#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 -0.20 4.33 7.27 -1.26 -4.77 117.38 122.75 1nti n GLN 2 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1nti n GLN 2 Cb 0.00 -0.28 0.05 0.00 2.41 0.00 0.00 30.24 32.42 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nti h ALA 3 N 0.00 0.36 -0.90 1.69 0.00 -2.03 0.37 119.26 118.76 1nti h ALA 3 Ca 0.00 0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.37 1nti h ALA 3 Cb 0.56 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1nti h ALA 3 CO 0.00 -0.45 0.62 0.93 0.00 0.00 0.00 179.25 180.34 1nti h GLU 4 N -0.02 0.21 0.00 0.00 3.07 -1.98 0.31 114.58 116.18 1nti h GLU 4 Ca 0.29 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1nti h GLU 4 Cb 0.46 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1nti h GLU 4 CO -0.63 0.14 -0.34 0.35 -1.40 0.00 0.00 179.01 177.13 1nti h PHE 5 N 0.22 0.00 -0.38 4.33 3.57 -0.70 0.39 116.94 124.37 1nti h PHE 5 Ca 0.45 0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.03 1nti h PHE 5 Cb 1.42 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.08 1nti h PHE 5 CO -0.00 0.96 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.44 1nti h ASP 6 N -1.00 -0.57 0.01 0.41 3.32 -0.11 0.33 116.42 118.82 1nti h ASP 6 Ca -0.09 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1nti h ASP 6 Cb 0.94 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1nti h ASP 6 CO -0.05 -0.20 -0.47 0.50 -1.72 0.00 0.00 179.24 177.30 1nti h LYS 7 N -0.09 -0.60 -0.76 3.56 3.64 -0.51 0.50 116.57 122.29 1nti h LYS 7 Ca 0.19 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.77 1nti h LYS 7 Cb 0.38 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1nti h LYS 7 CO -0.44 -0.40 0.27 0.00 -2.27 0.00 0.00 179.45 176.60 1nti h ALA 8 N -0.20 1.06 -0.60 5.00 0.00 0.15 0.18 119.26 124.85 1nti h ALA 8 Ca 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 8 Cb 0.69 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1nti h ALA 8 CO -0.33 -0.27 0.25 0.00 0.00 0.00 0.00 179.25 178.89 1nti h ALA 9 N 1.59 0.78 -0.18 0.00 0.00 0.17 0.25 119.26 121.87 1nti h ALA 9 Ca 0.43 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1nti h ALA 9 Cb 0.71 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nti h ALA 9 CO -0.46 0.38 -0.70 1.49 0.00 0.00 0.00 179.25 179.97 1nti h GLU 10 N 0.83 0.79 -0.17 0.00 4.57 0.77 -1.80 114.58 119.56 1nti h GLU 10 Ca 0.20 -0.61 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1nti h GLU 10 Cb 0.19 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1nti h GLU 10 CO -0.02 1.22 0.04 0.93 -1.18 0.00 0.00 179.01 180.00 1nti h GLU 11 N 0.53 0.28 -0.47 1.92 5.08 -0.53 -2.60 114.58 118.79 1nti h GLU 11 Ca -0.04 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1nti h GLU 11 Cb 1.32 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 1nti h GLU 11 CO 0.15 0.42 0.03 -0.24 -1.00 0.00 0.00 179.01 178.37 1nti h VAL 12 N 0.08 0.67 0.00 3.13 3.04 -0.40 0.46 116.25 123.22 1nti h VAL 12 Ca 0.05 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1nti h VAL 12 Cb 0.27 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1nti h VAL 12 CO 0.00 0.03 0.14 0.29 -1.01 0.00 0.00 177.57 177.02 1nti n LYS 13 N -5.19 0.00 -0.29 4.17 4.76 -0.69 -1.26 118.16 119.67 1nti n LYS 13 Ca 0.05 0.24 0.04 0.00 -2.87 0.00 0.00 58.31 55.77 1nti n LYS 13 Cb 0.24 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.19 0.00 -1.38 2.13 8.25 0.16 -5.09 115.22 118.10 1nti n HIS 14 Ca 0.00 -0.45 -0.35 0.00 -0.26 0.00 0.00 57.72 56.65 1nti n HIS 14 Cb 0.14 -0.09 0.09 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.65 4.43 0.08 2.41 4.77 -0.39 -4.83 117.00 122.82 1nti n LEU 15 Ca 0.07 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 1nti n LEU 15 Cb 0.66 -1.48 0.36 0.00 -2.33 0.00 0.00 43.42 40.63 1nti n LEU 15 CO 0.00 -1.67 0.74 1.17 -1.33 0.00 0.00 177.39 176.31 1nti n LYS 16 N -2.29 0.09 -4.18 3.23 4.81 0.46 -4.73 118.16 115.54 1nti n LYS 16 Ca 0.14 0.44 -0.12 0.00 -0.87 0.00 0.00 58.31 57.90 1nti n LYS 16 Cb 0.49 -1.71 -0.09 0.00 0.02 0.00 0.00 35.03 33.74 1nti n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1nti s THR 17 N -3.22 0.00 -0.30 3.15 2.01 -1.26 -5.06 115.64 110.96 1nti s THR 17 Ca 0.03 -1.93 -0.14 0.00 0.31 0.00 0.00 61.69 59.96 1nti s THR 17 Cb 0.07 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1nti s THR 17 CO 0.23 0.00 0.30 -0.54 -0.69 0.00 0.00 174.62 173.92 1nti s LYS 18 N -4.09 3.82 0.84 4.92 3.01 -1.26 -5.03 119.74 121.95 1nti s LYS 18 Ca 0.37 -0.27 -0.12 0.00 -1.01 0.00 0.00 55.97 54.94 1nti s LYS 18 Cb 0.06 -3.71 0.10 0.00 -1.01 0.00 0.00 37.83 33.26 1nti s LYS 18 CO 0.13 -0.33 1.11 -1.25 0.51 0.00 0.00 175.35 175.52 1nti s PRO 19 N 1.92 1.71 0.78 -1.68 0.04 -1.26 -5.01 135.00 131.51 1nti s PRO 19 Ca 0.11 0.50 -0.13 0.00 0.04 0.00 0.00 61.00 61.52 1nti s PRO 19 Cb -0.16 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.56 1nti s PRO 19 CO 0.11 -1.85 1.15 0.00 0.04 0.00 0.00 177.00 176.45 1nti s ALA 20 N -3.21 2.00 0.27 8.56 0.00 -1.26 -4.64 121.76 123.48 1nti s ALA 20 Ca 0.62 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 1nti s ALA 20 Cb -0.14 -3.41 0.58 0.00 0.00 0.00 0.00 23.12 20.15 1nti s ALA 20 CO 0.54 -2.04 1.66 0.22 0.00 0.00 0.00 175.76 176.14 1nti h ASP 21 N -0.88 -0.03 -0.76 0.00 3.58 -1.99 0.21 116.42 116.56 1nti h ASP 21 Ca -0.45 0.18 0.11 0.00 0.42 0.00 0.00 57.03 57.28 1nti h ASP 21 Cb 1.27 0.25 -0.08 0.00 1.72 0.00 0.00 39.33 42.49 1nti h ASP 21 CO 0.48 -0.11 0.38 -0.33 -2.88 0.00 0.00 179.24 176.79 1nti h GLU 22 N 0.23 0.60 -0.14 0.28 3.07 -1.98 0.40 114.58 117.04 1nti h GLU 22 Ca 0.48 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.29 1nti h GLU 22 Cb 0.91 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1nti h GLU 22 CO -0.60 0.40 0.02 0.93 -1.40 0.00 0.00 179.01 178.36 1nti h GLU 23 N 0.62 0.23 -0.56 2.33 5.08 -0.99 0.63 114.58 121.92 1nti h GLU 23 Ca 0.39 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.78 1nti h GLU 23 Cb 0.45 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1nti h GLU 23 CO -0.30 0.42 0.12 0.52 -1.00 0.00 0.00 179.01 178.77 1nti h MET 24 N 0.00 0.25 0.36 2.33 2.86 0.37 -1.39 114.93 119.71 1nti h MET 24 Ca 0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1nti h MET 24 Cb 0.31 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1nti h MET 24 CO 0.00 0.16 -0.34 -0.07 1.06 0.00 0.00 176.91 177.73 1nti h LEU 25 N 0.25 -0.90 -0.17 1.22 3.38 0.13 0.43 115.31 119.65 1nti h LEU 25 Ca 0.29 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.39 1nti h LEU 25 Cb 0.41 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1nti h LEU 25 CO -0.37 -0.48 -0.33 0.15 0.09 0.00 0.00 178.44 177.51 1nti h PHE 26 N -0.71 -0.90 0.00 1.13 3.04 -0.53 0.05 116.94 119.02 1nti h PHE 26 Ca -0.02 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1nti h PHE 26 Cb 0.64 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1nti h PHE 26 CO -0.19 -0.40 0.00 -0.89 -2.02 0.00 0.00 178.31 174.81 1nti n ILE 27 N -5.41 0.00 -0.04 1.41 -0.00 -0.55 -0.99 119.36 113.77 1nti n ILE 27 Ca -0.03 0.97 -0.01 0.00 -0.00 0.00 0.00 62.75 63.68 1nti n ILE 27 Cb 0.33 -1.85 -0.01 0.00 -0.00 0.00 0.00 39.64 38.11 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 -0.57 -0.04 0.02 1.39 9.36 0.15 0.37 117.16 127.84 1nti n TYR 28 Ca 0.00 0.12 -0.10 0.00 3.32 0.00 0.00 57.90 61.24 1nti n TYR 28 Cb 0.00 -0.39 -0.05 0.00 -0.63 0.00 0.00 39.34 38.28 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 -0.23 0.82 2.98 4.64 -0.96 0.01 113.55 120.81 1nti h SER 29 Ca 0.02 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1nti h SER 29 Cb 0.04 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1nti h SER 29 CO -0.09 -0.11 -0.34 0.45 -0.87 0.00 0.00 176.83 175.87 1nti h HIS 30 N -0.10 0.00 -0.11 4.77 3.86 0.16 0.76 115.15 124.48 1nti h HIS 30 Ca 0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1nti h HIS 30 Cb 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1nti h HIS 30 CO -0.17 0.34 -0.16 -0.92 0.86 0.00 0.00 177.93 177.87 1nti h TYR 31 N 0.00 0.37 0.32 2.45 3.20 0.49 0.14 116.97 123.95 1nti h TYR 31 Ca -0.00 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1nti h TYR 31 Cb 0.84 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1nti h TYR 31 CO 0.00 0.76 -0.16 0.87 -1.64 0.00 0.00 178.16 177.99 1nti h LYS 32 N -0.13 -0.42 -0.43 1.82 1.79 -0.80 -0.79 116.57 117.61 1nti h LYS 32 Ca 0.01 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1nti h LYS 32 Cb 0.72 0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.40 1nti h LYS 32 CO 0.04 -0.15 0.03 1.96 -1.08 0.00 0.00 179.45 180.25 1nti h GLN 33 N -0.64 0.14 -0.01 3.15 1.08 -0.83 0.17 115.11 118.17 1nti h GLN 33 Ca -0.04 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1nti h GLN 33 Cb 0.46 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 1nti h GLN 33 CO 0.07 0.09 -0.25 0.00 -0.95 0.00 0.00 178.83 177.80 1nti h ALA 34 N 1.36 -0.32 0.18 3.87 0.00 -0.60 0.18 119.26 123.93 1nti h ALA 34 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1nti h ALA 34 Cb 0.30 0.44 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1nti h ALA 34 CO -0.33 -0.75 -1.55 1.79 0.00 0.00 0.00 179.25 178.42 1nti h THR 35 N -0.38 1.17 0.00 0.00 1.35 -0.98 -3.42 112.91 110.65 1nti h THR 35 Ca 0.07 -2.72 -0.28 0.00 -0.55 0.00 0.00 66.41 62.93 1nti h THR 35 Cb 0.47 2.87 -0.05 0.00 -1.73 0.00 0.00 68.15 69.71 1nti h THR 35 CO -0.23 0.84 -1.99 0.52 -0.25 0.00 0.00 175.52 174.41 1nti n VAL 36 N -3.58 0.98 0.00 6.82 0.31 0.47 -5.09 118.33 118.25 1nti n VAL 36 Ca -0.18 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1nti n VAL 36 Cb 1.07 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 2.36 0.51 3.67 2.92 0.00 0.62 -4.97 105.19 110.30 1nti n GLY 37 Ca -0.32 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 6.46 -0.09 1.61 1.11 -1.16 -3.68 116.67 116.92 1nti s ASP 38 Ca 0.00 2.67 -0.40 0.00 0.18 0.00 0.00 52.55 55.01 1nti s ASP 38 Cb 0.00 -2.55 -0.18 0.00 1.07 0.00 0.00 42.92 41.26 1nti s ASP 38 CO 0.00 -1.02 1.37 0.00 1.18 0.00 0.00 175.17 176.70 1nti n ILE 39 N 5.18 0.06 0.00 0.77 3.06 -1.26 -4.84 119.36 122.33 1nti n ILE 39 Ca 0.19 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 1nti n ILE 39 Cb 0.40 -0.60 0.00 0.00 0.54 0.00 0.00 39.64 39.98 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 2.95 0.00 0.13 9.51 4.13 -1.26 -4.99 115.26 125.73 1nti n ASN 40 Ca 0.22 0.52 0.00 0.00 1.68 0.00 0.00 54.58 57.00 1nti n ASN 40 Cb 0.11 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 1nti n ASN 40 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1nti n THR 41 N -1.93 0.00 -0.04 3.41 -2.24 -1.26 -5.01 114.28 107.22 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 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.16 -1.12 -2.33 -0.78 1.02 -1.26 -4.84 120.64 108.16 1nti n GLU 42 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1nti n GLU 42 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.08 4.43 0.01 3.49 3.52 -1.26 -4.94 118.95 124.12 1nti s ARG 43 Ca 0.00 1.90 -0.03 0.00 -0.13 0.00 0.00 55.73 57.48 1nti s ARG 43 Cb 0.00 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1nti s ARG 43 CO 0.00 -0.21 0.16 -2.30 -0.81 0.00 0.00 175.30 172.14 1nti n PRO 44 N 3.12 -0.04 0.00 5.12 -0.02 -1.26 -4.62 135.00 137.31 1nti n PRO 44 Ca 0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1nti n PRO 44 Cb 0.44 -0.23 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 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 -1.02 0.45 0.02 -1.23 0.00 -1.26 -2.93 105.19 99.21 1nti n GLY 45 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1nti n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nti n MET 46 N 0.00 0.12 -3.83 1.61 -0.00 -1.26 -5.03 117.12 108.73 1nti n MET 46 Ca 0.00 0.07 -0.29 0.00 -0.00 0.00 0.00 57.70 57.48 1nti n MET 46 Cb 0.00 -0.73 -0.04 0.00 -0.00 0.00 0.00 33.22 32.46 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 -5.61 4.30 0.00 3.17 2.01 -1.15 -5.03 118.68 116.37 1nti s LEU 47 Ca -0.06 0.33 0.12 0.00 0.01 0.00 0.00 54.13 54.53 1nti s LEU 47 Cb 0.01 -3.06 0.20 0.00 0.01 0.00 0.00 46.19 43.35 1nti s LEU 47 CO 0.09 0.07 1.06 0.47 1.01 0.00 0.00 176.35 179.04 1nti n ASP 48 N -0.19 2.45 0.00 2.29 8.00 -1.26 -4.26 116.55 123.57 1nti n ASP 48 Ca -0.05 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1nti n ASP 48 Cb 0.53 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.63 0.00 0.00 1.24 3.01 -1.26 -3.10 117.46 117.99 1nti n PHE 49 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1nti n PHE 49 Cb 0.36 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.59 0.00 0.00 -1.08 5.02 -1.26 -4.37 118.16 114.89 1nti n LYS 50 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nti n LYS 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.32 -1.86 0.19 0.72 0.00 -1.25 -5.01 105.19 97.66 1nti n GLY 51 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 46.02 46.97 1nti n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nti n LYS 52 N 0.00 -0.06 -0.08 1.61 4.81 -1.18 0.25 118.16 123.51 1nti n LYS 52 Ca 0.00 0.81 -0.08 0.00 -0.87 0.00 0.00 58.31 58.17 1nti n LYS 52 Cb 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 35.03 33.83 1nti n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nti h ALA 53 N 0.99 -0.11 -0.80 3.14 0.00 -1.96 0.23 119.26 120.76 1nti h ALA 53 Ca 0.24 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1nti h ALA 53 Cb 0.37 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1nti h ALA 53 CO -0.53 -0.67 0.50 0.87 0.00 0.00 0.00 179.25 179.41 1nti h LYS 54 N -0.24 0.92 0.64 0.00 1.79 0.30 0.33 116.57 120.30 1nti h LYS 54 Ca 0.16 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1nti h LYS 54 Cb 0.49 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1nti h LYS 54 CO -0.45 0.61 -0.31 2.35 -1.08 0.00 0.00 179.45 180.57 1nti h TRP 55 N 0.94 -0.79 -0.62 -1.35 7.01 0.83 0.99 115.95 122.97 1nti h TRP 55 Ca 0.33 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.44 1nti h TRP 55 Cb 0.08 0.26 -0.10 0.00 -2.10 0.00 0.00 29.16 27.31 1nti h TRP 55 CO -0.04 -0.49 0.06 -0.44 -2.79 0.00 0.00 178.44 174.74 1nti h ASP 56 N -0.95 -0.15 -0.51 2.65 5.19 -0.58 0.72 116.42 122.78 1nti h ASP 56 Ca -0.09 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1nti h ASP 56 Cb 0.66 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1nti h ASP 56 CO 0.14 -0.07 0.34 0.00 -3.12 0.00 0.00 179.24 176.54 1nti h ALA 57 N 1.53 1.85 0.24 3.45 0.00 -0.20 0.30 119.26 126.43 1nti h ALA 57 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1nti h ALA 57 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nti h ALA 57 CO -0.48 0.08 -0.12 2.35 0.00 0.00 0.00 179.25 181.08 1nti h TRP 58 N 0.50 -0.30 -0.98 0.00 7.01 0.28 -3.11 115.95 119.35 1nti h TRP 58 Ca 0.22 -0.01 0.34 0.00 2.11 0.00 0.00 58.89 61.55 1nti h TRP 58 Cb 0.23 0.10 -0.17 0.00 -2.10 0.00 0.00 29.16 27.22 1nti h TRP 58 CO -0.00 -0.19 0.35 -0.97 -2.79 0.00 0.00 178.44 174.84 1nti h ASN 59 N -1.07 0.06 -0.83 2.65 -1.24 0.15 0.99 115.58 116.28 1nti h ASN 59 Ca -0.03 0.25 0.16 0.00 0.71 0.00 0.00 56.30 57.39 1nti h ASN 59 Cb 0.25 0.32 -0.10 0.00 0.73 0.00 0.00 38.32 39.52 1nti h ASN 59 CO 0.05 -0.35 0.37 -0.08 -1.29 0.00 0.00 177.43 176.14 1nti h GLU 60 N 0.07 0.48 -0.13 6.67 4.81 -0.40 0.25 114.58 126.33 1nti h GLU 60 Ca 0.73 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 1nti h GLU 60 Cb 1.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1nti h GLU 60 CO -0.79 0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.09 1nti n LEU 61 N -4.97 0.96 -0.12 1.64 4.77 0.34 -4.68 117.00 114.93 1nti n LEU 61 Ca 0.17 -0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1nti n LEU 61 Cb 0.48 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1nti n LEU 61 CO 0.18 0.21 0.19 1.17 -1.33 0.00 0.00 177.39 177.81 1nti n LYS 62 N -0.09 -0.08 -1.36 3.23 4.81 0.89 -0.30 118.16 125.27 1nti n LYS 62 Ca 0.12 0.50 -0.35 0.00 -0.87 0.00 0.00 58.31 57.71 1nti n LYS 62 Cb 0.19 -0.74 0.08 0.00 0.02 0.00 0.00 35.03 34.58 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 -1.15 5.84 3.65 3.14 0.00 -1.26 -2.99 105.19 112.42 1nti n GLY 63 Ca 0.03 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 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 -4.82 5.21 0.81 2.61 2.01 0.59 -5.06 115.64 117.00 1nti s THR 64 Ca 0.64 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 1nti s THR 64 Cb 0.50 -3.69 0.09 0.00 0.01 0.00 0.00 72.50 69.41 1nti s THR 64 CO -0.04 0.24 1.15 -0.55 -0.69 0.00 0.00 174.62 174.73 1nti s SER 65 N 1.19 3.77 0.47 3.53 0.15 -1.26 -4.62 113.70 116.92 1nti s SER 65 Ca 0.17 2.14 0.12 0.00 0.70 0.00 0.00 55.95 59.08 1nti s SER 65 Cb -0.15 -2.56 1.08 0.00 -1.71 0.00 0.00 66.02 62.68 1nti s SER 65 CO 0.08 -2.54 2.10 0.11 1.20 0.00 0.00 173.24 174.19 1nti h LYS 66 N -1.15 0.26 0.02 5.44 1.57 -1.81 0.17 116.57 121.06 1nti h LYS 66 Ca -0.45 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 1nti h LYS 66 Cb 1.27 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.53 1nti h LYS 66 CO 0.47 0.17 -0.39 0.93 -0.57 0.00 0.00 179.45 180.06 1nti h GLU 67 N 0.26 0.23 -0.36 3.15 5.08 -1.89 0.50 114.58 121.55 1nti h GLU 67 Ca 0.08 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1nti h GLU 67 Cb 0.01 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1nti h GLU 67 CO -0.02 1.01 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.50 1nti h ASP 68 N -0.43 -0.29 0.65 1.42 3.32 -1.45 0.26 116.42 119.91 1nti h ASP 68 Ca -0.05 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1nti h ASP 68 Cb 1.16 0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.92 1nti h ASP 68 CO 0.08 -0.10 -0.31 0.00 -1.72 0.00 0.00 179.24 177.18 1nti h ALA 69 N 1.35 -0.88 -0.49 3.45 0.00 -0.82 0.26 119.26 122.13 1nti h ALA 69 Ca 0.18 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nti h ALA 69 Cb 0.26 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1nti h ALA 69 CO -0.36 -0.89 -0.52 0.52 0.00 0.00 0.00 179.25 178.00 1nti h MET 70 N -1.08 -0.28 0.26 0.00 2.86 -0.19 0.27 114.93 116.77 1nti h MET 70 Ca -0.09 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1nti h MET 70 Cb 0.71 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1nti h MET 70 CO 0.15 -0.19 -0.34 0.87 1.06 0.00 0.00 176.91 178.47 1nti h LYS 71 N -0.29 -0.59 -0.58 1.72 1.57 -0.45 0.32 116.57 118.27 1nti h LYS 71 Ca 0.08 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1nti h LYS 71 Cb 0.51 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 1nti h LYS 71 CO -0.62 -0.40 -0.04 0.00 -0.57 0.00 0.00 179.45 177.83 1nti h ALA 72 N -1.12 0.52 0.85 3.86 0.00 -0.33 0.69 119.26 123.73 1nti h ALA 72 Ca -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nti h ALA 72 Cb 0.55 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1nti h ALA 72 CO -0.08 -0.40 -0.48 -0.92 0.00 0.00 0.00 179.25 177.36 1nti h TYR 73 N 0.08 -1.28 -0.77 0.00 5.03 -0.26 0.22 116.97 119.99 1nti h TYR 73 Ca 0.30 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.67 1nti h TYR 73 Cb 0.47 0.45 -0.11 0.00 1.55 0.00 0.00 36.73 39.09 1nti h TYR 73 CO -0.38 -0.74 -0.54 0.82 -1.32 0.00 0.00 178.16 176.00 1nti h ILE 74 N -1.24 0.01 -0.27 1.81 2.04 0.55 0.51 117.51 120.92 1nti h ILE 74 Ca -0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1nti h ILE 74 Cb 0.98 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1nti h ILE 74 CO 0.14 0.00 0.15 0.44 0.00 0.00 0.00 178.15 178.89 1nti h ASP 75 N -0.14 0.24 -0.46 1.72 3.32 -0.80 0.19 116.42 120.49 1nti h ASP 75 Ca 0.16 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.30 1nti h ASP 75 Cb 0.50 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 1nti h ASP 75 CO -0.81 0.18 0.01 0.50 -1.72 0.00 0.00 179.24 177.39 1nti h LYS 76 N 0.32 0.12 -0.02 3.56 3.11 0.22 0.37 116.57 124.24 1nti h LYS 76 Ca 0.11 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1nti h LYS 76 Cb 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1nti h LYS 76 CO -0.06 0.08 0.01 0.28 -2.81 0.00 0.00 179.45 176.95 1nti h VAL 77 N 0.12 1.12 -0.93 2.00 2.07 0.36 0.17 116.25 121.17 1nti h VAL 77 Ca 0.23 -0.36 0.26 0.00 0.82 0.00 0.00 66.70 67.65 1nti h VAL 77 Cb 0.34 1.33 -0.14 0.00 -1.52 0.00 0.00 31.29 31.30 1nti h VAL 77 CO -0.38 0.10 0.39 -0.08 0.02 0.00 0.00 177.57 177.62 1nti h GLU 78 N -0.12 0.30 0.79 1.57 4.57 0.17 0.72 114.58 122.58 1nti h GLU 78 Ca 0.01 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1nti h GLU 78 Cb 0.15 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1nti h GLU 78 CO -0.00 0.20 -0.38 0.93 -1.18 0.00 0.00 179.01 178.58 1nti h GLU 79 N 0.31 -1.03 -0.82 1.92 4.39 0.18 -0.50 114.58 119.03 1nti h GLU 79 Ca 0.61 0.07 0.24 0.00 0.34 0.00 0.00 59.36 60.62 1nti h GLU 79 Cb 1.27 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.12 1nti h GLU 79 CO -0.60 -0.69 0.66 -0.07 -1.16 0.00 0.00 179.01 177.16 1nti h LEU 80 N -1.09 0.00 -0.02 1.33 3.38 0.21 0.35 115.31 119.47 1nti h LEU 80 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1nti h LEU 80 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1nti h LEU 80 CO 0.18 0.00 -0.04 0.50 0.09 0.00 0.00 178.44 179.17 1nti h LYS 81 N 0.00 0.06 -0.16 1.13 3.11 0.86 0.43 116.57 121.99 1nti h LYS 81 Ca 0.39 -0.04 -0.20 0.00 -2.81 0.00 0.00 60.65 58.00 1nti h LYS 81 Cb 1.71 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.95 1nti h LYS 81 CO -0.00 0.61 -0.67 -0.22 -2.81 0.00 0.00 179.45 176.36 1nti h LYS 82 N -0.49 0.74 0.05 1.90 3.64 0.05 0.46 116.57 122.91 1nti h LYS 82 Ca 0.00 -0.58 -0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1nti h LYS 82 Cb 0.61 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1nti h LYS 82 CO 0.01 1.19 -0.02 -0.22 -2.27 0.00 0.00 179.45 178.14 1nti h LYS 83 N 0.45 -0.07 0.00 1.90 3.11 -0.39 -3.39 116.57 118.18 1nti h LYS 83 Ca -0.04 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.66 1nti h LYS 83 Cb 1.30 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.52 1nti h LYS 83 CO 0.14 0.02 -1.56 0.66 -2.81 0.00 0.00 179.45 175.90 1nti n TYR 84 N -5.09 0.00 -1.14 1.91 4.01 0.15 -5.05 117.16 111.96 1nti n TYR 84 Ca -0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1nti n TYR 84 Cb 0.08 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 38.67 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 2.60 -1.73 0.46 2.72 0.00 0.16 -4.59 105.19 104.80 1nti n GLY 85 Ca -0.14 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.20 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83