VAL 34 N 6.35 0.18 -3.58 2.92 0.24 -0.71 -4.94 118.33 118.80 2a10 n VAL 34 Ca 0.13 -0.53 0.02 0.00 -2.04 0.00 0.00 64.34 61.92 2a10 n VAL 34 Cb 0.48 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 2a10 n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2a10 s GLY 35 N -4.57 -0.42 0.17 7.63 0.00 -1.18 -4.89 107.32 104.05 2a10 s GLY 35 Ca -0.07 1.25 0.05 0.00 0.00 0.00 0.00 44.72 45.95 2a10 s GLY 35 CO 0.89 0.31 -0.10 -2.52 0.00 0.00 0.00 173.10 171.68 2a10 s TYR 36 N -2.01 1.40 -0.04 1.90 -0.85 -1.26 -1.58 117.35 114.91 2a10 s TYR 36 Ca 0.14 -0.73 0.04 0.00 -0.52 0.00 0.00 57.07 56.01 2a10 s TYR 36 Cb 0.05 -0.70 -0.00 0.00 0.38 0.00 0.00 41.96 41.69 2a10 s TYR 36 CO -0.06 0.14 -0.17 0.42 -1.52 0.00 0.00 175.55 174.37 2a10 s ILE 37 N -3.25 1.38 -0.75 -3.49 1.01 0.19 -4.97 121.20 111.33 2a10 s ILE 37 Ca 0.19 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 2a10 s ILE 37 Cb 0.02 -1.19 0.09 0.00 0.01 0.00 0.00 42.46 41.39 2a10 s ILE 37 CO 0.03 0.40 1.02 -0.60 0.00 0.00 0.00 174.94 175.79 2a10 s ARG 38 N 0.04 3.26 0.37 2.79 3.52 -1.26 -1.45 118.95 126.22 2a10 s ARG 38 Ca -0.03 -1.11 0.25 0.00 -0.13 0.00 0.00 55.73 54.71 2a10 s ARG 38 Cb -0.11 -4.46 0.66 0.00 -1.56 0.00 0.00 34.95 29.48 2a10 s ARG 38 CO 0.02 -1.82 1.72 0.00 -0.81 0.00 0.00 175.30 174.41 2a10 h ALA 39 N 9.37 1.00 0.00 6.12 0.00 -1.37 -3.49 119.26 130.88 2a10 h ALA 39 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a10 h ALA 39 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2a10 h ALA 39 CO 1.17 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.83 2a10 n GLY 40 N 0.94 2.78 3.02 0.00 0.00 -1.23 -4.94 105.19 105.75 2a10 n GLY 40 Ca 0.04 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 2a10 n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a10 n SER 41 N 0.00 -5.57 -1.18 1.61 7.64 -1.26 -1.08 113.62 113.79 2a10 n SER 41 Ca 0.00 -0.27 -0.15 0.00 1.01 0.00 0.00 58.87 59.46 2a10 n SER 41 Cb 0.00 -4.53 -0.07 0.00 -1.01 0.00 0.00 64.21 58.61 2a10 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a10 n ALA 42 N -3.40 -0.23 -2.25 -0.43 0.00 -1.26 -4.90 120.51 108.04 2a10 n ALA 42 Ca -0.11 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2a10 n ALA 42 Cb 0.61 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 2a10 n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a10 s ARG 43 N -3.28 4.10 -0.03 0.00 0.52 -0.24 0.16 118.95 120.18 2a10 s ARG 43 Ca 0.00 0.65 0.02 0.00 -0.52 0.00 0.00 55.73 55.89 2a10 s ARG 43 Cb 0.00 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.55 2a10 s ARG 43 CO 0.00 0.45 -0.09 -0.06 0.02 0.00 0.00 175.30 175.62 2a10 s PHE 44 N -1.48 0.96 -0.05 -0.53 0.08 -0.70 -0.87 117.98 115.40 2a10 s PHE 44 Ca 0.40 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 57.20 2a10 s PHE 44 Cb -0.16 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2a10 s PHE 44 CO 0.20 -0.12 -0.01 0.99 -0.10 0.00 0.00 175.22 176.18 2a10 s THR 45 N 0.27 4.16 -0.06 0.64 2.01 -0.53 -1.67 115.64 120.47 2a10 s THR 45 Ca -0.04 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.60 2a10 s THR 45 Cb -0.09 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 2a10 s THR 45 CO 0.01 0.52 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.00 2a10 s LEU 46 N -1.13 2.04 -0.06 4.42 2.96 -0.01 -0.64 118.68 126.28 2a10 s LEU 46 Ca 0.16 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 2a10 s LEU 46 Cb -0.11 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2a10 s LEU 46 CO 0.05 0.22 -0.25 0.20 -1.32 0.00 0.00 176.35 175.26 2a10 s ASN 47 N -0.10 3.07 0.12 3.68 0.02 -0.61 -1.85 114.94 119.27 2a10 s ASN 47 Ca -0.05 -0.51 0.04 0.00 -1.02 0.00 0.00 52.86 51.33 2a10 s ASN 47 Cb -0.14 -0.81 -0.04 0.00 0.02 0.00 0.00 41.25 40.28 2a10 s ASN 47 CO 0.04 0.25 -0.11 0.27 0.02 0.00 0.00 177.10 177.57 2a10 s ILE 48 N -0.19 1.11 0.11 0.60 -4.36 -0.13 -1.74 121.20 116.60 2a10 s ILE 48 Ca -0.03 -1.83 0.07 0.00 -0.26 0.00 0.00 60.65 58.61 2a10 s ILE 48 Cb -0.14 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 2a10 s ILE 48 CO 0.03 -0.61 -0.18 -0.13 0.24 0.00 0.00 174.94 174.30 2a10 s ARG 49 N -3.16 1.07 0.00 0.37 1.81 -0.15 -1.50 118.95 117.38 2a10 s ARG 49 Ca 0.11 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 2a10 s ARG 49 Cb -0.01 -1.16 0.00 0.00 -0.45 0.00 0.00 34.95 33.33 2a10 s ARG 49 CO 0.01 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 2a10 n GLY 50 N 0.87 -2.13 3.71 -3.53 0.00 -0.81 -0.82 105.19 102.47 2a10 n GLY 50 Ca -0.18 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2a10 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a10 n ASP 51 N 2.01 1.73 -0.20 1.61 8.00 -1.26 -1.03 116.55 127.41 2a10 n ASP 51 Ca 0.00 0.79 -0.03 0.00 0.71 0.00 0.00 54.79 56.26 2a10 n ASP 51 Cb 0.00 -1.53 0.07 0.00 -0.02 0.00 0.00 41.12 39.65 2a10 n ASP 51 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2a10 h VAL 52 N 0.31 0.98 -0.39 2.53 3.04 -1.93 -0.50 116.25 120.29 2a10 h VAL 52 Ca -0.50 -0.21 -0.06 0.00 -1.01 0.00 0.00 66.70 64.92 2a10 h VAL 52 Cb 1.34 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 2a10 h VAL 52 CO 0.52 0.11 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.55 2a10 h GLN 53 N 0.61 0.64 -0.15 4.17 5.75 -1.99 -0.80 115.11 123.34 2a10 h GLN 53 Ca 0.26 -0.16 -0.18 0.00 -0.15 0.00 0.00 58.65 58.42 2a10 h GLN 53 Cb 0.14 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 2a10 h GLN 53 CO -0.16 0.68 -0.63 0.93 -2.65 0.00 0.00 178.83 177.00 2a10 h GLU 54 N 0.60 0.54 -0.62 1.69 4.39 -1.73 -1.51 114.58 117.94 2a10 h GLU 54 Ca 0.12 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 2a10 h GLU 54 Cb 0.41 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2a10 h GLU 54 CO 0.02 1.00 0.14 0.28 -1.16 0.00 0.00 179.01 179.29 2a10 h VAL 55 N 0.40 1.25 -0.49 3.13 2.07 -0.77 -1.24 116.25 120.60 2a10 h VAL 55 Ca -0.01 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2a10 h VAL 55 Cb 1.19 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2a10 h VAL 55 CO 0.12 0.35 0.29 0.11 0.02 0.00 0.00 177.57 178.46 2a10 h LYS 56 N 0.91 0.67 -0.12 1.57 1.57 -0.97 0.24 116.57 120.45 2a10 h LYS 56 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2a10 h LYS 56 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2a10 h LYS 56 CO 0.00 0.50 0.05 1.15 -0.57 0.00 0.00 179.45 180.58 2a10 h THR 57 N 0.66 1.14 -0.60 -0.16 2.02 -1.15 -2.27 112.91 112.54 2a10 h THR 57 Ca 0.18 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2a10 h THR 57 Cb -0.00 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2a10 h THR 57 CO -0.03 0.12 0.40 0.00 0.37 0.00 0.00 175.52 176.38 2a10 h ALA 58 N 0.90 0.76 -0.77 6.16 0.00 -1.13 -2.48 119.26 122.71 2a10 h ALA 58 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a10 h ALA 58 Cb 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2a10 h ALA 58 CO -0.00 0.20 0.48 1.98 0.00 0.00 0.00 179.25 181.91 2a10 h MET 59 N 0.82 1.04 -0.66 0.00 -1.53 -0.83 0.96 114.93 114.72 2a10 h MET 59 Ca 0.22 -0.09 0.02 0.00 -3.44 0.00 0.00 59.70 56.41 2a10 h MET 59 Cb -0.09 -0.22 -0.04 0.00 -0.55 0.00 0.00 31.60 30.70 2a10 h MET 59 CO -0.05 0.72 0.43 0.00 0.14 0.00 0.00 176.91 178.15 2a10 h ALA 60 N 1.26 0.85 -0.41 0.39 0.00 -1.19 -1.48 119.26 118.68 2a10 h ALA 60 Ca 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2a10 h ALA 60 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2a10 h ALA 60 CO -0.05 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.30 2a10 h ALA 61 N 1.26 1.02 -0.32 0.00 0.00 -0.93 -2.62 119.26 117.68 2a10 h ALA 61 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2a10 h ALA 61 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2a10 h ALA 61 CO -0.08 0.59 0.15 0.78 0.00 0.00 0.00 179.25 180.69 2a10 h GLY 62 N 0.97 0.49 0.98 0.00 0.00 -0.46 -1.62 103.07 103.44 2a10 h GLY 62 Ca 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2a10 h GLY 62 CO 0.04 0.24 0.24 -2.22 0.00 0.00 0.00 176.54 174.83 2a10 h ILE 63 N 0.37 1.13 -0.78 2.60 2.04 -1.24 -1.81 117.51 119.82 2a10 h ILE 63 Ca 0.11 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2a10 h ILE 63 Cb 0.13 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2a10 h ILE 63 CO -0.01 0.13 0.32 0.44 0.00 0.00 0.00 178.15 179.02 2a10 h ASP 64 N 0.51 1.06 -0.59 1.72 5.19 -1.42 -2.22 116.42 120.67 2a10 h ASP 64 Ca 0.14 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2a10 h ASP 64 Cb -0.00 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 2a10 h ASP 64 CO -0.03 0.93 0.14 0.00 -3.12 0.00 0.00 179.24 177.16 2a10 h ALA 65 N 1.22 0.79 -0.37 3.45 0.00 -1.08 -2.16 119.26 121.11 2a10 h ALA 65 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2a10 h ALA 65 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2a10 h ALA 65 CO -0.02 0.50 0.23 0.82 0.00 0.00 0.00 179.25 180.78 2a10 h ILE 66 N 0.87 1.11 0.00 0.00 2.04 -1.08 -2.25 117.51 118.20 2a10 h ILE 66 Ca 0.19 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2a10 h ILE 66 Cb 0.37 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2a10 h ILE 66 CO 0.00 0.11 -0.14 0.78 0.00 0.00 0.00 178.15 178.91 2a10 h ASN 67 N 0.48 0.00 0.92 1.72 -0.26 -1.24 -0.32 115.58 116.88 2a10 h ASN 67 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2a10 h ASN 67 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2a10 h ASN 67 CO -0.03 0.14 -0.28 0.54 -1.06 0.00 0.00 177.43 176.74 2a10 n ARG 68 N -3.51 0.12 -2.96 0.81 1.74 -0.83 -4.88 116.66 107.15 2a10 n ARG 68 Ca -0.01 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 2a10 n ARG 68 Cb 0.29 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 2a10 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2a10 s THR 69 N -3.06 5.00 -0.14 0.55 2.01 -0.13 -4.99 115.64 114.87 2a10 s THR 69 Ca 0.11 1.61 -0.33 0.00 0.31 0.00 0.00 61.69 63.38 2a10 s THR 69 Cb 0.16 -4.11 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 2a10 s THR 69 CO 0.63 0.23 1.98 -0.62 -0.69 0.00 0.00 174.62 176.16 2a10 n GLU 70 N 3.80 2.01 -0.57 4.92 -0.58 -1.26 -2.15 120.64 126.81 2a10 n GLU 70 Ca 0.01 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2a10 n GLU 70 Cb 0.51 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.67 2a10 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a10 n GLY 71 N 4.94 1.20 3.88 0.62 0.00 -1.26 -4.94 105.19 109.63 2a10 n GLY 71 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2a10 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a10 s ALA 72 N -3.31 3.82 -0.01 4.61 0.00 -0.91 -4.95 121.76 121.00 2a10 s ALA 72 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2a10 s ALA 72 Cb 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2a10 s ALA 72 CO 0.00 0.65 0.22 -0.51 0.00 0.00 0.00 175.76 176.13 2a10 s ASP 73 N -2.84 -0.09 -0.18 0.00 1.01 -1.26 -4.62 116.67 108.68 2a10 s ASP 73 Ca 0.33 -0.02 -0.29 0.00 0.71 0.00 0.00 52.55 53.28 2a10 s ASP 73 Cb -0.12 0.28 -0.00 0.00 1.01 0.00 0.00 42.92 44.09 2a10 s ASP 73 CO 0.26 -0.38 1.12 -0.69 0.21 0.00 0.00 175.17 175.69 2a10 s VAL 74 N -1.23 4.53 -0.10 -1.27 1.01 -1.26 -3.65 120.40 118.43 2a10 s VAL 74 Ca -0.13 1.84 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 2a10 s VAL 74 Cb -0.06 -4.19 -0.27 0.00 0.00 0.00 0.00 36.38 31.86 2a10 s VAL 74 CO 0.03 -0.13 0.45 0.11 0.00 0.00 0.00 175.10 175.55 2a10 h LYS 75 N 7.65 0.30 -1.59 2.72 1.79 -1.43 -3.49 116.57 122.51 2a10 h LYS 75 Ca -0.24 -0.51 0.09 0.00 -2.18 0.00 0.00 60.65 57.81 2a10 h LYS 75 Cb 1.09 0.19 -0.22 0.00 -1.58 0.00 0.00 32.23 31.71 2a10 h LYS 75 CO 0.95 1.24 0.56 -0.08 -1.08 0.00 0.00 179.45 181.04 2a10 s THR 76 N -2.56 0.00 0.08 -0.16 -1.32 -1.20 -5.02 115.64 105.46 2a10 s THR 76 Ca -0.21 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.04 2a10 s THR 76 Cb 0.06 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.11 2a10 s THR 76 CO 0.79 0.00 0.57 -1.66 -2.21 0.00 0.00 174.62 172.11 2a10 s TRP 77 N -1.26 -0.49 0.05 9.09 1.48 -1.26 -1.33 118.94 125.22 2a10 s TRP 77 Ca -0.01 0.48 -0.20 0.00 -1.06 0.00 0.00 56.10 55.31 2a10 s TRP 77 Cb -0.00 0.43 0.04 0.00 -1.16 0.00 0.00 33.47 32.78 2a10 s TRP 77 CO 0.01 -0.72 0.46 0.54 -4.06 0.00 0.00 176.95 173.17 2a10 s VAL 78 N -2.87 0.04 -0.06 -0.66 0.11 -0.39 -5.01 120.40 111.57 2a10 s VAL 78 Ca -0.03 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 2a10 s VAL 78 Cb -0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2a10 s VAL 78 CO -0.05 -0.20 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.72 2a10 s ILE 79 N -2.56 1.49 -0.31 7.04 1.01 -1.26 -1.29 121.20 125.32 2a10 s ILE 79 Ca -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2a10 s ILE 79 Cb -0.01 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.24 2a10 s ILE 79 CO -0.03 0.43 -0.01 -0.63 0.00 0.00 0.00 174.94 174.70 2a10 s ILE 80 N 0.27 2.50 0.35 2.92 -1.09 -0.01 -5.02 121.20 121.12 2a10 s ILE 80 Ca -0.10 -1.81 0.05 0.00 -2.23 0.00 0.00 60.65 56.56 2a10 s ILE 80 Cb -0.14 -2.59 0.29 0.00 -1.58 0.00 0.00 42.46 38.44 2a10 s ILE 80 CO 0.04 -0.27 1.95 -0.65 -1.23 0.00 0.00 174.94 174.78 2a10 h PRO 81 N 7.81 0.79 -1.83 2.79 0.11 -1.95 -1.61 132.00 138.11 2a10 h PRO 81 Ca -0.15 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.39 2a10 h PRO 81 Cb 1.04 -0.18 -0.37 0.00 0.11 0.00 0.00 31.00 31.60 2a10 h PRO 81 CO 0.52 0.53 -1.07 0.54 -0.21 0.00 0.00 178.00 178.31 2a10 n ARG 82 N -4.48 0.75 -2.00 1.05 1.74 -1.26 -3.57 116.66 108.89 2a10 n ARG 82 Ca 0.11 -3.11 -0.41 0.00 -0.77 0.00 0.00 57.85 53.67 2a10 n ARG 82 Cb 0.22 -1.28 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2a10 n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2a10 s PRO 83 N -1.15 4.26 0.54 5.56 0.04 -1.26 -4.96 135.00 138.03 2a10 s PRO 83 Ca 0.35 2.33 -0.21 0.00 0.04 0.00 0.00 61.00 63.51 2a10 s PRO 83 Cb 0.19 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2a10 s PRO 83 CO -0.12 -0.40 1.23 -1.58 0.04 0.00 0.00 177.00 176.17 2a10 s HIS 84 N -0.30 2.52 0.44 0.56 2.46 -1.26 -4.78 115.29 114.93 2a10 s HIS 84 Ca 0.57 1.49 0.10 0.00 0.47 0.00 0.00 55.06 57.69 2a10 s HIS 84 Cb -0.42 -3.52 0.96 0.00 -0.13 0.00 0.00 32.58 29.47 2a10 s HIS 84 CO 0.47 -2.13 2.05 0.93 -2.47 0.00 0.00 174.74 173.59 2a10 h GLU 85 N 1.38 0.31 -0.47 2.88 5.08 -2.00 -1.55 114.58 120.21 2a10 h GLU 85 Ca -0.50 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 2a10 h GLU 85 Cb 1.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2a10 h GLU 85 CO 0.57 0.26 0.10 -0.97 -1.00 0.00 0.00 179.01 177.98 2a10 h ASN 86 N 0.32 0.66 -0.03 1.42 -0.00 -1.98 -0.71 115.58 115.26 2a10 h ASN 86 Ca 0.08 -0.11 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2a10 h ASN 86 Cb 0.06 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.21 2a10 h ASN 86 CO -0.01 0.67 0.01 0.58 -0.00 0.00 0.00 177.43 178.68 2a10 h VAL 87 N 0.69 1.16 -0.64 2.57 2.07 -1.67 -2.34 116.25 118.09 2a10 h VAL 87 Ca 0.15 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2a10 h VAL 87 Cb 0.27 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2a10 h VAL 87 CO -0.00 0.13 0.29 0.58 0.02 0.00 0.00 177.57 178.60 2a10 h VAL 88 N -0.14 1.21 -0.24 2.57 2.07 -1.20 -1.22 116.25 119.30 2a10 h VAL 88 Ca 0.01 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2a10 h VAL 88 Cb 0.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2a10 h VAL 88 CO -0.00 0.26 -0.23 0.00 0.02 0.00 0.00 177.57 177.62 2a10 h ALA 89 N 1.41 1.16 0.03 1.67 0.00 -1.07 -3.37 119.26 119.09 2a10 h ALA 89 Ca 0.22 -0.32 -0.39 0.00 0.00 0.00 0.00 54.91 54.42 2a10 h ALA 89 Cb 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2a10 h ALA 89 CO -0.03 0.53 -2.31 0.28 0.00 0.00 0.00 179.25 177.73 2a10 n VAL 90 N -4.14 1.56 -3.47 0.00 0.31 -0.89 -4.97 118.33 106.73 2a10 n VAL 90 Ca -0.00 -0.52 -0.33 0.00 -0.01 0.00 0.00 64.34 63.48 2a10 n VAL 90 Cb 0.38 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 2a10 n VAL 90 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2a10 s LEU 91 N -6.90 4.23 -0.89 7.52 1.43 -0.48 -4.99 118.68 118.60 2a10 s LEU 91 Ca -0.33 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2a10 s LEU 91 Cb 0.09 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 2a10 s LEU 91 CO 0.62 0.01 2.51 -0.81 0.23 0.00 0.00 176.35 178.90 2a10 n PRO 92 N 0.18 2.38 0.00 1.29 -0.04 -1.26 -4.25 135.00 133.30 2a10 n PRO 92 Ca -0.02 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2a10 n PRO 92 Cb 0.52 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2a10 n PRO 92 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2a10 n ILE 93 N 3.65 0.63 -2.24 0.52 -5.35 -1.26 -4.69 119.36 110.62 2a10 n ILE 93 Ca 0.51 -0.78 -0.28 0.00 -0.27 0.00 0.00 62.75 61.93 2a10 n ILE 93 Cb 0.29 0.71 0.04 0.00 -1.74 0.00 0.00 39.64 38.93 2a10 n ILE 93 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a10 s ASP 94 N -0.63 5.54 0.80 7.28 -1.08 -1.26 -4.90 116.67 122.42 2a10 s ASP 94 Ca 0.00 0.84 -0.11 0.00 -0.52 0.00 0.00 52.55 52.76 2a10 s ASP 94 Cb 0.00 -1.77 0.07 0.00 -1.46 0.00 0.00 42.92 39.77 2a10 s ASP 94 CO 0.00 -1.16 1.09 -0.36 0.52 0.00 0.00 175.17 175.26 2a10 s PHE 95 N -3.11 2.71 0.14 -5.34 0.08 -1.26 -4.89 117.98 106.31 2a10 s PHE 95 Ca 0.55 1.29 -0.06 0.00 0.12 0.00 0.00 56.93 58.83 2a10 s PHE 95 Cb -0.11 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 2a10 s PHE 95 CO 0.47 -1.84 0.18 -1.54 -0.10 0.00 0.00 175.22 172.38 2a10 s SER 96 N -3.68 0.17 0.24 1.36 1.04 -1.26 -5.05 113.70 106.52 2a10 s SER 96 Ca 0.61 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 2a10 s SER 96 Cb -0.16 0.36 0.40 0.00 0.10 0.00 0.00 66.02 66.73 2a10 s SER 96 CO 0.55 -0.80 1.78 -0.65 0.98 0.00 0.00 173.24 175.10 2a10 h PRO 97 N 2.71 0.63 -0.86 4.02 0.11 -2.01 -1.12 132.00 135.49 2a10 h PRO 97 Ca -0.33 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.99 2a10 h PRO 97 Cb 1.21 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2a10 h PRO 97 CO 0.54 0.41 0.62 0.93 -0.21 0.00 0.00 178.00 180.29 2a10 h GLU 98 N 0.64 0.00 -0.12 1.05 3.07 -2.02 -2.67 114.58 114.54 2a10 h GLU 98 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2a10 h GLU 98 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2a10 h GLU 98 CO -0.29 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.65 2a10 n VAL 99 N -4.27 0.61 -0.24 3.13 0.24 -0.47 -4.72 118.33 112.60 2a10 n VAL 99 Ca 0.18 -0.80 -0.01 0.00 -2.04 0.00 0.00 64.34 61.66 2a10 n VAL 99 Cb 0.93 0.75 0.18 0.00 -1.47 0.00 0.00 33.84 34.23 2a10 n VAL 99 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2a10 h GLU 100 N 1.17 1.06 -0.84 7.34 4.39 -1.06 -1.49 114.58 125.15 2a10 h GLU 100 Ca 0.00 -0.11 0.12 0.00 0.34 0.00 0.00 59.36 59.72 2a10 h GLU 100 Cb 0.48 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 2a10 h GLU 100 CO 0.00 0.76 0.54 -1.35 -1.16 0.00 0.00 179.01 177.81 2a10 h PRO 101 N 1.07 0.66 0.00 2.33 0.11 -1.84 -1.09 132.00 133.24 2a10 h PRO 101 Ca 0.28 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 2a10 h PRO 101 Cb -0.00 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 2a10 h PRO 101 CO -0.05 0.44 -0.95 0.74 -0.21 0.00 0.00 178.00 177.97 2a10 h PHE 102 N 0.68 0.00 -0.35 0.65 -1.00 -1.73 -2.88 116.94 112.32 2a10 h PHE 102 Ca 0.40 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.10 2a10 h PHE 102 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 2a10 h PHE 102 CO -0.00 0.95 -0.15 -0.09 -1.61 0.00 0.00 178.31 177.40 2a10 h ARG 103 N 0.00 0.62 -0.01 1.51 2.43 -0.30 -3.25 114.38 115.38 2a10 h ARG 103 Ca -0.01 -0.21 -0.20 0.00 -0.81 0.00 0.00 59.98 58.75 2a10 h ARG 103 Cb 1.71 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 31.22 2a10 h ARG 103 CO 0.12 0.75 -0.77 0.93 -1.51 0.00 0.00 179.97 179.50 2a10 h GLU 104 N 0.56 0.54 0.00 0.20 5.08 -1.21 -3.50 114.58 116.25 2a10 h GLU 104 Ca 0.09 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2a10 h GLU 104 Cb 0.59 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2a10 h GLU 104 CO 0.04 1.19 0.00 0.00 -1.00 0.00 0.00 179.01 179.24