#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr h SER 2 N 0.00 0.00 -0.36 1.61 0.02 -1.96 -3.40 113.55 109.46 2ctr h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ctr h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2ctr h SER 2 CO 0.00 0.47 0.00 -1.54 -1.14 0.00 0.00 176.83 174.62 2ctr n SER 3 N -4.07 3.17 0.00 3.07 3.41 -1.26 -4.72 113.62 113.22 2ctr n SER 3 Ca -0.02 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2ctr n SER 3 Cb 0.09 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2ctr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctr n GLY 4 N 1.16 0.40 0.00 5.00 0.00 -1.26 -3.20 105.19 107.30 2ctr n GLY 4 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2ctr n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctr n SER 5 N 3.07 0.00 -0.21 1.61 3.41 -1.26 -1.54 113.62 118.70 2ctr n SER 5 Ca 0.00 0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 2ctr n SER 5 Cb 0.00 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 2ctr n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctr n SER 6 N -2.16 -0.53 0.00 4.04 7.64 -1.19 -4.69 113.62 116.73 2ctr n SER 6 Ca 0.00 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2ctr n SER 6 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2ctr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctr n GLY 7 N -1.13 2.78 3.94 0.23 0.00 -0.59 -3.96 105.19 106.47 2ctr n GLY 7 Ca 0.01 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2ctr n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctr s SER 8 N -4.00 6.36 0.16 1.61 0.15 -1.26 -4.99 113.70 111.74 2ctr s SER 8 Ca 0.00 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.75 2ctr s SER 8 Cb 0.00 -1.97 0.06 0.00 -1.71 0.00 0.00 66.02 62.40 2ctr s SER 8 CO 0.00 -0.02 1.63 1.88 1.20 0.00 0.00 173.24 177.93 2ctr h TYR 9 N 1.96 -0.61 -1.82 3.44 0.05 -1.91 0.97 116.97 119.06 2ctr h TYR 9 Ca -0.48 0.04 0.54 0.00 0.05 0.00 0.00 58.73 58.87 2ctr h TYR 9 Cb 1.19 0.32 -0.08 0.00 1.01 0.00 0.00 36.73 39.17 2ctr h TYR 9 CO 0.54 -0.31 1.30 1.88 -1.05 0.00 0.00 178.16 180.52 2ctr h TYR 10 N -0.20 0.06 0.04 4.88 0.05 -1.92 0.63 116.97 120.52 2ctr h TYR 10 Ca 0.17 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.83 2ctr h TYR 10 Cb 0.45 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 2ctr h TYR 10 CO -0.43 -0.03 -0.61 0.22 -1.05 0.00 0.00 178.16 176.26 2ctr h ASP 11 N 0.01 0.13 -0.43 3.88 3.58 -1.06 0.29 116.42 122.82 2ctr h ASP 11 Ca 0.89 -0.87 0.03 0.00 0.42 0.00 0.00 57.03 57.50 2ctr h ASP 11 Cb 3.49 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 44.46 2ctr h ASP 11 CO -0.06 1.26 0.24 0.40 -2.88 0.00 0.00 179.24 178.20 2ctr h ILE 12 N -0.79 1.01 0.07 2.25 2.04 0.60 -2.92 117.51 119.76 2ctr h ILE 12 Ca -0.14 -0.16 -0.28 0.00 1.00 0.00 0.00 64.86 65.27 2ctr h ILE 12 Cb 1.28 0.49 0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2ctr h ILE 12 CO -0.01 0.09 -1.12 -0.07 0.00 0.00 0.00 178.15 177.03 2ctr h LEU 13 N 0.48 0.88 -0.08 1.44 3.38 -0.76 -3.47 115.31 117.17 2ctr h LEU 13 Ca 0.18 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2ctr h LEU 13 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2ctr h LEU 13 CO -0.10 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2ctr n GLY 14 N 1.25 1.31 3.35 0.83 0.00 -0.42 -4.75 105.19 106.76 2ctr n GLY 14 Ca -0.13 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.08 2.00 0.77 1.61 -7.23 -0.04 -5.01 120.40 110.42 2ctr s VAL 15 Ca 0.00 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 2ctr s VAL 15 Cb 0.00 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 35.14 2ctr s VAL 15 CO 0.00 -0.11 1.09 -2.16 -0.31 0.00 0.00 175.10 173.61 2ctr s PRO 16 N -2.36 2.27 0.52 4.82 0.04 -1.26 -4.55 135.00 134.48 2ctr s PRO 16 Ca 0.14 1.18 0.17 0.00 0.04 0.00 0.00 61.00 62.53 2ctr s PRO 16 Cb -0.08 -1.90 1.26 0.00 0.04 0.00 0.00 34.50 33.82 2ctr s PRO 16 CO 0.07 -1.63 2.13 0.87 0.04 0.00 0.00 177.00 178.47 2ctr h LYS 17 N -1.08 0.03 -0.49 4.56 6.56 -2.01 -0.53 116.57 123.62 2ctr h LYS 17 Ca -0.44 -0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.06 2ctr h LYS 17 Cb 1.23 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.83 2ctr h LYS 17 CO 0.51 0.02 0.08 0.45 -2.06 0.00 0.00 179.45 178.45 2ctr n SER 18 N -4.52 4.42 -4.70 0.86 2.88 -1.26 -5.02 113.62 106.28 2ctr n SER 18 Ca -0.01 -3.15 -0.42 0.00 -1.33 0.00 0.00 58.87 53.96 2ctr n SER 18 Cb 0.15 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ctr n ALA 19 N -0.24 1.30 -1.85 -1.46 0.00 -0.21 -4.96 120.51 113.08 2ctr n ALA 19 Ca 0.30 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.71 2ctr n ALA 19 Cb 1.13 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 2ctr n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ctr s SER 20 N -0.42 7.04 0.29 0.00 0.01 -1.26 -4.84 113.70 114.53 2ctr s SER 20 Ca 0.58 1.68 -0.03 0.00 1.31 0.00 0.00 55.95 59.49 2ctr s SER 20 Cb -0.54 -2.53 0.60 0.00 0.21 0.00 0.00 66.02 63.77 2ctr s SER 20 CO 0.60 -0.24 1.54 1.21 0.41 0.00 0.00 173.24 176.77 2ctr n GLU 21 N -0.20 -0.08 -0.31 12.44 2.13 -1.26 0.17 120.64 133.52 2ctr n GLU 21 Ca 0.05 1.51 0.01 0.00 0.66 0.00 0.00 57.16 59.38 2ctr n GLU 21 Cb 0.53 -2.33 0.19 0.00 0.27 0.00 0.00 31.44 30.10 2ctr n GLU 21 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2ctr h ARG 22 N 0.00 1.14 -0.56 5.31 2.43 -1.99 -1.56 114.38 119.15 2ctr h ARG 22 Ca 0.54 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.58 2ctr h ARG 22 Cb 0.97 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2ctr h ARG 22 CO -0.97 0.75 0.14 1.96 -1.51 0.00 0.00 179.97 180.34 2ctr h GLN 23 N 1.17 0.89 0.85 0.20 4.20 0.13 -1.22 115.11 121.33 2ctr h GLN 23 Ca 0.35 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2ctr h GLN 23 Cb -0.03 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.64 2ctr h GLN 23 CO -0.10 0.83 -0.41 0.82 -0.67 0.00 0.00 178.83 179.31 2ctr h ILE 24 N 0.80 0.00 -1.00 2.54 2.04 -0.59 0.16 117.51 121.46 2ctr h ILE 24 Ca 0.18 -0.15 0.16 0.00 1.00 0.00 0.00 64.86 66.05 2ctr h ILE 24 Cb 0.34 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.32 2ctr h ILE 24 CO 0.00 0.00 0.62 0.11 0.00 0.00 0.00 178.15 178.88 2ctr h LYS 25 N -1.29 0.82 -0.06 2.37 6.56 -1.34 0.18 116.57 123.81 2ctr h LYS 25 Ca -0.12 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.41 2ctr h LYS 25 Cb 0.87 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 2ctr h LYS 25 CO 0.19 0.54 -0.01 0.87 -2.06 0.00 0.00 179.45 178.98 2ctr h LYS 26 N 0.85 0.11 -0.87 3.15 1.57 -1.13 0.93 116.57 121.18 2ctr h LYS 26 Ca 0.55 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2ctr h LYS 26 Cb 0.75 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2ctr h LYS 26 CO -0.34 0.44 0.56 0.00 -0.57 0.00 0.00 179.45 179.54 2ctr h ALA 27 N 0.67 1.33 0.37 3.86 0.00 0.29 -2.04 119.26 123.74 2ctr h ALA 27 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ctr h ALA 27 Cb 0.40 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ctr h ALA 27 CO 0.01 0.60 -0.18 0.35 0.00 0.00 0.00 179.25 180.03 2ctr h PHE 28 N 1.20 -0.46 -0.42 0.00 3.57 -0.62 -2.71 116.94 117.50 2ctr h PHE 28 Ca 0.32 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.85 2ctr h PHE 28 Cb -0.10 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 2ctr h PHE 28 CO 0.00 -0.21 -0.43 0.45 -2.23 0.00 0.00 178.31 175.89 2ctr h HIS 29 N -1.09 -1.32 -0.58 0.41 3.86 -0.78 0.25 115.15 115.90 2ctr h HIS 29 Ca -0.05 0.07 0.12 0.00 -1.16 0.00 0.00 60.37 59.35 2ctr h HIS 29 Cb 0.45 0.63 -0.11 0.00 1.06 0.00 0.00 27.41 29.44 2ctr h HIS 29 CO 0.02 -0.35 -0.11 1.57 0.86 0.00 0.00 177.93 179.91 2ctr h LYS 30 N -0.23 0.02 0.27 2.45 2.10 -1.50 -2.64 116.57 117.05 2ctr h LYS 30 Ca 0.07 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2ctr h LYS 30 Cb 0.41 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2ctr h LYS 30 CO -0.51 0.01 -0.22 -0.07 -2.00 0.00 0.00 179.45 176.66 2ctr h LEU 31 N 0.02 -0.58 -0.84 7.07 3.38 -0.78 -2.31 115.31 121.27 2ctr h LEU 31 Ca 0.28 0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.61 2ctr h LEU 31 Cb 0.44 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 2ctr h LEU 31 CO -0.58 -0.31 0.51 0.00 0.09 0.00 0.00 178.44 178.16 2ctr n ALA 32 N -2.45 0.85 -0.03 1.53 0.00 0.73 0.23 120.51 121.38 2ctr n ALA 32 Ca -0.06 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 53.92 2ctr n ALA 32 Cb 0.21 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 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 0.19 -0.12 0.00 2.86 -1.08 1.59 114.93 118.38 2ctr h MET 33 Ca 0.61 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 58.15 2ctr h MET 33 Cb 1.80 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 2ctr h MET 33 CO -0.42 0.43 -0.12 -0.22 1.06 0.00 0.00 176.91 177.64 2ctr h LYS 34 N -0.08 0.18 -0.26 1.72 3.64 0.32 -2.38 116.57 119.71 2ctr h LYS 34 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2ctr h LYS 34 Cb 0.35 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2ctr h LYS 34 CO 0.01 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 2ctr n TYR 35 N -4.31 0.89 -2.14 1.91 4.01 -0.34 -4.81 117.16 112.38 2ctr n TYR 35 Ca -0.01 -0.85 -0.41 0.00 -0.16 0.00 0.00 57.90 56.47 2ctr n TYR 35 Cb 0.25 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.67 3.17 0.31 -0.72 2.46 0.54 -4.27 115.29 114.11 2ctr s HIS 36 Ca 0.40 1.14 0.13 0.00 0.47 0.00 0.00 55.06 57.21 2ctr s HIS 36 Cb 0.32 -3.68 0.61 0.00 -0.13 0.00 0.00 32.58 29.70 2ctr s HIS 36 CO 0.09 -2.18 1.75 -1.00 -2.47 0.00 0.00 174.74 170.93 2ctr h PRO 37 N 5.27 0.00 0.03 2.88 0.13 -1.83 0.50 132.00 138.97 2ctr h PRO 37 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ctr h PRO 37 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ctr h PRO 37 CO 0.78 0.45 -0.01 0.22 -0.23 0.00 0.00 178.00 179.20 2ctr h ASP 38 N 0.00 -0.03 -0.04 1.44 1.82 -1.96 -3.37 116.42 114.28 2ctr h ASP 38 Ca -0.00 -0.69 -0.12 0.00 -0.39 0.00 0.00 57.03 55.83 2ctr h ASP 38 Cb 0.83 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.86 2ctr h ASP 38 CO 0.06 0.74 -0.43 0.11 -1.61 0.00 0.00 179.24 178.11 2ctr h LYS 39 N -0.87 0.36 -6.55 0.28 1.79 -1.88 -3.44 116.57 106.25 2ctr h LYS 39 Ca -0.00 -0.34 -0.52 0.00 -2.18 0.00 0.00 60.65 57.61 2ctr h LYS 39 Cb 0.72 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 2ctr h LYS 39 CO 0.01 1.00 0.22 1.21 -1.08 0.00 0.00 179.45 180.81 2ctr s ASN 40 N -6.54 7.44 -0.72 0.86 2.47 0.17 -5.02 114.94 113.61 2ctr s ASN 40 Ca -0.14 1.70 0.04 0.00 0.42 0.00 0.00 52.86 54.88 2ctr s ASN 40 Cb 0.03 -2.52 0.23 0.00 -1.45 0.00 0.00 41.25 37.54 2ctr s ASN 40 CO 0.79 0.17 0.76 2.29 -3.72 0.00 0.00 177.10 177.39 2ctr n LYS 41 N 1.73 2.55 -3.74 0.43 2.85 -1.26 -4.46 118.16 116.25 2ctr n LYS 41 Ca -0.04 -4.61 -0.14 0.00 -1.05 0.00 0.00 58.31 52.47 2ctr n LYS 41 Cb 0.48 -2.30 -0.08 0.00 -0.65 0.00 0.00 35.03 32.48 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2ctr s SER 42 N -2.00 -0.23 0.39 -5.58 0.01 -1.26 -5.05 113.70 99.98 2ctr s SER 42 Ca 0.35 0.14 0.18 0.00 1.31 0.00 0.00 55.95 57.93 2ctr s SER 42 Cb 0.08 0.33 0.80 0.00 0.21 0.00 0.00 66.02 67.44 2ctr s SER 42 CO -0.05 -0.46 1.81 1.55 0.41 0.00 0.00 173.24 176.50 2ctr h PRO 43 N 3.82 0.00 0.06 12.44 0.13 -2.02 -3.04 132.00 143.40 2ctr h PRO 43 Ca -0.29 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.57 2ctr h PRO 43 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2ctr h PRO 43 CO 0.40 0.35 -1.33 0.38 -0.23 0.00 0.00 178.00 177.57 2ctr h ASP 44 N 0.00 0.21 -0.21 1.44 2.03 -2.01 -3.36 116.42 114.53 2ctr h ASP 44 Ca -0.00 -0.26 0.06 0.00 -0.73 0.00 0.00 57.03 56.09 2ctr h ASP 44 Cb 0.75 -0.07 -0.06 0.00 -0.83 0.00 0.00 39.33 39.12 2ctr h ASP 44 CO 0.05 1.22 -0.21 0.00 -1.03 0.00 0.00 179.24 179.26 2ctr h ALA 45 N 0.75 -0.10 -0.55 4.15 0.00 -1.87 0.76 119.26 122.40 2ctr h ALA 45 Ca -0.15 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2ctr h ALA 45 Cb 1.92 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 20.05 2ctr h ALA 45 CO 0.15 -0.64 -0.14 1.49 0.00 0.00 0.00 179.25 180.10 2ctr h GLU 46 N -0.23 -0.01 -0.17 0.00 4.81 -1.70 -1.35 114.58 115.94 2ctr h GLU 46 Ca 0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2ctr h GLU 46 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2ctr h GLU 46 CO -0.34 -0.00 0.07 0.00 -0.73 0.00 0.00 179.01 178.01 2ctr h ALA 47 N 1.54 0.22 -0.56 2.92 0.00 -1.53 -2.93 119.26 118.91 2ctr h ALA 47 Ca 0.26 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2ctr h ALA 47 Cb 0.41 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2ctr h ALA 47 CO -0.57 -0.21 -0.43 0.87 0.00 0.00 0.00 179.25 178.91 2ctr h LYS 48 N 0.13 -0.23 -0.97 0.00 1.79 0.21 0.19 116.57 117.70 2ctr h LYS 48 Ca 0.06 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.69 2ctr h LYS 48 Cb 0.14 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.75 2ctr h LYS 48 CO -0.01 -0.15 0.58 0.35 -1.08 0.00 0.00 179.45 179.15 2ctr h PHE 49 N -0.23 1.04 -0.14 -1.35 3.04 -1.31 0.23 116.94 118.22 2ctr h PHE 49 Ca 0.18 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.20 2ctr h PHE 49 Cb 0.56 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2ctr h PHE 49 CO -0.69 0.33 0.37 -0.09 -2.02 0.00 0.00 178.31 176.20 2ctr h ARG 50 N 0.84 0.00 0.00 1.11 9.65 -0.43 0.33 114.38 125.89 2ctr h ARG 50 Ca 0.52 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 59.17 2ctr h ARG 50 Cb 0.65 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 2ctr h ARG 50 CO -0.32 0.00 -1.99 0.39 2.80 0.00 0.00 179.97 180.85 2ctr n GLU 51 N -3.18 0.66 -0.00 0.20 4.71 0.77 -3.91 120.64 119.88 2ctr n GLU 51 Ca 0.01 0.03 -0.17 0.00 -0.01 0.00 0.00 57.16 57.02 2ctr n GLU 51 Cb 0.46 -1.62 -0.11 0.00 -1.01 0.00 0.00 31.44 29.16 2ctr n GLU 51 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2ctr h ILE 52 N 0.00 1.44 0.43 -3.67 2.04 0.07 -3.07 117.51 114.76 2ctr h ILE 52 Ca -0.30 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.50 2ctr h ILE 52 Cb 1.77 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 2ctr h ILE 52 CO 0.03 0.59 -0.21 0.00 0.00 0.00 0.00 178.15 178.56 2ctr h ALA 53 N 0.33 -1.11 -1.05 1.87 0.00 -1.08 -1.40 119.26 116.82 2ctr h ALA 53 Ca -0.07 -0.13 0.35 0.00 0.00 0.00 0.00 54.91 55.07 2ctr h ALA 53 Cb 1.26 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 2ctr h ALA 53 CO 0.11 -1.07 0.61 1.49 0.00 0.00 0.00 179.25 180.39 2ctr h GLU 54 N -0.60 0.24 -0.51 0.00 4.57 -1.73 0.73 114.58 117.27 2ctr h GLU 54 Ca -0.06 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2ctr h GLU 54 Cb 0.45 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2ctr h GLU 54 CO 0.10 0.16 0.04 0.00 -1.18 0.00 0.00 179.01 178.13 2ctr h ALA 55 N 1.83 0.68 0.05 2.92 0.00 -1.41 -3.23 119.26 120.10 2ctr h ALA 55 Ca 0.76 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 2ctr h ALA 55 Cb 1.88 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2ctr h ALA 55 CO -0.59 0.46 -0.03 -0.92 0.00 0.00 0.00 179.25 178.18 2ctr h TYR 56 N 0.75 -0.06 -0.72 0.00 3.20 0.14 -3.07 116.97 117.20 2ctr h TYR 56 Ca 0.15 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.17 2ctr h TYR 56 Cb 0.46 0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.62 2ctr h TYR 56 CO 0.03 0.42 -0.17 0.39 -1.64 0.00 0.00 178.16 177.19 2ctr n GLU 57 N -4.88 -0.06 0.01 1.82 1.02 0.60 0.21 120.64 119.35 2ctr n GLU 57 Ca -0.09 1.13 -0.13 0.00 -0.02 0.00 0.00 57.16 58.05 2ctr n GLU 57 Cb 0.26 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.26 -0.09 2.62 2.02 -1.59 -2.76 112.91 114.37 2ctr h THR 58 Ca 0.35 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2ctr h THR 58 Cb 0.55 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2ctr h THR 58 CO -0.74 0.20 0.00 0.18 0.37 0.00 0.00 175.52 175.53 2ctr n LEU 59 N -4.93 1.09 -0.10 2.58 4.77 0.25 -0.68 117.00 119.97 2ctr n LEU 59 Ca -0.08 -0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 55.17 2ctr n LEU 59 Cb 0.18 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 2ctr n LEU 59 CO 0.33 0.22 -0.76 -0.24 -1.33 0.00 0.00 177.39 175.61 2ctr n SER 60 N -0.06 1.89 -4.16 -1.43 2.88 0.56 -4.82 113.62 108.47 2ctr n SER 60 Ca 0.04 0.43 -0.30 0.00 -1.33 0.00 0.00 58.87 57.71 2ctr n SER 60 Cb 0.23 -0.87 0.18 0.00 -0.75 0.00 0.00 64.21 63.00 2ctr n SER 60 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ctr s ASP 61 N -6.66 3.04 -0.03 -3.46 2.15 -1.22 -4.97 116.67 105.53 2ctr s ASP 61 Ca -0.29 0.33 -0.00 0.00 0.43 0.00 0.00 52.55 53.01 2ctr s ASP 61 Cb 0.07 -0.41 -0.00 0.00 -0.30 0.00 0.00 42.92 42.28 2ctr s ASP 61 CO 0.46 -2.78 -0.01 0.00 -0.17 0.00 0.00 175.17 172.67 2ctr h ALA 62 N -1.68 0.00 -0.40 3.66 0.00 -1.94 -3.14 119.26 115.76 2ctr h ALA 62 Ca -0.45 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.48 2ctr h ALA 62 Cb 1.24 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2ctr h ALA 62 CO 0.39 0.02 0.00 -0.91 0.00 0.00 0.00 179.25 178.76 2ctr h ASN 63 N -0.27 -0.16 -0.33 0.00 4.21 -1.96 0.45 115.58 117.52 2ctr h ASN 63 Ca 0.00 0.09 0.07 0.00 1.21 0.00 0.00 56.30 57.67 2ctr h ASN 63 Cb 0.02 0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 37.31 2ctr h ASN 63 CO 0.00 -0.05 -0.18 0.03 -1.29 0.00 0.00 177.43 175.94 2ctr h ARG 64 N 0.11 -0.13 0.00 0.81 3.08 -1.79 0.32 114.38 116.77 2ctr h ARG 64 Ca 0.20 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2ctr h ARG 64 Cb 0.28 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2ctr h ARG 64 CO -0.33 -0.09 -0.37 -0.09 -1.07 0.00 0.00 179.97 178.03 2ctr h ARG 65 N -0.14 0.00 -0.26 0.04 1.12 -0.29 -1.82 114.38 113.04 2ctr h ARG 65 Ca 0.17 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.87 2ctr h ARG 65 Cb 0.40 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 2ctr h ARG 65 CO -0.41 0.37 -0.52 -0.22 -3.11 0.00 0.00 179.97 176.07 2ctr h LYS 66 N 0.00 0.75 0.05 0.20 3.64 0.18 -2.96 116.57 118.43 2ctr h LYS 66 Ca -0.00 -0.46 -0.26 0.00 -1.27 0.00 0.00 60.65 58.66 2ctr h LYS 66 Cb 0.82 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2ctr h LYS 66 CO 0.05 1.08 -1.09 0.93 -2.27 0.00 0.00 179.45 178.15 2ctr h GLU 67 N 0.58 0.48 0.00 1.90 5.08 -0.32 -2.32 114.58 119.98 2ctr h GLU 67 Ca 0.02 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2ctr h GLU 67 Cb 1.10 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2ctr h GLU 67 CO 0.11 1.23 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.42 2ctr h TYR 68 N 0.24 0.00 0.03 4.33 3.20 -1.34 0.66 116.97 124.09 2ctr h TYR 68 Ca -0.12 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.39 2ctr h TYR 68 Cb 1.75 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.96 2ctr h TYR 68 CO 0.08 0.01 -2.17 -3.47 -1.64 0.00 0.00 178.16 170.97 2ctr n ASP 69 N -3.14 1.15 0.17 -2.11 2.03 -1.12 -1.67 116.55 111.86 2ctr n ASP 69 Ca -0.02 0.11 0.09 0.00 0.52 0.00 0.00 54.79 55.49 2ctr n ASP 69 Cb 0.13 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.02 0.19 0.00 5.18 1.03 -0.85 -3.38 112.91 115.10 2ctr h THR 70 Ca -0.47 -1.28 -0.25 0.00 -0.01 0.00 0.00 66.41 64.40 2ctr h THR 70 Cb 2.06 1.97 -0.04 0.00 -1.07 0.00 0.00 68.15 71.07 2ctr h THR 70 CO 0.02 0.11 -1.86 0.18 -0.01 0.00 0.00 175.52 173.96 2ctr n LEU 71 N -3.01 1.63 0.00 0.00 4.77 0.23 -5.07 117.00 115.54 2ctr n LEU 71 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2ctr n LEU 71 Cb 0.59 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2ctr n LEU 71 CO 0.37 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2ctr n GLY 72 N 2.24 0.27 0.00 -0.72 0.00 -0.67 -4.48 105.19 101.82 2ctr n GLY 72 Ca -0.29 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2ctr n GLY 72 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ctr n HIS 73 N 0.00 0.00 0.09 1.61 -0.00 -1.26 -4.22 115.22 111.44 2ctr n HIS 73 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2ctr n HIS 73 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 2ctr n HIS 73 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2ctr h SER 74 N 0.00 0.00 0.00 0.26 4.64 -1.95 -1.49 113.55 115.01 2ctr h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ctr h SER 74 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2ctr h SER 74 CO 0.00 0.52 -0.78 0.00 -0.87 0.00 0.00 176.83 175.70 2ctr n ALA 75 N -2.30 1.16 -0.39 5.18 0.00 -1.26 -3.10 120.51 119.80 2ctr n ALA 75 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 2ctr n ALA 75 Cb 0.77 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 2ctr n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2ctr h PHE 76 N -0.78 -1.71 0.00 0.00 3.04 -1.79 -3.25 116.94 112.44 2ctr h PHE 76 Ca 0.00 0.12 -0.33 0.00 3.98 0.00 0.00 57.97 61.74 2ctr h PHE 76 Cb 0.78 0.87 -0.06 0.00 2.56 0.00 0.00 35.95 40.11 2ctr h PHE 76 CO -0.33 -0.39 -2.21 -2.37 -2.02 0.00 0.00 178.31 170.98 2ctr n THR 77 N -5.31 1.21 -3.58 4.41 5.66 -1.25 -5.03 114.28 110.39 2ctr n THR 77 Ca 0.03 -0.42 -0.20 0.00 -3.05 0.00 0.00 64.05 60.40 2ctr n THR 77 Cb 0.30 -1.39 0.05 0.00 -1.55 0.00 0.00 70.33 67.74 2ctr n THR 77 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2ctr n SER 78 N -3.35 -2.22 -4.49 1.09 2.88 -0.56 -4.89 113.62 102.08 2ctr n SER 78 Ca -0.39 -0.77 -0.43 0.00 -1.33 0.00 0.00 58.87 55.95 2ctr n SER 78 Cb 0.88 -4.41 -0.01 0.00 -0.75 0.00 0.00 64.21 59.91 2ctr n SER 78 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctr s GLY 79 N -4.20 1.95 0.02 0.46 0.00 -1.26 -4.96 107.32 99.33 2ctr s GLY 79 Ca 0.08 -2.91 0.04 0.00 0.00 0.00 0.00 44.72 41.93 2ctr s GLY 79 CO 0.79 2.22 -0.11 1.25 0.00 0.00 0.00 173.10 177.24 2ctr s LYS 80 N 2.86 0.77 0.00 2.90 2.36 -1.26 -4.89 119.74 122.48 2ctr s LYS 80 Ca 0.41 -0.59 0.00 0.00 -2.55 0.00 0.00 55.97 53.24 2ctr s LYS 80 Cb -0.02 -0.73 0.00 0.00 -1.05 0.00 0.00 37.83 36.03 2ctr s LYS 80 CO -0.04 0.18 0.00 0.41 1.55 0.00 0.00 175.35 177.45 2ctr n GLY 81 N 2.19 0.70 3.52 5.54 0.00 -1.26 -5.10 105.19 110.78 2ctr n GLY 81 Ca -0.17 -0.42 -0.55 0.00 0.00 0.00 0.00 46.02 44.88 2ctr n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctr n GLN 82 N 0.00 0.44 -4.36 1.61 3.00 -1.26 -4.96 117.38 111.85 2ctr n GLN 82 Ca 0.00 0.16 -0.29 0.00 -0.01 0.00 0.00 57.00 56.85 2ctr n GLN 82 Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 30.24 28.48 2ctr n GLN 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2ctr s SER 83 N 0.02 3.59 0.02 1.08 0.15 -1.26 -4.93 113.70 112.36 2ctr s SER 83 Ca 0.84 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.88 2ctr s SER 83 Cb -1.10 -0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 2ctr s SER 83 CO 0.54 0.18 -0.12 -0.83 1.20 0.00 0.00 173.24 174.21 2ctr s GLY 84 N -2.08 0.65 0.00 9.45 0.00 -1.26 -5.01 107.32 109.07 2ctr s GLY 84 Ca 0.16 -0.66 0.15 0.00 0.00 0.00 0.00 44.72 44.37 2ctr s GLY 84 CO 0.08 -0.61 1.37 -1.55 0.00 0.00 0.00 173.10 172.39 2ctr n PRO 85 N 2.30 0.38 -1.49 2.90 -0.04 -1.26 -4.86 135.00 132.93 2ctr n PRO 85 Ca -0.16 0.06 -0.58 0.00 -0.04 0.00 0.00 63.50 62.77 2ctr n PRO 85 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 2ctr n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctr n SER 86 N -1.11 0.63 -0.10 3.54 2.88 -1.26 -4.88 113.62 113.32 2ctr n SER 86 Ca 0.10 1.06 -0.15 0.00 -1.33 0.00 0.00 58.87 58.56 2ctr n SER 86 Cb 0.08 -0.81 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 2ctr n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ctr n SER 87 N 2.66 1.92 0.00 -3.46 7.64 -1.26 -5.07 113.62 116.05 2ctr n SER 87 Ca 0.24 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2ctr n SER 87 Cb -0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2ctr n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64