#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 2.88 -0.93 -1.46 10.64 -1.26 -5.02 117.38 122.23 1nti n GLN 2 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 1nti n GLN 2 Cb 0.00 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.41 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1nti n ALA 3 N -3.00 -5.33 0.04 2.61 0.00 -1.26 -4.41 120.51 109.16 1nti n ALA 3 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 53.44 52.62 1nti n ALA 3 Cb 0.00 -0.95 0.15 0.00 0.00 0.00 0.00 19.45 18.64 1nti n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nti n GLU 4 N 2.32 0.03 -0.01 0.00 -0.58 -1.26 -1.55 120.64 119.59 1nti n GLU 4 Ca -0.02 0.52 -0.06 0.00 -0.42 0.00 0.00 57.16 57.18 1nti n GLU 4 Cb 0.58 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.77 1nti n GLU 4 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1nti h PHE 5 N 0.00 -0.08 0.05 -0.32 3.57 -1.90 0.22 116.94 118.47 1nti h PHE 5 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1nti h PHE 5 Cb 0.05 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1nti h PHE 5 CO 0.00 0.22 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.71 1nti h ASP 6 N -1.00 -0.43 -0.35 0.41 5.19 -1.78 0.15 116.42 118.61 1nti h ASP 6 Ca -0.01 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.53 1nti h ASP 6 Cb 0.34 0.17 -0.09 0.00 0.18 0.00 0.00 39.33 39.94 1nti h ASP 6 CO 0.01 -0.22 -0.29 0.50 -3.12 0.00 0.00 179.24 176.13 1nti h LYS 7 N -0.28 -0.24 -0.51 3.56 3.64 -1.38 0.65 116.57 122.02 1nti h LYS 7 Ca 0.04 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1nti h LYS 7 Cb 0.32 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1nti h LYS 7 CO -0.12 -0.16 -0.12 0.00 -2.27 0.00 0.00 179.45 176.79 1nti h ALA 8 N 0.80 0.35 -0.61 5.00 0.00 0.12 0.17 119.26 125.09 1nti h ALA 8 Ca 0.17 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1nti h ALA 8 Cb 0.51 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1nti h ALA 8 CO -0.49 -0.44 0.28 0.00 0.00 0.00 0.00 179.25 178.60 1nti h ALA 9 N 1.51 1.35 -0.15 0.00 0.00 0.18 0.27 119.26 122.42 1nti h ALA 9 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nti h ALA 9 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nti h ALA 9 CO -0.52 0.50 0.05 0.93 0.00 0.00 0.00 179.25 180.22 1nti h GLU 10 N 0.86 0.23 0.40 0.00 5.08 0.22 -1.91 114.58 119.45 1nti h GLU 10 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1nti h GLU 10 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nti h GLU 10 CO -0.03 0.33 -0.19 0.93 -1.00 0.00 0.00 179.01 179.06 1nti h GLU 11 N 0.07 -0.51 -0.42 2.33 3.07 -0.38 -3.13 114.58 115.61 1nti h GLU 11 Ca 0.05 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 1nti h GLU 11 Cb 0.20 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.16 1nti h GLU 11 CO -0.00 -0.30 0.04 -0.24 -1.40 0.00 0.00 179.01 177.11 1nti h VAL 12 N -0.61 0.72 0.00 3.13 3.04 -0.44 0.16 116.25 122.26 1nti h VAL 12 Ca -0.05 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1nti h VAL 12 Cb 0.45 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1nti h VAL 12 CO 0.09 0.03 0.00 0.29 -1.01 0.00 0.00 177.57 176.97 1nti n LYS 13 N -5.16 0.00 -0.12 4.17 5.02 -0.72 -0.55 118.16 120.80 1nti n LYS 13 Ca 0.03 0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.39 1nti n LYS 13 Cb 0.21 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.00 0.00 -1.63 2.13 8.25 0.54 -5.09 115.22 118.42 1nti n HIS 14 Ca 0.00 -0.47 -0.53 0.00 -0.26 0.00 0.00 57.72 56.47 1nti n HIS 14 Cb 0.00 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 1nti n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nti n LEU 15 N -0.60 2.01 -0.60 2.41 4.77 0.29 -4.74 117.00 120.54 1nti n LEU 15 Ca 0.05 1.10 0.47 0.00 -0.03 0.00 0.00 56.01 57.60 1nti n LEU 15 Cb 0.51 -1.20 0.77 0.00 -2.33 0.00 0.00 43.42 41.16 1nti n LEU 15 CO 0.00 -0.80 1.40 0.50 -1.33 0.00 0.00 177.39 177.16 1nti h LYS 16 N 5.50 0.01 -5.36 3.23 3.11 -1.56 -3.40 116.57 118.11 1nti h LYS 16 Ca -0.47 -0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 56.85 1nti h LYS 16 Cb 1.32 -0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.41 1nti h LYS 16 CO 0.84 0.01 -0.60 0.99 -2.81 0.00 0.00 179.45 177.87 1nti s THR 17 N -5.01 1.43 -0.75 1.00 2.01 -1.26 -5.05 115.64 108.01 1nti s THR 17 Ca -0.06 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 59.79 1nti s THR 17 Cb 0.28 -2.85 0.19 0.00 0.01 0.00 0.00 72.50 70.12 1nti s THR 17 CO 0.87 0.00 0.72 -1.59 -0.69 0.00 0.00 174.62 173.92 1nti s LYS 18 N -3.84 3.42 0.00 4.92 0.00 -1.26 -5.04 119.74 117.94 1nti s LYS 18 Ca 0.36 -2.18 0.00 0.00 0.00 0.00 0.00 55.97 54.15 1nti s LYS 18 Cb 0.09 -4.41 0.00 0.00 0.00 0.00 0.00 37.83 33.51 1nti s LYS 18 CO 0.16 -1.34 0.00 -0.35 0.00 0.00 0.00 175.35 173.82 1nti n PRO 19 N 4.55 -0.43 -3.78 1.78 -0.04 -1.26 -5.05 135.00 130.78 1nti n PRO 19 Ca 0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 1nti n PRO 19 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.11 3.88 0.12 0.55 0.00 -1.26 -4.98 121.76 117.96 1nti s ALA 20 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1nti s ALA 20 Cb 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 1nti s ALA 20 CO 0.00 0.69 1.44 0.22 0.00 0.00 0.00 175.76 178.12 1nti h ASP 21 N 2.78 -1.67 -1.13 0.00 3.58 -1.98 0.41 116.42 118.41 1nti h ASP 21 Ca -0.46 0.24 0.32 0.00 0.42 0.00 0.00 57.03 57.55 1nti h ASP 21 Cb 1.17 0.71 -0.10 0.00 1.72 0.00 0.00 39.33 42.84 1nti h ASP 21 CO 0.73 -0.25 0.74 -0.33 -2.88 0.00 0.00 179.24 177.25 1nti h GLU 22 N -0.15 0.26 0.07 0.28 5.08 -1.97 0.36 114.58 118.51 1nti h GLU 22 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nti h GLU 22 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1nti h GLU 22 CO -0.64 0.17 -0.03 1.49 -1.00 0.00 0.00 179.01 179.00 1nti h GLU 23 N 0.27 -0.09 -0.98 2.33 4.57 -1.41 0.39 114.58 119.66 1nti h GLU 23 Ca 0.64 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 59.10 1nti h GLU 23 Cb 1.86 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 30.33 1nti h GLU 23 CO -0.28 0.48 0.53 0.52 -1.18 0.00 0.00 179.01 179.08 1nti h MET 24 N -0.85 0.43 -0.09 1.92 2.86 0.81 0.73 114.93 120.74 1nti h MET 24 Ca -0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1nti h MET 24 Cb 0.61 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1nti h MET 24 CO 0.02 0.28 -0.01 -0.07 1.06 0.00 0.00 176.91 178.19 1nti h LEU 25 N 0.44 0.17 0.19 1.22 3.38 -0.22 0.45 115.31 120.95 1nti h LEU 25 Ca 0.66 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1nti h LEU 25 Cb 1.36 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1nti h LEU 25 CO -0.54 0.48 -0.41 0.15 0.09 0.00 0.00 178.44 178.21 1nti h PHE 26 N -0.15 -1.13 0.00 1.13 3.04 0.47 0.20 116.94 120.50 1nti h PHE 26 Ca 0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1nti h PHE 26 Cb 0.40 0.47 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1nti h PHE 26 CO 0.05 -0.52 0.00 -0.89 -2.02 0.00 0.00 178.31 174.93 1nti n ILE 27 N -5.47 0.00 -0.09 1.41 -0.00 0.12 -0.98 119.36 114.35 1nti n ILE 27 Ca -0.08 0.89 -0.02 0.00 -0.00 0.00 0.00 62.75 63.55 1nti n ILE 27 Cb 0.38 -1.76 -0.01 0.00 -0.00 0.00 0.00 39.64 38.25 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 -0.49 -0.06 0.28 1.39 9.36 0.16 0.48 117.16 128.28 1nti n TYR 28 Ca 0.00 0.27 -0.16 0.00 3.32 0.00 0.00 57.90 61.32 1nti n TYR 28 Cb 0.00 -0.54 -0.08 0.00 -0.63 0.00 0.00 39.34 38.09 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 -0.86 0.35 2.98 4.64 -0.54 0.69 113.55 120.82 1nti h SER 29 Ca 0.05 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1nti h SER 29 Cb 0.10 0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1nti h SER 29 CO -0.20 -0.51 -0.13 0.45 -0.87 0.00 0.00 176.83 175.56 1nti h HIS 30 N -0.80 0.00 -0.07 4.77 3.86 0.12 0.04 115.15 123.07 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 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1nti h HIS 30 CO -0.12 0.13 -0.18 -0.92 0.86 0.00 0.00 177.93 177.70 1nti h TYR 31 N 0.00 0.32 -0.33 2.45 3.20 0.75 0.90 116.97 124.26 1nti h TYR 31 Ca -0.00 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 1nti h TYR 31 Cb 0.35 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1nti h TYR 31 CO 0.00 0.79 0.01 0.87 -1.64 0.00 0.00 178.16 178.19 1nti h LYS 32 N -0.24 0.58 -0.41 1.82 1.79 -0.22 -0.41 116.57 119.47 1nti h LYS 32 Ca -0.00 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1nti h LYS 32 Cb 0.79 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 1nti h LYS 32 CO 0.04 0.70 0.15 0.37 -1.08 0.00 0.00 179.45 179.63 1nti h GLN 33 N 0.39 0.63 -0.89 3.15 5.75 -1.03 0.70 115.11 123.81 1nti h GLN 33 Ca 0.10 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1nti h GLN 33 Cb 0.43 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 1nti h GLN 33 CO 0.02 0.61 0.58 0.00 -2.65 0.00 0.00 178.83 177.38 1nti h ALA 34 N 1.00 1.49 0.00 3.38 0.00 -0.65 -3.22 119.26 121.24 1nti h ALA 34 Ca 0.14 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 1nti h ALA 34 Cb 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1nti h ALA 34 CO -0.01 0.40 -1.85 0.25 0.00 0.00 0.00 179.25 178.05 1nti n THR 35 N -4.47 1.35 -0.04 0.00 -2.24 -0.18 -4.73 114.28 103.97 1nti n THR 35 Ca 0.13 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1nti n THR 35 Cb 0.15 -1.95 -0.13 0.00 -2.10 0.00 0.00 70.33 66.30 1nti n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nti h VAL 36 N -0.85 1.72 0.00 2.28 2.07 0.07 -3.51 116.25 118.04 1nti h VAL 36 Ca -0.41 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1nti h VAL 36 Cb 1.31 3.31 0.00 0.00 -1.52 0.00 0.00 31.29 34.39 1nti h VAL 36 CO -0.25 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1nti n GLY 37 N 1.59 0.44 3.77 2.17 0.00 0.49 -4.99 105.19 108.66 1nti n GLY 37 Ca -0.11 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 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 7.04 -0.50 1.61 1.01 -1.26 -3.58 116.67 116.98 1nti s ASP 38 Ca 0.00 2.20 -0.33 0.00 0.71 0.00 0.00 52.55 55.13 1nti s ASP 38 Cb 0.00 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.19 1nti s ASP 38 CO 0.00 -0.30 2.33 0.00 0.21 0.00 0.00 175.17 177.41 1nti n ILE 39 N 0.70 0.09 -1.64 0.77 3.06 -1.26 -4.72 119.36 116.35 1nti n ILE 39 Ca 0.01 -0.31 0.06 0.00 -2.50 0.00 0.00 62.75 60.00 1nti n ILE 39 Cb 0.46 -1.63 0.10 0.00 0.54 0.00 0.00 39.64 39.11 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 11.16 1.40 -4.22 9.51 0.23 -1.26 -5.01 115.26 127.07 1nti n ASN 40 Ca 0.45 -2.82 -0.32 0.00 -0.53 0.00 0.00 54.58 51.37 1nti n ASN 40 Cb 0.25 -0.37 -0.17 0.00 -2.08 0.00 0.00 39.78 37.41 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1nti s THR 41 N -1.78 2.02 -0.05 5.53 -4.23 -1.26 -5.07 115.64 110.80 1nti s THR 41 Ca 0.25 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1nti s THR 41 Cb 0.24 -1.75 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 1nti s THR 41 CO -0.03 0.55 0.12 -0.62 -0.54 0.00 0.00 174.62 174.11 1nti n GLU 42 N 3.46 0.00 -1.75 3.99 1.02 -1.26 -4.94 120.64 121.16 1nti n GLU 42 Ca -0.19 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 1nti n GLU 42 Cb 0.53 -0.07 -0.02 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.41 4.11 0.00 3.49 3.52 -1.26 -4.87 118.95 124.34 1nti s ARG 43 Ca 0.07 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1nti s ARG 43 Cb -0.06 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1nti s ARG 43 CO 0.02 -0.67 0.00 -2.30 -0.81 0.00 0.00 175.30 171.55 1nti n PRO 44 N 2.39 0.00 0.00 5.12 -0.02 -1.26 -4.74 135.00 136.48 1nti n PRO 44 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1nti n PRO 44 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 -0.71 0.78 0.00 -1.23 0.00 -1.26 -4.31 105.19 98.46 1nti n GLY 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.81 1.61 0.00 -1.26 -4.97 117.12 108.70 1nti n MET 46 Ca 0.00 0.07 -0.36 0.00 -0.00 0.00 0.00 57.70 57.41 1nti n MET 46 Cb 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 33.22 32.61 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 -4.80 4.39 0.00 -0.89 2.96 -1.26 -5.05 118.68 114.03 1nti s LEU 47 Ca 0.00 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1nti s LEU 47 Cb 0.00 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1nti s LEU 47 CO 0.00 0.33 0.00 0.47 -1.32 0.00 0.00 176.35 175.83 1nti n ASP 48 N 1.53 0.00 0.00 3.68 8.00 -1.26 -4.71 116.55 123.79 1nti n ASP 48 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1nti n ASP 48 Cb 0.54 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.33 0.00 0.21 1.24 3.01 -1.26 -0.91 117.46 117.41 1nti n PHE 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1nti n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.00 0.45 0.02 -1.08 5.02 -1.26 -2.15 118.16 119.16 1nti n LYS 50 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1nti n LYS 50 Cb 0.00 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1nti n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nti n GLY 51 N 1.14 -0.13 0.33 0.72 0.00 -1.08 -4.33 105.19 101.83 1nti n GLY 51 Ca 0.00 -0.06 0.22 0.00 0.00 0.00 0.00 46.02 46.19 1nti n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nti h LYS 52 N -0.17 0.13 0.00 1.61 3.64 -0.50 0.24 116.57 121.52 1nti h LYS 52 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nti h LYS 52 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nti h LYS 52 CO 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1nti n ALA 53 N -2.53 -0.29 -0.26 5.00 0.00 -1.23 -0.75 120.51 120.45 1nti n ALA 53 Ca 0.30 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.81 1nti n ALA 53 Cb 0.97 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.57 1nti n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nti n LYS 54 N -1.69 -0.06 0.47 0.00 4.76 -0.40 0.17 118.16 121.41 1nti n LYS 54 Ca 0.00 1.12 -0.19 0.00 -2.87 0.00 0.00 58.31 56.37 1nti n LYS 54 Cb 0.00 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 31.38 1nti n LYS 54 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1nti h TRP 55 N 0.00 -1.09 -0.97 2.13 7.01 -0.59 -0.58 115.95 121.85 1nti h TRP 55 Ca 0.38 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.40 1nti h TRP 55 Cb 0.67 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 28.04 1nti h TRP 55 CO -0.49 -0.68 0.63 -0.44 -2.79 0.00 0.00 178.44 174.67 1nti h ASP 56 N -1.21 1.05 -0.86 2.65 3.32 0.17 0.31 116.42 121.85 1nti h ASP 56 Ca -0.12 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.02 1nti h ASP 56 Cb 0.91 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.15 1nti h ASP 56 CO 0.20 0.71 0.50 0.00 -1.72 0.00 0.00 179.24 178.93 1nti h ALA 57 N 1.41 1.23 0.00 3.45 0.00 -0.09 0.16 119.26 125.41 1nti h ALA 57 Ca 0.39 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1nti h ALA 57 Cb 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nti h ALA 57 CO -0.13 0.14 -0.31 2.35 0.00 0.00 0.00 179.25 181.29 1nti h TRP 58 N 0.84 0.31 -0.93 0.00 7.01 0.37 -3.23 115.95 120.32 1nti h TRP 58 Ca 0.41 -0.17 0.23 0.00 2.11 0.00 0.00 58.89 61.47 1nti h TRP 58 Cb 0.36 -0.03 -0.17 0.00 -2.10 0.00 0.00 29.16 27.21 1nti h TRP 58 CO -0.05 0.98 -0.07 -0.97 -2.79 0.00 0.00 178.44 175.55 1nti h ASN 59 N -0.45 -0.59 -0.01 2.65 -1.24 0.84 0.28 115.58 117.05 1nti h ASN 59 Ca -0.04 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1nti h ASN 59 Cb 1.07 0.50 -0.00 0.00 0.73 0.00 0.00 38.32 40.61 1nti h ASN 59 CO 0.06 -0.31 0.76 -0.08 -1.29 0.00 0.00 177.43 176.58 1nti h GLU 60 N 0.02 0.00 -0.02 6.67 4.81 -0.76 0.77 114.58 126.08 1nti h GLU 60 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1nti h GLU 60 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1nti h GLU 60 CO -0.89 0.00 -0.26 1.28 -0.73 0.00 0.00 179.01 178.41 1nti n LEU 61 N -2.65 2.00 -4.60 1.64 4.77 0.98 -4.92 117.00 114.21 1nti n LEU 61 Ca -0.01 -0.68 -0.45 0.00 -0.03 0.00 0.00 56.01 54.84 1nti n LEU 61 Cb 0.78 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.81 1nti n LEU 61 CO 0.05 0.35 1.73 1.17 -1.33 0.00 0.00 177.39 179.36 1nti n LYS 62 N 0.21 2.01 0.00 3.23 4.81 0.26 -0.07 118.16 128.61 1nti n LYS 62 Ca 0.12 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1nti n LYS 62 Cb 0.46 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.58 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 5.41 1.84 3.59 3.14 0.00 -1.26 -5.07 105.19 112.85 1nti n GLY 63 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.14 4.90 0.84 2.61 2.01 0.90 -5.03 115.64 119.73 1nti s THR 64 Ca 0.00 0.82 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 1nti s THR 64 Cb 0.00 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.55 1nti s THR 64 CO 0.00 -0.21 1.08 -1.54 -0.69 0.00 0.00 174.62 173.26 1nti n SER 65 N 5.99 0.47 -0.33 3.53 3.41 -1.26 -4.66 113.62 120.76 1nti n SER 65 Ca -0.00 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1nti n SER 65 Cb 0.49 -1.46 0.32 0.00 -0.26 0.00 0.00 64.21 63.30 1nti n SER 65 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nti h LYS 66 N -1.16 0.79 0.06 4.33 1.57 -1.85 0.09 116.57 120.39 1nti h LYS 66 Ca -0.45 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1nti h LYS 66 Cb 1.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1nti h LYS 66 CO 0.44 0.52 -0.03 0.93 -0.57 0.00 0.00 179.45 180.74 1nti h GLU 67 N 0.81 -0.07 -0.53 3.15 5.08 -1.89 0.26 114.58 121.39 1nti h GLU 67 Ca 0.51 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.89 1nti h GLU 67 Cb 0.72 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1nti h GLU 67 CO -0.28 0.10 0.33 -0.44 -1.00 0.00 0.00 179.01 177.72 1nti h ASP 68 N -0.24 0.56 0.27 1.42 3.32 -1.48 0.28 116.42 120.55 1nti h ASP 68 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nti h ASP 68 Cb 0.21 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1nti h ASP 68 CO 0.01 0.40 -0.32 0.00 -1.72 0.00 0.00 179.24 177.61 1nti h ALA 69 N 1.22 -0.64 -0.23 3.45 0.00 -0.89 0.23 119.26 122.39 1nti h ALA 69 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1nti h ALA 69 Cb -0.03 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1nti h ALA 69 CO -0.07 -0.90 -0.54 0.52 0.00 0.00 0.00 179.25 178.26 1nti h MET 70 N -0.64 -0.50 -0.06 0.00 2.86 0.60 0.27 114.93 117.47 1nti h MET 70 Ca -0.00 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1nti h MET 70 Cb 0.60 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1nti h MET 70 CO -0.09 -0.33 -0.06 0.87 1.06 0.00 0.00 176.91 178.35 1nti h LYS 71 N -0.52 -0.03 -0.60 1.72 1.57 0.17 0.24 116.57 119.11 1nti h LYS 71 Ca 0.05 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1nti h LYS 71 Cb 0.65 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.91 1nti h LYS 71 CO -0.49 -0.02 0.30 0.00 -0.57 0.00 0.00 179.45 178.67 1nti h ALA 72 N -1.09 0.80 0.11 3.86 0.00 -0.47 0.51 119.26 122.97 1nti h ALA 72 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nti h ALA 72 Cb 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1nti h ALA 72 CO -0.07 -0.07 -0.28 -0.92 0.00 0.00 0.00 179.25 177.92 1nti h TYR 73 N 0.55 -0.74 0.56 0.00 5.03 0.04 0.16 116.97 122.56 1nti h TYR 73 Ca 0.28 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 1nti h TYR 73 Cb 0.23 0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1nti h TYR 73 CO -0.11 -0.38 -0.29 0.82 -1.32 0.00 0.00 178.16 176.88 1nti h ILE 74 N -0.48 0.41 -0.90 1.81 2.04 -0.18 0.11 117.51 120.33 1nti h ILE 74 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1nti h ILE 74 Cb 0.52 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 1nti h ILE 74 CO -0.17 0.00 0.52 0.44 0.00 0.00 0.00 178.15 178.94 1nti h ASP 75 N -0.77 0.71 -0.53 1.72 3.32 -0.73 0.37 116.42 120.51 1nti h ASP 75 Ca -0.07 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1nti h ASP 75 Cb 0.60 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1nti h ASP 75 CO 0.11 0.35 0.02 0.11 -1.72 0.00 0.00 179.24 178.11 1nti h LYS 76 N 0.79 0.92 -0.28 3.56 1.79 -0.23 0.13 116.57 123.25 1nti h LYS 76 Ca 0.46 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1nti h LYS 76 Cb 0.54 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1nti h LYS 76 CO -0.30 0.93 0.18 0.28 -1.08 0.00 0.00 179.45 179.45 1nti h VAL 77 N 0.79 1.08 -0.86 0.50 2.07 0.20 0.13 116.25 120.17 1nti h VAL 77 Ca 0.15 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1nti h VAL 77 Cb 0.50 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 30.83 1nti h VAL 77 CO 0.02 0.08 -0.38 -0.08 0.02 0.00 0.00 177.57 177.23 1nti h GLU 78 N 0.37 -0.06 0.54 1.57 4.22 0.37 0.65 114.58 122.24 1nti h GLU 78 Ca 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 1nti h GLU 78 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1nti h GLU 78 CO -0.02 -0.04 -0.47 0.93 -2.18 0.00 0.00 179.01 177.23 1nti h GLU 79 N -0.06 -0.96 -0.14 1.92 5.08 0.33 -1.53 114.58 119.22 1nti h GLU 79 Ca 0.30 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1nti h GLU 79 Cb 0.58 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1nti h GLU 79 CO -0.88 -0.64 0.12 -0.07 -1.00 0.00 0.00 179.01 176.54 1nti h LEU 80 N -1.00 0.00 0.01 1.33 3.38 0.11 0.22 115.31 119.35 1nti h LEU 80 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nti h LEU 80 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1nti h LEU 80 CO -0.02 0.00 -0.00 0.50 0.09 0.00 0.00 178.44 179.00 1nti h LYS 81 N 0.00 -0.01 0.00 1.13 1.63 0.59 0.52 116.57 120.43 1nti h LYS 81 Ca 0.07 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 1nti h LYS 81 Cb 0.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1nti h LYS 81 CO -0.00 0.68 -0.43 0.87 -3.45 0.00 0.00 179.45 177.11 1nti h LYS 82 N -0.70 0.00 0.09 1.90 1.57 -0.84 0.36 116.57 118.96 1nti h LYS 82 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1nti h LYS 82 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1nti h LYS 82 CO 0.00 0.43 -1.81 1.17 -0.57 0.00 0.00 179.45 178.67 1nti n LYS 83 N -3.54 0.71 -0.09 3.15 3.00 0.72 -4.59 118.16 117.52 1nti n LYS 83 Ca -0.00 0.35 -0.10 0.00 -0.00 0.00 0.00 58.31 58.55 1nti n LYS 83 Cb 0.55 -1.72 -0.16 0.00 0.00 0.00 0.00 35.03 33.71 1nti n LYS 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1nti n TYR 84 N -3.75 0.15 0.00 5.64 4.01 0.18 -5.05 117.16 118.34 1nti n TYR 84 Ca -0.32 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1nti n TYR 84 Cb 0.95 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 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 1.74 0.92 0.00 2.72 0.00 0.13 -4.41 105.19 106.29 1nti n GLY 85 Ca -0.31 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.40 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83