#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 4.19 0.00 1.43 -0.21 -1.26 -5.03 119.66 118.78 1nti s GLN 2 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 55.36 57.84 1nti s GLN 2 Cb 0.00 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 31.00 1nti s GLN 2 CO 0.00 -0.45 0.00 0.00 -2.12 0.00 0.00 175.29 172.72 1nti n ALA 3 N 0.95 0.00 -0.32 6.09 0.00 -1.26 -4.75 120.51 121.22 1nti n ALA 3 Ca 0.02 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.78 1nti n ALA 3 Cb 0.40 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.54 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 0.09 0.21 0.00 5.08 -1.98 -1.43 114.58 116.55 1nti h GLU 4 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nti h GLU 4 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nti h GLU 4 CO 0.00 0.06 -0.10 0.35 -1.00 0.00 0.00 179.01 178.32 1nti h PHE 5 N 0.09 -0.26 -0.54 4.33 3.57 -1.91 0.14 116.94 122.37 1nti h PHE 5 Ca 0.57 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.09 1nti h PHE 5 Cb 2.09 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.88 1nti h PHE 5 CO -0.00 0.09 0.34 -0.44 -2.23 0.00 0.00 178.31 176.07 1nti h ASP 6 N -0.96 0.56 -0.62 0.41 3.32 -1.79 0.32 116.42 117.67 1nti h ASP 6 Ca -0.03 -0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.14 1nti h ASP 6 Cb 0.46 -0.13 -0.12 0.00 0.22 0.00 0.00 39.33 39.77 1nti h ASP 6 CO 0.05 0.40 -0.21 0.50 -1.72 0.00 0.00 179.24 178.26 1nti h LYS 7 N 0.68 -0.05 -0.09 3.56 3.64 -1.25 0.43 116.57 123.49 1nti h LYS 7 Ca 0.21 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1nti h LYS 7 Cb -0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1nti h LYS 7 CO -0.08 -0.03 0.05 0.00 -2.27 0.00 0.00 179.45 177.11 1nti h ALA 8 N 1.45 0.12 -0.98 5.00 0.00 0.23 0.20 119.26 125.27 1nti h ALA 8 Ca 0.29 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.31 1nti h ALA 8 Cb 0.50 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1nti h ALA 8 CO -0.66 -0.33 0.61 0.00 0.00 0.00 0.00 179.25 178.87 1nti h ALA 9 N 0.93 1.76 -0.01 0.00 0.00 0.15 0.30 119.26 122.39 1nti h ALA 9 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nti h ALA 9 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nti h ALA 9 CO -0.00 -0.09 -0.10 1.49 0.00 0.00 0.00 179.25 180.54 1nti h GLU 10 N 0.73 0.08 -0.50 0.00 4.81 0.04 -1.81 114.58 117.94 1nti h GLU 10 Ca 0.54 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.77 1nti h GLU 10 Cb 0.89 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 1nti h GLU 10 CO -0.32 0.81 0.14 0.93 -0.73 0.00 0.00 179.01 179.85 1nti h GLU 11 N -0.63 0.29 0.10 1.92 5.08 0.66 -0.74 114.58 121.26 1nti h GLU 11 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1nti h GLU 11 Cb 0.84 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1nti h GLU 11 CO 0.02 0.19 -0.26 -0.24 -1.00 0.00 0.00 179.01 177.72 1nti h VAL 12 N 0.30 0.42 0.00 3.13 3.04 -0.47 0.29 116.25 122.96 1nti h VAL 12 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1nti h VAL 12 Cb 0.30 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1nti h VAL 12 CO -0.28 0.00 0.44 0.11 -1.01 0.00 0.00 177.57 176.83 1nti h LYS 13 N -0.46 0.00 0.00 4.17 1.57 -0.25 -0.17 116.57 121.42 1nti h LYS 13 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nti h LYS 13 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1nti h LYS 13 CO -0.16 0.00 -0.02 0.72 -0.57 0.00 0.00 179.45 179.42 1nti n HIS 14 N -2.35 0.00 -1.69 -1.35 8.25 0.86 -5.06 115.22 113.88 1nti n HIS 14 Ca -0.01 -0.80 -0.34 0.00 -0.26 0.00 0.00 57.72 56.30 1nti n HIS 14 Cb 0.47 -0.11 0.06 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.18 3.43 0.32 2.41 1.43 -0.08 -4.89 118.68 119.12 1nti s LEU 15 Ca 0.21 2.23 0.25 0.00 -1.03 0.00 0.00 54.13 55.79 1nti s LEU 15 Cb 0.18 -4.58 0.57 0.00 0.03 0.00 0.00 46.19 42.40 1nti s LEU 15 CO 0.02 -1.88 1.69 0.50 0.23 0.00 0.00 176.35 176.92 1nti h LYS 16 N 0.11 0.00 -5.93 1.70 3.64 -1.03 -3.45 116.57 111.60 1nti h LYS 16 Ca -0.48 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 1nti h LYS 16 Cb 1.28 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.01 1nti h LYS 16 CO 0.52 0.00 -0.53 0.99 -2.27 0.00 0.00 179.45 178.17 1nti s THR 17 N -3.16 2.44 -0.43 1.00 2.01 -1.26 -5.06 115.64 111.19 1nti s THR 17 Ca 0.09 -1.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.16 1nti s THR 17 Cb 0.09 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.66 1nti s THR 17 CO 0.63 -0.06 0.41 -0.54 -0.69 0.00 0.00 174.62 174.37 1nti s LYS 18 N -3.85 3.06 0.31 4.92 -0.14 -1.26 -5.06 119.74 117.71 1nti s LYS 18 Ca 0.39 -0.87 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 1nti s LYS 18 Cb 0.03 -3.99 -0.11 0.00 -1.68 0.00 0.00 37.83 32.07 1nti s LYS 18 CO 0.22 -0.86 1.59 -2.14 -0.76 0.00 0.00 175.35 173.39 1nti s PRO 19 N 2.02 4.11 1.19 -1.68 0.02 -1.26 -4.96 135.00 134.43 1nti s PRO 19 Ca 0.10 2.60 -0.13 0.00 0.02 0.00 0.00 61.00 63.59 1nti s PRO 19 Cb -0.18 -3.01 0.30 0.00 0.02 0.00 0.00 34.50 31.63 1nti s PRO 19 CO 0.12 -0.63 1.02 0.00 -0.33 0.00 0.00 177.00 177.18 1nti n ALA 20 N 1.89 -2.97 -0.30 -1.55 0.00 -1.26 -4.24 120.51 112.08 1nti n ALA 20 Ca 0.07 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.22 1nti n ALA 20 Cb 0.37 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 1nti n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nti h ASP 21 N -2.73 -1.57 0.00 0.00 5.19 -1.99 0.51 116.42 115.84 1nti h ASP 21 Ca -0.62 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1nti h ASP 21 Cb 1.33 0.69 0.00 0.00 0.18 0.00 0.00 39.33 41.54 1nti h ASP 21 CO 0.49 -0.17 0.18 -0.33 -3.12 0.00 0.00 179.24 176.29 1nti h GLU 22 N -0.01 0.00 0.00 3.56 4.39 -1.97 0.30 114.58 120.84 1nti h GLU 22 Ca 0.11 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1nti h GLU 22 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1nti h GLU 22 CO -0.67 0.00 -0.61 1.49 -1.16 0.00 0.00 179.01 178.06 1nti h GLU 23 N 0.00 0.00 -0.96 2.33 4.57 -0.36 0.42 114.58 120.58 1nti h GLU 23 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1nti h GLU 23 Cb 0.37 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.90 1nti h GLU 23 CO 0.00 0.71 0.62 0.00 -1.18 0.00 0.00 179.01 179.16 1nti h MET 24 N -1.00 1.10 0.06 1.92 -0.00 -0.30 0.33 114.93 117.04 1nti h MET 24 Ca -0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.70 59.49 1nti h MET 24 Cb 0.92 -0.25 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1nti h MET 24 CO -0.09 0.73 -0.03 -0.07 -0.00 0.00 0.00 176.91 177.45 1nti h LEU 25 N 1.13 -0.06 0.35 -0.10 3.38 -0.51 0.48 115.31 119.97 1nti h LEU 25 Ca 0.40 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nti h LEU 25 Cb 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1nti h LEU 25 CO -0.15 0.27 -0.39 0.15 0.09 0.00 0.00 178.44 178.41 1nti h PHE 26 N -0.41 -1.07 0.00 1.13 3.57 0.84 0.17 116.94 121.18 1nti h PHE 26 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nti h PHE 26 Cb 0.36 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1nti h PHE 26 CO 0.04 -0.53 0.00 -0.89 -2.23 0.00 0.00 178.31 174.69 1nti n ILE 27 N -5.48 0.00 -0.22 1.41 -0.00 0.11 -0.88 119.36 114.29 1nti n ILE 27 Ca -0.10 1.18 -0.05 0.00 -0.00 0.00 0.00 62.75 63.78 1nti n ILE 27 Cb 0.38 -1.94 -0.04 0.00 -0.00 0.00 0.00 39.64 38.05 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 -1.38 -0.20 0.28 1.39 4.19 0.17 0.25 117.16 121.86 1nti n TYR 28 Ca 0.00 0.66 -0.18 0.00 3.31 0.00 0.00 57.90 61.70 1nti n TYR 28 Cb 0.00 -0.56 -0.10 0.00 0.49 0.00 0.00 39.34 39.17 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 -1.35 -0.77 2.98 4.64 -0.32 -0.64 113.55 118.08 1nti h SER 29 Ca 0.10 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1nti h SER 29 Cb 0.23 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 1nti h SER 29 CO -0.50 -0.65 0.41 0.45 -0.87 0.00 0.00 176.83 175.67 1nti h HIS 30 N -0.98 1.08 -0.40 4.77 3.86 0.07 -1.34 115.15 122.20 1nti h HIS 30 Ca -0.06 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1nti h HIS 30 Cb 0.85 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1nti h HIS 30 CO -0.25 0.76 0.12 -0.92 0.86 0.00 0.00 177.93 178.49 1nti h TYR 31 N 1.09 0.66 0.29 2.45 3.20 -0.03 0.08 116.97 124.71 1nti h TYR 31 Ca 0.27 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1nti h TYR 31 Cb 0.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1nti h TYR 31 CO 0.01 0.62 -0.14 0.87 -1.64 0.00 0.00 178.16 177.87 1nti h LYS 32 N 0.50 -0.38 -0.99 1.82 1.79 -0.66 0.69 116.57 119.35 1nti h LYS 32 Ca 0.13 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.73 1nti h LYS 32 Cb 0.28 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.93 1nti h LYS 32 CO -0.00 -0.07 0.63 0.37 -1.08 0.00 0.00 179.45 179.29 1nti h GLN 33 N -0.70 0.99 0.28 3.15 5.75 -1.20 0.57 115.11 123.96 1nti h GLN 33 Ca -0.04 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1nti h GLN 33 Cb 0.48 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1nti h GLN 33 CO 0.07 0.66 -0.13 0.00 -2.65 0.00 0.00 178.83 176.77 1nti h ALA 34 N 1.52 -0.38 0.00 3.38 0.00 -0.78 -3.08 119.26 119.93 1nti h ALA 34 Ca 0.47 -0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.92 1nti h ALA 34 Cb 0.40 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1nti h ALA 34 CO -0.23 -0.71 -2.42 0.25 0.00 0.00 0.00 179.25 176.14 1nti n THR 35 N -5.25 1.43 0.00 0.00 -2.24 0.22 -4.65 114.28 103.78 1nti n THR 35 Ca -0.10 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 1nti n THR 35 Cb 0.17 -1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 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 0.00 0.99 0.00 2.28 2.07 -0.20 -3.51 116.25 117.88 1nti h VAL 36 Ca -0.56 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.58 1nti h VAL 36 Cb 1.96 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 1nti h VAL 36 CO -0.06 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1nti n GLY 37 N 1.75 -0.00 3.28 2.17 0.00 0.86 -4.99 105.19 108.26 1nti n GLY 37 Ca -0.26 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.74 -4.53 1.61 8.00 -1.25 -3.45 116.55 114.19 1nti n ASP 38 Ca 0.00 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1nti n ASP 38 Cb 0.00 -1.00 -0.08 0.00 -0.02 0.00 0.00 41.12 40.02 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nti s ILE 39 N -2.26 5.05 -0.03 0.53 2.07 -1.26 -4.74 121.20 120.56 1nti s ILE 39 Ca 0.53 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.85 1nti s ILE 39 Cb -0.14 -3.98 0.07 0.00 0.13 0.00 0.00 42.46 38.53 1nti s ILE 39 CO 0.69 -0.30 0.90 -0.46 -1.91 0.00 0.00 174.94 173.86 1nti n ASN 40 N 5.68 1.12 -3.48 4.50 6.94 -1.26 -5.03 115.26 123.74 1nti n ASN 40 Ca -0.06 -1.98 -0.10 0.00 -0.02 0.00 0.00 54.58 52.43 1nti n ASN 40 Cb 0.48 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nti s THR 41 N -0.95 0.00 0.00 5.53 -4.23 -1.26 -5.05 115.64 109.69 1nti s THR 41 Ca 0.07 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1nti s THR 41 Cb 0.06 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1nti s THR 41 CO 0.01 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.30 1nti n GLU 42 N -0.48 0.00 0.00 3.99 4.07 -1.26 -4.98 120.64 121.97 1nti n GLU 42 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1nti n GLU 42 Cb 0.61 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 1nti n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1nti n ARG 43 N 0.00 0.00 0.00 5.31 0.63 -1.26 -4.77 116.66 116.57 1nti n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1nti n ARG 43 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1nti n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nti n PRO 44 N 0.00 0.00 0.00 -0.14 -0.02 -1.26 -4.96 135.00 128.62 1nti n PRO 44 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1nti n PRO 44 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 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 -0.82 1.45 0.00 -1.23 0.00 -1.26 -4.80 105.19 98.53 1nti n GLY 45 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.90 0.00 0.00 1.61 2.81 -1.26 -0.86 117.12 121.32 1nti n MET 46 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1nti n MET 46 Cb 0.00 0.00 0.37 0.00 -0.71 0.00 0.00 33.22 32.88 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 -2.70 1.27 -4.83 4.03 7.99 -1.26 -4.96 117.00 116.53 1nti n LEU 47 Ca 0.00 -0.38 -0.22 0.00 -0.01 0.00 0.00 56.01 55.41 1nti n LEU 47 Cb 0.00 -0.08 -0.04 0.00 -0.11 0.00 0.00 43.42 43.19 1nti n LEU 47 CO 0.00 0.23 -0.14 -0.62 -1.51 0.00 0.00 177.39 175.35 1nti s ASP 48 N -2.37 5.44 0.00 -1.43 -1.08 -0.04 -5.07 116.67 112.12 1nti s ASP 48 Ca 0.27 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.96 1nti s ASP 48 Cb 0.20 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.41 1nti s ASP 48 CO 0.48 -0.15 0.00 0.49 0.52 0.00 0.00 175.17 176.51 1nti n PHE 49 N -1.25 0.00 -0.78 -5.34 3.01 -1.26 -4.82 117.46 107.02 1nti n PHE 49 Ca -0.06 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.31 1nti n PHE 49 Cb 0.59 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.92 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 -0.84 1.56 0.10 -1.08 5.02 -1.26 -2.73 118.16 118.92 1nti n LYS 50 Ca 0.00 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1nti n LYS 50 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 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 2.61 -0.21 0.32 0.72 0.00 -1.26 -4.75 105.19 102.61 1nti n GLY 51 Ca 0.33 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 0.00 0.30 1.61 3.64 -1.83 0.28 116.57 120.57 1nti h LYS 52 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nti h LYS 52 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1nti h LYS 52 CO 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 179.45 177.03 1nti h ALA 53 N 2.00 -1.10 -0.98 5.00 0.00 -1.87 0.18 119.26 122.50 1nti h ALA 53 Ca 0.84 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.99 1nti h ALA 53 Cb 2.19 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 20.00 1nti h ALA 53 CO -0.78 -1.07 0.44 -0.22 0.00 0.00 0.00 179.25 177.63 1nti h LYS 54 N -0.41 0.15 0.37 0.00 3.11 -0.88 0.44 116.57 119.35 1nti h LYS 54 Ca -0.04 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 1nti h LYS 54 Cb 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1nti h LYS 54 CO 0.06 0.10 -0.18 2.35 -2.81 0.00 0.00 179.45 178.98 1nti h TRP 55 N 0.15 -0.46 -0.91 1.91 7.01 -0.46 -0.36 115.95 122.83 1nti h TRP 55 Ca 0.73 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.88 1nti h TRP 55 Cb 1.74 0.15 -0.10 0.00 -2.10 0.00 0.00 29.16 28.86 1nti h TRP 55 CO -0.11 -0.29 0.51 -0.44 -2.79 0.00 0.00 178.44 175.33 1nti h ASP 56 N -0.56 0.66 -0.86 2.65 3.32 0.29 0.44 116.42 122.36 1nti h ASP 56 Ca -0.05 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.19 1nti h ASP 56 Cb 0.38 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 1nti h ASP 56 CO 0.08 0.28 0.56 0.00 -1.72 0.00 0.00 179.24 178.44 1nti h ALA 57 N 1.58 1.72 0.01 3.45 0.00 -0.05 0.14 119.26 126.11 1nti h ALA 57 Ca 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1nti h ALA 57 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nti h ALA 57 CO -0.35 0.09 -0.01 2.35 0.00 0.00 0.00 179.25 181.33 1nti h TRP 58 N 0.80 -0.02 -0.94 0.00 7.01 0.15 -3.25 115.95 119.69 1nti h TRP 58 Ca 0.41 -0.00 0.30 0.00 2.11 0.00 0.00 58.89 61.71 1nti h TRP 58 Cb 0.49 0.01 -0.17 0.00 -2.10 0.00 0.00 29.16 27.38 1nti h TRP 58 CO -0.00 0.77 0.16 -1.71 -2.79 0.00 0.00 178.44 174.87 1nti n ASN 59 N -4.69 0.02 -0.45 2.65 5.15 0.88 0.06 115.26 118.87 1nti n ASN 59 Ca -0.09 1.59 0.41 0.00 -0.60 0.00 0.00 54.58 55.90 1nti n ASN 59 Cb 0.38 -0.64 0.72 0.00 -0.53 0.00 0.00 39.78 39.72 1nti n ASN 59 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1nti h GLU 60 N 0.00 0.00 -0.02 1.20 4.81 -0.83 0.43 114.58 120.17 1nti h GLU 60 Ca 0.64 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1nti h GLU 60 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1nti h GLU 60 CO -0.84 0.00 -0.26 1.28 -0.73 0.00 0.00 179.01 178.46 1nti n LEU 61 N -3.83 2.44 -0.08 1.64 4.77 0.11 -4.83 117.00 117.21 1nti n LEU 61 Ca 0.33 -0.85 0.05 0.00 -0.03 0.00 0.00 56.01 55.50 1nti n LEU 61 Cb 1.63 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.82 1nti n LEU 61 CO 0.38 0.43 0.21 1.17 -1.33 0.00 0.00 177.39 178.25 1nti n LYS 62 N 0.57 -0.02 -0.01 3.23 4.81 0.15 -0.04 118.16 126.85 1nti n LYS 62 Ca 0.11 0.35 0.01 0.00 -0.87 0.00 0.00 58.31 57.91 1nti n LYS 62 Cb 0.52 -0.58 0.01 0.00 0.02 0.00 0.00 35.03 35.00 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 -1.10 0.42 3.15 3.14 0.00 -1.26 -3.82 105.19 105.72 1nti n GLY 63 Ca 0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.13 0.00 -2.13 2.61 -1.04 0.94 -4.97 114.28 109.57 1nti n THR 64 Ca 0.01 -0.18 -0.27 0.00 -2.04 0.00 0.00 64.05 61.57 1nti n THR 64 Cb 0.13 -0.44 0.06 0.00 -1.82 0.00 0.00 70.33 68.25 1nti n THR 64 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nti s SER 65 N -1.68 5.03 -0.16 8.00 0.01 -1.26 -4.98 113.70 118.67 1nti s SER 65 Ca 0.47 0.70 0.17 0.00 1.31 0.00 0.00 55.95 58.60 1nti s SER 65 Cb -0.05 -1.42 -0.25 0.00 0.21 0.00 0.00 66.02 64.51 1nti s SER 65 CO 0.58 -1.50 0.20 0.29 0.41 0.00 0.00 173.24 173.22 1nti n LYS 66 N -2.95 0.68 -0.12 12.44 5.02 -1.26 -4.01 118.16 127.97 1nti n LYS 66 Ca 0.07 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 1nti n LYS 66 Cb 0.59 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1nti n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nti h GLU 67 N 0.00 0.69 -0.30 1.97 4.39 -1.93 -0.02 114.58 119.38 1nti h GLU 67 Ca -0.47 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.02 1nti h GLU 67 Cb 2.12 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 30.68 1nti h GLU 67 CO 0.04 0.87 -0.13 -0.44 -1.16 0.00 0.00 179.01 178.19 1nti h ASP 68 N 0.47 -0.43 0.83 1.42 5.19 -1.98 0.23 116.42 122.15 1nti h ASP 68 Ca 0.08 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 1nti h ASP 68 Cb 0.63 0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.40 1nti h ASP 68 CO 0.04 -0.16 -0.40 0.00 -3.12 0.00 0.00 179.24 175.60 1nti h ALA 69 N 1.18 -1.12 -0.84 3.45 0.00 -1.65 0.35 119.26 120.63 1nti h ALA 69 Ca 0.15 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1nti h ALA 69 Cb 0.31 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 1nti h ALA 69 CO -0.35 -1.13 -0.50 0.52 0.00 0.00 0.00 179.25 177.79 1nti h MET 70 N -1.12 -0.09 0.66 0.00 2.86 -0.33 0.32 114.93 117.22 1nti h MET 70 Ca -0.11 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1nti h MET 70 Cb 0.86 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1nti h MET 70 CO 0.19 -0.06 -0.42 -0.22 1.06 0.00 0.00 176.91 177.46 1nti h LYS 71 N -0.09 -0.98 -0.71 1.72 3.11 -0.33 -0.03 116.57 119.25 1nti h LYS 71 Ca 0.20 0.07 0.14 0.00 -2.81 0.00 0.00 60.65 58.25 1nti h LYS 71 Cb 0.51 0.22 -0.10 0.00 -1.00 0.00 0.00 32.23 31.87 1nti h LYS 71 CO -0.86 -0.65 0.20 0.00 -2.81 0.00 0.00 179.45 175.33 1nti h ALA 72 N -1.27 0.92 0.44 5.00 0.00 0.04 -0.23 119.26 124.17 1nti h ALA 72 Ca -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nti h ALA 72 Cb 0.82 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1nti h ALA 72 CO 0.08 -0.30 -0.51 -0.92 0.00 0.00 0.00 179.25 177.60 1nti h TYR 73 N 0.31 -1.42 -0.48 0.00 5.03 -0.19 0.26 116.97 120.48 1nti h TYR 73 Ca 0.39 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.78 1nti h TYR 73 Cb 0.63 0.56 -0.09 0.00 1.55 0.00 0.00 36.73 39.38 1nti h TYR 73 CO -0.23 -0.66 -0.48 0.82 -1.32 0.00 0.00 178.16 176.28 1nti h ILE 74 N -0.97 0.06 -0.33 1.81 2.04 0.64 0.41 117.51 121.17 1nti h ILE 74 Ca -0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1nti h ILE 74 Cb 0.85 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1nti h ILE 74 CO -0.10 0.00 -0.10 0.44 0.00 0.00 0.00 178.15 178.40 1nti h ASP 75 N -0.31 -0.35 -0.81 1.72 5.19 -0.76 0.37 116.42 121.47 1nti h ASP 75 Ca 0.13 0.10 0.08 0.00 -0.62 0.00 0.00 57.03 56.72 1nti h ASP 75 Cb 0.58 0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.26 1nti h ASP 75 CO -0.63 -0.13 0.53 0.50 -3.12 0.00 0.00 179.24 176.39 1nti h LYS 76 N -0.02 0.80 -0.05 3.56 3.11 0.12 0.24 116.57 124.34 1nti h LYS 76 Ca 0.16 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.88 1nti h LYS 76 Cb 0.27 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1nti h LYS 76 CO -0.35 0.53 -0.25 0.28 -2.81 0.00 0.00 179.45 176.85 1nti h VAL 77 N 0.83 1.45 -0.70 2.00 2.07 0.19 0.12 116.25 122.21 1nti h VAL 77 Ca 0.36 -1.70 0.15 0.00 0.82 0.00 0.00 66.70 66.34 1nti h VAL 77 Cb 0.32 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 32.37 1nti h VAL 77 CO -0.13 0.48 0.01 -0.08 0.02 0.00 0.00 177.57 177.86 1nti h GLU 78 N -0.28 0.11 0.38 1.57 4.22 0.50 0.54 114.58 121.62 1nti h GLU 78 Ca -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1nti h GLU 78 Cb 0.90 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1nti h GLU 78 CO 0.05 0.07 -0.22 0.93 -2.18 0.00 0.00 179.01 177.66 1nti h GLU 79 N 0.12 -0.55 -0.74 1.92 4.39 -0.37 -1.04 114.58 118.31 1nti h GLU 79 Ca 0.38 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.27 1nti h GLU 79 Cb 0.64 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.28 1nti h GLU 79 CO -0.61 -0.37 -0.13 -0.07 -1.16 0.00 0.00 179.01 176.67 1nti h LEU 80 N -0.58 -0.59 -0.89 1.33 3.38 0.20 0.43 115.31 118.59 1nti h LEU 80 Ca -0.04 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1nti h LEU 80 Cb 0.47 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1nti h LEU 80 CO 0.05 -0.23 0.22 0.50 0.09 0.00 0.00 178.44 179.07 1nti h LYS 81 N 0.03 1.03 0.09 1.13 3.64 -0.37 0.39 116.57 122.50 1nti h LYS 81 Ca 0.37 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1nti h LYS 81 Cb 0.60 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1nti h LYS 81 CO -0.73 0.88 -0.04 0.87 -2.27 0.00 0.00 179.45 178.15 1nti h LYS 82 N 1.00 -0.11 0.21 1.90 1.79 0.10 0.60 116.57 122.06 1nti h LYS 82 Ca 0.22 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1nti h LYS 82 Cb 0.27 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1nti h LYS 82 CO -0.01 -0.02 -0.35 -0.22 -1.08 0.00 0.00 179.45 177.78 1nti h LYS 83 N -0.18 -0.61 0.00 3.15 3.64 -0.17 -3.26 116.57 119.15 1nti h LYS 83 Ca -0.01 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1nti h LYS 83 Cb 0.15 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1nti h LYS 83 CO 0.02 -0.40 -1.03 1.88 -2.27 0.00 0.00 179.45 177.65 1nti h TYR 84 N -0.63 0.00 0.00 1.91 0.05 -0.30 -3.49 116.97 114.51 1nti h TYR 84 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1nti h TYR 84 Cb 0.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1nti h TYR 84 CO -0.27 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1nti n GLY 85 N 1.27 2.16 0.00 3.88 0.00 0.21 -4.89 105.19 107.82 1nti n GLY 85 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83