#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 -2.78 1.61 0.02 -2.06 -3.47 113.55 106.86 2ctr h SER 2 Ca 0.00 -0.32 -0.65 0.00 -0.84 0.00 0.00 61.79 59.99 2ctr h SER 2 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2ctr h SER 2 CO 0.00 1.21 -0.48 -0.55 -1.14 0.00 0.00 176.83 175.88 2ctr s SER 3 N -6.43 6.39 0.00 3.07 0.15 -1.26 -4.83 113.70 110.79 2ctr s SER 3 Ca -0.23 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2ctr s SER 3 Cb 0.04 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2ctr s SER 3 CO 0.45 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.80 2ctr n GLY 4 N 1.23 0.75 3.59 9.45 0.00 -1.26 -5.13 105.19 113.82 2ctr n GLY 4 Ca -0.13 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2ctr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctr s SER 5 N -0.72 -0.53 -0.13 1.61 0.15 -1.26 -4.98 113.70 107.84 2ctr s SER 5 Ca 0.00 0.81 -0.09 0.00 0.70 0.00 0.00 55.95 57.37 2ctr s SER 5 Cb 0.00 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2ctr s SER 5 CO 0.00 -0.33 -0.18 -1.20 1.20 0.00 0.00 173.24 172.73 2ctr n SER 6 N 1.58 1.65 0.00 5.45 7.64 -1.26 -4.99 113.62 123.68 2ctr n SER 6 Ca -0.14 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2ctr n SER 6 Cb 0.57 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.61 1.13 3.92 0.23 0.00 -1.26 -4.09 105.19 106.74 2ctr n GLY 7 Ca -0.07 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 6.40 0.08 1.61 0.01 -1.26 -4.94 113.70 111.60 2ctr s SER 8 Ca 0.00 0.43 -0.19 0.00 1.31 0.00 0.00 55.95 57.50 2ctr s SER 8 Cb 0.00 -2.02 -0.06 0.00 0.21 0.00 0.00 66.02 64.15 2ctr s SER 8 CO 0.00 -0.02 1.32 1.88 0.41 0.00 0.00 173.24 176.82 2ctr h TYR 9 N 2.15 -1.02 -0.93 2.43 0.05 -1.91 0.23 116.97 117.98 2ctr h TYR 9 Ca -0.48 0.05 0.35 0.00 0.05 0.00 0.00 58.73 58.71 2ctr h TYR 9 Cb 1.19 0.48 -0.13 0.00 1.01 0.00 0.00 36.73 39.28 2ctr h TYR 9 CO 0.56 -0.27 0.55 0.66 -1.05 0.00 0.00 178.16 178.61 2ctr n TYR 10 N -4.27 0.75 0.05 4.88 4.01 -1.26 0.23 117.16 121.55 2ctr n TYR 10 Ca -0.01 0.76 -0.20 0.00 -0.16 0.00 0.00 57.90 58.29 2ctr n TYR 10 Cb 0.19 -1.17 -0.13 0.00 -0.31 0.00 0.00 39.34 37.92 2ctr n TYR 10 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2ctr h ASP 11 N 0.00 0.65 -0.26 7.72 5.19 -0.83 0.16 116.42 129.04 2ctr h ASP 11 Ca 0.68 -0.83 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 2ctr h ASP 11 Cb 1.99 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 41.28 2ctr h ASP 11 CO -0.50 1.41 0.12 0.40 -3.12 0.00 0.00 179.24 177.56 2ctr h ILE 12 N -0.02 1.15 -0.02 0.35 2.04 0.46 -3.16 117.51 118.31 2ctr h ILE 12 Ca -0.13 -0.43 -0.20 0.00 1.00 0.00 0.00 64.86 65.10 2ctr h ILE 12 Cb 1.61 0.96 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2ctr h ILE 12 CO 0.17 0.15 -0.75 -0.07 0.00 0.00 0.00 178.15 177.65 2ctr h LEU 13 N 0.29 0.69 0.00 1.44 3.38 -0.62 -3.47 115.31 117.02 2ctr h LEU 13 Ca 0.09 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2ctr h LEU 13 Cb 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ctr h LEU 13 CO -0.01 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.46 2ctr n GLY 14 N 1.02 1.48 3.31 0.83 0.00 0.15 -4.75 105.19 107.22 2ctr n GLY 14 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 1.76 0.79 1.61 -7.23 0.32 -5.02 120.40 110.63 2ctr s VAL 15 Ca 0.00 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2ctr s VAL 15 Cb 0.00 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 35.32 2ctr s VAL 15 CO 0.00 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.54 2ctr s PRO 16 N -2.31 2.14 0.55 4.82 0.04 -1.26 -4.45 135.00 134.52 2ctr s PRO 16 Ca 0.11 1.13 0.22 0.00 0.04 0.00 0.00 61.00 62.50 2ctr s PRO 16 Cb -0.08 -1.89 1.52 0.00 0.04 0.00 0.00 34.50 34.09 2ctr s PRO 16 CO 0.05 -1.72 2.20 0.87 0.04 0.00 0.00 177.00 178.44 2ctr h LYS 17 N -1.18 0.00 -0.48 4.56 6.56 -2.01 -0.29 116.57 123.73 2ctr h LYS 17 Ca -0.44 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.12 2ctr h LYS 17 Cb 1.24 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.88 2ctr h LYS 17 CO 0.52 0.00 0.03 0.43 -2.06 0.00 0.00 179.45 178.37 2ctr n SER 18 N -4.21 4.92 -4.77 0.86 7.64 -1.26 -5.00 113.62 111.80 2ctr n SER 18 Ca -0.03 -3.02 -0.41 0.00 1.01 0.00 0.00 58.87 56.42 2ctr n SER 18 Cb 0.09 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ctr s ALA 19 N -2.84 3.56 0.26 -0.43 0.00 -0.12 -5.00 121.76 117.19 2ctr s ALA 19 Ca 0.50 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 2ctr s ALA 19 Cb 0.39 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 2ctr s ALA 19 CO 0.13 -0.82 0.64 0.45 0.00 0.00 0.00 175.76 176.16 2ctr s SER 20 N -0.18 6.73 0.10 0.00 0.15 -1.26 -4.87 113.70 114.38 2ctr s SER 20 Ca 0.53 1.12 -0.20 0.00 0.70 0.00 0.00 55.95 58.09 2ctr s SER 20 Cb -0.43 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 2ctr s SER 20 CO 0.55 -0.11 1.05 1.21 1.20 0.00 0.00 173.24 177.13 2ctr n GLU 21 N -0.12 -0.29 -0.34 5.44 0.00 -1.26 0.17 120.64 124.25 2ctr n GLU 21 Ca 0.01 1.03 0.21 0.00 0.00 0.00 0.00 57.16 58.41 2ctr n GLU 21 Cb 0.53 -1.51 0.40 0.00 0.00 0.00 0.00 31.44 30.85 2ctr n GLU 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2ctr h ARG 22 N 0.00 0.00 -0.43 5.31 2.43 -1.98 1.28 114.38 120.99 2ctr h ARG 22 Ca 0.10 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 2ctr h ARG 22 Cb 0.27 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2ctr h ARG 22 CO -0.61 0.00 -0.25 1.96 -1.51 0.00 0.00 179.97 179.56 2ctr h GLN 23 N 0.00 0.89 0.57 0.20 4.20 0.14 -2.30 115.11 118.82 2ctr h GLN 23 Ca 0.69 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2ctr h GLN 23 Cb 1.60 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.36 2ctr h GLN 23 CO -0.87 1.04 -0.28 0.82 -0.67 0.00 0.00 178.83 178.87 2ctr h ILE 24 N 0.77 0.00 -0.77 2.54 2.04 0.24 0.33 117.51 122.66 2ctr h ILE 24 Ca 0.10 -0.23 0.17 0.00 1.00 0.00 0.00 64.86 65.90 2ctr h ILE 24 Cb 0.80 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.77 2ctr h ILE 24 CO 0.07 0.00 0.19 0.11 0.00 0.00 0.00 178.15 178.52 2ctr h LYS 25 N -1.00 0.25 0.29 2.37 1.57 -0.91 0.37 116.57 119.51 2ctr h LYS 25 Ca -0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ctr h LYS 25 Cb 0.59 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2ctr h LYS 25 CO 0.13 0.17 -0.14 0.87 -0.57 0.00 0.00 179.45 179.91 2ctr h LYS 26 N 0.26 -0.37 -0.85 3.15 1.79 -1.42 0.27 116.57 119.40 2ctr h LYS 26 Ca 0.44 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 59.11 2ctr h LYS 26 Cb 0.78 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.46 2ctr h LYS 26 CO -0.54 -0.04 0.56 0.00 -1.08 0.00 0.00 179.45 178.35 2ctr h ALA 27 N -0.21 2.08 0.03 3.86 0.00 0.44 -1.63 119.26 123.83 2ctr h ALA 27 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ctr h ALA 27 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ctr h ALA 27 CO 0.06 -0.33 -0.01 0.35 0.00 0.00 0.00 179.25 179.32 2ctr h PHE 28 N 0.48 -0.03 -0.93 0.00 3.57 -0.22 -3.11 116.94 116.70 2ctr h PHE 28 Ca 0.43 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.06 2ctr h PHE 28 Cb 0.96 0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.57 2ctr h PHE 28 CO -0.00 -0.02 -0.43 0.72 -2.23 0.00 0.00 178.31 176.35 2ctr n HIS 29 N -4.20 -0.12 -0.37 0.41 8.25 0.95 0.13 115.22 120.27 2ctr n HIS 29 Ca -0.00 1.15 0.05 0.00 -0.26 0.00 0.00 57.72 58.66 2ctr n HIS 29 Cb 0.01 -0.75 0.21 0.00 1.12 0.00 0.00 29.99 30.58 2ctr n HIS 29 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2ctr h LYS 30 N 0.00 1.05 0.61 -0.41 1.57 -1.46 -2.60 116.57 115.33 2ctr h LYS 30 Ca 0.26 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2ctr h LYS 30 Cb 0.50 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2ctr h LYS 30 CO -0.91 0.69 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.31 2ctr h LEU 31 N 1.08 -0.69 -1.17 2.94 3.38 0.11 -2.72 115.31 118.25 2ctr h LEU 31 Ca 0.47 -0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.83 2ctr h LEU 31 Cb 0.35 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2ctr h LEU 31 CO -0.23 -0.32 0.68 0.00 0.09 0.00 0.00 178.44 178.66 2ctr h ALA 32 N -0.96 2.38 -0.13 1.53 0.00 -0.24 1.80 119.26 123.64 2ctr h ALA 32 Ca -0.08 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2ctr h ALA 32 Cb 0.67 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2ctr h ALA 32 CO 0.14 -1.08 -0.52 0.52 0.00 0.00 0.00 179.25 178.30 2ctr h MET 33 N 0.08 0.36 -0.13 0.00 2.86 -1.36 1.27 114.93 118.01 2ctr h MET 33 Ca 0.83 -0.21 -0.16 0.00 -2.06 0.00 0.00 59.70 58.09 2ctr h MET 33 Cb 2.32 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.99 2ctr h MET 33 CO -0.60 0.80 -0.59 -0.22 1.06 0.00 0.00 176.91 177.35 2ctr h LYS 34 N 0.28 0.44 -0.21 1.72 3.64 0.30 -3.18 116.57 119.56 2ctr h LYS 34 Ca 0.01 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2ctr h LYS 34 Cb 1.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2ctr h LYS 34 CO 0.09 0.91 0.00 0.66 -2.27 0.00 0.00 179.45 178.84 2ctr n TYR 35 N -3.92 0.64 -1.74 1.91 4.01 -0.14 -4.73 117.16 113.20 2ctr n TYR 35 Ca -0.03 -0.81 -0.42 0.00 -0.16 0.00 0.00 57.90 56.47 2ctr n TYR 35 Cb 0.62 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 2ctr n TYR 35 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2ctr n HIS 36 N -0.50 2.78 0.94 -0.72 -0.00 0.44 -4.29 115.22 113.86 2ctr n HIS 36 Ca 0.18 0.29 0.08 0.00 0.46 0.00 0.00 57.72 58.72 2ctr n HIS 36 Cb 0.73 -2.58 0.45 0.00 -0.12 0.00 0.00 29.99 28.48 2ctr n HIS 36 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2ctr n PRO 37 N 2.02 0.45 -0.01 1.57 -0.04 -1.26 -0.69 135.00 137.04 2ctr n PRO 37 Ca 0.08 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2ctr n PRO 37 Cb 0.36 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 2ctr n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ctr n ASP 38 N -1.04 2.88 -0.12 3.54 -0.08 -1.26 -4.67 116.55 115.80 2ctr n ASP 38 Ca 0.11 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.23 2ctr n ASP 38 Cb 0.06 1.40 -0.13 0.00 2.34 0.00 0.00 41.12 44.80 2ctr n ASP 38 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ctr n LYS 39 N -1.83 0.66 -2.87 -0.67 4.76 -0.90 -4.91 118.16 112.40 2ctr n LYS 39 Ca -0.02 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 2ctr n LYS 39 Cb 0.26 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 2ctr n LYS 39 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2ctr s ASN 40 N -6.29 6.94 -0.30 4.39 -0.87 0.14 -4.93 114.94 114.01 2ctr s ASN 40 Ca -0.29 1.16 0.00 0.00 -1.57 0.00 0.00 52.86 52.16 2ctr s ASN 40 Cb 0.08 -2.46 0.27 0.00 -0.02 0.00 0.00 41.25 39.13 2ctr s ASN 40 CO 0.65 -0.46 1.80 0.29 -2.57 0.00 0.00 177.10 176.82 2ctr n LYS 41 N 5.54 1.77 -4.21 -0.60 4.01 -1.26 -4.78 118.16 118.63 2ctr n LYS 41 Ca 0.05 -1.62 -0.17 0.00 -0.51 0.00 0.00 58.31 56.06 2ctr n LYS 41 Cb 0.48 -1.64 -0.11 0.00 -0.51 0.00 0.00 35.03 33.25 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2ctr s SER 42 N -0.04 1.82 0.02 4.39 0.01 -1.26 -5.07 113.70 113.57 2ctr s SER 42 Ca 0.32 -0.77 -0.22 0.00 1.31 0.00 0.00 55.95 56.59 2ctr s SER 42 Cb 0.25 -0.05 -0.16 0.00 0.21 0.00 0.00 66.02 66.28 2ctr s SER 42 CO 0.02 -0.16 1.33 1.55 0.41 0.00 0.00 173.24 176.39 2ctr h PRO 43 N 3.68 0.27 -0.91 12.44 0.13 -2.02 -3.17 132.00 142.41 2ctr h PRO 43 Ca -0.39 -0.14 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 2ctr h PRO 43 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2ctr h PRO 43 CO 0.49 0.67 0.59 0.38 -0.23 0.00 0.00 178.00 179.90 2ctr h ASP 44 N -0.13 0.65 -0.51 1.44 2.03 -1.99 -2.41 116.42 115.51 2ctr h ASP 44 Ca 0.02 0.05 0.07 0.00 -0.73 0.00 0.00 57.03 56.44 2ctr h ASP 44 Cb 0.62 -0.08 -0.10 0.00 -0.83 0.00 0.00 39.33 38.95 2ctr h ASP 44 CO 0.03 0.31 -0.47 0.00 -1.03 0.00 0.00 179.24 178.08 2ctr h ALA 45 N 1.60 -0.47 -0.81 4.15 0.00 -1.88 0.14 119.26 121.99 2ctr h ALA 45 Ca 0.47 0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.64 2ctr h ALA 45 Cb 0.78 1.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.44 2ctr h ALA 45 CO -0.22 -0.90 0.10 1.49 0.00 0.00 0.00 179.25 179.72 2ctr h GLU 46 N -0.29 0.15 -0.26 0.00 4.81 -1.57 0.60 114.58 118.03 2ctr h GLU 46 Ca 0.14 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2ctr h GLU 46 Cb 0.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ctr h GLU 46 CO -0.64 0.10 0.05 0.00 -0.73 0.00 0.00 179.01 177.79 2ctr h ALA 47 N 1.73 0.34 -0.30 2.92 0.00 -1.00 -2.73 119.26 120.22 2ctr h ALA 47 Ca 0.47 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2ctr h ALA 47 Cb 0.87 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2ctr h ALA 47 CO -0.66 0.01 -0.39 0.87 0.00 0.00 0.00 179.25 179.08 2ctr h LYS 48 N 0.24 -0.35 -0.73 0.00 1.79 0.15 0.66 116.57 118.32 2ctr h LYS 48 Ca 0.08 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 2ctr h LYS 48 Cb 0.30 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 2ctr h LYS 48 CO 0.00 -0.23 0.48 0.35 -1.08 0.00 0.00 179.45 178.97 2ctr h PHE 49 N -0.36 0.68 -0.14 -1.35 3.57 -1.33 0.26 116.94 118.26 2ctr h PHE 49 Ca 0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2ctr h PHE 49 Cb 0.58 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2ctr h PHE 49 CO -0.54 0.32 0.35 -0.09 -2.23 0.00 0.00 178.31 176.12 2ctr h ARG 50 N 0.64 0.00 0.00 1.11 9.65 -0.54 0.29 114.38 125.52 2ctr h ARG 50 Ca 0.34 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 59.00 2ctr h ARG 50 Cb 0.47 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 2ctr h ARG 50 CO -0.12 0.00 -2.04 0.39 2.80 0.00 0.00 179.97 181.00 2ctr n GLU 51 N -3.21 0.66 -0.02 0.20 -0.58 0.06 -3.97 120.64 113.77 2ctr n GLU 51 Ca 0.01 -0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 2ctr n GLU 51 Cb 0.44 -1.59 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 2ctr n GLU 51 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2ctr h ILE 52 N 0.00 1.53 0.56 -3.67 2.04 -0.28 -3.04 117.51 114.65 2ctr h ILE 52 Ca -0.29 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 2ctr h ILE 52 Cb 1.72 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.53 2ctr h ILE 52 CO 0.03 0.54 -0.32 0.00 0.00 0.00 0.00 178.15 178.39 2ctr h ALA 53 N 0.27 -1.17 -1.18 1.87 0.00 -1.09 -1.23 119.26 116.73 2ctr h ALA 53 Ca -0.03 -0.17 0.34 0.00 0.00 0.00 0.00 54.91 55.04 2ctr h ALA 53 Cb 1.03 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 2ctr h ALA 53 CO 0.06 -1.13 0.79 1.49 0.00 0.00 0.00 179.25 180.45 2ctr h GLU 54 N -0.81 0.20 -0.27 0.00 4.81 -1.72 0.77 114.58 117.55 2ctr h GLU 54 Ca -0.08 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 2ctr h GLU 54 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2ctr h GLU 54 CO 0.09 0.13 -0.42 0.00 -0.73 0.00 0.00 179.01 178.08 2ctr h ALA 55 N 1.54 0.75 0.04 2.92 0.00 -1.33 -3.27 119.26 119.91 2ctr h ALA 55 Ca 0.65 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ctr h ALA 55 Cb 2.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2ctr h ALA 55 CO -0.24 0.66 -0.02 -0.92 0.00 0.00 0.00 179.25 178.73 2ctr h TYR 56 N 0.54 -0.05 -0.73 0.00 3.20 0.16 -3.03 116.97 117.06 2ctr h TYR 56 Ca 0.04 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.14 2ctr h TYR 56 Cb 0.96 0.02 -0.13 0.00 1.54 0.00 0.00 36.73 39.11 2ctr h TYR 56 CO 0.05 0.59 0.13 0.39 -1.64 0.00 0.00 178.16 177.67 2ctr n GLU 57 N -4.74 -0.05 -0.03 1.82 -0.58 0.63 0.23 120.64 117.91 2ctr n GLU 57 Ca -0.08 1.07 -0.14 0.00 -0.42 0.00 0.00 57.16 57.59 2ctr n GLU 57 Cb 0.32 -1.76 -0.11 0.00 -0.57 0.00 0.00 31.44 29.32 2ctr n GLU 57 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2ctr h THR 58 N 0.00 1.54 -0.02 2.62 2.02 -1.65 -3.10 112.91 114.32 2ctr h THR 58 Ca 0.50 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2ctr h THR 58 Cb 1.13 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2ctr h THR 58 CO -0.65 0.46 0.00 0.18 0.37 0.00 0.00 175.52 175.88 2ctr n LEU 59 N -4.65 0.08 -0.13 2.58 4.77 0.27 -1.23 117.00 118.70 2ctr n LEU 59 Ca -0.09 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.60 2ctr n LEU 59 Cb 0.40 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 2ctr n LEU 59 CO 0.36 0.02 -1.36 -1.54 -1.33 0.00 0.00 177.39 173.54 2ctr n SER 60 N -0.45 1.97 -4.74 -1.43 3.41 0.63 -4.85 113.62 108.16 2ctr n SER 60 Ca 0.01 0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 2ctr n SER 60 Cb 0.01 -0.66 0.12 0.00 -0.26 0.00 0.00 64.21 63.42 2ctr n SER 60 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2ctr s ASP 61 N -7.08 3.88 -0.00 4.04 1.01 -1.18 -4.97 116.67 112.36 2ctr s ASP 61 Ca -0.36 0.78 -0.00 0.00 0.71 0.00 0.00 52.55 53.68 2ctr s ASP 61 Cb 0.12 -1.24 -0.00 0.00 1.01 0.00 0.00 42.92 42.80 2ctr s ASP 61 CO 0.55 -2.30 -0.00 0.00 0.21 0.00 0.00 175.17 173.62 2ctr h ALA 62 N -1.33 0.00 -0.86 5.23 0.00 -1.94 -3.03 119.26 117.33 2ctr h ALA 62 Ca -0.47 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.47 2ctr h ALA 62 Cb 1.32 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2ctr h ALA 62 CO 0.60 0.01 0.46 -0.91 0.00 0.00 0.00 179.25 179.41 2ctr h ASN 63 N -0.04 0.57 0.58 0.00 4.21 -1.96 0.46 115.58 119.39 2ctr h ASN 63 Ca 0.00 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 2ctr h ASN 63 Cb 0.01 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2ctr h ASN 63 CO 0.00 0.25 -0.28 0.03 -1.29 0.00 0.00 177.43 176.14 2ctr h ARG 64 N 0.66 -0.75 -0.09 0.81 3.08 -1.82 -1.61 114.38 114.65 2ctr h ARG 64 Ca 0.47 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.53 2ctr h ARG 64 Cb 0.64 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2ctr h ARG 64 CO -0.35 -0.48 -0.09 -0.09 -1.07 0.00 0.00 179.97 177.88 2ctr h ARG 65 N -0.82 0.13 -0.68 0.04 1.12 -0.58 -1.75 114.38 111.84 2ctr h ARG 65 Ca -0.08 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.71 2ctr h ARG 65 Cb 0.61 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.52 2ctr h ARG 65 CO 0.13 0.23 0.20 -0.22 -3.11 0.00 0.00 179.97 177.20 2ctr h LYS 66 N 0.13 1.07 -0.00 0.20 3.64 0.20 -1.49 116.57 120.31 2ctr h LYS 66 Ca 0.03 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2ctr h LYS 66 Cb 0.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2ctr h LYS 66 CO 0.01 0.94 -0.01 0.93 -2.27 0.00 0.00 179.45 179.05 2ctr h GLU 67 N 1.01 0.01 -0.31 1.90 5.08 -0.79 -0.35 114.58 121.12 2ctr h GLU 67 Ca 0.22 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2ctr h GLU 67 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2ctr h GLU 67 CO -0.00 0.63 0.25 -0.92 -1.00 0.00 0.00 179.01 177.97 2ctr h TYR 68 N -0.62 0.00 0.13 4.33 5.03 -1.31 0.89 116.97 125.42 2ctr h TYR 68 Ca -0.00 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.05 2ctr h TYR 68 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2ctr h TYR 68 CO 0.15 0.00 -1.30 0.22 -1.32 0.00 0.00 178.16 175.91 2ctr h ASP 69 N 0.00 0.42 1.38 -2.11 3.58 -1.23 0.54 116.42 118.99 2ctr h ASP 69 Ca 0.15 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.72 2ctr h ASP 69 Cb 0.64 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2ctr h ASP 69 CO -0.00 1.58 0.00 0.00 -2.88 0.00 0.00 179.24 177.94 2ctr h THR 70 N -0.29 0.00 0.00 2.25 1.03 -0.29 -3.35 112.91 112.26 2ctr h THR 70 Ca -0.27 -0.66 -0.18 0.00 -0.01 0.00 0.00 66.41 65.29 2ctr h THR 70 Cb 1.76 1.64 -0.03 0.00 -1.07 0.00 0.00 68.15 70.45 2ctr h THR 70 CO 0.09 0.00 -1.48 0.18 -0.01 0.00 0.00 175.52 174.30 2ctr n LEU 71 N -2.98 1.15 0.00 0.00 4.77 0.30 -5.05 117.00 115.20 2ctr n LEU 71 Ca 0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2ctr n LEU 71 Cb 0.39 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2ctr n LEU 71 CO 0.29 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2ctr n GLY 72 N 2.18 0.41 0.22 -0.72 0.00 0.19 -4.57 105.19 102.90 2ctr n GLY 72 Ca -0.23 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 3.03 0.00 0.06 1.61 -0.00 -1.26 -3.85 115.22 114.81 2ctr n HIS 73 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 2ctr n HIS 73 Cb 0.00 -0.43 0.19 0.00 -0.12 0.00 0.00 29.99 29.63 2ctr n HIS 73 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2ctr h SER 74 N -0.85 0.37 0.07 0.26 0.87 -1.92 -2.40 113.55 109.95 2ctr h SER 74 Ca 0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2ctr h SER 74 Cb 0.85 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2ctr h SER 74 CO 0.00 0.74 -0.03 0.00 -0.53 0.00 0.00 176.83 177.00 2ctr h ALA 75 N 1.29 -0.10 0.00 6.23 0.00 -1.82 -3.10 119.26 121.76 2ctr h ALA 75 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ctr h ALA 75 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ctr h ALA 75 CO 0.07 -0.23 0.00 0.34 0.00 0.00 0.00 179.25 179.42 2ctr n PHE 76 N -4.85 0.23 -1.88 0.00 -0.00 -1.22 -2.33 117.46 107.41 2ctr n PHE 76 Ca -0.08 0.11 -0.33 0.00 -0.00 0.00 0.00 57.45 57.14 2ctr n PHE 76 Cb 0.29 -0.67 0.04 0.00 -0.00 0.00 0.00 39.48 39.14 2ctr n PHE 76 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ctr n THR 77 N -1.73 3.18 -2.83 -2.13 -2.24 -0.90 -4.98 114.28 102.65 2ctr n THR 77 Ca 0.01 -4.02 -0.43 0.00 -2.27 0.00 0.00 64.05 57.34 2ctr n THR 77 Cb 0.08 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.06 2ctr n THR 77 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ctr s SER 78 N -2.22 6.54 0.00 3.42 0.15 -0.99 -4.12 113.70 116.48 2ctr s SER 78 Ca 0.55 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2ctr s SER 78 Cb 0.45 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2ctr s SER 78 CO -0.18 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 173.89 2ctr n GLY 79 N 4.79 3.07 3.51 9.45 0.00 -1.26 -5.10 105.19 119.64 2ctr n GLY 79 Ca 0.06 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 2ctr n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ctr s LYS 80 N 0.00 0.94 0.00 1.61 2.47 -1.26 -5.15 119.74 118.36 2ctr s LYS 80 Ca 0.00 0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.81 2ctr s LYS 80 Cb 0.00 0.45 0.00 0.00 -1.46 0.00 0.00 37.83 36.82 2ctr s LYS 80 CO 0.00 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 175.67 2ctr n GLY 81 N 1.44 -0.12 3.80 5.54 0.00 -1.26 -4.95 105.19 109.63 2ctr n GLY 81 Ca -0.18 0.74 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 2ctr n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ctr s GLN 82 N 0.00 4.29 0.13 1.61 1.03 -1.26 -5.06 119.66 120.40 2ctr s GLN 82 Ca 0.00 0.83 -0.25 0.00 0.04 0.00 0.00 55.36 55.98 2ctr s GLN 82 Cb 0.00 -3.25 0.07 0.00 0.03 0.00 0.00 33.01 29.86 2ctr s GLN 82 CO 0.00 0.60 0.77 -1.12 -2.54 0.00 0.00 175.29 173.00 2ctr s SER 83 N -1.04 -0.39 0.00 12.60 0.01 -1.26 -5.06 113.70 118.57 2ctr s SER 83 Ca 0.31 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2ctr s SER 83 Cb -0.20 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2ctr s SER 83 CO 0.20 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2ctr n GLY 84 N -0.37 0.40 3.77 3.44 0.00 -1.26 -5.07 105.19 106.10 2ctr n GLY 84 Ca -0.10 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2ctr n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctr s PRO 85 N -2.52 3.19 -0.67 1.61 0.04 -1.26 -4.98 135.00 130.40 2ctr s PRO 85 Ca 0.00 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 2ctr s PRO 85 Cb 0.00 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.65 2ctr s PRO 85 CO 0.00 -0.97 0.89 0.45 0.04 0.00 0.00 177.00 177.41 2ctr s SER 86 N -2.01 6.25 -0.18 6.66 0.15 -1.26 -4.86 113.70 118.45 2ctr s SER 86 Ca 0.71 -1.32 -0.22 0.00 0.70 0.00 0.00 55.95 55.81 2ctr s SER 86 Cb -0.23 -2.37 -0.22 0.00 -1.71 0.00 0.00 66.02 61.49 2ctr s SER 86 CO 0.31 -1.26 0.39 0.28 1.20 0.00 0.00 173.24 174.16 2ctr h SER 87 N 9.30 0.05 0.00 5.45 0.02 -1.96 -3.56 113.55 122.84 2ctr h SER 87 Ca -0.22 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2ctr h SER 87 Cb 1.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2ctr h SER 87 CO 1.14 1.39 0.00 0.61 -1.14 0.00 0.00 176.83 178.83