#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr n SER 2 N 0.00 -0.28 -3.76 1.61 7.64 -1.26 -5.18 113.62 112.39 2ctr n SER 2 Ca 0.00 -2.99 -0.08 0.00 1.01 0.00 0.00 58.87 56.82 2ctr n SER 2 Cb 0.00 1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 64.59 2ctr n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ctr s SER 3 N -3.15 -0.19 -0.18 6.43 0.01 -1.26 -5.08 113.70 110.28 2ctr s SER 3 Ca 0.33 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 2ctr s SER 3 Cb 0.02 0.73 0.01 0.00 0.21 0.00 0.00 66.02 66.98 2ctr s SER 3 CO 0.23 -1.36 0.03 0.61 0.41 0.00 0.00 173.24 173.16 2ctr n GLY 4 N -0.46 -3.93 0.36 3.44 0.00 -1.26 -4.66 105.19 98.68 2ctr n GLY 4 Ca -0.04 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.40 2ctr n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctr h SER 5 N 2.07 -1.01 0.01 1.61 0.87 -2.05 -2.09 113.55 112.96 2ctr h SER 5 Ca -0.08 0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2ctr h SER 5 Cb 0.18 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2ctr h SER 5 CO 0.05 -0.32 -0.60 0.77 -0.53 0.00 0.00 176.83 176.21 2ctr h SER 6 N -0.00 0.03 0.00 6.23 4.64 -2.04 -3.50 113.55 118.91 2ctr h SER 6 Ca 0.44 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2ctr h SER 6 Cb 0.69 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2ctr h SER 6 CO -1.00 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2ctr n GLY 7 N 1.55 0.90 3.62 -0.77 0.00 -0.79 -4.66 105.19 105.05 2ctr n GLY 7 Ca -0.20 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 2ctr n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctr s SER 8 N -4.00 4.25 0.09 1.61 0.01 -1.26 -5.01 113.70 109.39 2ctr s SER 8 Ca 0.00 -0.88 -0.33 0.00 1.31 0.00 0.00 55.95 56.05 2ctr s SER 8 Cb 0.00 -0.60 -0.14 0.00 0.21 0.00 0.00 66.02 65.48 2ctr s SER 8 CO 0.00 -0.15 1.59 1.88 0.41 0.00 0.00 173.24 176.97 2ctr h TYR 9 N 1.86 -1.16 -1.72 2.43 0.05 -1.93 -1.11 116.97 115.39 2ctr h TYR 9 Ca -0.43 0.01 0.51 0.00 0.05 0.00 0.00 58.73 58.87 2ctr h TYR 9 Cb 1.25 0.46 -0.09 0.00 1.01 0.00 0.00 36.73 39.36 2ctr h TYR 9 CO 0.70 -0.57 1.21 1.88 -1.05 0.00 0.00 178.16 180.33 2ctr h TYR 10 N -0.84 0.12 0.07 4.88 0.05 -1.92 0.70 116.97 120.04 2ctr h TYR 10 Ca -0.03 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 2ctr h TYR 10 Cb 0.75 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 38.48 2ctr h TYR 10 CO -0.24 -0.05 -0.45 -0.44 -1.05 0.00 0.00 178.16 175.93 2ctr h ASP 11 N 0.02 0.24 -0.41 3.88 3.32 -1.48 0.11 116.42 122.10 2ctr h ASP 11 Ca 0.86 -0.97 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2ctr h ASP 11 Cb 3.30 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 42.75 2ctr h ASP 11 CO -0.11 1.21 0.25 0.40 -1.72 0.00 0.00 179.24 179.27 2ctr h ILE 12 N -0.67 1.13 0.02 0.35 2.04 0.13 -2.86 117.51 117.65 2ctr h ILE 12 Ca -0.08 -0.29 -0.22 0.00 1.00 0.00 0.00 64.86 65.27 2ctr h ILE 12 Cb 1.34 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2ctr h ILE 12 CO 0.08 0.13 -0.95 -0.07 0.00 0.00 0.00 178.15 177.33 2ctr h LEU 13 N 0.54 0.32 -0.27 1.44 3.38 -0.75 -3.48 115.31 116.49 2ctr h LEU 13 Ca 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ctr h LEU 13 Cb -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2ctr h LEU 13 CO -0.03 1.11 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2ctr n GLY 14 N 1.02 1.06 3.42 0.83 0.00 -0.18 -4.64 105.19 106.70 2ctr n GLY 14 Ca -0.05 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2ctr n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctr s VAL 15 N -2.27 2.31 0.77 1.61 -7.23 0.22 -5.01 120.40 110.79 2ctr s VAL 15 Ca 0.00 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 2ctr s VAL 15 Cb 0.00 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.86 2ctr s VAL 15 CO 0.00 -0.24 1.09 -2.16 -0.31 0.00 0.00 175.10 173.49 2ctr s PRO 16 N -2.96 2.28 0.58 4.82 0.04 -1.26 -4.53 135.00 133.98 2ctr s PRO 16 Ca 0.23 1.18 0.28 0.00 0.04 0.00 0.00 61.00 62.73 2ctr s PRO 16 Cb -0.07 -1.90 1.75 0.00 0.04 0.00 0.00 34.50 34.32 2ctr s PRO 16 CO 0.11 -1.63 2.23 0.87 0.04 0.00 0.00 177.00 178.63 2ctr h LYS 17 N -1.07 0.00 -0.34 4.56 1.79 -2.01 -0.82 116.57 118.69 2ctr h LYS 17 Ca -0.44 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.93 2ctr h LYS 17 Cb 1.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 2ctr h LYS 17 CO 0.51 0.01 0.01 0.45 -1.08 0.00 0.00 179.45 179.36 2ctr n SER 18 N -3.89 3.34 -4.77 0.86 2.88 -1.26 -5.01 113.62 105.77 2ctr n SER 18 Ca -0.03 -3.35 -0.41 0.00 -1.33 0.00 0.00 58.87 53.75 2ctr n SER 18 Cb 0.10 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ctr s ALA 19 N -3.02 3.62 0.50 -1.46 0.00 -0.31 -4.99 121.76 116.09 2ctr s ALA 19 Ca 0.44 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 2ctr s ALA 19 Cb 0.38 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2ctr s ALA 19 CO 0.05 -1.05 0.87 0.45 0.00 0.00 0.00 175.76 176.09 2ctr s SER 20 N 0.02 6.37 0.34 0.00 0.15 -1.26 -4.81 113.70 114.52 2ctr s SER 20 Ca 0.55 1.20 0.15 0.00 0.70 0.00 0.00 55.95 58.55 2ctr s SER 20 Cb -0.47 -2.36 1.11 0.00 -1.71 0.00 0.00 66.02 62.59 2ctr s SER 20 CO 0.60 -0.60 1.64 -0.08 1.20 0.00 0.00 173.24 175.99 2ctr h GLU 21 N 0.47 0.22 -0.38 5.44 4.81 -1.94 0.54 114.58 123.74 2ctr h GLU 21 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2ctr h GLU 21 Cb 1.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2ctr h GLU 21 CO 0.62 0.15 0.18 -0.09 -0.73 0.00 0.00 179.01 179.14 2ctr h ARG 22 N 0.23 0.54 -0.68 1.92 9.65 -1.97 0.14 114.38 124.22 2ctr h ARG 22 Ca 0.74 -0.08 -0.08 0.00 -1.10 0.00 0.00 59.98 59.47 2ctr h ARG 22 Cb 1.76 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 30.21 2ctr h ARG 22 CO -0.66 0.48 0.12 1.96 2.80 0.00 0.00 179.97 184.67 2ctr h GLN 23 N 0.47 1.11 0.16 0.20 7.50 -0.37 -0.88 115.11 123.30 2ctr h GLN 23 Ca 0.13 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.98 2ctr h GLN 23 Cb 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.51 2ctr h GLN 23 CO -0.02 1.01 -0.08 0.82 -1.50 0.00 0.00 178.83 179.07 2ctr h ILE 24 N 1.04 0.98 -0.58 2.54 2.04 -0.77 0.23 117.51 122.99 2ctr h ILE 24 Ca 0.21 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.32 2ctr h ILE 24 Cb 0.43 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2ctr h ILE 24 CO 0.01 0.18 0.31 0.11 0.00 0.00 0.00 178.15 178.76 2ctr h LYS 25 N -0.61 0.57 0.10 2.37 1.57 -0.70 0.14 116.57 120.00 2ctr h LYS 25 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2ctr h LYS 25 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2ctr h LYS 25 CO 0.04 0.38 -0.05 0.87 -0.57 0.00 0.00 179.45 180.12 2ctr h LYS 26 N 0.59 -0.12 -0.98 3.15 1.79 -1.17 0.22 116.57 120.03 2ctr h LYS 26 Ca 0.26 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.86 2ctr h LYS 26 Cb 0.16 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 2ctr h LYS 26 CO -0.17 0.27 0.62 0.00 -1.08 0.00 0.00 179.45 179.10 2ctr h ALA 27 N 0.28 1.57 0.04 3.86 0.00 -0.33 -2.11 119.26 122.57 2ctr h ALA 27 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ctr h ALA 27 Cb 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ctr h ALA 27 CO 0.02 0.19 -0.02 0.35 0.00 0.00 0.00 179.25 179.79 2ctr h PHE 28 N 0.95 -0.05 -0.70 0.00 3.57 -0.69 -3.14 116.94 116.88 2ctr h PHE 28 Ca 0.48 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.05 2ctr h PHE 28 Cb 0.51 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 2ctr h PHE 28 CO -0.00 0.62 -0.57 0.45 -2.23 0.00 0.00 178.31 176.58 2ctr h HIS 29 N -0.84 -1.78 -0.73 0.41 3.86 -0.25 0.27 115.15 116.10 2ctr h HIS 29 Ca -0.01 0.11 0.14 0.00 -1.16 0.00 0.00 60.37 59.45 2ctr h HIS 29 Cb 0.69 0.87 -0.09 0.00 1.06 0.00 0.00 27.41 29.94 2ctr h HIS 29 CO 0.17 -0.42 0.27 1.57 0.86 0.00 0.00 177.93 180.38 2ctr h LYS 30 N -0.19 0.40 0.48 2.45 2.10 -1.53 -2.57 116.57 117.71 2ctr h LYS 30 Ca 0.12 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.72 2ctr h LYS 30 Cb 0.49 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2ctr h LYS 30 CO -0.76 0.27 -0.23 -0.07 -2.00 0.00 0.00 179.45 176.65 2ctr h LEU 31 N 0.41 -0.55 -0.99 7.07 3.38 -0.64 -2.54 115.31 121.45 2ctr h LEU 31 Ca 0.40 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.76 2ctr h LEU 31 Cb 0.60 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 2ctr h LEU 31 CO -0.40 -0.39 0.60 0.00 0.09 0.00 0.00 178.44 178.34 2ctr n ALA 32 N -2.32 1.00 -0.10 1.53 0.00 0.64 0.23 120.51 121.49 2ctr n ALA 32 Ca -0.08 0.77 -0.12 0.00 0.00 0.00 0.00 53.44 54.01 2ctr n ALA 32 Cb 0.25 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 2ctr n ALA 32 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2ctr h MET 33 N 0.00 0.61 -0.56 0.00 2.86 -1.17 1.27 114.93 117.94 2ctr h MET 33 Ca 0.71 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 58.03 2ctr h MET 33 Cb 2.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.73 2ctr h MET 33 CO -0.49 0.83 0.10 -0.22 1.06 0.00 0.00 176.91 178.18 2ctr h LYS 34 N 0.37 0.90 -0.35 1.72 3.64 0.34 -2.80 116.57 120.39 2ctr h LYS 34 Ca 0.07 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2ctr h LYS 34 Cb 0.63 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2ctr h LYS 34 CO 0.04 0.83 0.03 0.66 -2.27 0.00 0.00 179.45 178.74 2ctr n TYR 35 N -4.24 1.21 -2.04 1.91 4.01 -0.31 -4.82 117.16 112.88 2ctr n TYR 35 Ca 0.04 -1.10 -0.41 0.00 -0.16 0.00 0.00 57.90 56.27 2ctr n TYR 35 Cb 0.26 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 2ctr n TYR 35 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2ctr s HIS 36 N -2.96 2.99 0.23 -0.72 2.46 0.44 -4.22 115.29 113.51 2ctr s HIS 36 Ca 0.45 1.22 0.23 0.00 0.47 0.00 0.00 55.06 57.42 2ctr s HIS 36 Cb 0.37 -3.77 0.98 0.00 -0.13 0.00 0.00 32.58 30.03 2ctr s HIS 36 CO 0.07 -2.32 1.86 -1.00 -2.47 0.00 0.00 174.74 170.89 2ctr h PRO 37 N 4.12 0.00 0.00 2.88 0.13 -1.82 0.84 132.00 138.15 2ctr h PRO 37 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2ctr h PRO 37 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2ctr h PRO 37 CO 0.71 0.25 -0.53 0.22 -0.23 0.00 0.00 178.00 178.42 2ctr h ASP 38 N 0.00 0.00 -0.47 1.44 1.82 -1.95 -3.38 116.42 113.88 2ctr h ASP 38 Ca -0.00 -0.63 -0.10 0.00 -0.39 0.00 0.00 57.03 55.91 2ctr h ASP 38 Cb 0.68 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 2ctr h ASP 38 CO 0.03 1.12 -0.10 0.11 -1.61 0.00 0.00 179.24 178.79 2ctr h LYS 39 N -1.00 0.89 -5.93 0.28 1.79 -1.88 -3.42 116.57 107.30 2ctr h LYS 39 Ca -0.14 -0.33 -0.58 0.00 -2.18 0.00 0.00 60.65 57.43 2ctr h LYS 39 Cb 0.98 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.51 2ctr h LYS 39 CO -0.08 0.98 0.29 1.21 -1.08 0.00 0.00 179.45 180.77 2ctr s ASN 40 N -6.49 6.94 -0.09 0.86 3.84 0.29 -4.93 114.94 115.35 2ctr s ASN 40 Ca -0.12 1.14 0.10 0.00 0.21 0.00 0.00 52.86 54.19 2ctr s ASN 40 Cb 0.11 -2.43 0.45 0.00 -0.55 0.00 0.00 41.25 38.83 2ctr s ASN 40 CO 0.84 -0.32 1.28 2.29 -2.79 0.00 0.00 177.10 178.39 2ctr n LYS 41 N 4.88 2.86 -3.96 0.43 2.85 -1.26 -4.62 118.16 119.33 2ctr n LYS 41 Ca 0.03 -1.78 -0.33 0.00 -1.05 0.00 0.00 58.31 55.18 2ctr n LYS 41 Cb 0.49 -1.73 -0.05 0.00 -0.65 0.00 0.00 35.03 33.09 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2ctr s SER 42 N -0.66 6.15 0.04 -5.58 1.04 -1.26 -5.03 113.70 108.40 2ctr s SER 42 Ca 0.32 0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.80 2ctr s SER 42 Cb 0.21 -1.87 -0.14 0.00 0.10 0.00 0.00 66.02 64.33 2ctr s SER 42 CO 0.13 0.24 1.35 1.55 0.98 0.00 0.00 173.24 177.49 2ctr h PRO 43 N 3.69 0.38 -0.75 4.02 0.13 -1.99 -3.17 132.00 134.31 2ctr h PRO 43 Ca -0.48 -0.20 0.06 0.00 -0.87 0.00 0.00 66.00 64.51 2ctr h PRO 43 Cb 1.18 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2ctr h PRO 43 CO 0.69 0.76 0.49 -0.44 -0.23 0.00 0.00 178.00 179.27 2ctr h ASP 44 N 0.02 0.71 -0.50 1.44 5.19 -1.99 -2.77 116.42 118.52 2ctr h ASP 44 Ca 0.02 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2ctr h ASP 44 Cb 0.69 -0.15 -0.10 0.00 0.18 0.00 0.00 39.33 39.95 2ctr h ASP 44 CO 0.04 0.46 -0.43 0.00 -3.12 0.00 0.00 179.24 176.20 2ctr h ALA 45 N 1.59 -0.36 -0.97 3.45 0.00 -1.89 0.18 119.26 121.27 2ctr h ALA 45 Ca 0.32 0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.58 2ctr h ALA 45 Cb 0.22 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2ctr h ALA 45 CO -0.11 -0.84 0.52 1.49 0.00 0.00 0.00 179.25 180.32 2ctr h GLU 46 N -0.27 0.45 0.21 0.00 4.81 -1.61 -0.44 114.58 117.73 2ctr h GLU 46 Ca 0.16 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2ctr h GLU 46 Cb 0.57 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2ctr h GLU 46 CO -0.64 0.30 -0.10 0.00 -0.73 0.00 0.00 179.01 177.84 2ctr h ALA 47 N 1.75 -0.29 -0.46 2.92 0.00 -0.77 -2.74 119.26 119.68 2ctr h ALA 47 Ca 0.64 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.50 2ctr h ALA 47 Cb 1.27 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 2ctr h ALA 47 CO -0.53 -0.57 -0.31 0.87 0.00 0.00 0.00 179.25 178.72 2ctr h LYS 48 N -0.48 -0.20 -0.64 0.00 1.79 -0.02 0.32 116.57 117.34 2ctr h LYS 48 Ca -0.03 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.60 2ctr h LYS 48 Cb 0.36 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 2ctr h LYS 48 CO 0.05 -0.13 0.44 0.35 -1.08 0.00 0.00 179.45 179.07 2ctr h PHE 49 N -0.21 0.25 -0.02 -1.35 3.57 -1.37 0.21 116.94 118.03 2ctr h PHE 49 Ca 0.20 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2ctr h PHE 49 Cb 0.53 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2ctr h PHE 49 CO -0.56 0.10 0.06 -0.09 -2.23 0.00 0.00 178.31 175.59 2ctr h ARG 50 N 0.22 0.00 0.01 1.11 9.65 -0.03 0.17 114.38 125.51 2ctr h ARG 50 Ca 0.31 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.83 2ctr h ARG 50 Cb 0.90 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.41 2ctr h ARG 50 CO -0.06 0.00 -2.21 -0.85 2.80 0.00 0.00 179.97 179.65 2ctr n GLU 51 N -3.28 0.67 -0.02 0.20 0.28 0.71 -4.02 120.64 115.18 2ctr n GLU 51 Ca -0.02 0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 2ctr n GLU 51 Cb 0.13 -1.60 -0.10 0.00 1.43 0.00 0.00 31.44 31.30 2ctr n GLU 51 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2ctr h ILE 52 N 0.00 1.42 0.44 3.84 2.04 -0.86 -2.83 117.51 121.56 2ctr h ILE 52 Ca -0.48 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2ctr h ILE 52 Cb 2.14 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 40.43 2ctr h ILE 52 CO 0.03 0.34 -0.51 0.00 0.00 0.00 0.00 178.15 178.01 2ctr h ALA 53 N 0.48 -1.12 -0.97 1.87 0.00 -1.23 -1.20 119.26 117.10 2ctr h ALA 53 Ca 0.00 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.97 2ctr h ALA 53 Cb 0.56 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 2ctr h ALA 53 CO 0.01 -1.18 0.53 1.49 0.00 0.00 0.00 179.25 180.10 2ctr h GLU 54 N -0.97 0.52 -0.57 0.00 4.57 -1.70 0.19 114.58 116.62 2ctr h GLU 54 Ca -0.05 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2ctr h GLU 54 Cb 0.86 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2ctr h GLU 54 CO -0.10 0.34 0.30 0.00 -1.18 0.00 0.00 179.01 178.37 2ctr h ALA 55 N 1.72 0.73 0.21 2.92 0.00 -1.12 -3.15 119.26 120.57 2ctr h ALA 55 Ca 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2ctr h ALA 55 Cb 1.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ctr h ALA 55 CO -0.49 0.26 -0.10 -0.92 0.00 0.00 0.00 179.25 178.01 2ctr h TYR 56 N 0.77 -0.26 -0.72 0.00 3.20 0.44 -2.96 116.97 117.44 2ctr h TYR 56 Ca 0.20 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.23 2ctr h TYR 56 Cb 0.07 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 38.29 2ctr h TYR 56 CO -0.01 0.10 -0.11 0.39 -1.64 0.00 0.00 178.16 176.89 2ctr n GLU 57 N -5.04 -0.06 -0.14 1.82 1.02 0.18 0.22 120.64 118.63 2ctr n GLU 57 Ca -0.09 1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 58.04 2ctr n GLU 57 Cb 0.25 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 2ctr n GLU 57 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ctr h THR 58 N 0.00 1.28 -0.37 2.62 2.02 -1.55 -2.75 112.91 114.15 2ctr h THR 58 Ca 0.38 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2ctr h THR 58 Cb 0.66 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2ctr h THR 58 CO -0.72 0.44 0.00 0.18 0.37 0.00 0.00 175.52 175.79 2ctr n LEU 59 N -4.23 2.81 -0.12 2.58 4.77 0.59 -0.56 117.00 122.84 2ctr n LEU 59 Ca -0.01 -1.42 -0.23 0.00 -0.03 0.00 0.00 56.01 54.32 2ctr n LEU 59 Cb 0.42 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2ctr n LEU 59 CO 0.45 0.51 -0.90 -0.24 -1.33 0.00 0.00 177.39 175.88 2ctr n SER 60 N 0.55 1.90 -2.98 -1.43 2.88 0.59 -4.85 113.62 110.28 2ctr n SER 60 Ca 0.14 0.40 -0.15 0.00 -1.33 0.00 0.00 58.87 57.93 2ctr n SER 60 Cb 0.53 -0.89 0.11 0.00 -0.75 0.00 0.00 64.21 63.21 2ctr n SER 60 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ctr n ASP 61 N -4.37 -0.43 -0.03 -3.46 2.03 -1.22 -4.99 116.55 104.08 2ctr n ASP 61 Ca -0.39 -1.12 -0.02 0.00 0.52 0.00 0.00 54.79 53.78 2ctr n ASP 61 Cb 0.73 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.61 2ctr n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ctr n ALA 62 N -3.59 0.22 -0.18 -1.67 0.00 -1.26 -3.75 120.51 110.28 2ctr n ALA 62 Ca -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 2ctr n ALA 62 Cb 0.29 0.01 0.08 0.00 0.00 0.00 0.00 19.45 19.83 2ctr n ALA 62 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ctr h ASN 63 N -0.37 0.28 0.04 0.00 2.35 -1.97 0.25 115.58 116.16 2ctr h ASN 63 Ca 0.00 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2ctr h ASN 63 Cb 0.25 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 2ctr h ASN 63 CO 0.00 0.18 -0.22 0.03 -1.65 0.00 0.00 177.43 175.78 2ctr h ARG 64 N 0.44 -0.35 -0.41 0.81 3.08 -1.81 0.36 114.38 116.50 2ctr h ARG 64 Ca 0.26 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 2ctr h ARG 64 Cb 0.26 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2ctr h ARG 64 CO -0.24 -0.23 0.01 -0.09 -1.07 0.00 0.00 179.97 178.35 2ctr h ARG 65 N -0.36 0.65 -0.81 0.04 1.12 -0.40 -0.90 114.38 113.71 2ctr h ARG 65 Ca 0.05 -0.15 -0.04 0.00 -1.11 0.00 0.00 59.98 58.72 2ctr h ARG 65 Cb 0.42 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.26 2ctr h ARG 65 CO -0.17 0.66 0.34 -0.22 -3.11 0.00 0.00 179.97 177.47 2ctr h LYS 66 N 0.62 1.20 -0.05 0.20 3.64 0.16 -1.68 116.57 120.66 2ctr h LYS 66 Ca 0.13 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2ctr h LYS 66 Cb 0.37 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2ctr h LYS 66 CO 0.01 0.96 -0.35 0.93 -2.27 0.00 0.00 179.45 178.73 2ctr h GLU 67 N 1.17 0.33 0.00 1.90 5.08 -0.60 0.23 114.58 122.70 2ctr h GLU 67 Ca 0.27 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ctr h GLU 67 Cb 0.20 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ctr h GLU 67 CO -0.02 0.94 0.00 0.98 -1.00 0.00 0.00 179.01 179.91 2ctr n TYR 68 N -4.40 0.45 -0.08 4.33 9.36 -0.38 0.04 117.16 126.49 2ctr n TYR 68 Ca -0.09 0.21 -0.10 0.00 3.32 0.00 0.00 57.90 61.25 2ctr n TYR 68 Cb 0.53 -0.84 -0.10 0.00 -0.63 0.00 0.00 39.34 38.30 2ctr n TYR 68 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2ctr n ASP 69 N -1.94 2.12 0.17 2.98 2.03 -0.64 -3.12 116.55 118.14 2ctr n ASP 69 Ca 0.00 -0.05 0.06 0.00 0.52 0.00 0.00 54.79 55.32 2ctr n ASP 69 Cb 0.09 0.25 0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2ctr n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ctr h THR 70 N 0.00 0.57 0.00 5.18 1.03 -0.07 -3.37 112.91 116.25 2ctr h THR 70 Ca -0.39 -1.79 -0.37 0.00 -0.01 0.00 0.00 66.41 63.85 2ctr h THR 70 Cb 1.73 2.27 -0.06 0.00 -1.07 0.00 0.00 68.15 71.03 2ctr h THR 70 CO -0.02 0.32 -2.26 0.18 -0.01 0.00 0.00 175.52 173.74 2ctr n LEU 71 N -3.19 1.83 0.00 0.00 4.77 0.11 -5.05 117.00 115.47 2ctr n LEU 71 Ca 0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2ctr n LEU 71 Cb 0.66 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2ctr n LEU 71 CO 0.38 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2ctr n GLY 72 N 1.73 2.69 0.07 -0.72 0.00 -1.18 -4.38 105.19 103.41 2ctr n GLY 72 Ca -0.43 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.35 2ctr n GLY 72 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ctr h HIS 73 N 0.00 0.11 0.00 1.61 2.76 -1.94 0.56 115.15 118.25 2ctr h HIS 73 Ca 0.00 -0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 2ctr h HIS 73 Cb 0.00 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2ctr h HIS 73 CO 0.00 0.36 -0.65 0.66 -1.30 0.00 0.00 177.93 177.00 2ctr h SER 74 N -0.16 0.00 0.05 3.26 4.64 -1.92 -2.93 113.55 116.49 2ctr h SER 74 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ctr h SER 74 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2ctr h SER 74 CO 0.00 0.65 -0.02 0.00 -0.87 0.00 0.00 176.83 176.59 2ctr h ALA 75 N 1.35 -0.07 -1.00 5.18 0.00 -1.74 -3.35 119.26 119.63 2ctr h ALA 75 Ca -0.01 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.15 2ctr h ALA 75 Cb 1.28 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 2ctr h ALA 75 CO 0.08 -0.07 0.57 0.35 0.00 0.00 0.00 179.25 180.19 2ctr h PHE 76 N -0.80 0.96 -0.25 0.00 3.04 -0.01 -0.68 116.94 119.21 2ctr h PHE 76 Ca -0.01 0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.74 2ctr h PHE 76 Cb 0.05 -0.27 -0.09 0.00 2.56 0.00 0.00 35.95 38.20 2ctr h PHE 76 CO 0.00 -0.01 -0.14 0.25 -2.02 0.00 0.00 178.31 176.40 2ctr n THR 77 N -4.94 2.95 -2.22 4.41 -2.24 -1.10 -4.20 114.28 106.93 2ctr n THR 77 Ca 0.28 -1.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.21 2ctr n THR 77 Cb 0.80 -1.82 0.05 0.00 -2.10 0.00 0.00 70.33 67.25 2ctr n THR 77 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ctr n SER 78 N 1.93 3.45 -4.72 3.42 7.64 -0.26 -4.95 113.62 120.13 2ctr n SER 78 Ca 0.39 -3.20 -0.26 0.00 1.01 0.00 0.00 58.87 56.80 2ctr n SER 78 Cb 0.78 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.50 2ctr n SER 78 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctr s GLY 79 N -3.53 2.45 0.07 0.23 0.00 -1.26 -5.13 107.32 100.15 2ctr s GLY 79 Ca 0.42 -1.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.16 2ctr s GLY 79 CO -0.01 -1.99 0.05 0.54 0.00 0.00 0.00 173.10 171.69 2ctr s LYS 80 N -3.87 0.73 0.00 2.90 1.02 -1.26 -5.12 119.74 114.13 2ctr s LYS 80 Ca 0.36 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2ctr s LYS 80 Cb 0.05 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2ctr s LYS 80 CO 0.19 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2ctr n GLY 81 N 0.03 -0.23 3.62 -3.33 0.00 -1.26 -5.10 105.19 98.92 2ctr n GLY 81 Ca -0.13 0.56 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 2ctr n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctr s GLN 82 N 1.99 3.86 0.10 1.61 1.11 -1.26 -5.02 119.66 122.05 2ctr s GLN 82 Ca 0.00 0.84 -0.15 0.00 0.01 0.00 0.00 55.36 56.05 2ctr s GLN 82 Cb 0.00 -3.85 -0.07 0.00 -1.01 0.00 0.00 33.01 28.08 2ctr s GLN 82 CO 0.00 -1.19 0.52 0.45 0.01 0.00 0.00 175.29 175.08 2ctr s SER 83 N 2.28 6.88 0.00 5.90 0.15 -1.26 -4.87 113.70 122.78 2ctr s SER 83 Ca 0.49 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2ctr s SER 83 Cb -0.10 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2ctr s SER 83 CO 0.25 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.49 2ctr n GLY 84 N 1.22 0.87 0.22 9.45 0.00 -1.26 -5.01 105.19 110.67 2ctr n GLY 84 Ca -0.08 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 2ctr n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctr h PRO 85 N 0.00 0.51 -2.84 1.61 0.13 -2.06 -3.41 132.00 125.94 2ctr h PRO 85 Ca 0.00 -0.27 -0.47 0.00 -0.87 0.00 0.00 66.00 64.39 2ctr h PRO 85 Cb 0.00 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 30.74 2ctr h PRO 85 CO 0.00 0.85 -0.74 0.45 -0.23 0.00 0.00 178.00 178.33 2ctr s SER 86 N -6.87 2.69 -0.77 1.44 0.15 -1.26 -5.09 113.70 103.99 2ctr s SER 86 Ca -0.07 -0.86 -0.26 0.00 0.70 0.00 0.00 55.95 55.47 2ctr s SER 86 Cb 0.12 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2ctr s SER 86 CO 0.82 -0.39 1.61 -0.44 1.20 0.00 0.00 173.24 176.04 2ctr s SER 87 N 2.16 5.76 0.00 5.45 0.01 -1.26 -5.28 113.70 120.54 2ctr s SER 87 Ca 0.06 -0.39 0.30 0.00 1.31 0.00 0.00 55.95 57.23 2ctr s SER 87 Cb -0.16 -2.55 1.79 0.00 0.21 0.00 0.00 66.02 65.31 2ctr s SER 87 CO -0.22 -2.11 2.12 0.61 0.41 0.00 0.00 173.24 174.06