#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nti s GLN 2 N 0.00 1.60 0.11 1.43 -0.21 -1.26 -5.03 119.66 116.30 1nti s GLN 2 Ca 0.00 -1.56 -0.21 0.00 0.02 0.00 0.00 55.36 53.61 1nti s GLN 2 Cb 0.00 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 1nti s GLN 2 CO 0.00 -0.81 1.18 0.00 -2.12 0.00 0.00 175.29 173.53 1nti n ALA 3 N 4.40 -0.43 -0.19 6.09 0.00 -1.26 -0.36 120.51 128.77 1nti n ALA 3 Ca -0.03 0.57 -0.04 0.00 0.00 0.00 0.00 53.44 53.94 1nti n ALA 3 Cb 0.42 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1nti n ALA 3 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1nti h GLU 4 N 0.00 -0.13 0.02 0.00 4.11 -1.98 0.39 114.58 116.98 1nti h GLU 4 Ca 0.11 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 1nti h GLU 4 Cb 0.27 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nti h GLU 4 CO -0.63 -0.09 -0.16 0.35 0.07 0.00 0.00 179.01 178.55 1nti h PHE 5 N -0.14 0.13 -0.53 2.06 3.57 -1.70 -1.15 116.94 119.19 1nti h PHE 5 Ca 0.24 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1nti h PHE 5 Cb 0.53 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1nti h PHE 5 CO -0.59 0.97 0.21 -0.44 -2.23 0.00 0.00 178.31 176.23 1nti h ASP 6 N -0.74 0.24 -0.06 0.41 5.19 -0.60 0.42 116.42 121.29 1nti h ASP 6 Ca -0.02 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1nti h ASP 6 Cb 1.03 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 1nti h ASP 6 CO 0.03 0.16 0.03 0.50 -3.12 0.00 0.00 179.24 176.85 1nti h LYS 7 N 0.40 0.08 -0.20 3.56 1.63 -0.27 0.28 116.57 122.04 1nti h LYS 7 Ca 0.25 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.10 1nti h LYS 7 Cb 0.25 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 1nti h LYS 7 CO -0.23 0.10 -0.20 0.00 -3.45 0.00 0.00 179.45 175.67 1nti h ALA 8 N 0.97 -0.08 -0.35 5.00 0.00 0.35 0.60 119.26 125.75 1nti h ALA 8 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1nti h ALA 8 Cb 0.04 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1nti h ALA 8 CO -0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 179.25 178.53 1nti h ALA 9 N 0.86 0.23 -0.28 0.00 0.00 0.23 0.18 119.26 120.49 1nti h ALA 9 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1nti h ALA 9 Cb 0.40 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nti h ALA 9 CO -0.33 -0.46 -0.26 1.49 0.00 0.00 0.00 179.25 179.69 1nti h GLU 10 N 0.00 0.66 -0.30 0.00 4.57 -0.16 -1.67 114.58 117.69 1nti h GLU 10 Ca 0.17 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1nti h GLU 10 Cb 0.26 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1nti h GLU 10 CO -0.36 0.95 0.03 0.93 -1.18 0.00 0.00 179.01 179.38 1nti h GLU 11 N 0.39 0.12 0.12 1.92 4.39 -0.31 -1.21 114.58 120.02 1nti h GLU 11 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1nti h GLU 11 Cb 0.82 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1nti h GLU 11 CO 0.06 0.08 -0.11 -0.24 -1.16 0.00 0.00 179.01 177.65 1nti h VAL 12 N 0.13 0.76 0.00 3.13 3.04 -0.57 0.11 116.25 122.85 1nti h VAL 12 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1nti h VAL 12 Cb 0.17 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1nti h VAL 12 CO -0.21 0.00 0.01 0.29 -1.01 0.00 0.00 177.57 176.65 1nti n LYS 13 N -5.22 0.00 -0.14 4.17 5.02 -0.64 -0.46 118.16 120.89 1nti n LYS 13 Ca -0.08 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.73 1nti n LYS 13 Cb 0.15 -1.51 0.12 0.00 -0.02 0.00 0.00 35.03 33.77 1nti n LYS 13 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1nti n HIS 14 N -1.46 0.31 -1.84 2.13 -0.00 0.23 -5.04 115.22 109.55 1nti n HIS 14 Ca 0.00 -0.65 -0.40 0.00 -0.00 0.00 0.00 57.72 56.67 1nti n HIS 14 Cb 0.01 -0.11 0.01 0.00 -0.00 0.00 0.00 29.99 29.91 1nti n HIS 14 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nti s LEU 15 N -1.64 4.13 0.25 0.27 1.43 0.39 -4.81 118.68 118.70 1nti s LEU 15 Ca 0.20 2.88 0.25 0.00 -1.03 0.00 0.00 54.13 56.43 1nti s LEU 15 Cb 0.14 -3.93 0.93 0.00 0.03 0.00 0.00 46.19 43.37 1nti s LEU 15 CO 0.07 -1.13 1.74 1.17 0.23 0.00 0.00 176.35 178.43 1nti n LYS 16 N -0.15 0.23 -3.94 1.70 4.81 0.14 -4.72 118.16 116.23 1nti n LYS 16 Ca 0.05 0.36 -0.22 0.00 -0.87 0.00 0.00 58.31 57.62 1nti n LYS 16 Cb 0.42 -1.86 -0.05 0.00 0.02 0.00 0.00 35.03 33.56 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1nti s THR 17 N -3.25 2.99 -1.09 3.15 2.01 -1.25 -5.06 115.64 113.14 1nti s THR 17 Ca 0.06 -1.55 -0.13 0.00 0.31 0.00 0.00 61.69 60.38 1nti s THR 17 Cb 0.10 -3.03 0.21 0.00 0.01 0.00 0.00 72.50 69.79 1nti s THR 17 CO 0.47 -0.12 1.19 -0.75 -0.69 0.00 0.00 174.62 174.71 1nti s LYS 18 N -3.94 4.01 0.16 4.92 2.20 -1.26 -5.04 119.74 120.79 1nti s LYS 18 Ca 0.41 -2.70 -0.25 0.00 -0.36 0.00 0.00 55.97 53.07 1nti s LYS 18 Cb -0.03 -4.77 -0.15 0.00 -1.51 0.00 0.00 37.83 31.37 1nti s LYS 18 CO 0.24 -1.51 0.47 -0.35 -0.36 0.00 0.00 175.35 173.85 1nti n PRO 19 N 4.45 0.00 -1.33 4.03 -0.04 -1.26 -4.92 135.00 135.94 1nti n PRO 19 Ca 0.27 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.45 1nti n PRO 19 Cb 0.43 -0.89 0.16 0.00 -0.04 0.00 0.00 33.50 33.16 1nti n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nti s ALA 20 N -0.82 1.34 0.00 0.55 0.00 -1.26 -4.60 121.76 116.98 1nti s ALA 20 Ca 0.56 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1nti s ALA 20 Cb -0.82 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1nti s ALA 20 CO 0.48 -2.56 0.45 -0.40 0.00 0.00 0.00 175.76 173.74 1nti n ASP 21 N -3.98 0.00 -0.28 0.00 5.68 -1.26 -0.25 116.55 116.46 1nti n ASP 21 Ca 0.06 0.45 0.08 0.00 -0.50 0.00 0.00 54.79 54.88 1nti n ASP 21 Cb 0.58 -0.15 0.23 0.00 -1.14 0.00 0.00 41.12 40.64 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nti h GLU 22 N 0.00 0.42 -0.32 0.11 3.07 -1.98 0.27 114.58 116.15 1nti h GLU 22 Ca 0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 1nti h GLU 22 Cb 0.00 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1nti h GLU 22 CO 0.00 0.28 -0.05 0.93 -1.40 0.00 0.00 179.01 178.77 1nti h GLU 23 N 0.43 0.60 -0.26 2.33 3.07 -1.55 0.42 114.58 119.61 1nti h GLU 23 Ca 0.47 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1nti h GLU 23 Cb 0.78 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.60 1nti h GLU 23 CO -0.46 0.76 -0.07 0.52 -1.40 0.00 0.00 179.01 178.37 1nti h MET 24 N 0.38 -0.00 -0.15 2.33 2.86 0.14 0.17 114.93 120.66 1nti h MET 24 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1nti h MET 24 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1nti h MET 24 CO 0.03 -0.00 0.06 -0.07 1.06 0.00 0.00 176.91 177.98 1nti h LEU 25 N -0.00 0.21 0.24 1.22 3.38 -0.39 0.43 115.31 120.39 1nti h LEU 25 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nti h LEU 25 Cb 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1nti h LEU 25 CO -0.27 0.32 -0.44 0.15 0.09 0.00 0.00 178.44 178.28 1nti h PHE 26 N 0.08 -1.27 0.00 1.13 3.04 0.20 0.17 116.94 120.30 1nti h PHE 26 Ca 0.05 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1nti h PHE 26 Cb 0.17 0.52 0.00 0.00 2.56 0.00 0.00 35.95 39.21 1nti h PHE 26 CO -0.01 -0.54 0.00 -0.89 -2.02 0.00 0.00 178.31 174.85 1nti n ILE 27 N -5.03 0.00 -0.05 1.41 -0.00 0.57 -1.05 119.36 115.20 1nti n ILE 27 Ca -0.08 1.04 -0.01 0.00 -0.00 0.00 0.00 62.75 63.69 1nti n ILE 27 Cb 0.37 -1.84 -0.01 0.00 -0.00 0.00 0.00 39.64 38.15 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nti n TYR 28 N -0.85 -0.06 0.25 1.39 9.36 0.15 0.05 117.16 127.46 1nti n TYR 28 Ca 0.00 0.16 -0.16 0.00 3.32 0.00 0.00 57.90 61.22 1nti n TYR 28 Cb 0.00 -0.45 -0.08 0.00 -0.63 0.00 0.00 39.34 38.19 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1nti h SER 29 N 0.00 -0.65 -0.63 2.98 4.64 -0.53 0.81 113.55 120.17 1nti h SER 29 Ca 0.02 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1nti h SER 29 Cb 0.05 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1nti h SER 29 CO -0.12 -0.41 0.36 0.45 -0.87 0.00 0.00 176.83 176.23 1nti h HIS 30 N -0.65 0.87 -0.02 4.77 3.86 0.12 0.19 115.15 124.30 1nti h HIS 30 Ca -0.05 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1nti h HIS 30 Cb 0.53 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1nti h HIS 30 CO -0.10 0.61 -0.19 -0.92 0.86 0.00 0.00 177.93 178.20 1nti h TYR 31 N 0.90 0.22 -0.26 2.45 5.03 -0.23 0.20 116.97 125.28 1nti h TYR 31 Ca 0.23 -0.11 0.01 0.00 2.58 0.00 0.00 58.73 61.44 1nti h TYR 31 Cb 0.02 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1nti h TYR 31 CO 0.01 0.86 0.15 0.87 -1.32 0.00 0.00 178.16 178.73 1nti h LYS 32 N -0.48 0.31 -0.54 1.82 1.79 -0.68 -0.17 116.57 118.62 1nti h LYS 32 Ca -0.02 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1nti h LYS 32 Cb 0.90 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1nti h LYS 32 CO 0.04 0.20 0.35 0.37 -1.08 0.00 0.00 179.45 179.33 1nti h GLN 33 N 0.32 0.69 -0.48 3.15 5.75 -0.63 -1.52 115.11 122.39 1nti h GLN 33 Ca 0.10 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1nti h GLN 33 Cb -0.01 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1nti h GLN 33 CO -0.04 0.46 -0.15 0.00 -2.65 0.00 0.00 178.83 176.44 1nti h ALA 34 N 1.21 0.83 0.00 3.38 0.00 -0.21 -2.57 119.26 121.89 1nti h ALA 34 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nti h ALA 34 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nti h ALA 34 CO -0.06 0.65 -0.58 1.79 0.00 0.00 0.00 179.25 181.05 1nti h THR 35 N 0.81 0.19 0.19 0.00 1.35 -1.01 -3.43 112.91 111.01 1nti h THR 35 Ca 0.12 -1.23 -0.35 0.00 -0.55 0.00 0.00 66.41 64.41 1nti h THR 35 Cb 0.69 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1nti h THR 35 CO 0.05 0.06 -1.71 0.58 -0.25 0.00 0.00 175.52 174.26 1nti h VAL 36 N -1.00 0.99 0.00 6.82 2.07 -1.60 -3.51 116.25 120.02 1nti h VAL 36 Ca -0.06 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1nti h VAL 36 Cb 0.61 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1nti h VAL 36 CO -0.04 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1nti n GLY 37 N 1.83 0.31 3.29 2.17 0.00 -0.63 -5.02 105.19 107.14 1nti n GLY 37 Ca -0.23 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 1nti n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nti n ASP 38 N 0.00 -2.72 -4.68 1.61 9.92 -1.10 -3.57 116.55 116.02 1nti n ASP 38 Ca 0.00 0.13 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 1nti n ASP 38 Cb 0.00 -1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 39.44 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nti s ILE 39 N -2.27 4.11 0.00 0.53 2.07 -1.26 -4.82 121.20 119.57 1nti s ILE 39 Ca 0.53 1.41 0.00 0.00 -1.41 0.00 0.00 60.65 61.18 1nti s ILE 39 Cb -0.15 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.53 1nti s ILE 39 CO 0.69 -0.06 0.76 -0.46 -1.91 0.00 0.00 174.94 173.97 1nti n ASN 40 N 5.90 1.29 -4.87 4.50 6.94 -1.26 -5.01 115.26 122.75 1nti n ASN 40 Ca 0.13 -1.58 -0.22 0.00 -0.02 0.00 0.00 54.58 52.89 1nti n ASN 40 Cb 0.45 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.83 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nti s THR 41 N -0.58 4.67 0.17 5.53 -4.23 -1.26 -5.08 115.64 114.86 1nti s THR 41 Ca 0.00 -1.27 -0.26 0.00 -1.18 0.00 0.00 61.69 58.98 1nti s THR 41 Cb 0.00 -3.54 -0.08 0.00 1.34 0.00 0.00 72.50 70.22 1nti s THR 41 CO 0.00 -0.34 0.80 -1.61 -0.54 0.00 0.00 174.62 172.94 1nti s GLU 42 N -3.90 4.61 0.04 3.99 0.41 -1.26 -5.00 118.70 117.59 1nti s GLU 42 Ca 0.34 1.21 -0.30 0.00 -0.41 0.00 0.00 54.97 55.80 1nti s GLU 42 Cb -0.08 -3.27 -0.08 0.00 -1.78 0.00 0.00 34.13 28.92 1nti s GLU 42 CO 0.26 0.55 1.70 0.50 -0.49 0.00 0.00 175.26 177.78 1nti s ARG 43 N -1.09 4.18 1.05 1.61 3.52 -1.26 -4.97 118.95 122.00 1nti s ARG 43 Ca 0.37 2.34 -0.12 0.00 -0.13 0.00 0.00 55.73 58.19 1nti s ARG 43 Cb -0.23 -3.77 0.22 0.00 -1.56 0.00 0.00 34.95 29.61 1nti s ARG 43 CO 0.27 -0.79 1.07 -1.25 -0.81 0.00 0.00 175.30 173.79 1nti s PRO 44 N 3.23 -0.07 0.00 5.12 0.04 -1.26 -5.06 135.00 137.00 1nti s PRO 44 Ca 0.76 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1nti s PRO 44 Cb -0.39 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1nti s PRO 44 CO 0.33 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1nti n GLY 45 N 0.42 5.45 0.00 0.56 0.00 -1.26 -4.88 105.19 105.47 1nti n GLY 45 Ca 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1nti n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nti n MET 46 N 0.00 0.00 -3.34 1.61 0.00 -1.26 -4.10 117.12 110.02 1nti n MET 46 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.27 1nti n MET 46 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1nti n MET 46 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1nti s LEU 47 N -5.10 4.88 0.00 -0.89 2.96 -1.26 -4.91 118.68 114.36 1nti s LEU 47 Ca 0.00 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1nti s LEU 47 Cb 0.00 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1nti s LEU 47 CO 0.00 -0.55 0.00 -0.67 -1.32 0.00 0.00 176.35 173.81 1nti n ASP 48 N 5.53 0.00 0.00 3.68 2.03 -1.26 -5.06 116.55 121.47 1nti n ASP 48 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1nti n ASP 48 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1nti n ASP 48 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1nti n PHE 49 N -1.16 0.00 -0.24 -0.67 3.01 -1.26 -4.85 117.46 112.30 1nti n PHE 49 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1nti n PHE 49 Cb 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 39.48 39.78 1nti n PHE 49 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1nti n LYS 50 N -0.07 3.10 0.01 -1.08 4.76 -1.26 -4.30 118.16 119.32 1nti n LYS 50 Ca 0.00 -2.45 -0.02 0.00 -2.87 0.00 0.00 58.31 52.98 1nti n LYS 50 Cb 0.00 -1.72 -0.01 0.00 -1.84 0.00 0.00 35.03 31.47 1nti n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nti n GLY 51 N 1.20 -0.06 0.33 0.72 0.00 -1.26 -4.60 105.19 101.52 1nti n GLY 51 Ca 0.22 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.42 1nti n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nti h LYS 52 N -0.09 0.10 0.32 1.61 2.10 -1.89 0.92 116.57 119.64 1nti h LYS 52 Ca -0.03 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1nti h LYS 52 Cb 0.61 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1nti h LYS 52 CO -0.02 0.06 -0.17 0.00 -2.00 0.00 0.00 179.45 177.33 1nti h ALA 53 N 1.91 -1.09 -0.77 0.07 0.00 -1.85 0.14 119.26 117.68 1nti h ALA 53 Ca 0.67 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.66 1nti h ALA 53 Cb 1.51 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 1nti h ALA 53 CO -0.77 -1.06 0.10 0.87 0.00 0.00 0.00 179.25 178.38 1nti h LYS 54 N -0.44 0.16 0.61 0.00 1.57 -1.36 0.44 116.57 117.55 1nti h LYS 54 Ca -0.04 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1nti h LYS 54 Cb 0.34 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1nti h LYS 54 CO 0.06 0.11 -0.29 2.35 -0.57 0.00 0.00 179.45 181.11 1nti h TRP 55 N 0.17 -0.76 -0.73 -1.35 7.01 -0.77 -0.57 115.95 118.94 1nti h TRP 55 Ca 0.44 -0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.53 1nti h TRP 55 Cb 0.79 0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 28.02 1nti h TRP 55 CO -0.35 -0.47 0.35 -0.44 -2.79 0.00 0.00 178.44 174.74 1nti h ASP 56 N -0.92 0.42 -0.82 2.65 3.32 -0.41 0.36 116.42 121.01 1nti h ASP 56 Ca -0.08 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1nti h ASP 56 Cb 0.63 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 1nti h ASP 56 CO 0.14 0.22 0.54 0.00 -1.72 0.00 0.00 179.24 178.41 1nti h ALA 57 N 1.47 1.58 -0.01 3.45 0.00 -0.08 0.35 119.26 126.01 1nti h ALA 57 Ca 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1nti h ALA 57 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nti h ALA 57 CO -0.31 0.31 -0.25 2.35 0.00 0.00 0.00 179.25 181.35 1nti h TRP 58 N 0.93 0.27 -0.90 0.00 7.01 0.10 -3.16 115.95 120.21 1nti h TRP 58 Ca 0.35 -0.14 0.23 0.00 2.11 0.00 0.00 58.89 61.44 1nti h TRP 58 Cb 0.18 -0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 27.07 1nti h TRP 58 CO -0.00 0.93 0.36 -0.97 -2.79 0.00 0.00 178.44 175.97 1nti h ASN 59 N -0.47 0.24 -0.94 2.65 -1.24 0.35 0.58 115.58 116.75 1nti h ASN 59 Ca -0.03 0.17 0.27 0.00 0.71 0.00 0.00 56.30 57.43 1nti h ASN 59 Cb 0.99 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 40.18 1nti h ASN 59 CO 0.05 -0.06 0.83 -0.08 -1.29 0.00 0.00 177.43 176.87 1nti h GLU 60 N 0.33 0.00 -0.08 6.67 4.57 -0.29 0.46 114.58 126.24 1nti h GLU 60 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 1nti h GLU 60 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1nti h GLU 60 CO -0.57 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 178.54 1nti n LEU 61 N -3.82 1.94 -0.12 1.64 4.77 0.19 -4.89 117.00 116.71 1nti n LEU 61 Ca 0.20 -1.27 0.06 0.00 -0.03 0.00 0.00 56.01 54.97 1nti n LEU 61 Cb 1.14 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 42.30 1nti n LEU 61 CO 0.33 0.42 0.29 1.17 -1.33 0.00 0.00 177.39 178.27 1nti n LYS 62 N 0.39 -0.03 -0.10 3.23 4.81 0.16 0.49 118.16 127.12 1nti n LYS 62 Ca 0.06 0.52 0.04 0.00 -0.87 0.00 0.00 58.31 58.06 1nti n LYS 62 Cb 0.25 -0.84 0.09 0.00 0.02 0.00 0.00 35.03 34.55 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nti n GLY 63 N -1.17 1.98 3.62 3.14 0.00 -1.26 -2.70 105.19 108.80 1nti n GLY 63 Ca 0.09 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1nti n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nti n THR 64 N 0.30 1.15 -0.43 2.61 -1.04 0.18 -4.97 114.28 112.08 1nti n THR 64 Ca 0.08 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1nti n THR 64 Cb 0.34 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 1nti n THR 64 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1nti n SER 65 N -2.98 -0.20 -0.11 8.00 2.88 -1.26 -4.88 113.62 115.07 1nti n SER 65 Ca 0.12 -0.43 -0.21 0.00 -1.33 0.00 0.00 58.87 57.02 1nti n SER 65 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 1nti n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nti n LYS 66 N -0.63 0.65 0.11 -1.46 5.02 -1.26 -4.30 118.16 116.29 1nti n LYS 66 Ca 0.00 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.38 1nti n LYS 66 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nti h GLU 67 N -0.24 -0.51 -0.25 1.97 5.08 -1.93 0.33 114.58 119.03 1nti h GLU 67 Ca -0.56 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1nti h GLU 67 Cb 1.84 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 31.13 1nti h GLU 67 CO -0.13 -0.34 -0.30 -0.44 -1.00 0.00 0.00 179.01 176.80 1nti h ASP 68 N -0.53 -0.96 0.48 1.42 5.19 -1.97 0.23 116.42 120.28 1nti h ASP 68 Ca 0.03 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1nti h ASP 68 Cb 0.57 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1nti h ASP 68 CO -0.19 -0.32 -0.43 0.00 -3.12 0.00 0.00 179.24 175.18 1nti h ALA 69 N 0.64 -0.97 -0.43 3.45 0.00 -1.71 0.27 119.26 120.50 1nti h ALA 69 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nti h ALA 69 Cb 0.52 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1nti h ALA 69 CO -0.42 -1.08 -0.55 0.52 0.00 0.00 0.00 179.25 177.72 1nti h MET 70 N -0.91 -0.36 0.68 0.00 2.86 0.51 0.43 114.93 118.14 1nti h MET 70 Ca -0.05 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1nti h MET 70 Cb 0.79 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1nti h MET 70 CO -0.03 -0.24 -0.46 0.87 1.06 0.00 0.00 176.91 178.11 1nti h LYS 71 N -0.37 -1.04 -0.77 1.72 1.57 -0.44 0.33 116.57 117.56 1nti h LYS 71 Ca 0.08 0.07 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 1nti h LYS 71 Cb 0.57 0.24 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 1nti h LYS 71 CO -0.60 -0.69 0.27 0.00 -0.57 0.00 0.00 179.45 177.86 1nti h ALA 72 N -1.18 1.09 0.05 3.86 0.00 -0.21 -1.00 119.26 121.87 1nti h ALA 72 Ca -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 72 Cb 0.88 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nti h ALA 72 CO 0.06 -0.28 -0.03 -0.92 0.00 0.00 0.00 179.25 178.09 1nti h TYR 73 N 0.37 -0.07 -0.02 0.00 5.03 0.19 0.26 116.97 122.74 1nti h TYR 73 Ca 0.44 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.78 1nti h TYR 73 Cb 0.74 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.00 1nti h TYR 73 CO -0.20 0.05 -0.23 0.82 -1.32 0.00 0.00 178.16 177.29 1nti h ILE 74 N -0.18 0.46 -0.17 1.81 2.04 0.85 0.34 117.51 122.68 1nti h ILE 74 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1nti h ILE 74 Cb 0.15 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1nti h ILE 74 CO 0.01 0.00 0.09 0.44 0.00 0.00 0.00 178.15 178.69 1nti h ASP 75 N -0.35 0.14 -0.43 1.72 5.19 -1.13 0.46 116.42 122.02 1nti h ASP 75 Ca 0.07 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1nti h ASP 75 Cb 0.44 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1nti h ASP 75 CO -0.22 0.11 0.23 0.50 -3.12 0.00 0.00 179.24 176.74 1nti h LYS 76 N 0.19 0.46 -0.53 3.56 3.11 0.04 0.26 116.57 123.66 1nti h LYS 76 Ca 0.07 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.96 1nti h LYS 76 Cb 0.00 -0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 31.06 1nti h LYS 76 CO -0.04 0.30 0.16 0.28 -2.81 0.00 0.00 179.45 177.34 1nti h VAL 77 N 0.47 0.76 -0.68 2.00 2.07 0.33 0.40 116.25 121.60 1nti h VAL 77 Ca 0.18 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1nti h VAL 77 Cb 0.06 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 1nti h VAL 77 CO -0.11 0.06 0.26 -0.33 0.02 0.00 0.00 177.57 177.47 1nti h GLU 78 N 0.31 0.42 -0.15 1.57 4.39 0.10 0.22 114.58 121.44 1nti h GLU 78 Ca 0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1nti h GLU 78 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1nti h GLU 78 CO -0.30 0.28 0.10 0.93 -1.16 0.00 0.00 179.01 178.85 1nti h GLU 79 N 0.43 0.20 -0.03 2.33 5.08 0.30 -1.63 114.58 121.26 1nti h GLU 79 Ca 0.35 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1nti h GLU 79 Cb 0.48 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1nti h GLU 79 CO -0.35 0.15 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.41 1nti h LEU 80 N 0.20 -1.01 -1.12 1.33 3.38 0.17 0.30 115.31 118.57 1nti h LEU 80 Ca 0.06 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1nti h LEU 80 Cb -0.01 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1nti h LEU 80 CO -0.01 -0.39 0.61 0.50 0.09 0.00 0.00 178.44 179.24 1nti h LYS 81 N -0.47 0.91 -0.14 1.13 3.64 -0.52 0.28 116.57 121.41 1nti h LYS 81 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1nti h LYS 81 Cb 0.57 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1nti h LYS 81 CO -0.29 0.60 0.03 0.87 -2.27 0.00 0.00 179.45 178.39 1nti h LYS 82 N 0.94 0.22 0.34 1.90 1.57 -0.09 0.54 116.57 121.99 1nti h LYS 82 Ca 0.45 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1nti h LYS 82 Cb 0.45 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1nti h LYS 82 CO -0.21 0.37 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.39 1nti h LYS 83 N 0.02 -0.79 0.00 3.15 1.63 0.14 -3.29 116.57 117.44 1nti h LYS 83 Ca 0.04 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1nti h LYS 83 Cb 0.25 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1nti h LYS 83 CO 0.00 -0.52 -1.27 0.66 -3.45 0.00 0.00 179.45 174.87 1nti n TYR 84 N -5.50 0.85 0.00 1.91 4.01 0.81 -4.99 117.16 114.25 1nti n TYR 84 Ca -0.10 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1nti n TYR 84 Cb 0.41 -0.95 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1nti n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nti n GLY 85 N 1.26 2.11 0.00 2.72 0.00 0.19 -4.91 105.19 106.57 1nti n GLY 85 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83