#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctr s SER 2 N 0.00 3.91 -0.13 1.61 0.01 -1.26 -5.07 113.70 112.77 2ctr s SER 2 Ca 0.00 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 2ctr s SER 2 Cb 0.00 -1.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2ctr s SER 2 CO 0.00 0.03 1.85 -0.94 0.41 0.00 0.00 173.24 174.59 2ctr s SER 3 N 1.14 6.23 -0.65 2.44 1.04 -1.26 -4.88 113.70 117.75 2ctr s SER 3 Ca 0.01 2.03 -0.06 0.00 0.48 0.00 0.00 55.95 58.41 2ctr s SER 3 Cb -0.14 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.37 2ctr s SER 3 CO -0.03 -1.32 3.06 0.61 0.98 0.00 0.00 173.24 176.53 2ctr n GLY 4 N 4.81 3.98 3.44 7.32 0.00 -1.26 -4.86 105.19 118.62 2ctr n GLY 4 Ca 0.21 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 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 1.29 6.40 0.19 1.61 0.15 -1.26 -4.87 113.70 117.21 2ctr s SER 5 Ca 0.63 -1.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.61 2ctr s SER 5 Cb 0.29 -2.40 0.22 0.00 -1.71 0.00 0.00 66.02 62.43 2ctr s SER 5 CO -0.09 -1.23 1.23 -1.54 1.20 0.00 0.00 173.24 172.82 2ctr n SER 6 N 7.02 -0.47 0.00 5.45 3.41 -1.26 -4.79 113.62 122.97 2ctr n SER 6 Ca 0.09 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 60.09 2ctr n SER 6 Cb 0.47 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ctr n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctr n GLY 7 N -1.40 2.84 3.79 5.00 0.00 -1.26 -4.01 105.19 110.16 2ctr n GLY 7 Ca 0.09 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 5.53 0.13 1.61 0.01 -1.26 -4.97 113.70 110.75 2ctr s SER 8 Ca 0.00 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 2ctr s SER 8 Cb 0.00 -1.46 -0.06 0.00 0.21 0.00 0.00 66.02 64.70 2ctr s SER 8 CO 0.00 0.11 1.46 1.88 0.41 0.00 0.00 173.24 177.10 2ctr h TYR 9 N 2.73 -1.61 -1.14 2.43 0.05 -1.91 0.67 116.97 118.18 2ctr h TYR 9 Ca -0.47 0.11 0.38 0.00 0.05 0.00 0.00 58.73 58.79 2ctr h TYR 9 Cb 1.19 0.81 -0.10 0.00 1.01 0.00 0.00 36.73 39.64 2ctr h TYR 9 CO 0.59 -0.33 0.75 0.66 -1.05 0.00 0.00 178.16 178.78 2ctr n TYR 10 N -4.94 0.42 -0.06 4.88 4.01 -1.26 0.12 117.16 120.33 2ctr n TYR 10 Ca 0.01 0.43 -0.11 0.00 -0.16 0.00 0.00 57.90 58.07 2ctr n TYR 10 Cb 0.23 -0.83 -0.10 0.00 -0.31 0.00 0.00 39.34 38.34 2ctr n TYR 10 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2ctr h ASP 11 N 0.00 -0.00 -0.84 7.72 3.58 0.10 0.18 116.42 127.16 2ctr h ASP 11 Ca 0.68 -0.75 0.11 0.00 0.42 0.00 0.00 57.03 57.48 2ctr h ASP 11 Cb 2.29 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 43.26 2ctr h ASP 11 CO -0.28 0.87 0.46 0.40 -2.88 0.00 0.00 179.24 177.81 2ctr h ILE 12 N -0.99 0.84 0.22 2.25 2.04 0.15 -2.35 117.51 119.68 2ctr h ILE 12 Ca -0.00 -0.25 -0.33 0.00 1.00 0.00 0.00 64.86 65.28 2ctr h ILE 12 Cb 0.76 0.05 0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2ctr h ILE 12 CO 0.00 0.13 -1.51 -0.07 0.00 0.00 0.00 178.15 176.71 2ctr h LEU 13 N 0.73 0.74 0.00 1.44 3.38 -0.80 -3.47 115.31 117.34 2ctr h LEU 13 Ca 0.42 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2ctr h LEU 13 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2ctr h LEU 13 CO -0.29 1.67 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2ctr n GLY 14 N 1.72 1.72 3.53 0.83 0.00 0.24 -4.76 105.19 108.47 2ctr n GLY 14 Ca -0.17 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 3.00 0.82 1.61 -7.23 0.39 -5.00 120.40 111.99 2ctr s VAL 15 Ca 0.00 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 2ctr s VAL 15 Cb 0.00 -2.45 0.09 0.00 0.56 0.00 0.00 36.38 34.58 2ctr s VAL 15 CO 0.00 -0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 173.67 2ctr s PRO 16 N -2.63 1.84 0.48 4.82 0.04 -1.26 -4.50 135.00 133.80 2ctr s PRO 16 Ca 0.23 1.03 0.19 0.00 0.04 0.00 0.00 61.00 62.49 2ctr s PRO 16 Cb -0.09 -1.86 1.20 0.00 0.04 0.00 0.00 34.50 33.79 2ctr s PRO 16 CO 0.13 -1.89 2.04 0.87 0.04 0.00 0.00 177.00 178.19 2ctr h LYS 17 N -1.30 0.00 -0.54 4.56 6.56 -2.00 -1.43 116.57 122.41 2ctr h LYS 17 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2ctr h LYS 17 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2ctr h LYS 17 CO 0.53 0.14 0.00 0.43 -2.06 0.00 0.00 179.45 178.49 2ctr n SER 18 N -4.12 4.85 -4.68 0.86 7.64 -1.26 -5.00 113.62 111.92 2ctr n SER 18 Ca -0.02 -2.69 -0.45 0.00 1.01 0.00 0.00 58.87 56.72 2ctr n SER 18 Cb 0.22 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 2ctr n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ctr n ALA 19 N 0.63 1.37 -1.81 -0.43 0.00 -0.54 -4.95 120.51 114.77 2ctr n ALA 19 Ca 0.25 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.78 2ctr n ALA 19 Cb 0.97 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 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 0.63 6.74 0.25 0.00 0.01 -1.26 -4.76 113.70 115.31 2ctr s SER 20 Ca 0.73 1.78 0.04 0.00 1.31 0.00 0.00 55.95 59.81 2ctr s SER 20 Cb -0.65 -2.55 0.67 0.00 0.21 0.00 0.00 66.02 63.70 2ctr s SER 20 CO 0.43 -0.50 1.24 1.21 0.41 0.00 0.00 173.24 176.04 2ctr n GLU 21 N -0.72 -0.06 -0.20 12.44 2.13 -1.26 0.22 120.64 133.18 2ctr n GLU 21 Ca 0.08 1.17 -0.07 0.00 0.66 0.00 0.00 57.16 59.01 2ctr n GLU 21 Cb 0.53 -1.90 0.03 0.00 0.27 0.00 0.00 31.44 30.38 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 0.77 -0.75 5.31 9.65 -1.98 0.18 114.38 127.56 2ctr h ARG 22 Ca 0.51 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.32 2ctr h ARG 22 Cb 1.10 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 29.48 2ctr h ARG 22 CO -0.73 0.54 0.46 1.96 2.80 0.00 0.00 179.97 185.00 2ctr h GLN 23 N 0.77 1.01 0.04 0.20 4.20 0.23 0.22 115.11 121.78 2ctr h GLN 23 Ca 0.21 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2ctr h GLN 23 Cb -0.04 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2ctr h GLN 23 CO -0.04 0.71 -0.02 0.82 -0.67 0.00 0.00 178.83 179.63 2ctr h ILE 24 N 1.02 1.22 -0.47 2.54 2.04 -0.86 0.21 117.51 123.20 2ctr h ILE 24 Ca 0.27 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2ctr h ILE 24 Cb -0.05 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2ctr h ILE 24 CO -0.05 0.21 0.20 0.11 0.00 0.00 0.00 178.15 178.62 2ctr h LYS 25 N -0.42 0.66 -0.00 2.37 1.57 -0.84 0.61 116.57 120.52 2ctr h LYS 25 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ctr h LYS 25 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ctr h LYS 25 CO 0.01 0.54 -0.02 0.87 -0.57 0.00 0.00 179.45 180.27 2ctr h LYS 26 N 0.66 0.02 -0.40 3.15 1.79 -0.48 -1.91 116.57 119.39 2ctr h LYS 26 Ca 0.16 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2ctr h LYS 26 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2ctr h LYS 26 CO -0.02 0.72 0.25 0.00 -1.08 0.00 0.00 179.45 179.32 2ctr h ALA 27 N 0.30 0.51 0.36 3.86 0.00 -0.43 -2.56 119.26 121.31 2ctr h ALA 27 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ctr h ALA 27 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ctr h ALA 27 CO 0.00 -0.06 -0.17 0.35 0.00 0.00 0.00 179.25 179.37 2ctr h PHE 28 N 0.52 -0.45 -0.77 0.00 3.57 -0.97 -2.39 116.94 116.44 2ctr h PHE 28 Ca 0.15 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2ctr h PHE 28 Cb -0.04 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 38.76 2ctr h PHE 28 CO -0.06 -0.28 -0.44 0.72 -2.23 0.00 0.00 178.31 176.02 2ctr n HIS 29 N -3.56 -0.30 -0.20 0.41 8.25 -0.72 0.11 115.22 119.21 2ctr n HIS 29 Ca -0.06 0.96 0.01 0.00 -0.26 0.00 0.00 57.72 58.37 2ctr n HIS 29 Cb 0.19 -0.59 0.11 0.00 1.12 0.00 0.00 29.99 30.82 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 0.26 0.53 -0.41 1.57 -1.51 -2.43 116.57 114.58 2ctr h LYS 30 Ca 0.14 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2ctr h LYS 30 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2ctr h LYS 30 CO -0.73 0.17 -0.37 -0.07 -0.57 0.00 0.00 179.45 177.88 2ctr h LEU 31 N 0.26 -0.94 -1.22 2.94 3.38 0.13 -2.19 115.31 117.67 2ctr h LEU 31 Ca 0.31 0.06 0.45 0.00 0.09 0.00 0.00 57.88 58.80 2ctr h LEU 31 Cb 0.46 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 2ctr h LEU 31 CO -0.40 -0.56 0.74 0.00 0.09 0.00 0.00 178.44 178.32 2ctr n ALA 32 N -2.61 1.23 0.03 1.53 0.00 0.28 0.23 120.51 121.20 2ctr n ALA 32 Ca -0.12 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.14 2ctr n ALA 32 Cb 0.39 -1.04 0.02 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 0.51 -0.04 0.00 2.86 -1.18 1.28 114.93 118.37 2ctr h MET 33 Ca 0.86 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 58.00 2ctr h MET 33 Cb 2.59 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 34.31 2ctr h MET 33 CO -0.59 1.02 -0.47 -0.22 1.06 0.00 0.00 176.91 177.72 2ctr h LYS 34 N 0.36 0.09 0.00 1.72 3.64 0.34 -3.15 116.57 119.57 2ctr h LYS 34 Ca -0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2ctr h LYS 34 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2ctr h LYS 34 CO 0.13 0.54 -0.30 0.66 -2.27 0.00 0.00 179.45 178.21 2ctr n TYR 35 N -3.98 0.00 -1.75 1.91 4.01 -0.04 -4.95 117.16 112.36 2ctr n TYR 35 Ca -0.02 -1.12 -0.42 0.00 -0.16 0.00 0.00 57.90 56.19 2ctr n TYR 35 Cb 0.50 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.68 2.18 -1.47 -0.72 2.46 0.44 -4.19 115.29 111.31 2ctr s HIS 36 Ca 0.33 0.03 0.15 0.00 0.47 0.00 0.00 55.06 56.03 2ctr s HIS 36 Cb 0.31 -4.14 0.76 0.00 -0.13 0.00 0.00 32.58 29.37 2ctr s HIS 36 CO -0.02 -4.71 1.40 -0.35 -2.47 0.00 0.00 174.74 168.59 2ctr n PRO 37 N 5.69 0.23 -0.12 2.88 -0.04 -1.26 -0.53 135.00 141.85 2ctr n PRO 37 Ca 0.17 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.53 2ctr n PRO 37 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 2ctr n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ctr n ASP 38 N -1.27 1.97 0.13 3.54 9.92 -1.26 -4.58 116.55 125.01 2ctr n ASP 38 Ca 0.07 0.20 -0.24 0.00 -0.53 0.00 0.00 54.79 54.29 2ctr n ASP 38 Cb 0.11 -0.72 -0.16 0.00 -0.64 0.00 0.00 41.12 39.71 2ctr n ASP 38 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2ctr h LYS 39 N -0.60 0.50 -6.70 -1.24 1.79 -1.90 -3.45 116.57 104.96 2ctr h LYS 39 Ca -0.60 -0.86 -0.50 0.00 -2.18 0.00 0.00 60.65 56.51 2ctr h LYS 39 Cb 1.70 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 32.66 2ctr h LYS 39 CO -0.25 1.41 0.41 1.21 -1.08 0.00 0.00 179.45 181.15 2ctr s ASN 40 N -7.51 7.44 -0.60 0.86 3.84 0.31 -4.98 114.94 114.31 2ctr s ASN 40 Ca -0.10 2.03 0.03 0.00 0.21 0.00 0.00 52.86 55.03 2ctr s ASN 40 Cb 0.04 -2.61 0.39 0.00 -0.55 0.00 0.00 41.25 38.53 2ctr s ASN 40 CO 0.93 -0.04 1.40 0.29 -2.79 0.00 0.00 177.10 176.88 2ctr n LYS 41 N 1.89 3.30 -4.05 0.43 4.76 -1.26 -4.71 118.16 118.51 2ctr n LYS 41 Ca 0.00 -4.26 -0.09 0.00 -2.87 0.00 0.00 58.31 51.09 2ctr n LYS 41 Cb 0.47 -2.26 -0.11 0.00 -1.84 0.00 0.00 35.03 31.29 2ctr n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ctr s SER 42 N -2.72 0.53 0.02 4.39 0.01 -1.26 -5.07 113.70 109.61 2ctr s SER 42 Ca 0.49 -0.74 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 2ctr s SER 42 Cb 0.39 0.12 -0.16 0.00 0.21 0.00 0.00 66.02 66.59 2ctr s SER 42 CO -0.25 -0.40 1.33 1.55 0.41 0.00 0.00 173.24 175.87 2ctr h PRO 43 N 3.92 0.27 -0.79 12.44 0.13 -2.02 -3.22 132.00 142.73 2ctr h PRO 43 Ca -0.34 -0.14 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 2ctr h PRO 43 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2ctr h PRO 43 CO 0.52 0.67 0.44 0.38 -0.23 0.00 0.00 178.00 179.78 2ctr h ASP 44 N -0.13 0.62 -0.46 1.44 2.03 -2.00 -2.13 116.42 115.78 2ctr h ASP 44 Ca 0.02 0.05 0.09 0.00 -0.73 0.00 0.00 57.03 56.46 2ctr h ASP 44 Cb 0.63 -0.07 -0.09 0.00 -0.83 0.00 0.00 39.33 38.97 2ctr h ASP 44 CO 0.03 0.35 -0.09 0.00 -1.03 0.00 0.00 179.24 178.50 2ctr h ALA 45 N 1.44 0.33 -0.87 4.15 0.00 -1.90 0.96 119.26 123.36 2ctr h ALA 45 Ca 0.38 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.59 2ctr h ALA 45 Cb 0.35 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2ctr h ALA 45 CO -0.25 -0.44 0.48 1.49 0.00 0.00 0.00 179.25 180.54 2ctr h GLU 46 N 0.02 0.71 -0.41 0.00 4.81 -1.42 -0.98 114.58 117.30 2ctr h GLU 46 Ca 0.22 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 2ctr h GLU 46 Cb 0.34 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2ctr h GLU 46 CO -0.46 0.47 -0.34 0.00 -0.73 0.00 0.00 179.01 177.95 2ctr h ALA 47 N 1.53 0.60 0.70 2.92 0.00 -0.99 -2.84 119.26 121.18 2ctr h ALA 47 Ca 0.45 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ctr h ALA 47 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ctr h ALA 47 CO -0.31 0.68 -0.50 0.87 0.00 0.00 0.00 179.25 179.99 2ctr h LYS 48 N 0.80 -1.10 -0.99 0.00 1.79 0.38 -2.55 116.57 114.89 2ctr h LYS 48 Ca 0.07 0.08 0.19 0.00 -2.18 0.00 0.00 60.65 58.80 2ctr h LYS 48 Cb 0.94 0.25 -0.10 0.00 -1.58 0.00 0.00 32.23 31.74 2ctr h LYS 48 CO 0.09 -0.73 0.61 0.35 -1.08 0.00 0.00 179.45 178.69 2ctr h PHE 49 N -1.14 1.01 -0.19 -1.35 3.04 -1.37 0.37 116.94 117.31 2ctr h PHE 49 Ca -0.09 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.94 2ctr h PHE 49 Cb 0.94 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 2ctr h PHE 49 CO -0.15 0.25 0.36 -0.09 -2.02 0.00 0.00 178.31 176.65 2ctr h ARG 50 N 0.74 0.00 0.00 1.11 9.65 -1.19 0.88 114.38 125.57 2ctr h ARG 50 Ca 0.56 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 59.08 2ctr h ARG 50 Cb 0.90 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.41 2ctr h ARG 50 CO -0.34 0.00 -2.30 0.39 2.80 0.00 0.00 179.97 180.52 2ctr n GLU 51 N -3.33 0.68 -0.09 0.20 -0.58 0.12 -4.01 120.64 113.63 2ctr n GLU 51 Ca 0.02 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 2ctr n GLU 51 Cb 0.46 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.30 0.28 -3.67 2.04 -0.08 -2.68 117.51 114.70 2ctr h ILE 52 Ca -0.51 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 2ctr h ILE 52 Cb 2.20 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2ctr h ILE 52 CO 0.03 0.39 -0.14 0.00 0.00 0.00 0.00 178.15 178.44 2ctr h ALA 53 N 0.73 -1.00 -1.25 1.87 0.00 -1.20 -1.82 119.26 116.60 2ctr h ALA 53 Ca 0.06 -0.08 0.39 0.00 0.00 0.00 0.00 54.91 55.28 2ctr h ALA 53 Cb 0.67 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 2ctr h ALA 53 CO 0.04 -0.97 0.80 1.49 0.00 0.00 0.00 179.25 180.62 2ctr h GLU 54 N -0.41 0.15 -0.47 0.00 4.57 -1.70 0.86 114.58 117.59 2ctr h GLU 54 Ca -0.04 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 2ctr h GLU 54 Cb 0.29 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2ctr h GLU 54 CO 0.06 0.10 -0.06 0.00 -1.18 0.00 0.00 179.01 177.93 2ctr h ALA 55 N 1.61 0.64 0.03 2.92 0.00 -1.31 -3.23 119.26 119.90 2ctr h ALA 55 Ca 0.77 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 2ctr h ALA 55 Cb 2.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2ctr h ALA 55 CO -0.39 0.49 -0.01 -0.92 0.00 0.00 0.00 179.25 178.42 2ctr h TYR 56 N 0.71 -0.03 -0.78 0.00 3.20 0.15 -3.05 116.97 117.17 2ctr h TYR 56 Ca 0.12 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.18 2ctr h TYR 56 Cb 0.59 0.01 -0.15 0.00 1.54 0.00 0.00 36.73 38.72 2ctr h TYR 56 CO 0.04 0.53 -0.10 0.39 -1.64 0.00 0.00 178.16 177.39 2ctr n GLU 57 N -4.83 -0.07 -0.00 1.82 1.02 0.26 0.22 120.64 119.06 2ctr n GLU 57 Ca -0.09 1.19 -0.13 0.00 -0.02 0.00 0.00 57.16 58.12 2ctr n GLU 57 Cb 0.29 -1.83 -0.09 0.00 -0.02 0.00 0.00 31.44 29.78 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 1.31 -0.04 2.62 2.02 -1.60 -2.86 112.91 114.36 2ctr h THR 58 Ca 0.42 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2ctr h THR 58 Cb 0.75 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2ctr h THR 58 CO -0.77 0.25 0.00 0.18 0.37 0.00 0.00 175.52 175.55 2ctr n LEU 59 N -4.90 0.40 -0.11 2.58 4.77 0.20 -1.37 117.00 118.59 2ctr n LEU 59 Ca -0.08 -0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.48 2ctr n LEU 59 Cb 0.22 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 2ctr n LEU 59 CO 0.33 0.09 -0.69 -0.24 -1.33 0.00 0.00 177.39 175.55 2ctr n SER 60 N -0.31 1.88 -2.99 -1.43 2.88 0.59 -4.86 113.62 109.38 2ctr n SER 60 Ca 0.01 0.43 -0.15 0.00 -1.33 0.00 0.00 58.87 57.83 2ctr n SER 60 Cb 0.08 -0.92 0.11 0.00 -0.75 0.00 0.00 64.21 62.74 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 -4.42 -0.48 -0.04 -3.46 2.03 -1.21 -4.99 116.55 103.98 2ctr n ASP 61 Ca -0.33 -1.11 -0.03 0.00 0.52 0.00 0.00 54.79 53.84 2ctr n ASP 61 Cb 0.67 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.54 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 -3.61 0.31 -0.33 -1.67 0.00 -1.26 -3.73 120.51 110.21 2ctr n ALA 62 Ca -0.11 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 52.99 2ctr n ALA 62 Cb 0.30 0.01 0.20 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.45 0.84 0.39 0.00 2.35 -1.97 0.28 115.58 117.02 2ctr h ASN 63 Ca 0.00 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2ctr h ASN 63 Cb 0.35 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2ctr h ASN 63 CO 0.00 0.48 -0.19 0.03 -1.65 0.00 0.00 177.43 176.10 2ctr h ARG 64 N 0.94 -0.50 0.00 0.81 3.08 -1.81 -1.52 114.38 115.38 2ctr h ARG 64 Ca 0.45 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.48 2ctr h ARG 64 Cb 0.38 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2ctr h ARG 64 CO -0.24 -0.30 -0.22 -0.09 -1.07 0.00 0.00 179.97 178.05 2ctr h ARG 65 N -0.58 0.00 -0.32 0.04 1.12 -0.76 -1.47 114.38 112.42 2ctr h ARG 65 Ca -0.05 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.78 2ctr h ARG 65 Cb 0.43 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2ctr h ARG 65 CO 0.09 0.22 0.05 -0.22 -3.11 0.00 0.00 179.97 177.00 2ctr h LYS 66 N 0.00 0.53 -0.15 0.20 3.64 -0.13 -2.45 116.57 118.22 2ctr h LYS 66 Ca -0.00 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2ctr h LYS 66 Cb 0.39 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2ctr h LYS 66 CO 0.03 0.62 -0.22 0.93 -2.27 0.00 0.00 179.45 178.54 2ctr h GLU 67 N 0.36 0.41 0.00 1.90 5.08 -0.99 -0.37 114.58 120.98 2ctr h GLU 67 Ca 0.10 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ctr h GLU 67 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2ctr h GLU 67 CO 0.01 0.83 0.00 0.98 -1.00 0.00 0.00 179.01 179.83 2ctr n TYR 68 N -4.47 0.04 -0.09 4.33 4.19 -0.58 0.09 117.16 120.67 2ctr n TYR 68 Ca -0.06 0.02 -0.12 0.00 3.31 0.00 0.00 57.90 61.05 2ctr n TYR 68 Cb 0.42 -0.53 -0.10 0.00 0.49 0.00 0.00 39.34 39.62 2ctr n TYR 68 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 2ctr n ASP 69 N -1.54 2.18 0.20 2.98 -0.08 -0.93 -3.07 116.55 116.29 2ctr n ASP 69 Ca 0.00 -0.07 0.10 0.00 -1.51 0.00 0.00 54.79 53.31 2ctr n ASP 69 Cb 0.03 0.02 0.13 0.00 2.34 0.00 0.00 41.12 43.64 2ctr n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ctr h THR 70 N 0.00 0.20 0.00 5.18 1.03 -0.33 -3.36 112.91 115.62 2ctr h THR 70 Ca -0.42 -1.28 -0.36 0.00 -0.01 0.00 0.00 66.41 64.33 2ctr h THR 70 Cb 1.74 2.09 -0.06 0.00 -1.07 0.00 0.00 68.15 70.84 2ctr h THR 70 CO -0.04 0.11 -2.24 0.18 -0.01 0.00 0.00 175.52 173.53 2ctr n LEU 71 N -3.12 1.82 0.00 0.00 4.77 0.11 -5.07 117.00 115.52 2ctr n LEU 71 Ca 0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2ctr n LEU 71 Cb 0.58 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2ctr n LEU 71 CO 0.36 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2ctr n GLY 72 N 1.76 0.28 1.27 -0.72 0.00 -1.17 -4.67 105.19 101.94 2ctr n GLY 72 Ca -0.43 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.12 0.48 1.61 -0.00 -1.26 -4.41 115.22 111.51 2ctr n HIS 73 Ca 0.00 0.02 0.10 0.00 0.46 0.00 0.00 57.72 58.30 2ctr n HIS 73 Cb 0.00 0.14 0.42 0.00 -0.12 0.00 0.00 29.99 30.43 2ctr n HIS 73 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2ctr n SER 74 N -2.98 0.38 -0.01 0.26 2.88 -1.26 -2.64 113.62 110.25 2ctr n SER 74 Ca 0.00 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 58.12 2ctr n SER 74 Cb 0.30 -0.67 -0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2ctr n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ctr n ALA 75 N -1.65 0.13 -0.34 -1.46 0.00 -1.26 -3.69 120.51 112.24 2ctr n ALA 75 Ca 0.03 -0.33 0.30 0.00 0.00 0.00 0.00 53.44 53.44 2ctr n ALA 75 Cb 0.22 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.14 0.82 -2.13 0.00 3.04 -1.77 -2.27 116.94 114.48 2ctr h PHE 76 Ca 0.00 0.04 -0.58 0.00 3.98 0.00 0.00 57.97 61.40 2ctr h PHE 76 Cb 0.14 -0.20 -0.41 0.00 2.56 0.00 0.00 35.95 38.05 2ctr h PHE 76 CO -0.06 -0.35 -0.81 -2.37 -2.02 0.00 0.00 178.31 172.70 2ctr n THR 77 N -5.12 1.06 -3.34 4.41 5.66 -1.08 -5.00 114.28 110.86 2ctr n THR 77 Ca 0.36 -4.70 -0.46 0.00 -3.05 0.00 0.00 64.05 56.21 2ctr n THR 77 Cb 1.22 -2.04 -0.01 0.00 -1.55 0.00 0.00 70.33 67.96 2ctr n THR 77 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2ctr s SER 78 N -1.90 7.19 0.00 1.09 0.15 -0.86 -4.69 113.70 114.69 2ctr s SER 78 Ca 0.38 -3.38 0.00 0.00 0.70 0.00 0.00 55.95 53.65 2ctr s SER 78 Cb 0.15 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2ctr s SER 78 CO -0.06 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2ctr n GLY 79 N 3.01 1.26 0.11 9.45 0.00 -1.26 -5.04 105.19 112.72 2ctr n GLY 79 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 2ctr n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctr h LYS 80 N 0.00 0.11 -1.20 1.61 1.57 -2.03 -3.51 116.57 113.11 2ctr h LYS 80 Ca 0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2ctr h LYS 80 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ctr h LYS 80 CO 0.00 1.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.38 2ctr n GLY 81 N 1.63 -2.60 2.31 3.86 0.00 -1.26 -4.89 105.19 104.23 2ctr n GLY 81 Ca -0.29 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 0.47 2.60 -2.59 1.61 1.13 -1.26 -4.95 117.38 114.40 2ctr n GLN 82 Ca 0.00 -3.13 -0.43 0.00 -1.94 0.00 0.00 57.00 51.50 2ctr n GLN 82 Cb 0.00 -2.22 -0.02 0.00 0.11 0.00 0.00 30.24 28.11 2ctr n GLN 82 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2ctr s SER 83 N -1.61 6.72 0.40 1.08 1.04 -1.26 -5.01 113.70 115.06 2ctr s SER 83 Ca 0.61 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 57.53 2ctr s SER 83 Cb 0.48 -2.55 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 2ctr s SER 83 CO -0.02 -1.13 1.04 -0.83 0.98 0.00 0.00 173.24 173.28 2ctr s GLY 84 N 2.29 2.71 0.47 7.32 0.00 -1.26 -4.94 107.32 113.91 2ctr s GLY 84 Ca 0.48 0.67 0.31 0.00 0.00 0.00 0.00 44.72 46.19 2ctr s GLY 84 CO 0.26 1.09 1.92 -0.56 0.00 0.00 0.00 173.10 175.81 2ctr h PRO 85 N 2.47 0.00 0.89 2.90 0.13 -2.03 -3.25 132.00 133.11 2ctr h PRO 85 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2ctr h PRO 85 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ctr h PRO 85 CO 0.62 0.00 -0.49 1.03 -0.23 0.00 0.00 178.00 178.94 2ctr h SER 86 N 0.00 -1.19 -2.65 1.44 0.87 -2.02 -3.43 113.55 106.56 2ctr h SER 86 Ca 0.00 0.05 -0.52 0.00 -1.23 0.00 0.00 61.79 60.09 2ctr h SER 86 Cb 0.45 0.33 0.23 0.00 -0.44 0.00 0.00 62.40 62.97 2ctr h SER 86 CO 0.00 -0.78 -1.20 -1.20 -0.53 0.00 0.00 176.83 173.12 2ctr n SER 87 N -5.59 -3.38 0.00 6.23 7.64 -1.23 -5.04 113.62 112.25 2ctr n SER 87 Ca -0.16 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ctr n SER 87 Cb 0.51 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2ctr n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64