#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n HIS 3 N 0.00 0.00 -0.11 7.33 -0.00 -1.26 -4.68 115.22 116.50 3dll n HIS 3 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.72 57.96 3dll n HIS 3 Cb 0.00 -0.07 0.45 0.00 -0.00 0.00 0.00 29.99 30.37 3dll n HIS 3 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 3dll h TYR 4 N -0.13 0.00 0.00 4.41 0.05 -1.95 -3.29 116.97 116.05 3dll h TYR 4 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dll h TYR 4 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 3dll h TYR 4 CO -0.06 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.65 3dll n ASP 5 N -3.23 0.00 0.00 3.88 3.85 -1.26 -4.42 116.55 115.37 3dll n ASP 5 Ca 0.18 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.26 3dll n ASP 5 Cb 1.33 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.10 3dll n ASP 5 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3dll n ILE 6 N 0.00 0.00 -0.56 2.12 5.41 -1.24 -4.50 119.36 120.58 3dll n ILE 6 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 3dll n ILE 6 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3dll n ILE 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3dll n LEU 7 N 0.00 0.37 -0.04 1.39 -0.00 -1.26 -4.31 117.00 113.15 3dll n LEU 7 Ca 0.00 0.35 -0.21 0.00 -0.00 0.00 0.00 56.01 56.15 3dll n LEU 7 Cb 0.00 -0.33 -0.13 0.00 -0.00 0.00 0.00 43.42 42.96 3dll n LEU 7 CO 0.00 -0.30 -0.90 0.00 -0.00 0.00 0.00 177.39 176.19 3dll n GLN 8 N 2.14 0.71 0.00 1.96 3.00 -0.91 -5.00 117.38 119.27 3dll n GLN 8 Ca 0.16 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 3dll n GLN 8 Cb -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.55 3dll n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dll n ALA 9 N -3.16 0.00 -2.25 -1.58 0.00 -0.71 -4.96 120.51 107.85 3dll n ALA 9 Ca -0.36 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 3dll n ALA 9 Cb 0.98 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.38 3dll n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dll s PRO 10 N -2.00 4.53 0.08 0.00 0.04 -1.26 0.11 135.00 136.51 3dll s PRO 10 Ca 0.00 1.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 3dll s PRO 10 Cb 0.00 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 3dll s PRO 10 CO 0.00 0.37 1.23 0.08 0.04 0.00 0.00 177.00 178.72 3dll s VAL 11 N -0.41 3.88 -0.09 -0.36 1.01 1.00 -4.74 120.40 120.69 3dll s VAL 11 Ca 0.38 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 3dll s VAL 11 Cb -0.22 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3dll s VAL 11 CO 0.25 0.11 -0.03 0.16 0.00 0.00 0.00 175.10 175.59 3dll h ILE 12 N 4.41 0.00 0.00 2.22 -0.00 -1.94 -3.44 117.51 118.76 3dll h ILE 12 Ca -0.42 -0.84 0.00 0.00 -0.00 0.00 0.00 64.86 63.60 3dll h ILE 12 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.03 3dll h ILE 12 CO 0.82 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 177.43 3dll n SER 13 N -4.31 0.00 0.00 2.16 3.41 -1.26 -3.88 113.62 109.74 3dll n SER 13 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3dll n SER 13 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3dll n SER 13 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3dll n GLU 14 N 0.00 2.52 -0.20 4.33 0.28 -1.26 -4.45 120.64 121.86 3dll n GLU 14 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 3dll n GLU 14 Cb 0.00 -0.71 0.15 0.00 1.43 0.00 0.00 31.44 32.31 3dll n GLU 14 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dll n LYS 15 N -0.90 1.90 -0.01 3.44 4.76 -1.26 -2.62 118.16 123.47 3dll n LYS 15 Ca 0.00 -1.20 -0.03 0.00 -2.87 0.00 0.00 58.31 54.21 3dll n LYS 15 Cb 0.11 -1.34 -0.01 0.00 -1.84 0.00 0.00 35.03 31.95 3dll n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dll n ALA 16 N 0.42 2.11 0.17 7.82 0.00 -1.26 -3.65 120.51 126.13 3dll n ALA 16 Ca 0.11 -0.30 0.16 0.00 0.00 0.00 0.00 53.44 53.41 3dll n ALA 16 Cb 0.33 0.14 0.76 0.00 0.00 0.00 0.00 19.45 20.69 3dll n ALA 16 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3dll h TYR 17 N -0.35 0.00 0.00 0.00 3.20 -1.69 3.09 116.97 121.22 3dll h TYR 17 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3dll h TYR 17 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3dll h TYR 17 CO -0.15 0.00 -0.58 -1.13 -1.64 0.00 0.00 178.16 174.66 3dll n SER 18 N -4.11 0.65 0.05 -2.11 3.41 -1.08 -3.44 113.62 106.99 3dll n SER 18 Ca 0.02 0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 3dll n SER 18 Cb 0.33 0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 3dll n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dll h ALA 19 N 2.60 0.59 -0.67 7.33 0.00 0.50 -3.34 119.26 126.28 3dll h ALA 19 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3dll h ALA 19 Cb 0.70 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dll h ALA 19 CO 0.00 1.16 0.00 -1.33 0.00 0.00 0.00 179.25 179.08 3dll n MET 20 N -3.15 0.00 0.00 0.00 2.00 0.31 -3.34 117.12 112.93 3dll n MET 20 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 57.70 58.03 3dll n MET 20 Cb 0.91 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.76 3dll n MET 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3dll n GLU 21 N -1.67 0.00 0.13 0.03 -0.58 -1.24 0.63 120.64 117.94 3dll n GLU 21 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3dll n GLU 21 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 3dll n GLU 21 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3dll h ARG 22 N 0.00 -0.36 0.00 3.49 0.11 -1.76 -3.48 114.38 112.38 3dll h ARG 22 Ca 0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3dll h ARG 22 Cb 0.00 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3dll h ARG 22 CO 0.00 -0.01 0.00 0.41 0.10 0.00 0.00 179.97 180.47 3dll n GLY 23 N 0.07 0.00 3.96 0.08 0.00 2.78 -5.03 105.19 107.06 3dll n GLY 23 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3dll n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dll s VAL 24 N 0.00 4.91 0.05 1.61 1.01 -1.16 -3.95 120.40 122.88 3dll s VAL 24 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3dll s VAL 24 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3dll s VAL 24 CO 0.00 -0.38 -0.07 -0.31 0.00 0.00 0.00 175.10 174.35 3dll s TYR 25 N -2.17 0.65 -0.03 5.22 2.02 0.58 -3.46 117.35 120.15 3dll s TYR 25 Ca 0.39 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3dll s TYR 25 Cb -0.09 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.10 3dll s TYR 25 CO 0.32 -0.13 0.01 -1.54 -1.57 0.00 0.00 175.55 172.65 3dll s SER 26 N -1.94 0.61 -0.04 2.29 1.04 -1.26 -0.72 113.70 113.69 3dll s SER 26 Ca -0.05 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3dll s SER 26 Cb -0.06 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3dll s SER 26 CO -0.01 -0.13 -0.12 -0.36 0.98 0.00 0.00 173.24 173.60 3dll s PHE 27 N 1.27 1.22 -0.04 5.02 0.40 0.44 -0.00 117.98 126.29 3dll s PHE 27 Ca -0.06 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 3dll s PHE 27 Cb -0.13 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 3dll s PHE 27 CO -0.02 -0.15 1.46 -1.58 0.70 0.00 0.00 175.22 175.63 3dll s TRP 28 N 0.25 2.60 0.02 0.36 0.52 0.31 0.24 118.94 123.24 3dll s TRP 28 Ca -0.05 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.72 3dll s TRP 28 Cb -0.11 -3.72 0.00 0.00 -1.15 0.00 0.00 33.47 28.49 3dll s TRP 28 CO 0.01 -2.78 0.00 1.33 0.02 0.00 0.00 176.95 175.53 3dll n VAL 29 N 4.99 0.00 -2.39 4.03 0.24 -1.26 -1.73 118.33 122.21 3dll n VAL 29 Ca 0.14 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.34 61.96 3dll n VAL 29 Cb 0.43 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.71 3dll n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3dll s SER 30 N -1.11 7.05 0.50 -1.34 0.01 -1.26 -4.06 113.70 113.49 3dll s SER 30 Ca 0.00 2.34 0.33 0.00 1.31 0.00 0.00 55.95 59.93 3dll s SER 30 Cb -0.00 -2.63 1.45 0.00 0.21 0.00 0.00 66.02 65.06 3dll s SER 30 CO 0.00 -0.30 1.76 -0.65 0.41 0.00 0.00 173.24 174.46 3dll h PRO 31 N 3.50 0.10 -3.56 12.44 0.11 -1.93 -3.32 132.00 139.35 3dll h PRO 31 Ca -0.47 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.11 3dll h PRO 31 Cb 1.22 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 3dll h PRO 31 CO 0.66 0.06 -0.76 -1.59 -0.21 0.00 0.00 178.00 176.16 3dll s LYS 32 N -5.10 0.68 -0.30 1.05 -2.85 -1.26 -4.96 119.74 107.01 3dll s LYS 32 Ca -0.06 -0.48 -0.05 0.00 -1.00 0.00 0.00 55.97 54.38 3dll s LYS 32 Cb 0.24 -2.11 0.19 0.00 -2.06 0.00 0.00 37.83 34.09 3dll s LYS 32 CO 0.81 -0.66 0.88 0.00 0.10 0.00 0.00 175.35 176.48 3dll s ALA 33 N 1.83 -3.42 0.05 0.59 0.00 -1.25 -5.13 121.76 114.43 3dll s ALA 33 Ca -0.00 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 3dll s ALA 33 Cb -0.17 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 3dll s ALA 33 CO -0.09 -1.96 0.31 0.25 0.00 0.00 0.00 175.76 174.27 3dll n THR 34 N 5.24 0.50 0.25 0.00 -2.24 -1.26 -4.55 114.28 112.21 3dll n THR 34 Ca 0.07 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3dll n THR 34 Cb 0.56 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.12 3dll n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dll h LYS 35 N 0.76 0.00 0.00 -0.78 3.64 -2.00 0.62 116.57 118.80 3dll h LYS 35 Ca -0.16 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.94 3dll h LYS 35 Cb 0.60 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 3dll h LYS 35 CO 0.25 0.00 -2.08 0.25 -2.27 0.00 0.00 179.45 175.60 3dll n THR 36 N -2.32 1.08 -0.31 1.00 -2.24 -1.26 -3.19 114.28 107.03 3dll n THR 36 Ca -0.01 -0.63 0.15 0.00 -2.27 0.00 0.00 64.05 61.28 3dll n THR 36 Cb 0.58 -0.67 0.33 0.00 -2.10 0.00 0.00 70.33 68.47 3dll n THR 36 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3dll h GLU 37 N 0.00 0.42 0.04 -0.78 4.57 -0.01 0.43 114.58 119.25 3dll h GLU 37 Ca -0.43 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.65 3dll h GLU 37 Cb 1.93 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.43 3dll h GLU 37 CO 0.01 0.27 -0.38 0.97 -1.18 0.00 0.00 179.01 178.70 3dll h ILE 38 N 0.43 1.62 0.00 2.32 2.10 -1.66 -2.99 117.51 119.33 3dll h ILE 38 Ca 0.58 -2.39 0.00 0.00 1.08 0.00 0.00 64.86 64.13 3dll h ILE 38 Cb 1.12 3.23 0.00 0.00 -1.09 0.00 0.00 36.82 40.08 3dll h ILE 38 CO -0.52 0.62 0.00 1.17 -1.08 0.00 0.00 178.15 178.34 3dll n LYS 39 N -4.43 0.00 -0.15 2.19 4.81 0.03 0.97 118.16 121.59 3dll n LYS 39 Ca -0.13 0.64 -0.10 0.00 -0.87 0.00 0.00 58.31 57.84 3dll n LYS 39 Cb 0.61 -1.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 3dll n LYS 39 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 3dll h ASP 40 N 0.00 -1.49 0.00 3.14 3.58 -1.43 0.04 116.42 120.26 3dll h ASP 40 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3dll h ASP 40 Cb 0.00 0.62 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3dll h ASP 40 CO 0.00 -0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.07 3dll n ALA 41 N -3.03 0.00 -0.19 -0.78 0.00 0.27 -0.86 120.51 115.92 3dll n ALA 41 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3dll n ALA 41 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.72 3dll n ALA 41 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3dll n ILE 42 N 0.00 -0.26 -0.48 0.00 0.00 0.42 0.20 119.36 119.24 3dll n ILE 42 Ca 0.00 1.15 0.43 0.00 0.00 0.00 0.00 62.75 64.32 3dll n ILE 42 Cb 0.00 -1.51 0.78 0.00 0.00 0.00 0.00 39.64 38.91 3dll n ILE 42 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3dll h GLN 43 N 0.00 0.00 0.00 9.51 4.15 0.82 1.03 115.11 130.62 3dll h GLN 43 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3dll h GLN 43 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3dll h GLN 43 CO -0.48 0.00 -1.67 1.04 -1.93 0.00 0.00 178.83 175.79 3dll n GLN 44 N -4.04 0.61 0.05 1.69 1.13 0.54 -0.47 117.38 116.88 3dll n GLN 44 Ca 0.33 -0.14 0.12 0.00 -1.94 0.00 0.00 57.00 55.37 3dll n GLN 44 Cb 1.58 -1.46 0.46 0.00 0.11 0.00 0.00 30.24 30.94 3dll n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dll n ALA 45 N -2.01 2.01 -0.90 -1.58 0.00 0.35 -3.53 120.51 114.85 3dll n ALA 45 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dll n ALA 45 Cb 0.47 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3dll n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dll n PHE 46 N -1.84 0.00 -2.14 0.00 3.01 -0.70 -5.06 117.46 110.73 3dll n PHE 46 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3dll n PHE 46 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3dll n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dll n GLY 47 N 0.00 -4.52 0.00 1.37 0.00 0.37 -4.94 105.19 97.47 3dll n GLY 47 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dll n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dll n VAL 48 N 1.89 0.00 -1.12 1.61 3.14 -0.62 -4.95 118.33 118.28 3dll n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3dll n VAL 48 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3dll n VAL 48 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3dll n ARG 49 N -0.96 2.64 -3.15 1.45 1.85 -1.26 -4.72 116.66 112.51 3dll n ARG 49 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 3dll n ARG 49 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3dll n ARG 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3dll s VAL 50 N 1.46 -0.98 0.57 8.89 1.01 -1.26 -4.63 120.40 125.46 3dll s VAL 50 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 61.98 62.29 3dll s VAL 50 Cb 0.00 -0.99 0.44 0.00 0.00 0.00 0.00 36.38 35.84 3dll s VAL 50 CO 0.00 0.00 1.78 0.40 0.00 0.00 0.00 175.10 177.28 3dll h ILE 51 N 5.97 0.34 0.00 2.22 1.08 -1.72 -3.44 117.51 121.95 3dll h ILE 51 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3dll h ILE 51 Cb 1.19 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3dll h ILE 51 CO 0.16 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.23 3dll n GLY 52 N -1.63 0.91 3.26 5.37 0.00 -1.19 -5.03 105.19 106.88 3dll n GLY 52 Ca 0.16 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 3dll n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dll s ILE 53 N -2.00 1.22 -0.29 -0.61 1.10 -1.26 -2.38 121.20 116.98 3dll s ILE 53 Ca 0.00 -2.07 -0.16 0.00 -0.51 0.00 0.00 60.65 57.92 3dll s ILE 53 Cb 0.00 -1.86 0.15 0.00 0.15 0.00 0.00 42.46 40.90 3dll s ILE 53 CO 0.00 -0.73 0.96 -0.44 -2.11 0.00 0.00 174.94 172.63 3dll s SER 54 N -3.16 -0.53 -0.03 4.50 0.01 -0.90 -4.97 113.70 108.62 3dll s SER 54 Ca 0.17 0.84 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 3dll s SER 54 Cb 0.02 1.27 0.09 0.00 0.21 0.00 0.00 66.02 67.62 3dll s SER 54 CO 0.01 -0.13 0.78 0.42 0.41 0.00 0.00 173.24 174.73 3dll s THR 55 N 1.49 0.00 -0.09 1.44 -4.23 -1.26 0.44 115.64 113.42 3dll s THR 55 Ca -0.08 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.27 3dll s THR 55 Cb -0.04 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.84 3dll s THR 55 CO -0.15 0.00 0.40 -0.04 -0.54 0.00 0.00 174.62 174.29 3dll s MET 56 N -2.01 0.61 1.03 3.99 -1.94 -1.14 -5.01 119.30 114.83 3dll s MET 56 Ca -0.04 0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 54.08 3dll s MET 56 Cb -0.00 0.28 0.16 0.00 2.01 0.00 0.00 34.83 37.28 3dll s MET 56 CO 0.00 -0.13 0.76 0.09 -0.01 0.00 0.00 175.02 175.74 3dll n ASN 57 N 2.08 -1.22 -3.42 3.03 3.02 -1.26 -3.99 115.26 113.50 3dll n ASN 57 Ca -0.17 0.15 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 3dll n ASN 57 Cb 0.57 -1.27 -0.09 0.00 -0.61 0.00 0.00 39.78 38.37 3dll n ASN 57 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dll s VAL 58 N -2.46 -0.56 0.00 2.41 1.01 0.06 -4.84 120.40 116.03 3dll s VAL 58 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3dll s VAL 58 Cb -0.22 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3dll s VAL 58 CO 0.63 -0.10 0.00 -0.81 0.00 0.00 0.00 175.10 174.82 3dll n PRO 59 N 5.36 1.87 0.19 2.72 -0.04 -1.26 -0.84 135.00 143.00 3dll n PRO 59 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3dll n PRO 59 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3dll n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dll n GLY 60 N 0.00 -1.39 0.49 0.55 0.00 -1.26 -3.27 105.19 100.30 3dll n GLY 60 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3dll n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dll n LYS 61 N -3.32 -0.56 0.00 1.61 4.81 -1.25 -4.69 118.16 114.76 3dll n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3dll n LYS 61 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3dll n LYS 61 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3dll n ARG 62 N -0.10 1.41 0.00 1.64 1.85 -1.26 -4.62 116.66 115.57 3dll n ARG 62 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3dll n ARG 62 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3dll n ARG 62 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3dll n LYS 63 N 0.00 0.00 0.00 2.89 3.00 -1.26 -3.32 118.16 119.47 3dll n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dll n LYS 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3dll n LYS 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3dll n ARG 64 N -0.72 0.00 -4.09 1.64 1.74 -1.26 -4.95 116.66 109.01 3dll n ARG 64 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3dll n ARG 64 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3dll n ARG 64 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3dll s VAL 65 N 0.62 0.00 0.00 1.55 -7.23 -1.26 -5.03 120.40 109.05 3dll s VAL 65 Ca 0.00 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3dll s VAL 65 Cb 0.00 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3dll s VAL 65 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3dll n GLY 66 N -0.50 3.21 0.00 2.32 0.00 -1.26 -4.65 105.19 104.31 3dll n GLY 66 Ca 0.01 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.15 3dll n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dll n ARG 67 N -0.80 0.40 -3.31 1.61 5.12 -1.26 -4.42 116.66 114.01 3dll n ARG 67 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3dll n ARG 67 Cb 0.00 -1.40 -0.08 0.00 -1.16 0.00 0.00 32.46 29.82 3dll n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3dll s PHE 68 N -2.00 3.18 0.21 -1.55 2.99 -1.26 -5.07 117.98 114.48 3dll s PHE 68 Ca 0.15 -0.09 -0.08 0.00 0.00 0.00 0.00 56.93 56.91 3dll s PHE 68 Cb 0.07 -2.87 -0.07 0.00 0.00 0.00 0.00 43.02 40.15 3dll s PHE 68 CO 0.12 -0.59 0.51 0.96 -0.00 0.00 0.00 175.22 176.22 3dll s ILE 69 N 2.22 4.98 0.26 0.64 -5.25 -1.26 -4.77 121.20 118.03 3dll s ILE 69 Ca 0.15 0.37 -0.11 0.00 -0.99 0.00 0.00 60.65 60.07 3dll s ILE 69 Cb -0.16 -3.62 -0.09 0.00 2.95 0.00 0.00 42.46 41.54 3dll s ILE 69 CO 0.13 -0.06 -0.03 0.61 -1.79 0.00 0.00 174.94 173.81 3dll n GLY 70 N -0.12 -1.72 3.25 6.27 0.00 -1.21 -4.97 105.19 106.70 3dll n GLY 70 Ca -0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3dll n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dll s GLN 71 N -0.56 3.08 0.46 1.61 0.74 -1.24 -4.89 119.66 118.87 3dll s GLN 71 Ca 0.32 -0.84 -0.23 0.00 0.05 0.00 0.00 55.36 54.66 3dll s GLN 71 Cb -0.31 -2.35 -0.09 0.00 1.10 0.00 0.00 33.01 31.36 3dll s GLN 71 CO 0.37 0.20 1.00 0.54 -0.55 0.00 0.00 175.29 176.84 3dll n ARG 72 N 3.48 1.26 -0.03 1.67 5.12 -1.26 -3.75 116.66 123.16 3dll n ARG 72 Ca -0.19 0.46 -0.03 0.00 -1.93 0.00 0.00 57.85 56.16 3dll n ARG 72 Cb 0.53 -2.08 -0.03 0.00 -1.16 0.00 0.00 32.46 29.72 3dll n ARG 72 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dll n ASN 73 N 0.22 3.65 -0.53 0.55 3.02 -1.26 -4.71 115.26 116.20 3dll n ASN 73 Ca 0.10 -0.02 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 3dll n ASN 73 Cb 0.41 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 3dll n ASN 73 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dll n ASP 74 N -2.58 -3.18 0.00 6.41 8.00 -1.20 -4.94 116.55 119.04 3dll n ASP 74 Ca -0.09 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3dll n ASP 74 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3dll n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dll n ARG 75 N -2.95 -1.48 -1.27 -1.24 1.74 -0.02 -4.91 116.66 106.52 3dll n ARG 75 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 3dll n ARG 75 Cb 0.25 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 3dll n ARG 75 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3dll n LYS 76 N -0.02 0.26 0.00 5.56 4.81 -1.26 -0.76 118.16 126.75 3dll n LYS 76 Ca 0.00 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 56.56 3dll n LYS 76 Cb 0.00 0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.52 3dll n LYS 76 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3dll n LYS 77 N -0.29 0.00 -4.93 1.64 4.81 -1.26 -4.12 118.16 114.01 3dll n LYS 77 Ca -0.22 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.90 3dll n LYS 77 Cb 0.67 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.58 3dll n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dll s ALA 78 N 0.00 2.53 -0.19 3.14 0.00 0.66 -2.88 121.76 125.03 3dll s ALA 78 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 3dll s ALA 78 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.18 3dll s ALA 78 CO 0.00 0.40 0.03 0.42 0.00 0.00 0.00 175.76 176.62 3dll s ILE 79 N -0.18 0.50 0.20 0.00 1.09 0.17 0.17 121.20 123.15 3dll s ILE 79 Ca -0.01 -0.51 0.10 0.00 -1.10 0.00 0.00 60.65 59.13 3dll s ILE 79 Cb -0.13 -0.99 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 3dll s ILE 79 CO 0.03 -0.18 -0.12 0.54 -0.10 0.00 0.00 174.94 175.11 3dll s VAL 80 N 1.87 3.01 -0.11 2.92 0.11 0.10 -2.12 120.40 126.18 3dll s VAL 80 Ca -0.00 -1.81 0.01 0.00 -2.93 0.00 0.00 61.98 57.24 3dll s VAL 80 Cb -0.17 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 3dll s VAL 80 CO -0.08 -0.16 -0.14 -0.60 -3.33 0.00 0.00 175.10 170.79 3dll s ARG 81 N -2.95 2.08 0.88 1.54 3.00 -1.00 -0.31 118.95 122.20 3dll s ARG 81 Ca 0.25 -0.50 -0.13 0.00 -1.00 0.00 0.00 55.73 54.35 3dll s ARG 81 Cb -0.08 -1.81 0.15 0.00 0.00 0.00 0.00 34.95 33.21 3dll s ARG 81 CO 0.15 -0.09 1.24 -0.51 0.00 0.00 0.00 175.30 176.08 3dll s LEU 82 N 1.09 2.68 1.06 -0.88 1.43 -1.25 -2.56 118.68 120.25 3dll s LEU 82 Ca -0.05 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 3dll s LEU 82 Cb -0.14 -2.61 0.23 0.00 0.03 0.00 0.00 46.19 43.69 3dll s LEU 82 CO -0.03 -2.36 1.19 0.00 0.23 0.00 0.00 176.35 175.39 3dll s ALA 83 N -3.70 1.41 0.22 4.21 0.00 -1.26 -4.49 121.76 118.15 3dll s ALA 83 Ca 0.69 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 3dll s ALA 83 Cb -0.06 -2.88 0.23 0.00 0.00 0.00 0.00 23.12 20.41 3dll s ALA 83 CO 0.51 -2.92 1.48 -1.91 0.00 0.00 0.00 175.76 172.92 3dll n GLU 84 N -4.21 -0.22 -1.77 0.00 4.07 -1.26 -3.25 120.64 114.00 3dll n GLU 84 Ca 0.12 1.47 -0.24 0.00 -0.06 0.00 0.00 57.16 58.45 3dll n GLU 84 Cb 0.59 -2.18 -0.05 0.00 -0.06 0.00 0.00 31.44 29.74 3dll n GLU 84 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3dll s GLY 85 N -3.54 -0.33 0.00 8.31 0.00 -1.26 -4.86 107.32 105.64 3dll s GLY 85 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3dll s GLY 85 CO 0.68 3.89 0.00 -1.06 0.00 0.00 0.00 173.10 176.62 3dll n GLN 86 N 8.91 1.20 -0.24 2.90 6.02 -1.20 -5.02 117.38 129.96 3dll n GLN 86 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3dll n GLN 86 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 3dll n GLN 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dll n SER 87 N 0.00 0.00 -3.81 1.08 3.41 -1.26 -5.00 113.62 108.04 3dll n SER 87 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3dll n SER 87 Cb 0.00 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.18 3dll n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3dll s ILE 88 N -1.48 0.11 0.00 -1.33 -5.25 -1.26 -5.11 121.20 106.88 3dll s ILE 88 Ca 0.00 -1.04 0.00 0.00 -0.99 0.00 0.00 60.65 58.62 3dll s ILE 88 Cb 0.00 -1.38 0.00 0.00 2.95 0.00 0.00 42.46 44.03 3dll s ILE 88 CO 0.00 -0.48 0.00 -0.62 -1.79 0.00 0.00 174.94 172.05 3dll n GLU 89 N -0.14 0.00 0.04 0.37 1.02 -1.26 -3.92 120.64 116.76 3dll n GLU 89 Ca -0.14 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3dll n GLU 89 Cb 0.63 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.07 3dll n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dll n ALA 90 N 0.00 3.11 1.43 0.62 0.00 -1.26 -3.24 120.51 121.18 3dll n ALA 90 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.19 3dll n ALA 90 Cb 0.00 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.09 3dll n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dll n LEU 91 N -2.15 0.00 0.00 0.00 7.99 -1.26 -3.68 117.00 117.90 3dll n LEU 91 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 3dll n LEU 91 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 3dll n LEU 91 CO 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.28 3dll n ALA 92 N -0.97 0.00 -1.63 -1.18 0.00 -1.20 -4.48 120.51 111.05 3dll n ALA 92 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3dll n ALA 92 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 3dll n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dll s GLY 93 N 0.00 -0.46 0.00 0.00 0.00 -1.24 -5.09 107.32 100.52 3dll s GLY 93 Ca 0.00 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.64 3dll s GLY 93 CO 0.00 4.07 1.46 -1.06 0.00 0.00 0.00 173.10 177.57