#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nti n GLN 2 N 0.00 0.00 -0.26 1.43 7.27 -1.26 -4.92 117.38 119.64 1nti n GLN 2 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.18 1nti n GLN 2 Cb 0.00 0.00 0.21 0.00 2.41 0.00 0.00 30.24 32.86 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nti n ALA 3 N 0.00 0.36 -0.29 1.69 0.00 -1.26 0.69 120.51 121.70 1nti n ALA 3 Ca 0.00 0.80 0.25 0.00 0.00 0.00 0.00 53.44 54.49 1nti n ALA 3 Cb 0.00 -0.57 0.57 0.00 0.00 0.00 0.00 19.45 19.45 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 0.28 0.05 0.00 9.09 -1.98 0.26 114.58 122.28 1nti h GLU 4 Ca 0.44 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.83 1nti h GLU 4 Cb 0.90 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 1nti h GLU 4 CO -0.70 0.19 -0.02 0.35 0.05 0.00 0.00 179.01 178.87 1nti h PHE 5 N 0.29 -0.06 -0.51 2.06 3.57 -0.08 -0.72 116.94 121.49 1nti h PHE 5 Ca 0.55 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.13 1nti h PHE 5 Cb 1.59 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 40.25 1nti h PHE 5 CO -0.00 0.50 -0.39 -0.44 -2.23 0.00 0.00 178.31 175.76 1nti h ASP 6 N -0.94 -1.31 -0.41 0.41 5.19 -1.07 0.62 116.42 118.91 1nti h ASP 6 Ca -0.01 0.22 0.09 0.00 -0.62 0.00 0.00 57.03 56.71 1nti h ASP 6 Cb 0.59 0.61 -0.09 0.00 0.18 0.00 0.00 39.33 40.62 1nti h ASP 6 CO 0.01 -0.33 -0.19 0.50 -3.12 0.00 0.00 179.24 176.11 1nti h LYS 7 N -0.24 -0.10 -0.54 3.56 1.63 -0.60 0.33 116.57 120.61 1nti h LYS 7 Ca 0.18 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1nti h LYS 7 Cb 0.56 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1nti h LYS 7 CO -0.63 -0.07 0.33 0.00 -3.45 0.00 0.00 179.45 175.63 1nti h ALA 8 N 1.19 0.69 -0.31 5.00 0.00 0.16 0.14 119.26 126.13 1nti h ALA 8 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nti h ALA 8 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nti h ALA 8 CO -0.48 0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.02 1nti h ALA 9 N 1.22 0.39 -0.12 0.00 0.00 0.10 0.15 119.26 121.00 1nti h ALA 9 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1nti h ALA 9 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nti h ALA 9 CO -0.08 -0.11 -0.46 0.93 0.00 0.00 0.00 179.25 179.53 1nti h GLU 10 N 0.40 0.52 -0.27 0.00 4.39 -0.29 -1.65 114.58 117.68 1nti h GLU 10 Ca 0.11 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1nti h GLU 10 Cb 0.01 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1nti h GLU 10 CO -0.02 1.03 0.18 0.93 -1.16 0.00 0.00 179.01 179.96 1nti h GLU 11 N 0.13 0.36 -0.25 2.33 4.39 -0.60 -2.42 114.58 118.52 1nti h GLU 11 Ca -0.02 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1nti h GLU 11 Cb 1.09 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 1nti h GLU 11 CO 0.10 0.25 -0.24 -0.24 -1.16 0.00 0.00 179.01 177.71 1nti h VAL 12 N 0.36 0.39 0.00 3.13 3.04 -0.61 0.27 116.25 122.83 1nti h VAL 12 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1nti h VAL 12 Cb -0.03 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1nti h VAL 12 CO -0.02 0.00 0.23 0.29 -1.01 0.00 0.00 177.57 177.06 1nti n LYS 13 N -5.38 0.00 -0.79 4.17 4.76 -0.63 -0.96 118.16 119.33 1nti n LYS 13 Ca -0.01 0.21 0.03 0.00 -2.87 0.00 0.00 58.31 55.67 1nti n LYS 13 Cb 0.29 -1.73 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 1nti n LYS 13 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1nti n HIS 14 N -1.18 0.00 -1.27 2.13 8.25 0.87 -5.09 115.22 118.93 1nti n HIS 14 Ca 0.00 -0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 56.73 1nti n HIS 14 Cb 0.23 -0.11 0.11 0.00 1.12 0.00 0.00 29.99 31.34 1nti n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nti s LEU 15 N -0.57 3.22 0.19 2.41 1.43 -0.14 -4.91 118.68 120.31 1nti s LEU 15 Ca 0.18 2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1nti s LEU 15 Cb 0.19 -4.59 0.12 0.00 0.03 0.00 0.00 46.19 41.94 1nti s LEU 15 CO -0.06 -2.47 1.52 0.50 0.23 0.00 0.00 176.35 176.08 1nti h LYS 16 N -0.62 0.62 -5.05 1.70 3.64 -1.53 -3.47 116.57 111.86 1nti h LYS 16 Ca -0.47 -0.36 -0.61 0.00 -1.27 0.00 0.00 60.65 57.94 1nti h LYS 16 Cb 1.30 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 33.01 1nti h LYS 16 CO 0.48 0.97 -0.50 0.99 -2.27 0.00 0.00 179.45 179.12 1nti s THR 17 N -4.13 0.65 -0.22 1.00 2.01 -1.26 -5.07 115.64 108.62 1nti s THR 17 Ca -0.08 -2.00 -0.12 0.00 0.31 0.00 0.00 61.69 59.80 1nti s THR 17 Cb 0.12 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1nti s THR 17 CO 0.84 0.00 0.22 -0.75 -0.69 0.00 0.00 174.62 174.24 1nti s LYS 18 N -3.72 4.13 0.95 4.92 2.20 -1.26 -5.05 119.74 121.91 1nti s LYS 18 Ca 0.16 -0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.51 1nti s LYS 18 Cb 0.01 -3.51 0.16 0.00 -1.51 0.00 0.00 37.83 32.98 1nti s LYS 18 CO 0.11 0.10 1.17 -1.25 -0.36 0.00 0.00 175.35 175.11 1nti s PRO 19 N 0.94 0.84 0.59 4.03 0.04 -1.26 -4.97 135.00 135.21 1nti s PRO 19 Ca 0.11 0.12 -0.20 0.00 0.04 0.00 0.00 61.00 61.07 1nti s PRO 19 Cb -0.13 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1nti s PRO 19 CO 0.04 -2.37 1.25 0.00 0.04 0.00 0.00 177.00 175.96 1nti n ALA 20 N -3.85 1.10 -0.30 8.56 0.00 -1.26 -4.63 120.51 120.13 1nti n ALA 20 Ca 0.09 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1nti n ALA 20 Cb 0.59 -2.29 0.29 0.00 0.00 0.00 0.00 19.45 18.05 1nti n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nti h ASP 21 N 0.90 0.35 -0.78 0.00 5.19 -1.99 0.86 116.42 120.95 1nti h ASP 21 Ca -0.50 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.10 1nti h ASP 21 Cb 1.33 0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.91 1nti h ASP 21 CO 0.54 0.04 0.51 -0.33 -3.12 0.00 0.00 179.24 176.88 1nti h GLU 22 N 0.43 0.88 0.51 3.56 3.07 -1.98 0.29 114.58 121.34 1nti h GLU 22 Ca 0.54 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.32 1nti h GLU 22 Cb 0.98 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1nti h GLU 22 CO -0.50 0.58 -0.24 0.93 -1.40 0.00 0.00 179.01 178.38 1nti h GLU 23 N 0.91 -0.66 -0.83 2.33 4.39 0.40 0.29 114.58 121.40 1nti h GLU 23 Ca 0.32 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.11 1nti h GLU 23 Cb 0.12 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1nti h GLU 23 CO -0.10 -0.36 0.53 0.00 -1.16 0.00 0.00 179.01 177.91 1nti h MET 24 N -0.89 0.97 -0.70 2.33 -0.00 -0.95 0.17 114.93 115.87 1nti h MET 24 Ca -0.07 -0.06 0.02 0.00 -0.00 0.00 0.00 59.70 59.60 1nti h MET 24 Cb 0.60 -0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 31.94 1nti h MET 24 CO 0.11 0.64 0.44 -0.07 -0.00 0.00 0.00 176.91 178.04 1nti h LEU 25 N 1.00 0.73 0.21 -0.10 3.38 -0.19 0.40 115.31 120.75 1nti h LEU 25 Ca 0.35 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1nti h LEU 25 Cb 0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1nti h LEU 25 CO -0.14 0.51 -0.47 0.15 0.09 0.00 0.00 178.44 178.59 1nti h PHE 26 N 0.87 -1.32 0.00 1.13 3.04 0.13 0.92 116.94 121.71 1nti h PHE 26 Ca 0.27 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1nti h PHE 26 Cb -0.01 0.55 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1nti h PHE 26 CO -0.04 -0.58 0.00 -0.89 -2.02 0.00 0.00 178.31 174.79 1nti n ILE 27 N -5.49 0.00 -0.10 1.41 -0.00 -0.13 -0.59 119.36 114.46 1nti n ILE 27 Ca -0.09 1.19 -0.02 0.00 -0.00 0.00 0.00 62.75 63.82 1nti n ILE 27 Cb 0.41 -1.91 -0.02 0.00 -0.00 0.00 0.00 39.64 38.12 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 -1.44 -0.10 0.32 1.39 4.19 0.13 0.22 117.16 121.88 1nti n TYR 28 Ca 0.00 0.31 -0.15 0.00 3.31 0.00 0.00 57.90 61.37 1nti n TYR 28 Cb 0.00 -0.53 -0.08 0.00 0.49 0.00 0.00 39.34 39.23 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1nti h SER 29 N 0.00 -0.71 -0.12 2.98 4.64 -0.57 -0.65 113.55 119.11 1nti h SER 29 Ca 0.04 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1nti h SER 29 Cb 0.11 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1nti h SER 29 CO -0.23 -0.37 0.08 0.45 -0.87 0.00 0.00 176.83 175.89 1nti h HIS 30 N -1.09 0.08 -0.06 4.77 3.86 0.59 -0.09 115.15 123.22 1nti h HIS 30 Ca -0.09 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1nti h HIS 30 Cb 0.69 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1nti h HIS 30 CO 0.00 0.05 -0.14 -0.92 0.86 0.00 0.00 177.93 177.78 1nti h TYR 31 N 0.09 0.26 0.24 2.45 5.03 -0.15 0.12 116.97 125.00 1nti h TYR 31 Ca 0.05 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 1nti h TYR 31 Cb 0.10 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1nti h TYR 31 CO -0.00 0.75 -0.17 0.87 -1.32 0.00 0.00 178.16 178.29 1nti h LYS 32 N -0.30 -0.39 -0.59 1.82 1.79 -0.07 0.50 116.57 119.31 1nti h LYS 32 Ca -0.00 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1nti h LYS 32 Cb 0.74 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1nti h LYS 32 CO 0.03 -0.26 0.35 0.37 -1.08 0.00 0.00 179.45 178.86 1nti h GLN 33 N -0.41 0.67 -0.91 3.15 -0.00 -1.05 0.49 115.11 117.05 1nti h GLN 33 Ca -0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1nti h GLN 33 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 27.48 27.63 1nti h GLN 33 CO 0.00 0.44 0.60 0.00 0.00 0.00 0.00 178.83 179.87 1nti h ALA 34 N 1.27 1.18 0.00 3.38 0.00 -0.27 -3.02 119.26 121.80 1nti h ALA 34 Ca 0.24 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1nti h ALA 34 Cb 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1nti h ALA 34 CO -0.12 0.51 -1.90 0.25 0.00 0.00 0.00 179.25 178.00 1nti n THR 35 N -4.47 0.90 -0.08 0.00 -2.24 0.12 -4.73 114.28 103.78 1nti n THR 35 Ca 0.11 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.18 1nti n THR 35 Cb 0.04 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.34 1nti n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nti n VAL 36 N -2.66 1.60 0.00 2.28 0.31 0.13 -5.07 118.33 114.92 1nti n VAL 36 Ca -0.24 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1nti n VAL 36 Cb 0.88 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1nti n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nti n GLY 37 N 1.64 0.13 3.60 2.92 0.00 0.95 -4.98 105.19 109.45 1nti n GLY 37 Ca -0.37 -1.95 -0.49 0.00 0.00 0.00 0.00 46.02 43.21 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 2.94 -4.48 1.61 8.00 -1.25 -3.70 116.55 119.67 1nti n ASP 38 Ca 0.00 0.71 -0.48 0.00 0.71 0.00 0.00 54.79 55.72 1nti n ASP 38 Cb 0.00 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 39.72 1nti n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nti n ILE 39 N 6.09 1.62 0.00 0.53 3.06 -1.26 -4.87 119.36 124.53 1nti n ILE 39 Ca 0.30 -0.41 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 1nti n ILE 39 Cb 0.28 -0.35 0.00 0.00 0.54 0.00 0.00 39.64 40.11 1nti n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1nti n ASN 40 N 1.76 0.00 0.15 9.51 6.94 -1.26 -4.99 115.26 127.37 1nti n ASN 40 Ca 0.16 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1nti n ASN 40 Cb 0.25 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1nti n ASN 40 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nti n THR 41 N -0.48 0.00 0.00 5.53 -2.24 -1.26 -5.04 114.28 110.79 1nti n THR 41 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1nti n THR 41 Cb 0.00 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1nti n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nti n GLU 42 N -3.39 -0.39 -1.91 -0.78 1.02 -1.26 -4.87 120.64 109.07 1nti n GLU 42 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1nti n GLU 42 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nti s ARG 43 N 0.00 3.66 0.00 3.49 3.52 -1.26 -4.80 118.95 123.56 1nti s ARG 43 Ca 0.00 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 1nti s ARG 43 Cb 0.00 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 1nti s ARG 43 CO 0.00 -1.47 0.00 -2.30 -0.81 0.00 0.00 175.30 170.72 1nti n PRO 44 N 7.96 0.00 0.00 5.12 -0.02 -1.26 -4.75 135.00 142.05 1nti n PRO 44 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1nti n PRO 44 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nti n GLY 45 N -0.40 1.46 0.00 -1.23 0.00 -1.26 -4.59 105.19 99.17 1nti n GLY 45 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1nti n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nti n MET 46 N 0.00 0.00 0.00 1.61 2.81 -1.26 -5.04 117.12 115.23 1nti n MET 46 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1nti n MET 46 Cb 0.00 -0.21 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 1nti n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nti n LEU 47 N -0.45 0.00 0.00 4.03 4.77 -1.26 -5.09 117.00 118.99 1nti n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nti n LEU 47 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nti n LEU 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 1nti n ASP 48 N 0.00 0.00 0.00 -1.43 8.00 -1.26 -4.80 116.55 117.06 1nti n ASP 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nti n ASP 48 Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1nti n ASP 48 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nti n PHE 49 N -2.45 0.00 -2.61 1.24 3.72 -1.26 -0.65 117.46 115.45 1nti n PHE 49 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1nti n PHE 49 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1nti n PHE 49 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1nti s LYS 50 N 0.00 3.95 0.00 -1.08 2.20 -1.26 -3.50 119.74 120.05 1nti s LYS 50 Ca 0.00 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 1nti s LYS 50 Cb 0.00 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1nti s LYS 50 CO 0.00 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.34 1nti n GLY 51 N 4.20 3.36 0.19 5.54 0.00 -1.22 -4.95 105.19 112.31 1nti n GLY 51 Ca 0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -0.06 0.51 1.61 5.09 -0.92 0.26 116.57 123.06 1nti h LYS 52 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.73 1nti h LYS 52 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.33 1nti h LYS 52 CO 0.00 -0.04 -0.41 0.00 -2.09 0.00 0.00 179.45 176.91 1nti h ALA 53 N 1.24 -1.13 -0.85 0.07 0.00 -1.82 0.21 119.26 116.97 1nti h ALA 53 Ca 0.17 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 53 Cb 0.32 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 1nti h ALA 53 CO -0.39 -1.13 -0.35 0.87 0.00 0.00 0.00 179.25 178.25 1nti h LYS 54 N -0.89 -0.05 0.46 0.00 1.79 -1.85 0.31 116.57 116.34 1nti h LYS 54 Ca -0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1nti h LYS 54 Cb 0.75 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1nti h LYS 54 CO 0.00 -0.03 -0.22 2.35 -1.08 0.00 0.00 179.45 180.47 1nti h TRP 55 N -0.05 -0.58 -0.61 -1.35 7.01 -0.26 -0.10 115.95 120.01 1nti h TRP 55 Ca 0.32 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.43 1nti h TRP 55 Cb 0.59 0.19 -0.11 0.00 -2.10 0.00 0.00 29.16 27.73 1nti h TRP 55 CO -0.77 -0.36 -0.10 -0.44 -2.79 0.00 0.00 178.44 173.98 1nti h ASP 56 N -0.68 -0.47 -0.74 2.65 3.32 -0.28 0.78 116.42 121.01 1nti h ASP 56 Ca -0.06 0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1nti h ASP 56 Cb 0.48 0.34 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 1nti h ASP 56 CO 0.10 -0.17 0.49 0.00 -1.72 0.00 0.00 179.24 177.94 1nti h ALA 57 N 1.59 1.76 0.00 3.45 0.00 -0.35 0.94 119.26 126.66 1nti h ALA 57 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nti h ALA 57 Cb 0.48 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nti h ALA 57 CO -0.59 0.10 -0.17 2.35 0.00 0.00 0.00 179.25 180.93 1nti h TRP 58 N 0.71 0.00 -0.82 0.00 7.01 0.18 -3.33 115.95 119.70 1nti h TRP 58 Ca 0.33 0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.52 1nti h TRP 58 Cb 0.37 0.00 -0.16 0.00 -2.10 0.00 0.00 29.16 27.28 1nti h TRP 58 CO -0.00 0.28 -0.13 -1.71 -2.79 0.00 0.00 178.44 174.09 1nti n ASN 59 N -4.70 -0.23 -0.47 2.65 5.15 0.22 0.54 115.26 118.42 1nti n ASN 59 Ca -0.05 1.41 0.42 0.00 -0.60 0.00 0.00 54.58 55.75 1nti n ASN 59 Cb 0.18 -0.46 0.66 0.00 -0.53 0.00 0.00 39.78 39.63 1nti n ASN 59 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1nti h GLU 60 N 0.00 0.00 -0.09 1.20 4.81 -0.92 0.33 114.58 119.90 1nti h GLU 60 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1nti h GLU 60 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1nti h GLU 60 CO -0.82 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 178.74 1nti n LEU 61 N -3.65 3.02 -0.09 1.64 4.77 0.19 -4.88 117.00 118.00 1nti n LEU 61 Ca 0.34 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 55.30 1nti n LEU 61 Cb 1.76 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 42.93 1nti n LEU 61 CO 0.35 0.54 0.26 1.17 -1.33 0.00 0.00 177.39 178.38 1nti n LYS 62 N 1.33 -0.02 -0.15 3.23 4.81 0.12 -0.48 118.16 127.00 1nti n LYS 62 Ca 0.14 0.40 0.09 0.00 -0.87 0.00 0.00 58.31 58.08 1nti n LYS 62 Cb 0.58 -0.68 0.16 0.00 0.02 0.00 0.00 35.03 35.11 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 -1.10 4.84 3.27 3.14 0.00 -1.26 -3.83 105.19 110.25 1nti n GLY 63 Ca 0.09 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.34 0.00 -3.44 2.61 -1.04 0.37 -4.95 114.28 106.49 1nti n THR 64 Ca 0.17 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.48 1nti n THR 64 Cb 0.67 -0.65 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 1nti n THR 64 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nti s SER 65 N -1.94 6.16 0.34 8.00 0.01 -1.26 -4.95 113.70 120.05 1nti s SER 65 Ca 0.56 -0.13 0.13 0.00 1.31 0.00 0.00 55.95 57.82 1nti s SER 65 Cb -0.13 -2.18 0.99 0.00 0.21 0.00 0.00 66.02 64.91 1nti s SER 65 CO 0.64 -0.26 1.71 0.11 0.41 0.00 0.00 173.24 175.85 1nti h LYS 66 N 8.40 0.46 -0.40 12.44 1.57 -1.91 -0.39 116.57 136.73 1nti h LYS 66 Ca -0.31 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1nti h LYS 66 Cb 1.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1nti h LYS 66 CO 0.66 0.30 0.12 0.93 -0.57 0.00 0.00 179.45 180.89 1nti h GLU 67 N 0.47 0.63 -0.42 3.15 5.08 -1.93 0.21 114.58 121.78 1nti h GLU 67 Ca 0.68 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.96 1nti h GLU 67 Cb 1.43 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 1nti h GLU 67 CO -0.50 0.64 0.09 -0.44 -1.00 0.00 0.00 179.01 177.79 1nti h ASP 68 N 0.51 0.01 0.62 1.42 5.19 -1.49 0.42 116.42 123.10 1nti h ASP 68 Ca 0.13 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1nti h ASP 68 Cb 0.27 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1nti h ASP 68 CO -0.00 0.04 -0.35 0.00 -3.12 0.00 0.00 179.24 175.81 1nti h ALA 69 N 1.32 -1.20 -0.34 3.45 0.00 -1.25 0.27 119.26 121.51 1nti h ALA 69 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 69 Cb 0.25 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1nti h ALA 69 CO -0.26 -1.15 -0.38 0.52 0.00 0.00 0.00 179.25 177.97 1nti h MET 70 N -0.89 -0.22 -0.25 0.00 2.86 -0.01 0.45 114.93 116.87 1nti h MET 70 Ca -0.08 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1nti h MET 70 Cb 0.70 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 1nti h MET 70 CO 0.11 -0.14 -0.30 0.87 1.06 0.00 0.00 176.91 178.50 1nti h LYS 71 N -0.22 -0.19 -0.88 1.72 1.57 -0.10 0.31 116.57 118.77 1nti h LYS 71 Ca 0.06 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1nti h LYS 71 Cb 0.38 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1nti h LYS 71 CO -0.44 -0.13 0.51 0.00 -0.57 0.00 0.00 179.45 178.82 1nti h ALA 72 N -0.58 1.31 0.11 3.86 0.00 -0.19 -0.44 119.26 123.33 1nti h ALA 72 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nti h ALA 72 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nti h ALA 72 CO -0.34 0.06 -0.05 -0.92 0.00 0.00 0.00 179.25 178.00 1nti h TYR 73 N 0.79 -0.14 0.30 0.00 5.03 0.93 0.28 116.97 124.15 1nti h TYR 73 Ca 0.45 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.76 1nti h TYR 73 Cb 0.51 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1nti h TYR 73 CO -0.05 0.03 -0.25 0.82 -1.32 0.00 0.00 178.16 177.39 1nti h ILE 74 N -0.29 0.47 -0.94 1.81 2.04 0.15 0.27 117.51 121.02 1nti h ILE 74 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1nti h ILE 74 Cb 0.23 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1nti h ILE 74 CO 0.03 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.24 1nti h ASP 75 N -0.56 1.06 0.03 1.72 5.19 -1.06 0.10 116.42 122.90 1nti h ASP 75 Ca -0.02 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1nti h ASP 75 Cb 0.50 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1nti h ASP 75 CO -0.02 0.76 -0.20 0.50 -3.12 0.00 0.00 179.24 177.15 1nti h LYS 76 N 1.25 -0.32 -0.60 3.56 1.63 0.40 0.27 116.57 122.76 1nti h LYS 76 Ca 0.36 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.22 1nti h LYS 76 Cb -0.09 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 1nti h LYS 76 CO -0.09 -0.21 0.34 0.28 -3.45 0.00 0.00 179.45 176.32 1nti h VAL 77 N -0.33 1.00 -0.65 2.00 2.07 0.50 0.63 116.25 121.47 1nti h VAL 77 Ca 0.05 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1nti h VAL 77 Cb 0.39 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1nti h VAL 77 CO -0.16 0.12 0.23 -0.33 0.02 0.00 0.00 177.57 177.44 1nti h GLU 78 N 0.65 0.38 -0.13 1.57 4.39 0.14 0.85 114.58 122.43 1nti h GLU 78 Ca 0.26 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.98 1nti h GLU 78 Cb 0.12 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1nti h GLU 78 CO -0.15 0.25 -0.30 0.93 -1.16 0.00 0.00 179.01 178.58 1nti h GLU 79 N 0.39 -0.36 0.00 2.33 5.08 0.16 0.41 114.58 122.60 1nti h GLU 79 Ca 0.34 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1nti h GLU 79 Cb 0.47 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nti h GLU 79 CO -0.35 -0.24 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.24 1nti h LEU 80 N -0.37 0.00 -0.19 1.33 3.38 0.22 0.22 115.31 119.90 1nti h LEU 80 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1nti h LEU 80 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1nti h LEU 80 CO -0.34 0.10 -0.04 0.50 0.09 0.00 0.00 178.44 178.75 1nti h LYS 81 N 0.00 0.36 0.32 1.13 3.64 0.28 0.39 116.57 122.68 1nti h LYS 81 Ca -0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1nti h LYS 81 Cb 0.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1nti h LYS 81 CO 0.01 0.61 -0.15 0.87 -2.27 0.00 0.00 179.45 178.52 1nti h LYS 82 N 0.07 -0.41 -0.73 1.90 1.79 -0.59 0.41 116.57 119.01 1nti h LYS 82 Ca 0.05 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1nti h LYS 82 Cb 0.48 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 1nti h LYS 82 CO 0.02 -0.08 0.48 -0.22 -1.08 0.00 0.00 179.45 178.57 1nti h LYS 83 N -0.89 0.95 0.00 3.15 3.64 -0.61 -3.38 116.57 119.43 1nti h LYS 83 Ca -0.04 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.07 1nti h LYS 83 Cb 0.52 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1nti h LYS 83 CO 0.07 0.63 -1.78 0.66 -2.27 0.00 0.00 179.45 176.76 1nti n TYR 84 N -4.58 0.00 -1.05 1.91 4.01 0.12 -5.05 117.16 112.52 1nti n TYR 84 Ca 0.07 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.95 1nti n TYR 84 Cb 0.02 -0.52 -0.04 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 2.76 -2.09 0.00 2.72 0.00 0.14 -4.61 105.19 104.11 1nti n GLY 85 Ca -0.25 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83