#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 3.34 0.00 -1.46 3.00 -1.26 -4.78 117.38 116.22 1nti n GLN 2 Ca 0.00 -4.32 0.00 0.00 -0.01 0.00 0.00 57.00 52.67 1nti n GLN 2 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 27.98 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nti n ALA 3 N -0.45 0.00 -0.34 -1.58 0.00 -1.26 -4.61 120.51 112.27 1nti n ALA 3 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nti n ALA 3 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1nti n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1nti n GLU 4 N 0.00 0.00 -0.40 0.00 0.28 -1.26 -0.68 120.64 118.59 1nti n GLU 4 Ca 0.00 0.82 -0.10 0.00 -0.16 0.00 0.00 57.16 57.72 1nti n GLU 4 Cb 0.00 -1.31 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 1nti n GLU 4 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1nti n PHE 5 N -2.30 -0.39 -0.12 -1.84 7.35 -1.26 0.65 117.46 119.56 1nti n PHE 5 Ca 0.00 1.19 -0.05 0.00 -0.76 0.00 0.00 57.45 57.83 1nti n PHE 5 Cb 0.00 -0.59 0.03 0.00 0.35 0.00 0.00 39.48 39.26 1nti n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1nti h ASP 6 N 0.00 0.01 -0.66 -2.13 3.32 -1.78 0.46 116.42 115.64 1nti h ASP 6 Ca 0.16 0.06 0.14 0.00 0.02 0.00 0.00 57.03 57.42 1nti h ASP 6 Cb 0.40 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.93 1nti h ASP 6 CO -0.90 0.04 0.02 0.50 -1.72 0.00 0.00 179.24 177.19 1nti h LYS 7 N 0.21 0.13 -0.11 3.56 1.63 0.25 0.39 116.57 122.63 1nti h LYS 7 Ca 0.19 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1nti h LYS 7 Cb 0.22 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1nti h LYS 7 CO -0.24 0.08 0.07 0.00 -3.45 0.00 0.00 179.45 175.91 1nti h ALA 8 N 1.60 0.14 -0.73 5.00 0.00 0.27 -0.10 119.26 125.44 1nti h ALA 8 Ca 0.35 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.41 1nti h ALA 8 Cb 0.58 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 1nti h ALA 8 CO -0.55 -0.37 0.16 0.00 0.00 0.00 0.00 179.25 178.48 1nti h ALA 9 N 1.03 0.92 0.66 0.00 0.00 0.19 0.24 119.26 122.30 1nti h ALA 9 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nti h ALA 9 Cb -0.01 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nti h ALA 9 CO -0.01 -0.35 -0.32 0.93 0.00 0.00 0.00 179.25 179.51 1nti h GLU 10 N 0.25 -0.85 -0.18 0.00 5.08 0.31 -0.49 114.58 118.70 1nti h GLU 10 Ca 0.41 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 1nti h GLU 10 Cb 0.69 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 1nti h GLU 10 CO -0.51 -0.55 -0.47 0.93 -1.00 0.00 0.00 179.01 177.41 1nti h GLU 11 N -0.95 -0.48 0.82 2.33 5.08 0.38 -0.42 114.58 121.34 1nti h GLU 11 Ca -0.09 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1nti h GLU 11 Cb 0.70 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1nti h GLU 11 CO 0.15 -0.32 -0.50 -0.24 -1.00 0.00 0.00 179.01 177.10 1nti h VAL 12 N -0.50 0.00 -0.41 3.13 3.04 -0.63 0.11 116.25 120.98 1nti h VAL 12 Ca 0.07 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.88 1nti h VAL 12 Cb 0.64 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1nti h VAL 12 CO -0.45 0.00 0.78 0.11 -1.01 0.00 0.00 177.57 177.00 1nti h LYS 13 N -1.23 0.00 -0.01 4.17 1.57 -0.81 0.74 116.57 120.99 1nti h LYS 13 Ca -0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1nti h LYS 13 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1nti h LYS 13 CO 0.12 0.00 -0.31 1.58 -0.57 0.00 0.00 179.45 180.27 1nti n HIS 14 N -3.12 0.03 -2.31 -1.35 -0.00 -0.19 -5.07 115.22 103.22 1nti n HIS 14 Ca 0.08 -1.32 -0.39 0.00 -0.00 0.00 0.00 57.72 56.09 1nti n HIS 14 Cb 0.93 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 30.67 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 -3.11 4.27 0.00 0.27 1.43 0.25 -4.92 118.68 116.87 1nti s LEU 15 Ca 0.36 2.36 0.22 0.00 -1.03 0.00 0.00 54.13 56.04 1nti s LEU 15 Cb 0.34 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1nti s LEU 15 CO -0.03 -0.58 1.00 1.17 0.23 0.00 0.00 176.35 178.14 1nti n LYS 16 N 0.30 0.03 -3.36 1.70 4.81 0.50 -4.95 118.16 117.19 1nti n LYS 16 Ca 0.03 -0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.27 1nti n LYS 16 Cb 0.46 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.00 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 -3.02 2.64 -0.45 3.15 2.01 0.24 -5.03 115.64 115.18 1nti s THR 17 Ca 0.08 -1.21 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 1nti s THR 17 Cb 0.16 -2.85 0.05 0.00 0.01 0.00 0.00 72.50 69.87 1nti s THR 17 CO 0.83 0.00 0.40 -0.54 -0.69 0.00 0.00 174.62 174.63 1nti s LYS 18 N -4.27 3.01 0.99 4.92 1.02 -1.26 -5.07 119.74 119.09 1nti s LYS 18 Ca 0.51 -1.10 -0.17 0.00 0.02 0.00 0.00 55.97 55.23 1nti s LYS 18 Cb -0.06 -4.06 0.23 0.00 -0.52 0.00 0.00 37.83 33.43 1nti s LYS 18 CO 0.30 -0.94 1.30 -2.30 -0.92 0.00 0.00 175.35 172.80 1nti n PRO 19 N 5.38 -1.43 -3.76 -1.68 -0.02 -1.26 -5.08 135.00 127.14 1nti n PRO 19 Ca -0.10 -2.02 -0.24 0.00 -2.02 0.00 0.00 63.50 59.11 1nti n PRO 19 Cb 0.45 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 1nti n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nti s ALA 20 N -3.90 3.86 0.09 3.55 0.00 -1.26 -4.93 121.76 119.17 1nti s ALA 20 Ca 0.75 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1nti s ALA 20 Cb -0.02 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1nti s ALA 20 CO 0.53 0.29 1.29 0.38 0.00 0.00 0.00 175.76 178.25 1nti h ASP 21 N 1.49 -1.16 -0.78 0.00 2.03 -1.98 0.63 116.42 116.64 1nti h ASP 21 Ca -0.50 0.17 0.18 0.00 -0.73 0.00 0.00 57.03 56.16 1nti h ASP 21 Cb 1.21 0.51 -0.12 0.00 -0.83 0.00 0.00 39.33 40.10 1nti h ASP 21 CO 0.64 -0.13 0.16 -0.33 -1.03 0.00 0.00 179.24 178.56 1nti h GLU 22 N -0.01 0.22 0.26 4.15 4.39 -1.98 0.37 114.58 121.98 1nti h GLU 22 Ca 0.08 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1nti h GLU 22 Cb 0.23 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1nti h GLU 22 CO -0.49 0.14 -0.13 0.93 -1.16 0.00 0.00 179.01 178.30 1nti h GLU 23 N 0.22 -0.34 -0.39 2.33 5.08 -1.56 0.36 114.58 120.29 1nti h GLU 23 Ca 0.46 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.92 1nti h GLU 23 Cb 0.83 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 1nti h GLU 23 CO -0.58 -0.14 -0.13 0.52 -1.00 0.00 0.00 179.01 177.68 1nti h MET 24 N -0.48 -0.04 0.04 2.33 2.86 0.39 0.25 114.93 120.29 1nti h MET 24 Ca -0.04 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1nti h MET 24 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1nti h MET 24 CO 0.06 -0.03 -0.08 -0.07 1.06 0.00 0.00 176.91 177.85 1nti h LEU 25 N -0.04 -0.22 0.02 1.22 3.38 -0.10 0.46 115.31 120.02 1nti h LEU 25 Ca 0.19 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1nti h LEU 25 Cb 0.33 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1nti h LEU 25 CO -0.43 -0.12 -0.33 0.15 0.09 0.00 0.00 178.44 177.80 1nti h PHE 26 N -0.16 -0.90 0.00 1.13 3.04 0.26 0.13 116.94 120.44 1nti h PHE 26 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1nti h PHE 26 Cb 0.18 0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1nti h PHE 26 CO -0.13 -0.42 0.00 -0.89 -2.02 0.00 0.00 178.31 174.85 1nti n ILE 27 N -5.42 0.00 -0.02 1.41 2.08 0.84 -1.01 119.36 117.25 1nti n ILE 27 Ca -0.05 0.86 -0.01 0.00 0.56 0.00 0.00 62.75 64.11 1nti n ILE 27 Cb 0.33 -1.78 -0.01 0.00 -0.75 0.00 0.00 39.64 37.44 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nti n TYR 28 N -0.41 -0.02 0.31 1.39 9.36 0.16 0.20 117.16 128.14 1nti n TYR 28 Ca 0.00 0.06 -0.16 0.00 3.32 0.00 0.00 57.90 61.12 1nti n TYR 28 Cb 0.00 -0.45 -0.08 0.00 -0.63 0.00 0.00 39.34 38.17 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 -1.13 -0.64 2.98 4.64 -0.72 0.14 113.55 118.81 1nti h SER 29 Ca 0.01 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1nti h SER 29 Cb 0.02 0.35 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1nti h SER 29 CO -0.05 -0.61 0.43 0.45 -0.87 0.00 0.00 176.83 176.18 1nti h HIS 30 N -0.95 0.78 -0.13 4.77 3.86 0.11 0.94 115.15 124.53 1nti h HIS 30 Ca -0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1nti h HIS 30 Cb 0.79 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1nti h HIS 30 CO -0.15 0.48 0.01 -0.92 0.86 0.00 0.00 177.93 178.20 1nti h TYR 31 N 0.83 0.24 0.66 2.45 3.20 -0.05 0.14 116.97 124.45 1nti h TYR 31 Ca 0.24 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1nti h TYR 31 Cb -0.03 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.18 1nti h TYR 31 CO -0.00 0.44 -0.32 0.87 -1.64 0.00 0.00 178.16 177.51 1nti h LYS 32 N -0.03 -0.86 -0.79 1.82 1.79 -0.38 0.13 116.57 118.25 1nti h LYS 32 Ca 0.04 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.71 1nti h LYS 32 Cb 0.34 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.10 1nti h LYS 32 CO 0.01 -0.57 0.36 0.37 -1.08 0.00 0.00 179.45 178.54 1nti h GLN 33 N -0.91 0.51 -0.40 3.15 5.75 -0.76 0.30 115.11 122.74 1nti h GLN 33 Ca -0.09 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 1nti h GLN 33 Cb 0.69 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 1nti h GLN 33 CO 0.15 0.34 -0.27 0.00 -2.65 0.00 0.00 178.83 176.40 1nti h ALA 34 N 1.54 0.76 0.00 3.38 0.00 -0.36 -3.21 119.26 121.38 1nti h ALA 34 Ca 0.43 -0.40 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1nti h ALA 34 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1nti h ALA 34 CO -0.37 0.66 -1.92 0.25 0.00 0.00 0.00 179.25 177.86 1nti n THR 35 N -4.09 0.93 0.02 0.00 -2.24 0.41 -4.75 114.28 104.56 1nti n THR 35 Ca -0.00 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.20 1nti n THR 35 Cb 0.47 -1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.83 0.00 2.28 2.07 -0.75 -3.51 116.25 117.18 1nti h VAL 36 Ca -0.36 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1nti h VAL 36 Cb 1.56 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1nti h VAL 36 CO -0.06 0.81 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1nti n GLY 37 N 1.86 -0.21 3.23 2.17 0.00 0.71 -5.00 105.19 107.96 1nti n GLY 37 Ca -0.28 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.35 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 -2.49 -4.52 1.61 9.92 -1.25 -3.33 116.55 116.49 1nti n ASP 38 Ca 0.00 -0.16 -0.42 0.00 -0.53 0.00 0.00 54.79 53.68 1nti n ASP 38 Cb 0.00 -0.90 -0.08 0.00 -0.64 0.00 0.00 41.12 39.49 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nti s ILE 39 N -2.20 5.02 -0.08 0.53 2.07 -1.26 -4.79 121.20 120.49 1nti s ILE 39 Ca 0.53 0.04 0.11 0.00 -1.41 0.00 0.00 60.65 59.93 1nti s ILE 39 Cb -0.10 -4.02 0.20 0.00 0.13 0.00 0.00 42.46 38.67 1nti s ILE 39 CO 0.63 -0.35 1.10 -0.46 -1.91 0.00 0.00 174.94 173.95 1nti n ASN 40 N 5.77 1.30 -0.01 4.50 6.94 -1.26 -4.88 115.26 127.61 1nti n ASN 40 Ca -0.05 -2.66 -0.16 0.00 -0.02 0.00 0.00 54.58 51.68 1nti n ASN 40 Cb 0.48 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.44 1nti n ASN 40 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1nti h THR 41 N 3.27 1.55 0.00 5.53 1.35 -2.00 -3.50 112.91 119.11 1nti h THR 41 Ca -0.02 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1nti h THR 41 Cb 1.22 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 1nti h THR 41 CO 0.01 0.59 0.00 -0.62 -0.25 0.00 0.00 175.52 175.25 1nti n GLU 42 N -4.39 0.00 -2.56 4.72 -0.58 -1.26 -5.13 120.64 111.44 1nti n GLU 42 Ca -0.11 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 1nti n GLU 42 Cb 0.59 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.42 1nti n GLU 42 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1nti s ARG 43 N -1.07 4.69 0.87 3.49 3.52 -1.26 -5.02 118.95 124.17 1nti s ARG 43 Ca 0.00 1.70 -0.11 0.00 -0.13 0.00 0.00 55.73 57.19 1nti s ARG 43 Cb 0.00 -3.23 0.12 0.00 -1.56 0.00 0.00 34.95 30.28 1nti s ARG 43 CO 0.00 0.28 1.18 -1.25 -0.81 0.00 0.00 175.30 174.69 1nti s PRO 44 N -1.20 1.27 0.00 5.12 0.04 -1.26 -5.05 135.00 133.91 1nti s PRO 44 Ca 0.44 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1nti s PRO 44 Cb -0.30 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1nti s PRO 44 CO 0.38 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1nti n GLY 45 N 0.36 5.35 0.29 0.56 0.00 -1.26 -4.92 105.19 105.57 1nti n GLY 45 Ca 0.13 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 -3.39 1.61 0.00 -1.26 -4.09 117.12 109.99 1nti n MET 46 Ca 0.00 0.52 -0.43 0.00 0.00 0.00 0.00 57.70 57.78 1nti n MET 46 Cb 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 33.22 31.87 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 -4.95 5.14 -0.94 3.17 1.43 -1.26 -5.00 118.68 116.27 1nti s LEU 47 Ca -0.02 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1nti s LEU 47 Cb 0.09 -2.24 0.33 0.00 0.03 0.00 0.00 46.19 44.40 1nti s LEU 47 CO 0.30 -0.54 1.72 0.47 0.23 0.00 0.00 176.35 178.52 1nti n ASP 48 N 5.33 6.95 -0.20 2.29 8.00 -1.26 -4.27 116.55 133.40 1nti n ASP 48 Ca -0.10 -3.70 0.02 0.00 0.71 0.00 0.00 54.79 51.72 1nti n ASP 48 Cb 0.46 -1.07 0.03 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.14 0.03 0.17 1.24 3.72 -1.26 -4.54 117.46 116.68 1nti n PHE 49 Ca 0.45 -0.08 0.12 0.00 -0.05 0.00 0.00 57.45 57.89 1nti n PHE 49 Cb 0.28 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.85 1nti n PHE 49 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nti h LYS 50 N 0.89 0.00 0.00 -1.08 3.64 -1.99 -3.47 116.57 114.56 1nti h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nti h LYS 50 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1nti h LYS 50 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1nti n GLY 51 N 1.19 1.61 0.26 5.01 0.00 -1.26 -4.94 105.19 107.06 1nti n GLY 51 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.28 -0.06 0.42 1.61 4.81 -1.26 0.74 118.16 124.14 1nti n LYS 52 Ca 0.00 1.13 -0.20 0.00 -0.87 0.00 0.00 58.31 58.37 1nti n LYS 52 Cb 0.00 -1.79 -0.10 0.00 0.02 0.00 0.00 35.03 33.16 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 1.50 -1.23 -0.79 3.14 0.00 -1.95 0.16 119.26 120.10 1nti h ALA 53 Ca 0.46 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1nti h ALA 53 Cb 0.94 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1nti h ALA 53 CO -0.71 -1.21 0.44 0.87 0.00 0.00 0.00 179.25 178.64 1nti h LYS 54 N -1.18 0.72 0.84 0.00 6.56 -0.07 0.41 116.57 123.85 1nti h LYS 54 Ca -0.10 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.40 1nti h LYS 54 Cb 0.95 -0.16 0.01 0.00 -0.57 0.00 0.00 32.23 32.45 1nti h LYS 54 CO 0.10 0.48 -0.40 2.35 -2.06 0.00 0.00 179.45 179.91 1nti h TRP 55 N 0.74 -1.05 -0.55 -1.35 7.01 -0.52 -0.65 115.95 119.59 1nti h TRP 55 Ca 0.38 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.41 1nti h TRP 55 Cb 0.36 0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 1nti h TRP 55 CO -0.07 -0.64 0.27 -0.44 -2.79 0.00 0.00 178.44 174.77 1nti h ASP 56 N -1.25 0.37 -0.77 2.65 3.32 -0.46 0.21 116.42 120.49 1nti h ASP 56 Ca -0.12 0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.10 1nti h ASP 56 Cb 0.87 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1nti h ASP 56 CO 0.19 0.25 0.51 0.00 -1.72 0.00 0.00 179.24 178.47 1nti h ALA 57 N 1.31 1.94 0.09 3.45 0.00 -0.07 0.29 119.26 126.27 1nti h ALA 57 Ca 0.25 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1nti h ALA 57 Cb 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nti h ALA 57 CO -0.19 -0.13 -0.54 2.35 0.00 0.00 0.00 179.25 180.73 1nti h TRP 58 N 0.56 0.33 -0.91 0.00 7.01 0.42 -3.27 115.95 120.09 1nti h TRP 58 Ca 0.37 -0.24 0.25 0.00 2.11 0.00 0.00 58.89 61.38 1nti h TRP 58 Cb 0.67 -0.01 -0.14 0.00 -2.10 0.00 0.00 29.16 27.57 1nti h TRP 58 CO -0.00 1.21 0.34 -0.97 -2.79 0.00 0.00 178.44 176.22 1nti h ASN 59 N -0.61 0.17 -1.07 2.65 -1.24 0.72 0.67 115.58 116.86 1nti h ASN 59 Ca -0.10 0.19 0.29 0.00 0.71 0.00 0.00 56.30 57.39 1nti h ASN 59 Cb 1.40 0.21 -0.09 0.00 0.73 0.00 0.00 38.32 40.58 1nti h ASN 59 CO 0.09 -0.12 0.70 -0.08 -1.29 0.00 0.00 177.43 176.72 1nti h GLU 60 N 0.27 0.31 -0.00 6.67 4.81 -0.53 0.37 114.58 126.49 1nti h GLU 60 Ca 0.59 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1nti h GLU 60 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1nti h GLU 60 CO -0.62 0.21 -0.78 1.28 -0.73 0.00 0.00 179.01 178.36 1nti n LEU 61 N -4.58 0.81 0.00 1.64 4.77 0.22 -4.82 117.00 115.04 1nti n LEU 61 Ca 0.26 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1nti n LEU 61 Cb 0.96 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1nti n LEU 61 CO 0.27 0.20 0.00 1.17 -1.33 0.00 0.00 177.39 177.70 1nti n LYS 62 N -1.47 0.00 -0.10 3.23 4.81 0.13 0.23 118.16 124.99 1nti n LYS 62 Ca 0.05 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1nti n LYS 62 Cb 0.33 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.41 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 -0.77 1.16 3.70 3.14 0.00 -1.26 -3.76 105.19 107.40 1nti n GLY 63 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.90 4.02 -0.14 2.61 2.01 0.14 -4.87 115.64 118.52 1nti s THR 64 Ca 0.06 1.43 -0.12 0.00 0.31 0.00 0.00 61.69 63.36 1nti s THR 64 Cb 0.05 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1nti s THR 64 CO 0.01 0.07 0.55 -0.24 -0.69 0.00 0.00 174.62 174.32 1nti n SER 65 N 4.42 0.24 -0.17 3.53 2.88 -1.26 -4.73 113.62 118.54 1nti n SER 65 Ca 0.10 0.23 0.22 0.00 -1.33 0.00 0.00 58.87 58.09 1nti n SER 65 Cb 0.46 -0.25 0.62 0.00 -0.75 0.00 0.00 64.21 64.29 1nti n SER 65 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1nti h LYS 66 N 2.19 0.19 -0.21 -1.46 1.57 -1.89 0.35 116.57 117.31 1nti h LYS 66 Ca -0.05 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1nti h LYS 66 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nti h LYS 66 CO 0.29 0.13 -0.46 0.93 -0.57 0.00 0.00 179.45 179.77 1nti h GLU 67 N 0.20 0.68 -0.28 3.15 5.08 -1.93 -0.20 114.58 121.28 1nti h GLU 67 Ca 0.41 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1nti h GLU 67 Cb 1.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1nti h GLU 67 CO -0.08 1.07 0.18 -0.44 -1.00 0.00 0.00 179.01 178.74 1nti h ASP 68 N 0.38 0.32 0.26 1.42 5.19 -0.73 0.26 116.42 123.52 1nti h ASP 68 Ca 0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1nti h ASP 68 Cb 1.06 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 1nti h ASP 68 CO 0.10 0.24 -0.41 0.00 -3.12 0.00 0.00 179.24 176.05 1nti h ALA 69 N 1.10 -1.00 -0.93 3.45 0.00 -0.94 0.20 119.26 121.14 1nti h ALA 69 Ca 0.10 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1nti h ALA 69 Cb -0.04 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1nti h ALA 69 CO -0.02 -1.06 -0.56 0.52 0.00 0.00 0.00 179.25 178.13 1nti h MET 70 N -0.71 -0.01 -0.04 0.00 2.86 -0.24 0.23 114.93 117.01 1nti h MET 70 Ca -0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1nti h MET 70 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1nti h MET 70 CO -0.13 -0.01 -0.14 0.87 1.06 0.00 0.00 176.91 178.56 1nti h LYS 71 N -0.01 -0.15 -0.62 1.72 6.56 0.20 0.31 116.57 124.58 1nti h LYS 71 Ca 0.15 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.88 1nti h LYS 71 Cb 0.40 0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 31.99 1nti h LYS 71 CO -0.88 -0.10 0.06 0.00 -2.06 0.00 0.00 179.45 176.48 1nti h ALA 72 N -1.12 0.68 0.70 3.86 0.00 -0.26 -0.53 119.26 122.60 1nti h ALA 72 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 72 Cb 0.18 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nti h ALA 72 CO -0.12 -0.36 -0.36 -0.92 0.00 0.00 0.00 179.25 177.49 1nti h TYR 73 N 0.18 -0.95 -0.05 0.00 5.03 -0.19 0.23 116.97 121.22 1nti h TYR 73 Ca 0.33 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.66 1nti h TYR 73 Cb 0.53 0.32 -0.06 0.00 1.55 0.00 0.00 36.73 39.07 1nti h TYR 73 CO -0.31 -0.57 -0.42 0.82 -1.32 0.00 0.00 178.16 176.36 1nti h ILE 74 N -0.98 0.15 -0.31 1.81 2.04 0.20 0.33 117.51 120.75 1nti h ILE 74 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1nti h ILE 74 Cb 0.76 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1nti h ILE 74 CO 0.14 0.00 0.06 0.44 0.00 0.00 0.00 178.15 178.79 1nti h ASP 75 N -0.54 0.02 -0.45 1.72 3.32 -1.11 0.28 116.42 119.65 1nti h ASP 75 Ca 0.06 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.25 1nti h ASP 75 Cb 0.64 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 1nti h ASP 75 CO -0.34 0.05 -0.20 0.50 -1.72 0.00 0.00 179.24 177.52 1nti h LYS 76 N 0.18 -0.10 0.06 3.56 1.63 0.12 0.19 116.57 122.21 1nti h LYS 76 Ca 0.14 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1nti h LYS 76 Cb 0.15 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1nti h LYS 76 CO -0.19 -0.07 -0.03 0.28 -3.45 0.00 0.00 179.45 176.00 1nti h VAL 77 N -0.10 1.08 -0.81 2.00 2.07 0.62 0.36 116.25 121.47 1nti h VAL 77 Ca 0.22 -0.48 0.19 0.00 0.82 0.00 0.00 66.70 67.45 1nti h VAL 77 Cb 0.44 1.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.46 1nti h VAL 77 CO -0.52 0.12 0.01 -0.08 0.02 0.00 0.00 177.57 177.12 1nti h GLU 78 N -0.29 0.09 0.10 1.57 4.57 0.28 0.37 114.58 121.27 1nti h GLU 78 Ca -0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1nti h GLU 78 Cb 0.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1nti h GLU 78 CO 0.01 0.06 -0.05 0.93 -1.18 0.00 0.00 179.01 178.79 1nti h GLU 79 N 0.09 -0.13 -0.52 1.92 4.39 -0.25 -1.57 114.58 118.51 1nti h GLU 79 Ca 0.45 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.26 1nti h GLU 79 Cb 0.82 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.39 1nti h GLU 79 CO -0.72 0.14 -0.28 -0.07 -1.16 0.00 0.00 179.01 176.92 1nti h LEU 80 N -0.40 -0.97 -0.93 1.33 3.38 0.33 1.09 115.31 119.13 1nti h LEU 80 Ca -0.01 0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.33 1nti h LEU 80 Cb 0.34 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 1nti h LEU 80 CO 0.02 -0.28 0.52 0.50 0.09 0.00 0.00 178.44 179.29 1nti h LYS 81 N -0.15 0.68 0.04 1.13 3.11 -0.28 0.36 116.57 121.45 1nti h LYS 81 Ca 0.23 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1nti h LYS 81 Cb 0.52 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1nti h LYS 81 CO -0.62 0.45 -0.02 0.87 -2.81 0.00 0.00 179.45 177.33 1nti h LYS 82 N 0.70 -0.05 -0.39 1.90 1.57 0.21 0.40 116.57 120.91 1nti h LYS 82 Ca 0.52 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.37 1nti h LYS 82 Cb 0.78 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1nti h LYS 82 CO -0.38 0.21 0.05 -0.22 -0.57 0.00 0.00 179.45 178.55 1nti h LYS 83 N -0.31 0.16 0.00 3.15 1.63 0.16 -3.33 116.57 118.04 1nti h LYS 83 Ca -0.01 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.65 1nti h LYS 83 Cb 0.28 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 1nti h LYS 83 CO 0.01 0.11 -1.82 0.66 -3.45 0.00 0.00 179.45 174.96 1nti n TYR 84 N -5.13 0.00 0.00 1.91 4.01 0.10 -5.06 117.16 113.00 1nti n TYR 84 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1nti n TYR 84 Cb 0.19 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.92 2.36 0.00 2.72 0.00 0.14 -4.90 105.19 107.42 1nti n GLY 85 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83