#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 2.18 0.10 -1.46 0.74 -1.26 -5.01 119.66 114.95 1nti s GLN 2 Ca 0.00 -1.97 -0.15 0.00 0.05 0.00 0.00 55.36 53.29 1nti s GLN 2 Cb 0.00 -3.66 0.01 0.00 1.10 0.00 0.00 33.01 30.46 1nti s GLN 2 CO 0.00 -1.11 0.88 0.00 -0.55 0.00 0.00 175.29 174.51 1nti n ALA 3 N 4.39 -0.28 -0.23 1.58 0.00 -1.26 -0.73 120.51 123.98 1nti n ALA 3 Ca -0.01 0.51 0.03 0.00 0.00 0.00 0.00 53.44 53.97 1nti n ALA 3 Cb 0.41 -0.13 0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 0.39 0.10 0.00 5.08 -1.97 0.24 114.58 118.42 1nti h GLU 4 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nti h GLU 4 Cb 0.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nti h GLU 4 CO -0.54 0.26 -0.05 0.35 -1.00 0.00 0.00 179.01 178.03 1nti h PHE 5 N 0.41 -0.12 -0.61 4.33 3.04 -1.27 0.27 116.94 122.98 1nti h PHE 5 Ca 0.36 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.39 1nti h PHE 5 Cb 0.51 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.99 1nti h PHE 5 CO -0.18 0.40 0.26 -0.44 -2.02 0.00 0.00 178.31 176.33 1nti h ASP 6 N -0.84 0.30 -0.06 0.41 5.19 -1.07 0.35 116.42 120.70 1nti h ASP 6 Ca -0.01 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1nti h ASP 6 Cb 0.58 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1nti h ASP 6 CO 0.02 0.18 -0.04 0.50 -3.12 0.00 0.00 179.24 176.78 1nti h LYS 7 N 0.46 -0.04 -0.20 3.56 3.64 -0.51 0.31 116.57 123.78 1nti h LYS 7 Ca 0.30 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1nti h LYS 7 Cb 0.34 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1nti h LYS 7 CO -0.27 -0.03 -0.20 0.00 -2.27 0.00 0.00 179.45 176.68 1nti h ALA 8 N 1.01 -0.09 -0.11 5.00 0.00 0.24 0.13 119.26 125.45 1nti h ALA 8 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nti h ALA 8 Cb 0.10 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1nti h ALA 8 CO -0.09 -0.63 -0.14 0.00 0.00 0.00 0.00 179.25 178.39 1nti h ALA 9 N 0.85 -0.06 -0.41 0.00 0.00 0.09 0.35 119.26 120.07 1nti h ALA 9 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1nti h ALA 9 Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1nti h ALA 9 CO -0.33 -0.59 -0.24 1.49 0.00 0.00 0.00 179.25 179.58 1nti h GLU 10 N -0.17 0.89 0.58 0.00 4.81 -0.25 -1.77 114.58 118.66 1nti h GLU 10 Ca 0.08 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1nti h GLU 10 Cb 0.29 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1nti h GLU 10 CO -0.21 1.05 -0.28 0.93 -0.73 0.00 0.00 179.01 179.77 1nti h GLU 11 N 0.71 -0.75 -0.63 1.92 5.08 -0.35 -3.12 114.58 117.43 1nti h GLU 11 Ca 0.09 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1nti h GLU 11 Cb 0.81 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.11 1nti h GLU 11 CO 0.07 -0.47 -0.36 -0.24 -1.00 0.00 0.00 179.01 177.02 1nti h VAL 12 N -0.88 0.14 0.00 3.13 3.04 -0.20 0.44 116.25 121.92 1nti h VAL 12 Ca -0.08 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1nti h VAL 12 Cb 0.63 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1nti h VAL 12 CO 0.13 0.00 0.00 2.29 -1.01 0.00 0.00 177.57 178.98 1nti n LYS 13 N -5.43 0.16 -0.26 4.17 2.85 -0.67 -2.11 118.16 116.86 1nti n LYS 13 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1nti n LYS 13 Cb 0.36 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 1nti n LYS 13 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1nti n HIS 14 N -0.66 0.00 -1.05 5.58 8.25 0.15 -5.10 115.22 122.39 1nti n HIS 14 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 1nti n HIS 14 Cb 0.01 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.23 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 0.00 2.59 0.32 2.41 1.43 -0.65 -4.87 118.68 119.91 1nti s LEU 15 Ca 0.00 1.79 0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1nti s LEU 15 Cb 0.00 -4.26 1.04 0.00 0.03 0.00 0.00 46.19 42.99 1nti s LEU 15 CO 0.00 -2.64 1.46 1.17 0.23 0.00 0.00 176.35 176.57 1nti n LYS 16 N -3.91 -0.06 -4.52 1.70 3.00 0.19 -4.44 118.16 110.12 1nti n LYS 16 Ca 0.09 1.32 -0.25 0.00 -0.00 0.00 0.00 58.31 59.47 1nti n LYS 16 Cb 0.54 -2.26 -0.10 0.00 0.00 0.00 0.00 35.03 33.20 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1nti s THR 17 N -5.61 2.17 -0.25 3.15 2.01 -1.26 -4.99 115.64 110.86 1nti s THR 17 Ca -0.10 -2.21 -0.18 0.00 0.31 0.00 0.00 61.69 59.51 1nti s THR 17 Cb 0.30 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1nti s THR 17 CO 0.72 -0.24 0.50 -0.54 -0.69 0.00 0.00 174.62 174.38 1nti s LYS 18 N -3.62 4.08 0.34 4.92 1.02 -1.26 -4.94 119.74 120.27 1nti s LYS 18 Ca 0.32 0.31 -0.25 0.00 0.02 0.00 0.00 55.97 56.36 1nti s LYS 18 Cb 0.02 -3.64 -0.14 0.00 -0.52 0.00 0.00 37.83 33.55 1nti s LYS 18 CO 0.16 -0.31 0.71 -0.35 -0.92 0.00 0.00 175.35 174.63 1nti n PRO 19 N 5.41 0.75 -1.22 -1.68 -0.04 -1.26 -4.95 135.00 132.02 1nti n PRO 19 Ca -0.05 0.27 -0.32 0.00 -0.04 0.00 0.00 63.50 63.36 1nti n PRO 19 Cb 0.50 -1.54 0.11 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.24 2.02 0.00 0.55 0.00 -1.26 -4.43 121.76 117.41 1nti s ALA 20 Ca 0.62 0.58 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1nti s ALA 20 Cb -0.69 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.04 1nti s ALA 20 CO 0.58 -2.01 0.65 -3.47 0.00 0.00 0.00 175.76 171.51 1nti n ASP 21 N -3.33 -0.01 -0.34 0.00 -0.08 -1.26 0.45 116.55 111.98 1nti n ASP 21 Ca 0.11 0.65 0.34 0.00 -1.51 0.00 0.00 54.79 54.39 1nti n ASP 21 Cb 0.52 -0.32 0.72 0.00 2.34 0.00 0.00 41.12 44.38 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1nti h GLU 22 N 0.00 0.06 0.09 -0.67 5.08 -1.98 0.25 114.58 117.42 1nti h GLU 22 Ca 0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nti h GLU 22 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nti h GLU 22 CO -0.01 0.04 -0.54 0.93 -1.00 0.00 0.00 179.01 178.43 1nti h GLU 23 N 0.06 0.20 -0.60 2.33 5.08 -0.32 0.49 114.58 121.82 1nti h GLU 23 Ca 0.59 -0.34 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 1nti h GLU 23 Cb 2.21 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 31.50 1nti h GLU 23 CO -0.06 1.16 0.07 0.52 -1.00 0.00 0.00 179.01 179.70 1nti h MET 24 N -0.59 0.18 -0.28 2.33 2.86 0.22 0.27 114.93 119.93 1nti h MET 24 Ca -0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1nti h MET 24 Cb 1.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1nti h MET 24 CO 0.10 0.12 0.04 -0.07 1.06 0.00 0.00 176.91 178.16 1nti h LEU 25 N 0.19 0.45 -0.24 1.22 3.38 -0.65 0.42 115.31 120.08 1nti h LEU 25 Ca 0.31 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1nti h LEU 25 Cb 0.49 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1nti h LEU 25 CO -0.45 0.60 0.06 0.15 0.09 0.00 0.00 178.44 178.89 1nti h PHE 26 N 0.28 0.11 0.00 1.13 3.04 0.15 0.17 116.94 121.81 1nti h PHE 26 Ca 0.08 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1nti h PHE 26 Cb 0.35 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1nti h PHE 26 CO 0.02 0.04 0.00 -0.89 -2.02 0.00 0.00 178.31 175.47 1nti n ILE 27 N -5.06 0.00 -0.07 1.41 -0.00 0.80 -0.90 119.36 115.53 1nti n ILE 27 Ca -0.02 0.81 -0.01 0.00 -0.00 0.00 0.00 62.75 63.53 1nti n ILE 27 Cb 0.10 -1.79 -0.01 0.00 -0.00 0.00 0.00 39.64 37.94 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 -0.32 -0.04 0.38 1.39 4.19 0.15 0.20 117.16 123.11 1nti n TYR 28 Ca 0.00 0.22 -0.19 0.00 3.31 0.00 0.00 57.90 61.24 1nti n TYR 28 Cb 0.00 -0.54 -0.10 0.00 0.49 0.00 0.00 39.34 39.19 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 -1.32 -0.62 2.98 4.64 -0.61 0.88 113.55 119.51 1nti h SER 29 Ca 0.04 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1nti h SER 29 Cb 0.09 0.40 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1nti h SER 29 CO -0.17 -0.73 0.10 0.45 -0.87 0.00 0.00 176.83 175.61 1nti h HIS 30 N -1.14 1.11 -0.60 4.77 3.86 0.11 0.10 115.15 123.36 1nti h HIS 30 Ca -0.09 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1nti h HIS 30 Cb 0.94 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 1nti h HIS 30 CO -0.17 0.94 0.35 -0.92 0.86 0.00 0.00 177.93 178.99 1nti h TYR 31 N 0.98 0.79 0.69 2.45 3.20 -0.16 0.33 116.97 125.26 1nti h TYR 31 Ca 0.20 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1nti h TYR 31 Cb 0.43 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.45 1nti h TYR 31 CO 0.03 0.55 -0.33 0.87 -1.64 0.00 0.00 178.16 177.64 1nti h LYS 32 N 0.81 -0.90 -0.74 1.82 1.79 -0.33 0.84 116.57 119.86 1nti h LYS 32 Ca 0.21 0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.87 1nti h LYS 32 Cb -0.01 0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 1nti h LYS 32 CO -0.04 -0.58 0.49 0.37 -1.08 0.00 0.00 179.45 178.61 1nti h GLN 33 N -1.21 0.48 -0.13 3.15 -0.00 -0.73 0.52 115.11 117.18 1nti h GLN 33 Ca -0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 1nti h GLN 33 Cb 0.73 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.10 1nti h GLN 33 CO 0.16 0.32 0.01 0.00 0.00 0.00 0.00 178.83 179.31 1nti h ALA 34 N 1.64 0.17 0.00 3.38 0.00 -0.20 -3.09 119.26 121.16 1nti h ALA 34 Ca 0.36 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1nti h ALA 34 Cb 0.71 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1nti h ALA 34 CO -0.12 -0.15 -2.05 0.25 0.00 0.00 0.00 179.25 177.18 1nti n THR 35 N -4.80 0.86 -0.10 0.00 -2.24 0.28 -4.73 114.28 103.55 1nti n THR 35 Ca -0.06 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 60.96 1nti n THR 35 Cb 0.19 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.49 1.11 0.00 2.28 0.31 0.14 -5.06 118.33 114.62 1nti n VAL 36 Ca -0.21 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1nti n VAL 36 Cb 0.90 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 2.55 -0.24 3.57 2.92 0.00 0.84 -4.95 105.19 109.87 1nti n GLY 37 Ca -0.35 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.25 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 3.02 0.00 1.61 9.92 -1.25 -3.35 116.55 126.50 1nti n ASP 38 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1nti n ASP 38 Cb 0.00 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 38.99 1nti n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nti n ILE 39 N 7.59 0.00 -0.14 0.53 3.06 -1.26 -4.90 119.36 124.23 1nti n ILE 39 Ca 0.32 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.57 1nti n ILE 39 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 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 0.00 1.03 -4.89 9.51 5.03 -1.26 -5.04 115.26 119.64 1nti n ASN 40 Ca 0.00 -1.17 -0.21 0.00 0.87 0.00 0.00 54.58 54.07 1nti n ASN 40 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nti s THR 41 N -0.17 4.56 0.12 3.41 -4.23 -1.26 -5.07 115.64 113.00 1nti s THR 41 Ca 0.00 -1.23 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 1nti s THR 41 Cb 0.00 -3.53 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 1nti s THR 41 CO 0.00 -0.30 1.16 -1.61 -0.54 0.00 0.00 174.62 173.33 1nti s GLU 42 N -3.94 4.50 0.06 3.99 0.41 -1.26 -5.00 118.70 117.46 1nti s GLU 42 Ca 0.35 1.77 -0.31 0.00 -0.41 0.00 0.00 54.97 56.37 1nti s GLU 42 Cb -0.08 -3.30 -0.07 0.00 -1.78 0.00 0.00 34.13 28.89 1nti s GLU 42 CO 0.27 -0.11 1.49 0.50 -0.49 0.00 0.00 175.26 176.92 1nti s ARG 43 N 0.32 4.26 0.00 1.61 3.52 -1.26 -4.98 118.95 122.43 1nti s ARG 43 Ca 0.54 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 1nti s ARG 43 Cb -0.30 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1nti s ARG 43 CO 0.33 -0.59 0.00 -2.30 -0.81 0.00 0.00 175.30 171.92 1nti n PRO 44 N 4.99 0.00 0.00 5.12 -0.02 -1.26 -4.91 135.00 138.92 1nti n PRO 44 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1nti n PRO 44 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 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 0.00 2.91 0.00 -1.23 0.00 -1.26 -5.00 105.19 100.61 1nti n GLY 45 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 3.05 -0.49 1.61 2.81 -1.26 -4.93 117.12 117.91 1nti n MET 46 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1nti n MET 46 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.00 3.11 -4.65 4.03 4.77 -1.26 -4.84 117.00 118.16 1nti n LEU 47 Ca 0.00 -2.13 -0.28 0.00 -0.03 0.00 0.00 56.01 53.58 1nti n LEU 47 Cb 0.00 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.19 1nti n LEU 47 CO 0.00 0.17 -0.35 -1.81 -1.33 0.00 0.00 177.39 174.07 1nti s ASP 48 N 3.50 4.75 0.00 -1.43 1.11 -1.26 -5.08 116.67 118.26 1nti s ASP 48 Ca 0.28 -0.36 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1nti s ASP 48 Cb 0.09 -1.02 0.00 0.00 1.07 0.00 0.00 42.92 43.06 1nti s ASP 48 CO -0.02 0.12 0.00 0.49 1.18 0.00 0.00 175.17 176.94 1nti n PHE 49 N 0.13 0.00 0.17 4.23 3.01 -1.26 -4.81 117.46 118.93 1nti n PHE 49 Ca -0.10 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.37 1nti n PHE 49 Cb 0.54 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.09 1nti n PHE 49 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1nti h LYS 50 N 0.00 0.00 -0.46 -1.08 1.57 -2.01 0.14 116.57 114.73 1nti h LYS 50 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1nti h LYS 50 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1nti h LYS 50 CO 0.00 0.00 0.22 0.78 -0.57 0.00 0.00 179.45 179.88 1nti h GLY 51 N 0.00 0.68 1.12 3.86 0.00 -1.99 -1.58 103.07 105.16 1nti h GLY 51 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1nti h GLY 51 CO 0.00 0.29 -0.61 0.07 0.00 0.00 0.00 176.54 176.29 1nti h LYS 52 N 0.64 0.81 0.69 4.80 2.10 -1.04 0.15 116.57 124.72 1nti h LYS 52 Ca 0.16 -0.57 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 1nti h LYS 52 Cb 0.07 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1nti h LYS 52 CO -0.02 1.20 -0.47 0.00 -2.00 0.00 0.00 179.45 178.16 1nti h ALA 53 N 0.62 -1.23 -0.39 0.07 0.00 -1.47 0.40 119.26 117.25 1nti h ALA 53 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1nti h ALA 53 Cb 1.23 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.54 1nti h ALA 53 CO 0.13 -1.20 -0.47 -0.22 0.00 0.00 0.00 179.25 177.49 1nti h LYS 54 N -1.09 -0.35 0.69 0.00 3.11 -1.37 0.29 116.57 117.85 1nti h LYS 54 Ca -0.09 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1nti h LYS 54 Cb 0.89 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1nti h LYS 54 CO 0.07 -0.23 -0.45 2.35 -2.81 0.00 0.00 179.45 178.38 1nti h TRP 55 N -0.36 -1.19 -0.43 1.91 7.01 -0.47 -1.12 115.95 121.30 1nti h TRP 55 Ca 0.12 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.19 1nti h TRP 55 Cb 0.59 0.43 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 1nti h TRP 55 CO -0.65 -0.66 -0.01 -0.44 -2.79 0.00 0.00 178.44 173.90 1nti h ASP 56 N -1.07 -0.19 -0.88 2.65 5.19 -0.07 0.33 116.42 122.37 1nti h ASP 56 Ca -0.09 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1nti h ASP 56 Cb 0.86 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.49 1nti h ASP 56 CO 0.08 -0.06 0.57 0.00 -3.12 0.00 0.00 179.24 176.71 1nti h ALA 57 N 1.38 1.67 0.00 3.45 0.00 -0.30 0.24 119.26 125.70 1nti h ALA 57 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nti h ALA 57 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nti h ALA 57 CO -0.36 0.14 -0.01 2.35 0.00 0.00 0.00 179.25 181.38 1nti h TRP 58 N 0.85 0.00 -0.91 0.00 7.01 0.16 -3.29 115.95 119.77 1nti h TRP 58 Ca 0.41 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.67 1nti h TRP 58 Cb 0.45 -0.00 -0.15 0.00 -2.10 0.00 0.00 29.16 27.36 1nti h TRP 58 CO -0.00 1.00 0.26 -0.97 -2.79 0.00 0.00 178.44 175.94 1nti h ASN 59 N -1.00 0.01 -1.33 2.65 -1.24 0.20 0.44 115.58 115.31 1nti h ASN 59 Ca -0.00 0.21 0.39 0.00 0.71 0.00 0.00 56.30 57.61 1nti h ASN 59 Cb 1.00 0.28 -0.08 0.00 0.73 0.00 0.00 38.32 40.25 1nti h ASN 59 CO -0.00 -0.20 0.91 -0.08 -1.29 0.00 0.00 177.43 176.78 1nti h GLU 60 N 0.18 0.11 0.00 6.67 4.81 -0.61 0.54 114.58 126.28 1nti h GLU 60 Ca 0.59 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1nti h GLU 60 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1nti h GLU 60 CO -0.69 0.07 -1.21 1.28 -0.73 0.00 0.00 179.01 177.73 1nti n LEU 61 N -4.37 0.67 -0.01 1.64 4.77 0.15 -4.81 117.00 115.04 1nti n LEU 61 Ca 0.32 -0.27 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1nti n LEU 61 Cb 1.35 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 42.43 1nti n LEU 61 CO 0.33 0.15 0.04 1.17 -1.33 0.00 0.00 177.39 177.75 1nti n LYS 62 N -1.76 -0.00 -0.48 3.23 0.00 0.19 0.29 118.16 119.63 1nti n LYS 62 Ca 0.02 0.06 0.08 0.00 0.00 0.00 0.00 58.31 58.47 1nti n LYS 62 Cb 0.41 -0.11 0.29 0.00 0.00 0.00 0.00 35.03 35.62 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nti n GLY 63 N -1.02 3.09 3.51 3.14 0.00 -1.26 -3.78 105.19 108.88 1nti n GLY 63 Ca 0.01 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.92 2.02 -0.37 2.61 2.01 0.15 -4.97 115.64 115.17 1nti s THR 64 Ca 0.42 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 1nti s THR 64 Cb 0.29 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.73 1nti s THR 64 CO 0.18 -0.01 0.29 -0.44 -0.69 0.00 0.00 174.62 173.95 1nti s SER 65 N -2.54 6.10 0.21 3.53 0.01 -1.26 -4.85 113.70 114.89 1nti s SER 65 Ca 0.68 -0.63 0.11 0.00 1.31 0.00 0.00 55.95 57.43 1nti s SER 65 Cb -0.25 -2.16 0.75 0.00 0.21 0.00 0.00 66.02 64.57 1nti s SER 65 CO 0.64 -0.35 0.91 2.29 0.41 0.00 0.00 173.24 177.14 1nti n LYS 66 N 5.18 -0.04 -0.14 12.44 2.85 -1.26 -0.24 118.16 136.95 1nti n LYS 66 Ca -0.11 0.80 -0.05 0.00 -1.05 0.00 0.00 58.31 57.90 1nti n LYS 66 Cb 0.48 -1.42 0.02 0.00 -0.65 0.00 0.00 35.03 33.46 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1nti h GLU 67 N 0.00 -0.12 -0.52 -1.58 5.08 -1.87 0.34 114.58 115.90 1nti h GLU 67 Ca 0.48 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 1nti h GLU 67 Cb 1.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1nti h GLU 67 CO -0.45 -0.08 0.20 -0.44 -1.00 0.00 0.00 179.01 177.24 1nti h ASP 68 N -0.13 0.72 -0.35 1.42 3.32 -1.02 0.12 116.42 120.50 1nti h ASP 68 Ca 0.22 -0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.16 1nti h ASP 68 Cb 0.47 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 1nti h ASP 68 CO -0.54 0.70 -0.09 0.00 -1.72 0.00 0.00 179.24 177.59 1nti h ALA 69 N 1.05 0.23 0.33 3.45 0.00 -1.18 0.36 119.26 123.50 1nti h ALA 69 Ca 0.17 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nti h ALA 69 Cb 0.21 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nti h ALA 69 CO -0.01 -0.46 -0.52 0.52 0.00 0.00 0.00 179.25 178.78 1nti h MET 70 N -0.00 -0.86 0.14 0.00 2.86 0.34 0.24 114.93 117.64 1nti h MET 70 Ca 0.17 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1nti h MET 70 Cb 0.26 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1nti h MET 70 CO -0.37 -0.57 -0.32 0.87 1.06 0.00 0.00 176.91 177.58 1nti h LYS 71 N -0.89 -0.48 -0.60 1.72 1.57 -0.21 0.12 116.57 117.80 1nti h LYS 71 Ca -0.04 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1nti h LYS 71 Cb 0.82 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.13 1nti h LYS 71 CO -0.16 -0.32 -0.33 0.00 -0.57 0.00 0.00 179.45 178.07 1nti h ALA 72 N -1.03 -0.03 -0.08 3.86 0.00 -0.26 0.13 119.26 121.86 1nti h ALA 72 Ca -0.01 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1nti h ALA 72 Cb 0.48 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1nti h ALA 72 CO -0.14 -0.67 -0.37 -0.92 0.00 0.00 0.00 179.25 177.16 1nti h TYR 73 N -0.16 -1.04 -0.13 0.00 5.03 -0.13 0.26 116.97 120.81 1nti h TYR 73 Ca 0.24 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.63 1nti h TYR 73 Cb 0.55 0.47 -0.07 0.00 1.55 0.00 0.00 36.73 39.23 1nti h TYR 73 CO -0.64 -0.45 -0.39 0.82 -1.32 0.00 0.00 178.16 176.19 1nti h ILE 74 N -0.48 0.18 0.41 1.81 2.04 0.14 0.34 117.51 121.96 1nti h ILE 74 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1nti h ILE 74 Cb 0.60 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1nti h ILE 74 CO -0.34 0.00 -0.47 0.44 0.00 0.00 0.00 178.15 177.78 1nti h ASP 75 N -0.47 -1.30 -0.41 1.72 3.32 -0.39 0.13 116.42 119.01 1nti h ASP 75 Ca 0.08 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.32 1nti h ASP 75 Cb 0.61 0.44 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1nti h ASP 75 CO -0.38 -0.61 -0.04 0.11 -1.72 0.00 0.00 179.24 176.59 1nti h LYS 76 N -0.91 0.06 -0.57 3.56 1.79 -0.12 0.32 116.57 120.69 1nti h LYS 76 Ca -0.04 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1nti h LYS 76 Cb 0.81 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 1nti h LYS 76 CO -0.10 0.04 0.32 0.28 -1.08 0.00 0.00 179.45 178.91 1nti h VAL 77 N 0.06 1.18 -0.74 0.50 2.07 -0.13 0.16 116.25 119.35 1nti h VAL 77 Ca 0.20 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1nti h VAL 77 Cb 0.30 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1nti h VAL 77 CO -0.38 0.19 0.42 -0.08 0.02 0.00 0.00 177.57 177.75 1nti h GLU 78 N 0.77 1.02 0.73 1.57 4.81 0.52 0.34 114.58 124.33 1nti h GLU 78 Ca 0.20 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1nti h GLU 78 Cb 0.03 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1nti h GLU 78 CO -0.03 0.74 -0.43 0.93 -0.73 0.00 0.00 179.01 179.48 1nti h GLU 79 N 1.01 -1.05 -0.97 1.92 5.08 0.54 -0.86 114.58 120.25 1nti h GLU 79 Ca 0.26 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.83 1nti h GLU 79 Cb 0.00 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 1nti h GLU 79 CO -0.05 -0.70 -0.43 1.28 -1.00 0.00 0.00 179.01 178.12 1nti n LEU 80 N -5.57 -0.73 -0.23 1.33 4.77 0.47 0.69 117.00 117.73 1nti n LEU 80 Ca -0.14 1.71 -0.00 0.00 -0.03 0.00 0.00 56.01 57.55 1nti n LEU 80 Cb 0.46 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.31 1nti n LEU 80 CO 0.35 -1.50 1.05 0.50 -1.33 0.00 0.00 177.39 176.46 1nti h LYS 81 N 0.00 0.55 0.44 3.23 3.64 -0.56 0.28 116.57 124.15 1nti h LYS 81 Ca 0.30 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1nti h LYS 81 Cb 0.54 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1nti h LYS 81 CO -0.96 0.36 -0.21 0.87 -2.27 0.00 0.00 179.45 177.24 1nti h LYS 82 N 0.56 -0.58 -0.36 1.90 6.56 0.17 0.55 116.57 125.38 1nti h LYS 82 Ca 0.32 0.04 0.06 0.00 -1.06 0.00 0.00 60.65 60.01 1nti h LYS 82 Cb 0.31 0.13 -0.09 0.00 -0.57 0.00 0.00 32.23 32.02 1nti h LYS 82 CO -0.25 -0.38 -0.43 -0.22 -2.06 0.00 0.00 179.45 176.11 1nti h LYS 83 N -0.60 -0.34 0.02 3.15 3.64 0.21 -3.24 116.57 119.41 1nti h LYS 83 Ca -0.06 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1nti h LYS 83 Cb 0.46 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1nti h LYS 83 CO 0.10 -0.23 -0.01 1.88 -2.27 0.00 0.00 179.45 178.92 1nti h TYR 84 N -0.36 -0.03 0.00 1.91 0.05 -0.51 -3.50 116.97 114.53 1nti h TYR 84 Ca 0.13 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1nti h TYR 84 Cb 0.59 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1nti h TYR 84 CO -0.60 -0.02 0.00 0.41 -1.05 0.00 0.00 178.16 176.90 1nti n GLY 85 N 1.75 2.83 0.00 3.88 0.00 0.19 -4.95 105.19 108.89 1nti n GLY 85 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83