#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 -0.38 -1.46 -0.06 -1.26 -4.97 117.38 109.25 1nti n GLN 2 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1nti n GLN 2 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti h ALA 3 N 0.00 -0.41 -0.25 1.69 0.00 -2.05 0.18 119.26 118.43 1nti h ALA 3 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 3 Cb 0.00 1.26 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nti h ALA 3 CO 0.00 -0.90 0.00 0.39 0.00 0.00 0.00 179.25 178.74 1nti n GLU 4 N -5.31 0.00 -0.21 0.00 -0.58 -1.26 -0.71 120.64 112.57 1nti n GLU 4 Ca 0.03 0.46 -0.01 0.00 -0.42 0.00 0.00 57.16 57.22 1nti n GLU 4 Cb 0.30 -1.46 0.01 0.00 -0.57 0.00 0.00 31.44 29.73 1nti n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1nti n PHE 5 N -1.88 -0.01 0.04 -0.32 -0.00 -0.96 0.28 117.46 114.62 1nti n PHE 5 Ca 0.00 0.66 -0.11 0.00 -0.00 0.00 0.00 57.45 58.00 1nti n PHE 5 Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 39.48 38.76 1nti n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1nti h ASP 6 N 0.00 -0.48 -0.94 -2.13 3.32 -0.54 0.45 116.42 116.11 1nti h ASP 6 Ca 0.17 0.07 0.21 0.00 0.02 0.00 0.00 57.03 57.51 1nti h ASP 6 Cb 0.31 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 1nti h ASP 6 CO -0.53 -0.22 0.61 0.50 -1.72 0.00 0.00 179.24 177.89 1nti h LYS 7 N -0.25 0.42 0.33 3.56 1.63 0.64 0.41 116.57 123.31 1nti h LYS 7 Ca 0.06 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1nti h LYS 7 Cb 0.33 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1nti h LYS 7 CO -0.18 0.28 -0.16 0.00 -3.45 0.00 0.00 179.45 175.94 1nti h ALA 8 N 1.61 -0.44 -1.00 5.00 0.00 0.41 0.29 119.26 125.13 1nti h ALA 8 Ca 0.50 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.51 1nti h ALA 8 Cb 1.21 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1nti h ALA 8 CO -0.21 -0.49 0.59 0.00 0.00 0.00 0.00 179.25 179.14 1nti h ALA 9 N -0.64 1.87 0.01 0.00 0.00 0.80 0.30 119.26 121.59 1nti h ALA 9 Ca -0.05 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nti h ALA 9 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nti h ALA 9 CO 0.07 -0.40 -0.00 1.49 0.00 0.00 0.00 179.25 180.41 1nti h GLU 10 N 0.47 -0.01 -0.77 0.00 4.81 -0.15 -1.49 114.58 117.45 1nti h GLU 10 Ca 0.68 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.92 1nti h GLU 10 Cb 1.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1nti h GLU 10 CO -0.53 0.73 0.51 0.93 -0.73 0.00 0.00 179.01 179.91 1nti h GLU 11 N -0.75 1.00 0.28 1.92 5.08 0.14 -1.68 114.58 120.57 1nti h GLU 11 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1nti h GLU 11 Cb 0.74 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nti h GLU 11 CO 0.00 0.66 -0.14 -0.24 -1.00 0.00 0.00 179.01 178.30 1nti h VAL 12 N 1.03 0.75 0.00 3.13 3.04 -0.57 0.47 116.25 124.10 1nti h VAL 12 Ca 0.28 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1nti h VAL 12 Cb -0.11 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1nti h VAL 12 CO -0.07 0.05 0.00 2.29 -1.01 0.00 0.00 177.57 178.83 1nti n LYS 13 N -5.21 0.07 -0.10 4.17 2.85 -0.56 -1.08 118.16 118.30 1nti n LYS 13 Ca -0.10 0.20 0.04 0.00 -1.05 0.00 0.00 58.31 57.40 1nti n LYS 13 Cb 0.20 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.18 1nti n LYS 13 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1nti n HIS 14 N -1.23 0.27 -2.00 5.58 -0.00 0.03 -5.03 115.22 112.84 1nti n HIS 14 Ca 0.02 -0.36 -0.40 0.00 -0.00 0.00 0.00 57.72 56.99 1nti n HIS 14 Cb 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.93 4.22 0.35 0.27 1.43 -0.24 -4.84 118.68 118.94 1nti s LEU 15 Ca 0.16 2.73 0.19 0.00 -1.03 0.00 0.00 54.13 56.18 1nti s LEU 15 Cb 0.09 -3.87 0.38 0.00 0.03 0.00 0.00 46.19 42.82 1nti s LEU 15 CO 0.12 -0.89 1.59 0.11 0.23 0.00 0.00 176.35 177.52 1nti h LYS 16 N 2.69 0.00 -6.24 1.70 1.57 -1.69 -3.45 116.57 111.15 1nti h LYS 16 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.81 1nti h LYS 16 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1nti h LYS 16 CO 0.63 0.35 -0.37 0.99 -0.57 0.00 0.00 179.45 180.47 1nti s THR 17 N -3.22 3.12 -0.35 -0.16 2.01 -0.61 -4.88 115.64 111.54 1nti s THR 17 Ca 0.03 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.63 1nti s THR 17 Cb 0.08 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1nti s THR 17 CO 0.70 -0.07 0.35 -0.54 -0.69 0.00 0.00 174.62 174.38 1nti s LYS 18 N -4.14 3.49 0.06 4.92 1.02 -1.26 -4.88 119.74 118.95 1nti s LYS 18 Ca 0.47 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 1nti s LYS 18 Cb -0.06 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 1nti s LYS 18 CO 0.29 -0.55 0.08 -0.35 -0.92 0.00 0.00 175.35 173.89 1nti n PRO 19 N 5.36 -0.17 -3.26 -1.68 -0.04 -1.26 -5.05 135.00 128.90 1nti n PRO 19 Ca -0.09 -0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 62.89 1nti n PRO 19 Cb 0.49 -0.08 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 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 -3.91 3.51 0.17 0.55 0.00 -1.26 -4.93 121.76 115.89 1nti s ALA 20 Ca 0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1nti s ALA 20 Cb -0.00 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1nti s ALA 20 CO 0.03 0.41 1.56 0.22 0.00 0.00 0.00 175.76 177.98 1nti h ASP 21 N 3.42 -1.63 -0.99 0.00 1.82 -1.99 0.43 116.42 117.48 1nti h ASP 21 Ca -0.48 0.27 0.25 0.00 -0.39 0.00 0.00 57.03 56.68 1nti h ASP 21 Cb 1.19 0.75 -0.13 0.00 0.68 0.00 0.00 39.33 41.82 1nti h ASP 21 CO 0.66 -0.31 0.56 -0.33 -1.61 0.00 0.00 179.24 178.20 1nti h GLU 22 N -0.16 0.52 -0.05 0.28 4.39 -1.98 0.20 114.58 117.77 1nti h GLU 22 Ca 0.20 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1nti h GLU 22 Cb 0.54 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1nti h GLU 22 CO -0.77 0.34 -0.01 0.93 -1.16 0.00 0.00 179.01 178.34 1nti h GLU 23 N 0.54 0.10 -0.68 2.33 5.08 -0.62 0.30 114.58 121.63 1nti h GLU 23 Ca 0.64 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 59.11 1nti h GLU 23 Cb 1.24 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 1nti h GLU 23 CO -0.49 0.44 0.02 0.52 -1.00 0.00 0.00 179.01 178.50 1nti h MET 24 N -0.25 0.12 -0.46 2.33 2.86 0.10 0.28 114.93 119.91 1nti h MET 24 Ca 0.01 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1nti h MET 24 Cb 0.41 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1nti h MET 24 CO 0.01 0.08 0.10 -0.07 1.06 0.00 0.00 176.91 178.08 1nti h LEU 25 N 0.12 0.72 0.11 1.22 3.38 -0.53 0.40 115.31 120.73 1nti h LEU 25 Ca 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nti h LEU 25 Cb 0.61 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1nti h LEU 25 CO -0.58 0.78 -0.05 0.15 0.09 0.00 0.00 178.44 178.83 1nti h PHE 26 N 0.63 -0.13 0.00 1.13 3.04 0.19 0.21 116.94 122.00 1nti h PHE 26 Ca 0.14 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1nti h PHE 26 Cb 0.35 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1nti h PHE 26 CO 0.02 -0.07 0.00 -0.89 -2.02 0.00 0.00 178.31 175.35 1nti n ILE 27 N -5.14 0.00 -0.06 1.41 -0.00 0.77 -0.69 119.36 115.65 1nti n ILE 27 Ca -0.08 1.07 -0.01 0.00 -0.00 0.00 0.00 62.75 63.72 1nti n ILE 27 Cb 0.09 -1.94 -0.01 0.00 -0.00 0.00 0.00 39.64 37.78 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 -0.84 -0.05 0.31 1.39 9.36 0.14 0.09 117.16 127.55 1nti n TYR 28 Ca 0.00 0.19 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 1nti n TYR 28 Cb 0.00 -0.52 -0.06 0.00 -0.63 0.00 0.00 39.34 38.13 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 -0.66 -0.79 2.98 4.64 -0.39 0.37 113.55 119.70 1nti h SER 29 Ca 0.03 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1nti h SER 29 Cb 0.07 0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1nti h SER 29 CO -0.14 -0.45 0.52 0.45 -0.87 0.00 0.00 176.83 176.33 1nti h HIS 30 N -0.83 0.79 -0.14 4.77 3.86 0.64 0.62 115.15 124.85 1nti h HIS 30 Ca -0.08 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1nti h HIS 30 Cb 0.60 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1nti h HIS 30 CO 0.08 0.38 -0.07 -0.92 0.86 0.00 0.00 177.93 178.26 1nti h TYR 31 N 0.75 0.34 0.69 2.45 5.03 -0.31 0.15 116.97 126.07 1nti h TYR 31 Ca 0.36 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 1nti h TYR 31 Cb 0.41 -0.08 0.01 0.00 1.55 0.00 0.00 36.73 38.62 1nti h TYR 31 CO -0.00 0.62 -0.33 0.87 -1.32 0.00 0.00 178.16 178.00 1nti h LYS 32 N -0.03 -0.90 -0.99 1.82 1.79 0.04 0.14 116.57 118.44 1nti h LYS 32 Ca 0.03 0.06 0.16 0.00 -2.18 0.00 0.00 60.65 58.73 1nti h LYS 32 Cb 0.53 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.29 1nti h LYS 32 CO 0.02 -0.57 0.62 0.37 -1.08 0.00 0.00 179.45 178.80 1nti h GLN 33 N -1.05 0.79 -0.08 3.15 5.75 -0.91 0.41 115.11 123.17 1nti h GLN 33 Ca -0.10 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.21 1nti h GLN 33 Cb 0.74 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1nti h GLN 33 CO 0.16 0.52 -0.58 0.00 -2.65 0.00 0.00 178.83 176.28 1nti h ALA 34 N 1.60 0.86 0.00 3.38 0.00 -0.48 -3.13 119.26 121.49 1nti h ALA 34 Ca 0.53 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1nti h ALA 34 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nti h ALA 34 CO -0.31 0.71 -1.74 0.25 0.00 0.00 0.00 179.25 178.16 1nti n THR 35 N -3.89 0.74 -0.00 0.00 -2.24 0.48 -4.76 114.28 104.61 1nti n THR 35 Ca -0.02 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1nti n THR 35 Cb 0.60 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.15 0.81 0.00 2.28 2.07 -0.49 -3.51 116.25 117.26 1nti h VAL 36 Ca -0.31 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.62 1nti h VAL 36 Cb 1.40 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1nti h VAL 36 CO -0.10 0.67 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1nti n GLY 37 N 1.72 -0.25 3.35 2.17 0.00 0.53 -4.89 105.19 107.81 1nti n GLY 37 Ca -0.22 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.63 -4.54 1.61 9.92 -1.18 -3.40 116.55 116.33 1nti n ASP 38 Ca 0.00 0.27 -0.30 0.00 -0.53 0.00 0.00 54.79 54.23 1nti n ASP 38 Cb 0.00 -1.12 -0.07 0.00 -0.64 0.00 0.00 41.12 39.29 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 -3.53 -0.05 -1.85 0.53 3.06 -1.26 -4.67 119.36 111.59 1nti n ILE 39 Ca 0.05 -0.60 -0.38 0.00 -2.50 0.00 0.00 62.75 59.32 1nti n ILE 39 Cb 0.55 -2.09 0.02 0.00 0.54 0.00 0.00 39.64 38.66 1nti n ILE 39 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1nti n ASN 40 N 15.24 7.37 -3.64 9.51 5.15 -1.26 -4.62 115.26 143.01 1nti n ASN 40 Ca 0.46 -3.74 -0.09 0.00 -0.60 0.00 0.00 54.58 50.61 1nti n ASN 40 Cb 0.42 -1.10 -0.07 0.00 -0.53 0.00 0.00 39.78 38.50 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1nti s THR 41 N -4.63 0.00 0.39 -0.44 -4.23 -1.26 -5.14 115.64 100.33 1nti s THR 41 Ca 0.53 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1nti s THR 41 Cb 0.43 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 73.22 1nti s THR 41 CO -0.39 0.00 0.69 -1.61 -0.54 0.00 0.00 174.62 172.77 1nti s GLU 42 N 1.11 3.65 0.10 3.99 8.01 -1.26 -5.02 118.70 129.28 1nti s GLU 42 Ca -0.06 0.19 -0.31 0.00 0.01 0.00 0.00 54.97 54.80 1nti s GLU 42 Cb -0.05 -2.48 -0.07 0.00 -4.31 0.00 0.00 34.13 27.21 1nti s GLU 42 CO -0.12 0.01 1.36 0.50 0.01 0.00 0.00 175.26 177.02 1nti s ARG 43 N -4.05 4.33 0.00 1.61 3.52 -1.26 -4.84 118.95 118.27 1nti s ARG 43 Ca 0.47 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 1nti s ARG 43 Cb -0.10 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1nti s ARG 43 CO 0.35 -0.42 0.00 -2.30 -0.81 0.00 0.00 175.30 172.12 1nti n PRO 44 N 4.04 0.00 0.00 5.12 -0.02 -1.26 -4.73 135.00 138.15 1nti n PRO 44 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1nti n PRO 44 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 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 -0.72 2.37 0.06 -1.23 0.00 -1.26 -4.63 105.19 99.78 1nti n GLY 45 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 0.26 -3.86 1.61 2.81 -1.26 -5.05 117.12 111.63 1nti n MET 46 Ca 0.00 0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.67 1nti n MET 46 Cb 0.00 -0.94 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 1nti n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nti s LEU 47 N -6.42 4.35 -0.01 4.03 1.43 -1.26 -5.13 118.68 115.68 1nti s LEU 47 Ca -0.14 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1nti s LEU 47 Cb 0.02 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1nti s LEU 47 CO 0.21 0.19 -0.22 -1.81 0.23 0.00 0.00 176.35 174.95 1nti s ASP 48 N -2.22 2.63 0.00 2.29 1.11 -1.26 -4.65 116.67 114.57 1nti s ASP 48 Ca 0.32 -0.42 0.00 0.00 0.18 0.00 0.00 52.55 52.64 1nti s ASP 48 Cb -0.13 -0.29 0.00 0.00 1.07 0.00 0.00 42.92 43.58 1nti s ASP 48 CO 0.23 0.27 0.00 2.22 1.18 0.00 0.00 175.17 179.07 1nti n PHE 49 N 2.46 0.00 -0.49 4.23 -1.74 -1.26 -4.81 117.46 115.85 1nti n PHE 49 Ca -0.16 0.00 0.39 0.00 -0.56 0.00 0.00 57.45 57.13 1nti n PHE 49 Cb 0.52 0.00 0.63 0.00 1.52 0.00 0.00 39.48 42.15 1nti n PHE 49 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1nti n LYS 50 N 0.00 -0.02 0.04 3.97 5.02 -1.26 -0.10 118.16 125.82 1nti n LYS 50 Ca 0.00 0.99 -0.02 0.00 -2.02 0.00 0.00 58.31 57.26 1nti n LYS 50 Cb 0.00 -2.10 -0.01 0.00 -0.02 0.00 0.00 35.03 32.90 1nti n LYS 50 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1nti h GLY 51 N 0.00 -0.13 -0.98 0.72 0.00 -1.94 -0.87 103.07 99.86 1nti h GLY 51 Ca 0.77 0.05 0.29 0.00 0.00 0.00 0.00 47.33 48.44 1nti h GLY 51 CO -0.22 -0.05 0.08 1.17 0.00 0.00 0.00 176.54 177.52 1nti n LYS 52 N -2.74 -0.08 0.00 4.80 4.81 0.86 -0.08 118.16 125.73 1nti n LYS 52 Ca -0.02 1.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.89 1nti n LYS 52 Cb 0.05 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nti n ALA 53 N -3.07 -0.30 -0.33 3.14 0.00 0.49 0.11 120.51 120.55 1nti n ALA 53 Ca 0.25 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.89 1nti n ALA 53 Cb 0.82 0.05 0.42 0.00 0.00 0.00 0.00 19.45 20.74 1nti n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nti h LYS 54 N 0.00 0.31 0.48 0.00 6.56 0.34 0.26 116.57 124.52 1nti h LYS 54 Ca 0.00 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1nti h LYS 54 Cb 0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1nti h LYS 54 CO 0.00 0.21 -0.23 2.35 -2.06 0.00 0.00 179.45 179.71 1nti h TRP 55 N 0.32 -0.60 -0.62 -1.35 7.01 -0.24 -0.55 115.95 119.91 1nti h TRP 55 Ca 0.68 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.79 1nti h TRP 55 Cb 1.49 0.20 -0.10 0.00 -2.10 0.00 0.00 29.16 28.65 1nti h TRP 55 CO -0.07 -0.37 0.08 -0.44 -2.79 0.00 0.00 178.44 174.84 1nti h ASP 56 N -0.78 -0.11 -0.88 2.65 5.19 0.23 0.37 116.42 123.09 1nti h ASP 56 Ca -0.07 0.13 0.14 0.00 -0.62 0.00 0.00 57.03 56.61 1nti h ASP 56 Cb 0.50 0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.15 1nti h ASP 56 CO 0.11 -0.05 0.57 0.00 -3.12 0.00 0.00 179.24 176.75 1nti h ALA 57 N 1.53 1.81 0.07 3.45 0.00 -0.41 0.14 119.26 125.85 1nti h ALA 57 Ca 0.33 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.98 1nti h ALA 57 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nti h ALA 57 CO -0.47 -0.04 -1.45 2.35 0.00 0.00 0.00 179.25 179.65 1nti h TRP 58 N 0.71 0.26 -0.75 0.00 7.01 0.50 -3.36 115.95 120.32 1nti h TRP 58 Ca 0.44 -0.19 0.17 0.00 2.11 0.00 0.00 58.89 61.42 1nti h TRP 58 Cb 0.67 -0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 27.59 1nti h TRP 58 CO -0.00 1.57 0.07 -0.97 -2.79 0.00 0.00 178.44 176.32 1nti h ASN 59 N -0.52 -0.22 -1.37 2.65 -1.24 0.03 0.44 115.58 115.36 1nti h ASN 59 Ca -0.34 0.18 0.40 0.00 0.71 0.00 0.00 56.30 57.25 1nti h ASN 59 Cb 1.62 0.29 -0.07 0.00 0.73 0.00 0.00 38.32 40.89 1nti h ASN 59 CO -0.05 -0.14 0.96 -0.08 -1.29 0.00 0.00 177.43 176.84 1nti h GLU 60 N 0.15 0.05 0.00 6.67 4.57 -0.87 0.23 114.58 125.38 1nti h GLU 60 Ca 0.42 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1nti h GLU 60 Cb 0.74 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1nti h GLU 60 CO -0.61 0.03 -1.73 1.28 -1.18 0.00 0.00 179.01 176.80 1nti n LEU 61 N -4.22 0.26 0.00 1.64 4.77 0.14 -4.85 117.00 114.74 1nti n LEU 61 Ca 0.31 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1nti n LEU 61 Cb 1.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.49 1nti n LEU 61 CO 0.38 0.06 0.00 1.17 -1.33 0.00 0.00 177.39 177.67 1nti n LYS 62 N -2.05 0.00 -0.00 3.23 4.81 0.80 -0.35 118.16 124.59 1nti n LYS 62 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1nti n LYS 62 Cb 0.50 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.56 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 -0.81 0.57 0.05 3.14 0.00 -1.26 -3.10 105.19 103.78 1nti n GLY 63 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.18 0.00 -3.08 2.61 -1.04 0.53 -4.98 114.28 108.15 1nti n THR 64 Ca 0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1nti n THR 64 Cb 0.13 -0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 1nti n THR 64 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nti s SER 65 N -1.42 6.28 -0.14 8.00 0.15 -1.26 -4.98 113.70 120.34 1nti s SER 65 Ca 0.00 0.65 -0.08 0.00 0.70 0.00 0.00 55.95 57.22 1nti s SER 65 Cb -0.00 -2.12 -0.25 0.00 -1.71 0.00 0.00 66.02 61.94 1nti s SER 65 CO 0.00 -0.41 0.31 2.29 1.20 0.00 0.00 173.24 176.64 1nti n LYS 66 N -1.96 0.73 -0.19 5.44 2.85 -1.26 -3.57 118.16 120.19 1nti n LYS 66 Ca -0.03 0.30 -0.07 0.00 -1.05 0.00 0.00 58.31 57.47 1nti n LYS 66 Cb 0.56 -1.70 0.03 0.00 -0.65 0.00 0.00 35.03 33.26 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 -0.09 0.75 -0.00 -1.58 4.39 -1.94 0.17 114.58 116.28 1nti h GLU 67 Ca -0.42 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1nti h GLU 67 Cb 1.93 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1nti h GLU 67 CO 0.03 0.53 0.00 -0.44 -1.16 0.00 0.00 179.01 177.98 1nti h ASP 68 N 0.75 0.00 -0.34 1.42 5.19 -1.98 0.13 116.42 121.60 1nti h ASP 68 Ca 0.20 -0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1nti h ASP 68 Cb -0.03 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.43 1nti h ASP 68 CO -0.04 0.11 0.05 0.00 -3.12 0.00 0.00 179.24 176.25 1nti h ALA 69 N 0.89 0.34 0.05 3.45 0.00 -1.57 0.26 119.26 122.68 1nti h ALA 69 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nti h ALA 69 Cb 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1nti h ALA 69 CO -0.00 -0.35 -0.44 0.52 0.00 0.00 0.00 179.25 178.98 1nti h MET 70 N 0.16 -0.60 0.15 0.00 2.86 -0.15 0.37 114.93 117.72 1nti h MET 70 Ca 0.16 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1nti h MET 70 Cb 0.19 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1nti h MET 70 CO -0.22 -0.40 -0.27 0.87 1.06 0.00 0.00 176.91 177.94 1nti h LYS 71 N -0.62 -0.44 -0.62 1.72 1.57 0.04 0.82 116.57 119.04 1nti h LYS 71 Ca 0.03 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 1nti h LYS 71 Cb 0.68 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.99 1nti h LYS 71 CO -0.30 -0.29 0.08 0.00 -0.57 0.00 0.00 179.45 178.37 1nti h ALA 72 N -1.14 0.70 0.36 3.86 0.00 -0.44 -0.86 119.26 121.73 1nti h ALA 72 Ca -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 72 Cb 0.43 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nti h ALA 72 CO -0.10 -0.35 -0.49 -0.92 0.00 0.00 0.00 179.25 177.39 1nti h TYR 73 N 0.20 -1.37 -0.46 0.00 3.20 0.04 0.23 116.97 118.80 1nti h TYR 73 Ca 0.33 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.32 1nti h TYR 73 Cb 0.53 0.55 -0.10 0.00 1.54 0.00 0.00 36.73 39.25 1nti h TYR 73 CO -0.30 -0.63 -0.20 0.82 -1.64 0.00 0.00 178.16 176.21 1nti h ILE 74 N -0.89 0.38 0.37 1.81 2.04 0.11 0.22 117.51 121.55 1nti h ILE 74 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1nti h ILE 74 Cb 0.81 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1nti h ILE 74 CO -0.14 0.00 -0.18 0.44 0.00 0.00 0.00 178.15 178.27 1nti h ASP 75 N -0.10 -0.42 -0.48 1.72 3.32 -0.78 0.30 116.42 119.98 1nti h ASP 75 Ca 0.22 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.35 1nti h ASP 75 Cb 0.45 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 1nti h ASP 75 CO -0.53 -0.26 -0.22 0.50 -1.72 0.00 0.00 179.24 177.01 1nti h LYS 76 N -0.55 -0.11 -0.12 3.56 3.11 0.19 0.18 116.57 122.83 1nti h LYS 76 Ca -0.05 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1nti h LYS 76 Cb 0.41 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1nti h LYS 76 CO 0.08 -0.08 0.05 0.28 -2.81 0.00 0.00 179.45 176.97 1nti h VAL 77 N -0.12 0.98 -0.85 2.00 2.07 -0.34 0.76 116.25 120.76 1nti h VAL 77 Ca 0.22 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.92 1nti h VAL 77 Cb 0.47 0.86 -0.14 0.00 -1.52 0.00 0.00 31.29 30.96 1nti h VAL 77 CO -0.55 0.02 0.21 -0.08 0.02 0.00 0.00 177.57 177.19 1nti h GLU 78 N 0.11 0.21 0.32 1.57 4.57 0.21 0.51 114.58 122.07 1nti h GLU 78 Ca 0.05 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1nti h GLU 78 Cb 0.02 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1nti h GLU 78 CO -0.04 0.14 -0.16 0.93 -1.18 0.00 0.00 179.01 178.70 1nti h GLU 79 N 0.21 -0.42 -1.19 1.92 5.08 0.32 -0.92 114.58 119.57 1nti h GLU 79 Ca 0.52 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.25 1nti h GLU 79 Cb 1.01 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1nti h GLU 79 CO -0.63 -0.10 0.81 -0.07 -1.00 0.00 0.00 179.01 178.01 1nti h LEU 80 N -0.77 0.23 0.07 1.33 3.38 0.15 0.56 115.31 120.26 1nti h LEU 80 Ca -0.04 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nti h LEU 80 Cb 0.51 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1nti h LEU 80 CO 0.07 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.07 1nti h LYS 81 N 0.18 -0.09 -0.26 1.13 3.64 0.21 0.44 116.57 121.82 1nti h LYS 81 Ca 0.65 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1nti h LYS 81 Cb 2.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.92 1nti h LYS 81 CO -0.21 0.34 0.16 0.87 -2.27 0.00 0.00 179.45 178.34 1nti h LYS 82 N -0.54 0.35 0.00 1.90 1.57 0.14 -1.22 116.57 118.77 1nti h LYS 82 Ca -0.01 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1nti h LYS 82 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1nti h LYS 82 CO 0.02 0.25 -0.68 -0.22 -0.57 0.00 0.00 179.45 178.25 1nti h LYS 83 N 0.36 0.00 0.00 3.15 1.63 -0.51 -3.44 116.57 117.77 1nti h LYS 83 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1nti h LYS 83 Cb -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1nti h LYS 83 CO -0.02 1.00 0.00 0.66 -3.45 0.00 0.00 179.45 177.64 1nti n TYR 84 N -4.51 0.00 0.01 1.91 4.01 0.15 -4.81 117.16 113.92 1nti n TYR 84 Ca -0.22 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1nti n TYR 84 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.06 2.11 0.00 2.72 0.00 -0.46 -1.58 105.19 107.92 1nti n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83