#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 -0.30 -1.46 -0.06 -1.26 -4.86 117.38 109.45 1nti n GLN 2 Ca 0.00 0.00 0.16 0.00 -2.00 0.00 0.00 57.00 55.16 1nti n GLN 2 Cb 0.00 -0.40 0.30 0.00 -4.06 0.00 0.00 30.24 26.08 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti n ALA 3 N -2.78 0.52 0.26 1.69 0.00 -1.26 0.20 120.51 119.15 1nti n ALA 3 Ca 0.00 0.92 0.09 0.00 0.00 0.00 0.00 53.44 54.45 1nti n ALA 3 Cb 0.35 -0.72 0.65 0.00 0.00 0.00 0.00 19.45 19.73 1nti n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nti h GLU 4 N 0.00 0.00 0.04 0.00 3.07 -1.97 0.32 114.58 116.03 1nti h GLU 4 Ca 0.56 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1nti h GLU 4 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1nti h GLU 4 CO -0.79 0.05 -0.02 0.35 -1.40 0.00 0.00 179.01 177.20 1nti h PHE 5 N 0.00 -0.05 -0.28 4.33 3.57 -0.59 0.13 116.94 124.05 1nti h PHE 5 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1nti h PHE 5 Cb 0.10 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1nti h PHE 5 CO 0.00 0.61 0.06 -0.44 -2.23 0.00 0.00 178.31 176.31 1nti h ASP 6 N -0.90 0.03 -0.73 0.41 3.32 -1.33 0.28 116.42 117.51 1nti h ASP 6 Ca -0.01 0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.25 1nti h ASP 6 Cb 0.68 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.16 1nti h ASP 6 CO 0.01 0.05 0.03 0.50 -1.72 0.00 0.00 179.24 178.10 1nti h LYS 7 N 0.17 0.12 0.09 3.56 3.64 -0.36 0.42 116.57 124.21 1nti h LYS 7 Ca 0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nti h LYS 7 Cb 0.13 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1nti h LYS 7 CO -0.16 0.08 -0.05 0.00 -2.27 0.00 0.00 179.45 177.05 1nti h ALA 8 N 1.67 -0.13 -0.97 5.00 0.00 0.22 0.27 119.26 125.32 1nti h ALA 8 Ca 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1nti h ALA 8 Cb 0.69 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1nti h ALA 8 CO -0.62 -0.49 0.63 0.00 0.00 0.00 0.00 179.25 178.77 1nti h ALA 9 N 0.60 1.29 -0.09 0.00 0.00 0.56 0.19 119.26 121.80 1nti h ALA 9 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nti h ALA 9 Cb 0.24 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nti h ALA 9 CO 0.02 0.65 -0.28 1.49 0.00 0.00 0.00 179.25 181.13 1nti h GLU 10 N 1.32 0.36 -0.05 0.00 4.81 -0.20 -1.95 114.58 118.87 1nti h GLU 10 Ca 0.35 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1nti h GLU 10 Cb -0.14 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1nti h GLU 10 CO -0.07 0.88 0.03 0.93 -0.73 0.00 0.00 179.01 180.04 1nti h GLU 11 N -0.10 0.06 -0.29 1.92 4.39 -0.06 -1.91 114.58 118.59 1nti h GLU 11 Ca -0.01 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1nti h GLU 11 Cb 0.91 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 1nti h GLU 11 CO 0.06 0.04 -0.11 -0.24 -1.16 0.00 0.00 179.01 177.60 1nti h VAL 12 N 0.06 0.63 0.00 3.13 3.04 -0.64 0.39 116.25 122.86 1nti h VAL 12 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1nti h VAL 12 Cb 0.00 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 29.91 1nti h VAL 12 CO -0.01 0.00 0.18 0.29 -1.01 0.00 0.00 177.57 177.02 1nti n LYS 13 N -5.28 0.05 -0.09 4.17 5.02 -0.74 -1.17 118.16 120.11 1nti n LYS 13 Ca -0.00 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.80 1nti n LYS 13 Cb 0.20 -1.85 0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1nti n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nti n HIS 14 N -1.71 0.00 -1.44 2.13 8.25 0.12 -5.08 115.22 117.49 1nti n HIS 14 Ca -0.00 -0.61 -0.34 0.00 -0.26 0.00 0.00 57.72 56.50 1nti n HIS 14 Cb 0.20 -0.09 0.09 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.60 3.31 0.32 2.41 1.43 -0.32 -4.90 118.68 119.33 1nti s LEU 15 Ca 0.14 2.33 0.26 0.00 -1.03 0.00 0.00 54.13 55.83 1nti s LEU 15 Cb 0.12 -4.59 0.86 0.00 0.03 0.00 0.00 46.19 42.61 1nti s LEU 15 CO 0.01 -2.23 1.76 0.50 0.23 0.00 0.00 176.35 176.62 1nti h LYS 16 N -0.30 0.00 -4.66 1.70 3.64 -1.53 -3.45 116.57 111.96 1nti h LYS 16 Ca -0.47 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.66 1nti h LYS 16 Cb 1.29 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 1nti h LYS 16 CO 0.50 0.00 -0.67 0.99 -2.27 0.00 0.00 179.45 178.00 1nti s THR 17 N -3.27 0.55 -0.21 1.00 2.01 -1.26 -5.08 115.64 109.38 1nti s THR 17 Ca 0.07 -1.95 -0.10 0.00 0.31 0.00 0.00 61.69 60.02 1nti s THR 17 Cb 0.10 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1nti s THR 17 CO 0.54 -0.61 0.15 -1.59 -0.69 0.00 0.00 174.62 172.43 1nti s LYS 18 N -3.92 4.15 0.80 4.92 0.00 -1.26 -5.05 119.74 119.38 1nti s LYS 18 Ca 0.20 -0.21 -0.10 0.00 0.00 0.00 0.00 55.97 55.85 1nti s LYS 18 Cb 0.06 -3.46 0.10 0.00 0.00 0.00 0.00 37.83 34.52 1nti s LYS 18 CO 0.00 0.21 1.14 -1.25 0.00 0.00 0.00 175.35 175.45 1nti s PRO 19 N 0.63 1.79 0.78 1.78 0.04 -1.26 -5.02 135.00 133.74 1nti s PRO 19 Ca 0.08 -0.17 -0.14 0.00 0.04 0.00 0.00 61.00 60.81 1nti s PRO 19 Cb -0.12 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1nti s PRO 19 CO 0.01 -1.62 1.15 0.00 0.04 0.00 0.00 177.00 176.58 1nti n ALA 20 N -3.24 -0.02 -0.22 8.56 0.00 -1.26 -4.61 120.51 119.72 1nti n ALA 20 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1nti n ALA 20 Cb 0.61 -2.22 0.04 0.00 0.00 0.00 0.00 19.45 17.87 1nti n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nti h ASP 21 N -0.68 -0.91 -0.81 0.00 1.82 -1.98 0.76 116.42 114.62 1nti h ASP 21 Ca -0.47 0.22 0.19 0.00 -0.39 0.00 0.00 57.03 56.58 1nti h ASP 21 Cb 1.31 0.50 -0.12 0.00 0.68 0.00 0.00 39.33 41.70 1nti h ASP 21 CO 0.46 -0.27 0.22 -0.33 -1.61 0.00 0.00 179.24 177.72 1nti h GLU 22 N -0.09 0.26 0.01 0.28 3.07 -1.98 0.45 114.58 116.59 1nti h GLU 22 Ca 0.28 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1nti h GLU 22 Cb 0.53 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1nti h GLU 22 CO -0.69 0.17 -0.01 0.93 -1.40 0.00 0.00 179.01 178.01 1nti h GLU 23 N 0.27 -0.02 -1.00 2.33 4.39 0.11 0.33 114.58 121.00 1nti h GLU 23 Ca 0.48 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.36 1nti h GLU 23 Cb 0.88 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.44 1nti h GLU 23 CO -0.57 0.20 0.62 0.52 -1.16 0.00 0.00 179.01 178.62 1nti h MET 24 N -0.23 0.75 0.05 2.33 2.86 0.80 0.22 114.93 121.71 1nti h MET 24 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1nti h MET 24 Cb 0.22 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1nti h MET 24 CO 0.00 0.50 -0.02 -0.07 1.06 0.00 0.00 176.91 178.38 1nti h LEU 25 N 0.77 -0.06 -0.34 1.22 3.38 0.45 0.44 115.31 121.18 1nti h LEU 25 Ca 0.56 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1nti h LEU 25 Cb 0.86 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1nti h LEU 25 CO -0.35 0.42 -0.04 0.15 0.09 0.00 0.00 178.44 178.71 1nti h PHE 26 N -0.55 -0.10 0.00 1.13 3.04 0.90 0.62 116.94 121.98 1nti h PHE 26 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1nti h PHE 26 Cb 0.49 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1nti h PHE 26 CO 0.09 -0.11 0.00 -0.89 -2.02 0.00 0.00 178.31 175.38 1nti n ILE 27 N -5.23 0.00 -0.05 1.41 2.08 0.65 -0.31 119.36 117.92 1nti n ILE 27 Ca 0.01 0.97 -0.01 0.00 0.56 0.00 0.00 62.75 64.28 1nti n ILE 27 Cb 0.19 -1.94 -0.00 0.00 -0.75 0.00 0.00 39.64 37.13 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nti n TYR 28 N -0.49 -0.03 0.18 1.39 9.36 0.16 -0.03 117.16 127.70 1nti n TYR 28 Ca 0.00 0.15 -0.07 0.00 3.32 0.00 0.00 57.90 61.30 1nti n TYR 28 Cb 0.00 -0.53 -0.03 0.00 -0.63 0.00 0.00 39.34 38.15 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 -0.40 -0.65 2.98 4.64 -0.81 -0.75 113.55 118.56 1nti h SER 29 Ca 0.03 0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.55 1nti h SER 29 Cb 0.06 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1nti h SER 29 CO -0.12 -0.25 0.47 0.45 -0.87 0.00 0.00 176.83 176.51 1nti h HIS 30 N -0.54 0.00 -0.12 4.77 3.86 0.95 0.12 115.15 124.19 1nti h HIS 30 Ca -0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1nti h HIS 30 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1nti h HIS 30 CO 0.11 0.00 -0.17 -0.92 0.86 0.00 0.00 177.93 177.81 1nti h TYR 31 N 0.00 0.41 -0.42 2.45 3.20 -0.36 0.11 116.97 122.36 1nti h TYR 31 Ca 0.31 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1nti h TYR 31 Cb 1.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 1nti h TYR 31 CO 0.00 0.78 -0.04 0.87 -1.64 0.00 0.00 178.16 178.13 1nti h LYS 32 N -0.08 0.76 -0.40 1.82 1.79 0.69 0.28 116.57 121.43 1nti h LYS 32 Ca 0.01 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 1nti h LYS 32 Cb 0.73 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1nti h LYS 32 CO 0.04 0.86 -0.03 0.37 -1.08 0.00 0.00 179.45 179.61 1nti h GLN 33 N 0.59 0.73 -0.61 3.15 5.75 -1.05 0.52 115.11 124.20 1nti h GLN 33 Ca 0.11 -0.25 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1nti h GLN 33 Cb 0.54 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1nti h GLN 33 CO 0.03 0.83 0.40 0.00 -2.65 0.00 0.00 178.83 177.44 1nti h ALA 34 N 0.88 1.78 0.00 3.38 0.00 -0.58 -3.22 119.26 121.50 1nti h ALA 34 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1nti h ALA 34 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nti h ALA 34 CO 0.03 0.13 -1.25 0.25 0.00 0.00 0.00 179.25 178.41 1nti n THR 35 N -4.47 0.25 -0.12 0.00 -2.24 0.07 -4.74 114.28 103.02 1nti n THR 35 Ca 0.08 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1nti n THR 35 Cb 0.22 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.14 1.55 0.00 2.28 0.31 0.16 -5.07 118.33 115.42 1nti n VAL 36 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1nti n VAL 36 Cb 0.62 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 1.62 0.34 3.77 2.92 0.00 0.26 -5.00 105.19 109.10 1nti n GLY 37 Ca -0.47 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.14 1nti n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nti s ASP 38 N -4.00 6.16 -0.62 1.61 1.01 -1.26 -3.59 116.67 115.98 1nti s ASP 38 Ca 0.00 2.22 -0.27 0.00 0.71 0.00 0.00 52.55 55.21 1nti s ASP 38 Cb 0.00 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1nti s ASP 38 CO 0.00 -0.92 2.47 0.00 0.21 0.00 0.00 175.17 176.93 1nti n ILE 39 N -0.65 -0.06 -1.33 0.77 3.06 -1.26 -4.69 119.36 115.20 1nti n ILE 39 Ca 0.08 -0.62 -0.18 0.00 -2.50 0.00 0.00 62.75 59.53 1nti n ILE 39 Cb 0.49 -2.24 0.18 0.00 0.54 0.00 0.00 39.64 38.61 1nti n ILE 39 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nti n ASN 40 N 14.95 3.53 -4.65 9.51 3.02 -1.26 -4.93 115.26 135.43 1nti n ASN 40 Ca 0.44 -3.69 -0.31 0.00 -0.03 0.00 0.00 54.58 50.99 1nti n ASN 40 Cb 0.43 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1nti n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1nti n THR 41 N -1.12 0.00 -3.21 3.41 -2.24 -1.26 -5.12 114.28 104.74 1nti n THR 41 Ca 0.51 -2.33 -0.40 0.00 -2.27 0.00 0.00 64.05 59.56 1nti n THR 41 Cb 1.40 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 69.96 1nti n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nti s GLU 42 N -3.85 4.08 0.41 -0.78 8.01 -1.26 -5.06 118.70 120.24 1nti s GLU 42 Ca 0.04 0.37 -0.24 0.00 0.01 0.00 0.00 54.97 55.15 1nti s GLU 42 Cb -0.00 -3.65 -0.08 0.00 -4.31 0.00 0.00 34.13 26.08 1nti s GLU 42 CO 0.03 -0.37 1.11 0.50 0.01 0.00 0.00 175.26 176.54 1nti s ARG 43 N 2.35 4.07 0.00 1.61 3.52 -1.26 -4.86 118.95 124.39 1nti s ARG 43 Ca 0.22 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 1nti s ARG 43 Cb -0.16 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1nti s ARG 43 CO 0.09 -0.26 0.00 -2.30 -0.81 0.00 0.00 175.30 172.02 1nti n PRO 44 N -0.05 0.00 0.00 5.12 -0.02 -1.26 -4.71 135.00 134.09 1nti n PRO 44 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1nti n PRO 44 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 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 -0.29 1.63 0.00 -1.23 0.00 -1.26 -4.54 105.19 99.50 1nti n GLY 45 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.86 1.61 0.00 -1.26 -5.03 117.12 108.57 1nti n MET 46 Ca 0.00 0.01 -0.37 0.00 -0.00 0.00 0.00 57.70 57.35 1nti n MET 46 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 33.22 32.97 1nti n MET 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1nti s LEU 47 N -3.37 4.35 -0.30 -0.89 1.43 -1.26 -4.99 118.68 113.64 1nti s LEU 47 Ca 0.00 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1nti s LEU 47 Cb 0.00 -2.07 0.66 0.00 0.03 0.00 0.00 46.19 44.81 1nti s LEU 47 CO 0.00 0.37 1.71 0.47 0.23 0.00 0.00 176.35 179.13 1nti n ASP 48 N 2.24 4.46 -4.01 2.29 8.00 -1.26 -4.58 116.55 123.69 1nti n ASP 48 Ca -0.19 -3.11 -0.29 0.00 0.71 0.00 0.00 54.79 51.90 1nti n ASP 48 Cb 0.54 -0.73 0.25 0.00 -0.02 0.00 0.00 41.12 41.17 1nti n ASP 48 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nti s PHE 49 N -2.73 0.58 0.00 1.24 0.40 -1.26 -4.25 117.98 111.96 1nti s PHE 49 Ca 0.49 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 1nti s PHE 49 Cb 0.40 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.79 1nti s PHE 49 CO 0.12 -4.15 0.00 1.17 0.70 0.00 0.00 175.22 173.06 1nti n LYS 50 N -5.04 0.00 -0.14 0.44 4.81 -1.26 -0.19 118.16 116.78 1nti n LYS 50 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.44 1nti n LYS 50 Cb 0.58 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.63 1nti n LYS 50 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1nti h GLY 51 N 0.00 0.68 0.41 3.14 0.00 -1.89 -2.22 103.07 103.20 1nti h GLY 51 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.07 1nti h GLY 51 CO 0.00 0.36 0.53 1.70 0.00 0.00 0.00 176.54 179.12 1nti h LYS 52 N 0.54 0.79 0.64 4.80 3.64 -0.75 0.20 116.57 126.43 1nti h LYS 52 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1nti h LYS 52 Cb 0.20 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1nti h LYS 52 CO -0.01 0.53 -0.31 0.00 -2.27 0.00 0.00 179.45 177.39 1nti h ALA 53 N 1.52 -1.19 -0.33 5.00 0.00 -1.57 0.88 119.26 123.57 1nti h ALA 53 Ca 0.46 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1nti h ALA 53 Cb 0.51 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1nti h ALA 53 CO -0.29 -1.12 -0.19 0.87 0.00 0.00 0.00 179.25 178.52 1nti h LYS 54 N -0.89 -0.13 0.51 0.00 6.56 -0.95 0.32 116.57 121.99 1nti h LYS 54 Ca -0.09 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1nti h LYS 54 Cb 0.66 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.34 1nti h LYS 54 CO 0.14 -0.09 -0.39 2.35 -2.06 0.00 0.00 179.45 179.41 1nti h TRP 55 N -0.14 -1.05 -0.26 -1.35 7.01 -0.61 -0.02 115.95 119.53 1nti h TRP 55 Ca 0.17 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1nti h TRP 55 Cb 0.40 0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 27.81 1nti h TRP 55 CO -0.39 -0.55 -0.02 -0.44 -2.79 0.00 0.00 178.44 174.25 1nti h ASP 56 N -0.87 -0.15 -0.79 2.65 5.19 -0.72 0.38 116.42 122.11 1nti h ASP 56 Ca -0.07 0.06 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1nti h ASP 56 Cb 0.72 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.30 1nti h ASP 56 CO 0.02 -0.04 0.52 0.00 -3.12 0.00 0.00 179.24 176.62 1nti h ALA 57 N 1.23 1.79 0.08 3.45 0.00 -0.29 0.16 119.26 125.70 1nti h ALA 57 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nti h ALA 57 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nti h ALA 57 CO -0.23 0.03 -0.04 2.35 0.00 0.00 0.00 179.25 181.37 1nti h TRP 58 N 0.70 -0.10 -0.99 0.00 7.01 0.40 -3.24 115.95 119.73 1nti h TRP 58 Ca 0.37 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.62 1nti h TRP 58 Cb 0.49 0.03 -0.19 0.00 -2.10 0.00 0.00 29.16 27.40 1nti h TRP 58 CO -0.00 0.45 -0.03 -0.97 -2.79 0.00 0.00 178.44 175.09 1nti h ASN 59 N -0.85 -0.58 -1.59 2.65 -1.24 0.87 0.43 115.58 115.27 1nti h ASN 59 Ca -0.01 0.29 0.46 0.00 0.71 0.00 0.00 56.30 57.75 1nti h ASN 59 Cb 0.60 0.52 -0.06 0.00 0.73 0.00 0.00 38.32 40.10 1nti h ASN 59 CO 0.02 -0.35 1.24 -0.08 -1.29 0.00 0.00 177.43 176.96 1nti h GLU 60 N 0.00 0.00 -0.01 6.67 4.81 -0.75 0.30 114.58 125.60 1nti h GLU 60 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1nti h GLU 60 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1nti h GLU 60 CO -0.95 0.00 -0.11 1.28 -0.73 0.00 0.00 179.01 178.50 1nti n LEU 61 N -3.84 0.64 -4.63 1.64 4.77 0.15 -4.88 117.00 110.84 1nti n LEU 61 Ca 0.35 -0.09 -0.44 0.00 -0.03 0.00 0.00 56.01 55.80 1nti n LEU 61 Cb 1.73 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 42.64 1nti n LEU 61 CO 0.39 0.12 1.66 1.17 -1.33 0.00 0.00 177.39 179.40 1nti n LYS 62 N -0.78 2.33 0.00 3.23 4.81 0.11 -0.50 118.16 127.36 1nti n LYS 62 Ca 0.15 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1nti n LYS 62 Cb 0.28 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.38 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 5.00 2.47 3.81 3.14 0.00 -1.26 -5.09 105.19 113.25 1nti n GLY 63 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1nti n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nti s THR 64 N -2.31 4.45 0.43 2.61 2.01 0.35 -5.02 115.64 118.15 1nti s THR 64 Ca 0.00 1.45 -0.25 0.00 0.31 0.00 0.00 61.69 63.21 1nti s THR 64 Cb 0.00 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1nti s THR 64 CO 0.00 0.15 1.24 -0.55 -0.69 0.00 0.00 174.62 174.77 1nti s SER 65 N -1.69 6.24 0.31 3.53 0.15 -1.26 -4.83 113.70 116.15 1nti s SER 65 Ca 0.46 2.50 0.07 0.00 0.70 0.00 0.00 55.95 59.69 1nti s SER 65 Cb -0.17 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.34 1nti s SER 65 CO 0.21 -0.88 1.73 0.07 1.20 0.00 0.00 173.24 175.57 1nti h LYS 66 N 2.41 0.54 -0.50 5.44 2.10 -1.91 0.28 116.57 124.94 1nti h LYS 66 Ca -0.49 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.00 1nti h LYS 66 Cb 1.25 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1nti h LYS 66 CO 0.61 0.36 -0.16 0.93 -2.00 0.00 0.00 179.45 179.19 1nti h GLU 67 N 0.56 0.97 -0.35 0.07 5.08 -1.89 0.28 114.58 119.30 1nti h GLU 67 Ca 0.61 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1nti h GLU 67 Cb 1.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1nti h GLU 67 CO -0.47 1.05 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.11 1nti h ASP 68 N 0.85 0.64 0.83 1.42 3.32 -0.88 0.56 116.42 123.15 1nti h ASP 68 Ca 0.12 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 1nti h ASP 68 Cb 0.72 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1nti h ASP 68 CO 0.06 0.81 -0.48 0.00 -1.72 0.00 0.00 179.24 177.90 1nti h ALA 69 N 0.84 -1.26 -0.06 3.45 0.00 -0.87 0.13 119.26 121.49 1nti h ALA 69 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1nti h ALA 69 Cb 0.51 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1nti h ALA 69 CO 0.02 -1.22 -0.15 0.52 0.00 0.00 0.00 179.25 178.42 1nti h MET 70 N -1.22 -0.14 -0.32 0.00 2.86 -0.24 0.35 114.93 116.21 1nti h MET 70 Ca -0.11 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1nti h MET 70 Cb 0.97 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.61 1nti h MET 70 CO 0.13 -0.09 -0.28 0.87 1.06 0.00 0.00 176.91 178.60 1nti h LYS 71 N -0.15 -0.10 -0.94 1.72 1.57 0.16 0.34 116.57 119.16 1nti h LYS 71 Ca 0.01 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1nti h LYS 71 Cb 0.18 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1nti h LYS 71 CO -0.13 -0.07 0.57 0.00 -0.57 0.00 0.00 179.45 179.25 1nti h ALA 72 N -0.51 1.40 -0.52 3.86 0.00 -0.66 -1.00 119.26 121.84 1nti h ALA 72 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 72 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nti h ALA 72 CO -0.36 0.17 0.19 -0.92 0.00 0.00 0.00 179.25 178.33 1nti h TYR 73 N 0.91 0.81 0.37 0.00 5.03 0.16 0.22 116.97 124.47 1nti h TYR 73 Ca 0.47 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.70 1nti h TYR 73 Cb 0.47 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1nti h TYR 73 CO -0.03 0.68 -0.24 0.82 -1.32 0.00 0.00 178.16 178.07 1nti h ILE 74 N 0.71 0.49 0.42 1.81 2.04 0.80 0.29 117.51 124.07 1nti h ILE 74 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1nti h ILE 74 Cb 0.23 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1nti h ILE 74 CO -0.01 0.00 -0.20 0.44 0.00 0.00 0.00 178.15 178.38 1nti h ASP 75 N -0.59 -0.48 -0.57 1.72 5.19 -1.15 0.86 116.42 121.40 1nti h ASP 75 Ca -0.04 -0.05 0.12 0.00 -0.62 0.00 0.00 57.03 56.44 1nti h ASP 75 Cb 0.50 0.12 -0.10 0.00 0.18 0.00 0.00 39.33 40.04 1nti h ASP 75 CO 0.03 -0.24 -0.01 0.50 -3.12 0.00 0.00 179.24 176.39 1nti h LYS 76 N -0.69 0.10 -0.73 3.56 3.11 -0.46 0.64 116.57 122.11 1nti h LYS 76 Ca -0.06 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1nti h LYS 76 Cb 0.50 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 1nti h LYS 76 CO 0.09 0.07 0.32 0.28 -2.81 0.00 0.00 179.45 177.40 1nti h VAL 77 N 0.11 1.24 -0.87 2.00 2.07 -0.30 0.32 116.25 120.81 1nti h VAL 77 Ca 0.29 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1nti h VAL 77 Cb 0.46 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1nti h VAL 77 CO -0.49 0.30 0.57 -0.08 0.02 0.00 0.00 177.57 177.89 1nti h GLU 78 N 1.03 0.98 0.70 1.57 4.22 0.25 0.23 114.58 123.56 1nti h GLU 78 Ca 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 1nti h GLU 78 Cb 0.17 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1nti h GLU 78 CO -0.02 0.65 -0.48 0.93 -2.18 0.00 0.00 179.01 177.90 1nti h GLU 79 N 1.01 -1.08 -1.04 1.92 5.08 0.19 0.44 114.58 121.10 1nti h GLU 79 Ca 0.37 0.07 0.28 0.00 -1.00 0.00 0.00 59.36 59.08 1nti h GLU 79 Cb 0.17 0.25 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1nti h GLU 79 CO -0.13 -0.72 0.70 -0.07 -1.00 0.00 0.00 179.01 177.79 1nti h LEU 80 N -1.12 0.29 -0.08 1.33 3.38 0.05 0.38 115.31 119.55 1nti h LEU 80 Ca -0.09 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1nti h LEU 80 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1nti h LEU 80 CO 0.06 0.06 -0.20 0.50 0.09 0.00 0.00 178.44 178.96 1nti h LYS 81 N 0.26 0.27 -0.26 1.13 3.64 0.71 0.24 116.57 122.57 1nti h LYS 81 Ca 0.56 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1nti h LYS 81 Cb 1.67 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 1nti h LYS 81 CO -0.19 0.80 -0.18 0.87 -2.27 0.00 0.00 179.45 178.48 1nti h LYS 82 N -0.22 0.45 0.04 1.90 1.57 0.12 0.47 116.57 120.91 1nti h LYS 82 Ca -0.00 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1nti h LYS 82 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1nti h LYS 82 CO 0.04 0.62 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.30 1nti h LYS 83 N 0.41 -0.05 0.00 3.15 3.64 -0.23 -3.40 116.57 120.09 1nti h LYS 83 Ca 0.07 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 1nti h LYS 83 Cb 0.55 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1nti h LYS 83 CO 0.04 0.35 -1.56 0.66 -2.27 0.00 0.00 179.45 176.67 1nti n TYR 84 N -4.92 0.00 -1.22 1.91 4.01 0.84 -5.06 117.16 112.71 1nti n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nti n TYR 84 Cb 0.22 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 2.44 0.79 0.28 2.72 0.00 0.17 -4.60 105.19 106.99 1nti n GLY 85 Ca -0.13 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.23 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83