#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 3.18 0.00 1.43 6.02 -1.26 -5.09 117.38 121.67 1nti n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1nti n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nti n ALA 3 N -3.00 0.00 -0.00 -1.58 0.00 -1.26 -4.74 120.51 109.93 1nti n ALA 3 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nti n ALA 3 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.00 -0.52 0.00 4.39 -2.01 -1.74 114.58 114.69 1nti h GLU 4 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1nti h GLU 4 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1nti h GLU 4 CO 0.00 -0.00 -0.31 0.34 -1.16 0.00 0.00 179.01 177.88 1nti n PHE 5 N -2.66 -0.23 0.05 4.33 7.35 -1.26 0.40 117.46 125.44 1nti n PHE 5 Ca -0.00 0.65 -0.11 0.00 -0.76 0.00 0.00 57.45 57.23 1nti n PHE 5 Cb 0.00 -0.53 -0.04 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 -0.73 -0.65 -2.13 5.19 -1.80 0.21 116.42 116.52 1nti h ASP 6 Ca 0.08 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.72 1nti h ASP 6 Cb 0.21 0.30 -0.09 0.00 0.18 0.00 0.00 39.33 39.93 1nti h ASP 6 CO -0.49 -0.31 0.16 0.50 -3.12 0.00 0.00 179.24 175.98 1nti h LYS 7 N -0.37 0.28 0.35 3.56 3.64 0.68 0.39 116.57 125.10 1nti h LYS 7 Ca 0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nti h LYS 7 Cb 0.46 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1nti h LYS 7 CO -0.23 0.19 -0.40 0.00 -2.27 0.00 0.00 179.45 176.74 1nti h ALA 8 N 1.51 -0.84 -0.92 5.00 0.00 0.14 0.27 119.26 124.42 1nti h ALA 8 Ca 0.34 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1nti h ALA 8 Cb 0.53 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1nti h ALA 8 CO -0.42 -1.02 0.59 0.00 0.00 0.00 0.00 179.25 178.40 1nti h ALA 9 N -0.39 1.73 -0.24 0.00 0.00 0.48 0.39 119.26 121.24 1nti h ALA 9 Ca -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1nti h ALA 9 Cb 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nti h ALA 9 CO -0.09 0.03 -0.32 1.49 0.00 0.00 0.00 179.25 180.36 1nti h GLU 10 N 0.79 0.64 -0.29 0.00 4.81 0.58 -1.82 114.58 119.29 1nti h GLU 10 Ca 0.46 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1nti h GLU 10 Cb 0.64 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1nti h GLU 10 CO -0.22 0.98 -0.20 0.93 -0.73 0.00 0.00 179.01 179.76 1nti h GLU 11 N 0.35 0.65 -0.19 1.92 5.08 0.48 -2.96 114.58 119.92 1nti h GLU 11 Ca 0.03 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1nti h GLU 11 Cb 0.90 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 1nti h GLU 11 CO 0.07 0.91 -0.17 -0.24 -1.00 0.00 0.00 179.01 178.58 1nti h VAL 12 N 0.39 0.54 0.00 3.13 3.04 -0.22 0.44 116.25 123.56 1nti h VAL 12 Ca 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1nti h VAL 12 Cb 0.75 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1nti h VAL 12 CO 0.05 0.00 0.03 0.29 -1.01 0.00 0.00 177.57 176.94 1nti n LYS 13 N -5.32 0.00 -0.85 4.17 5.02 -0.69 -0.63 118.16 119.85 1nti n LYS 13 Ca -0.02 0.07 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1nti n LYS 13 Cb 0.24 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.95 0.00 -1.56 2.13 8.25 0.14 -5.09 115.22 118.14 1nti n HIS 14 Ca 0.00 -0.18 -0.40 0.00 -0.26 0.00 0.00 57.72 56.88 1nti n HIS 14 Cb 0.03 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.08 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 0.18 2.12 0.02 2.41 4.77 0.20 -4.84 117.00 121.84 1nti n LEU 15 Ca 0.02 0.91 0.05 0.00 -0.03 0.00 0.00 56.01 56.97 1nti n LEU 15 Cb 0.86 -1.29 0.45 0.00 -2.33 0.00 0.00 43.42 41.11 1nti n LEU 15 CO -0.01 -2.06 1.16 0.50 -1.33 0.00 0.00 177.39 175.64 1nti h LYS 16 N 0.96 0.47 -5.43 3.23 3.64 -1.70 -3.44 116.57 114.31 1nti h LYS 16 Ca -0.45 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.30 1nti h LYS 16 Cb 1.36 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 1nti h LYS 16 CO 0.53 0.31 -0.58 0.99 -2.27 0.00 0.00 179.45 178.44 1nti s THR 17 N -5.44 1.55 -0.22 1.00 2.01 -1.26 -5.05 115.64 108.23 1nti s THR 17 Ca -0.08 -2.00 -0.18 0.00 0.31 0.00 0.00 61.69 59.74 1nti s THR 17 Cb 0.18 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1nti s THR 17 CO 0.73 0.00 0.52 -0.54 -0.69 0.00 0.00 174.62 174.64 1nti s LYS 18 N -3.78 4.15 1.00 4.92 1.02 -1.26 -5.06 119.74 120.73 1nti s LYS 18 Ca 0.28 0.40 -0.17 0.00 0.02 0.00 0.00 55.97 56.49 1nti s LYS 18 Cb 0.07 -3.59 0.23 0.00 -0.52 0.00 0.00 37.83 34.02 1nti s LYS 18 CO 0.14 -0.22 1.35 -0.35 -0.92 0.00 0.00 175.35 175.35 1nti n PRO 19 N 5.05 -1.36 -3.69 -1.68 -0.04 -1.26 -5.06 135.00 126.96 1nti n PRO 19 Ca -0.04 -2.09 -0.28 0.00 -0.04 0.00 0.00 63.50 61.04 1nti n PRO 19 Cb 0.50 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.96 3.82 0.06 0.55 0.00 -1.26 -4.89 121.76 116.09 1nti s ALA 20 Ca 0.77 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1nti s ALA 20 Cb -0.02 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1nti s ALA 20 CO 0.54 0.48 1.04 -0.25 0.00 0.00 0.00 175.76 177.57 1nti n ASP 21 N -0.52 -0.42 0.10 0.00 8.00 -1.26 -0.54 116.55 121.90 1nti n ASP 21 Ca -0.04 1.14 0.16 0.00 0.71 0.00 0.00 54.79 56.76 1nti n ASP 21 Cb 0.53 -0.31 0.68 0.00 -0.02 0.00 0.00 41.12 42.01 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nti h GLU 22 N 0.00 0.00 0.01 -1.24 5.08 -1.97 0.24 114.58 116.69 1nti h GLU 22 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nti h GLU 22 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1nti h GLU 22 CO -0.37 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 178.57 1nti h GLU 23 N 0.00 -0.01 -0.65 2.33 4.39 -1.39 0.42 114.58 119.67 1nti h GLU 23 Ca 0.16 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1nti h GLU 23 Cb 0.66 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 1nti h GLU 23 CO -0.00 0.85 0.32 0.00 -1.16 0.00 0.00 179.01 179.02 1nti h MET 24 N -0.92 0.56 -0.63 2.33 -0.00 -0.21 0.33 114.93 116.39 1nti h MET 24 Ca -0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 59.70 59.70 1nti h MET 24 Cb 0.86 -0.13 -0.04 0.00 -0.00 0.00 0.00 31.60 32.29 1nti h MET 24 CO 0.00 0.37 0.39 -0.07 -0.00 0.00 0.00 176.91 177.60 1nti h LEU 25 N 0.57 0.63 -0.26 -0.10 3.38 -0.51 0.44 115.31 119.46 1nti h LEU 25 Ca 0.31 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1nti h LEU 25 Cb 0.29 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1nti h LEU 25 CO -0.24 0.43 -0.08 0.15 0.09 0.00 0.00 178.44 178.79 1nti h PHE 26 N 0.76 -0.19 0.00 1.13 3.04 0.33 0.20 116.94 122.21 1nti h PHE 26 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1nti h PHE 26 Cb 0.04 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1nti h PHE 26 CO -0.05 -0.14 0.00 -0.89 -2.02 0.00 0.00 178.31 175.21 1nti n ILE 27 N -5.25 0.00 -0.05 1.41 -0.00 0.70 -0.43 119.36 115.74 1nti n ILE 27 Ca -0.01 1.18 -0.01 0.00 -0.00 0.00 0.00 62.75 63.91 1nti n ILE 27 Cb 0.17 -2.14 -0.01 0.00 -0.00 0.00 0.00 39.64 37.66 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 -1.12 -0.06 0.00 1.39 9.36 0.15 0.40 117.16 127.27 1nti n TYR 28 Ca 0.00 0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1nti n TYR 28 Cb 0.00 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.26 1nti n TYR 28 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1nti n SER 29 N -3.91 0.00 -0.41 2.98 3.41 0.67 -0.57 113.62 115.80 1nti n SER 29 Ca 0.00 0.73 0.33 0.00 -0.26 0.00 0.00 58.87 59.68 1nti n SER 29 Cb 0.03 -0.29 0.63 0.00 -0.26 0.00 0.00 64.21 64.32 1nti n SER 29 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1nti h HIS 30 N 0.00 0.46 0.65 7.33 3.86 -0.04 0.18 115.15 127.59 1nti h HIS 30 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1nti h HIS 30 Cb 0.00 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.35 1nti h HIS 30 CO 0.12 -0.08 -0.31 -0.92 0.86 0.00 0.00 177.93 177.59 1nti h TYR 31 N 0.17 -0.81 -0.93 2.45 3.20 -0.03 0.43 116.97 121.45 1nti h TYR 31 Ca 0.72 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.75 1nti h TYR 31 Cb 2.28 0.27 -0.10 0.00 1.54 0.00 0.00 36.73 40.71 1nti h TYR 31 CO -0.00 -0.47 0.51 0.87 -1.64 0.00 0.00 178.16 177.43 1nti h LYS 32 N -1.14 0.65 -0.64 1.82 1.79 0.18 0.74 116.57 119.96 1nti h LYS 32 Ca -0.09 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 1nti h LYS 32 Cb 0.71 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1nti h LYS 32 CO 0.15 0.43 0.14 0.37 -1.08 0.00 0.00 179.45 179.46 1nti h GLN 33 N 0.67 1.04 -0.19 3.15 5.75 -0.64 0.17 115.11 125.06 1nti h GLN 33 Ca 0.53 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1nti h GLN 33 Cb 0.81 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1nti h GLN 33 CO -0.39 0.95 0.00 0.00 -2.65 0.00 0.00 178.83 176.74 1nti n ALA 34 N -2.44 2.51 0.00 3.38 0.00 0.15 -3.03 120.51 121.08 1nti n ALA 34 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.00 1nti n ALA 34 Cb 0.26 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1nti n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nti n THR 35 N 0.18 0.54 -0.05 0.00 -2.24 0.22 -4.90 114.28 108.03 1nti n THR 35 Ca 0.13 0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.97 1nti n THR 35 Cb 0.26 -1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 66.85 1nti n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nti n VAL 36 N -3.28 0.62 0.00 2.28 0.31 0.43 -5.07 118.33 113.62 1nti n VAL 36 Ca -0.04 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1nti n VAL 36 Cb 0.36 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 2.64 0.38 3.23 2.92 0.00 -0.20 -5.01 105.19 109.15 1nti n GLY 37 Ca -0.17 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.75 -4.50 1.61 9.92 -1.21 -3.35 116.55 116.27 1nti n ASP 38 Ca 0.00 -0.33 -0.42 0.00 -0.53 0.00 0.00 54.79 53.51 1nti n ASP 38 Cb 0.00 -0.96 -0.09 0.00 -0.64 0.00 0.00 41.12 39.42 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 5.17 -0.04 0.53 2.07 -1.26 -4.79 121.20 120.68 1nti s ILE 39 Ca 0.55 -0.30 0.06 0.00 -1.41 0.00 0.00 60.65 59.56 1nti s ILE 39 Cb -0.13 -3.92 0.09 0.00 0.13 0.00 0.00 42.46 38.63 1nti s ILE 39 CO 0.57 -0.26 1.04 -0.46 -1.91 0.00 0.00 174.94 173.91 1nti n ASN 40 N 5.39 0.76 -4.62 4.50 6.94 -1.26 -5.01 115.26 121.96 1nti n ASN 40 Ca -0.09 -2.33 -0.30 0.00 -0.02 0.00 0.00 54.58 51.84 1nti n ASN 40 Cb 0.48 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.92 1.33 0.00 5.53 -4.23 -1.26 -5.02 115.64 111.07 1nti s THR 41 Ca 0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1nti s THR 41 Cb 0.09 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1nti s THR 41 CO 0.01 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.47 1nti n GLU 42 N -1.09 0.00 -0.53 3.99 -0.58 -1.26 -4.92 120.64 116.25 1nti n GLU 42 Ca -0.12 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.37 1nti n GLU 42 Cb 0.67 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.49 1nti n GLU 42 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1nti n ARG 43 N 0.00 0.00 0.00 3.49 0.63 -1.26 -4.64 116.66 114.88 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 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 2.69 0.00 0.00 -0.14 -0.02 -1.26 -4.71 135.00 131.56 1nti n PRO 44 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1nti n PRO 44 Cb -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.46 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 -0.28 0.88 0.00 -1.23 0.00 -1.26 -4.70 105.19 98.61 1nti n GLY 45 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.28 -1.56 1.61 2.81 -1.26 -5.09 117.12 116.91 1nti n MET 46 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1nti n MET 46 Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.61 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 0.00 2.53 0.00 4.03 1.43 -1.26 -5.04 118.68 120.36 1nti s LEU 47 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1nti s LEU 47 Cb 0.00 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1nti s LEU 47 CO 0.00 -2.03 0.00 -0.67 0.23 0.00 0.00 176.35 173.88 1nti n ASP 48 N -3.47 0.00 0.00 2.29 2.03 -1.26 -5.04 116.55 111.11 1nti n ASP 48 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1nti n ASP 48 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1nti n ASP 48 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1nti n PHE 49 N -1.85 -0.48 0.79 -0.67 3.72 -1.26 -4.86 117.46 112.85 1nti n PHE 49 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1nti n PHE 49 Cb 0.00 0.46 0.04 0.00 -0.94 0.00 0.00 39.48 39.04 1nti n PHE 49 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1nti n LYS 50 N -2.42 1.34 0.05 -1.08 2.85 -1.26 -3.57 118.16 114.08 1nti n LYS 50 Ca 0.00 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 1nti n LYS 50 Cb 0.00 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 1nti n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nti n GLY 51 N 0.14 -0.10 0.33 2.58 0.00 -1.26 -4.70 105.19 102.18 1nti n GLY 51 Ca 0.04 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.34 1nti n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nti h LYS 52 N 0.00 0.04 0.00 1.61 2.10 -1.89 0.81 116.57 119.24 1nti h LYS 52 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nti h LYS 52 Cb 0.24 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1nti h LYS 52 CO 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.48 1nti n ALA 53 N -2.42 -0.37 -0.34 0.07 0.00 -1.23 -0.94 120.51 115.27 1nti n ALA 53 Ca 0.34 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.87 1nti n ALA 53 Cb 1.15 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.79 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 -1.67 -0.08 0.37 0.00 4.01 0.09 0.36 118.16 121.23 1nti n LYS 54 Ca 0.00 1.46 -0.15 0.00 -0.51 0.00 0.00 58.31 59.12 1nti n LYS 54 Cb 0.00 -2.24 -0.07 0.00 -0.51 0.00 0.00 35.03 32.21 1nti n LYS 54 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 1nti h TRP 55 N 0.00 -0.88 -0.96 2.13 7.01 -1.01 -0.59 115.95 121.65 1nti h TRP 55 Ca 0.50 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.58 1nti h TRP 55 Cb 0.88 0.29 -0.08 0.00 -2.10 0.00 0.00 29.16 28.16 1nti h TRP 55 CO -0.64 -0.55 0.60 -0.44 -2.79 0.00 0.00 178.44 174.63 1nti h ASP 56 N -1.05 0.92 -0.95 2.65 3.32 -0.46 0.19 116.42 121.03 1nti h ASP 56 Ca -0.10 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.14 1nti h ASP 56 Cb 0.73 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 1nti h ASP 56 CO 0.16 0.54 0.60 0.00 -1.72 0.00 0.00 179.24 178.82 1nti h ALA 57 N 1.49 1.74 0.08 3.45 0.00 0.11 0.34 119.26 126.47 1nti h ALA 57 Ca 0.45 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.23 1nti h ALA 57 Cb 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nti h ALA 57 CO -0.23 -0.02 -0.70 2.35 0.00 0.00 0.00 179.25 180.66 1nti h TRP 58 N 0.77 0.54 -0.85 0.00 7.01 0.77 -3.24 115.95 120.95 1nti h TRP 58 Ca 0.49 -0.35 0.22 0.00 2.11 0.00 0.00 58.89 61.36 1nti h TRP 58 Cb 0.74 -0.04 -0.14 0.00 -2.10 0.00 0.00 29.16 27.62 1nti h TRP 58 CO -0.00 1.23 0.13 -0.97 -2.79 0.00 0.00 178.44 176.04 1nti h ASN 59 N -0.30 -0.18 -0.88 2.65 -1.24 0.18 0.38 115.58 116.18 1nti h ASN 59 Ca -0.11 0.21 0.25 0.00 0.71 0.00 0.00 56.30 57.36 1nti h ASN 59 Cb 1.49 0.32 -0.04 0.00 0.73 0.00 0.00 38.32 40.83 1nti h ASN 59 CO 0.13 -0.19 0.80 -0.08 -1.29 0.00 0.00 177.43 176.81 1nti h GLU 60 N 0.14 0.00 -0.01 6.67 4.81 -0.48 0.40 114.58 126.11 1nti h GLU 60 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1nti h GLU 60 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1nti h GLU 60 CO -0.70 0.00 -0.23 1.28 -0.73 0.00 0.00 179.01 178.63 1nti n LEU 61 N -3.76 1.88 0.00 1.64 4.77 0.13 -4.88 117.00 116.77 1nti n LEU 61 Ca 0.19 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1nti n LEU 61 Cb 1.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1nti n LEU 61 CO 0.31 0.35 0.00 1.17 -1.33 0.00 0.00 177.39 177.89 1nti n LYS 62 N 0.21 0.00 -0.43 3.23 4.81 0.14 0.11 118.16 126.22 1nti n LYS 62 Ca 0.08 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1nti n LYS 62 Cb 0.37 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.68 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 -0.97 4.07 3.57 3.14 0.00 -1.26 -3.33 105.19 110.40 1nti n GLY 63 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.84 3.74 -0.02 2.61 2.01 0.12 -4.88 115.64 116.37 1nti s THR 64 Ca 0.42 0.58 -0.05 0.00 0.31 0.00 0.00 61.69 62.96 1nti s THR 64 Cb 0.34 -4.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1nti s THR 64 CO 0.09 -1.26 0.15 -0.24 -0.69 0.00 0.00 174.62 172.66 1nti n SER 65 N 9.84 0.05 -0.33 3.53 2.88 -1.26 -4.53 113.62 123.80 1nti n SER 65 Ca 0.12 0.13 0.24 0.00 -1.33 0.00 0.00 58.87 58.03 1nti n SER 65 Cb 0.49 -0.10 0.46 0.00 -0.75 0.00 0.00 64.21 64.31 1nti n SER 65 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1nti n LYS 66 N 0.28 -0.07 0.08 -1.46 2.85 -1.26 -0.44 118.16 118.14 1nti n LYS 66 Ca 0.03 1.42 -0.15 0.00 -1.05 0.00 0.00 58.31 58.56 1nti n LYS 66 Cb 0.00 -2.42 -0.08 0.00 -0.65 0.00 0.00 35.03 31.89 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 0.00 0.39 -0.97 -1.58 5.08 -1.88 0.24 114.58 115.87 1nti h GLU 67 Ca 0.74 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 1nti h GLU 67 Cb 1.80 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 31.13 1nti h GLU 67 CO -0.84 1.16 0.62 -0.44 -1.00 0.00 0.00 179.01 178.51 1nti h ASP 68 N 0.19 0.98 0.44 1.42 5.19 -1.05 0.41 116.42 124.00 1nti h ASP 68 Ca -0.10 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1nti h ASP 68 Cb 1.71 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1nti h ASP 68 CO 0.18 0.61 -0.21 0.00 -3.12 0.00 0.00 179.24 176.70 1nti h ALA 69 N 1.45 -0.59 -0.47 3.45 0.00 -1.34 0.21 119.26 121.97 1nti h ALA 69 Ca 0.43 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1nti h ALA 69 Cb 0.21 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1nti h ALA 69 CO -0.19 -0.68 -0.53 0.52 0.00 0.00 0.00 179.25 178.37 1nti h MET 70 N -0.89 -0.31 0.01 0.00 2.86 0.88 0.21 114.93 117.69 1nti h MET 70 Ca -0.06 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1nti h MET 70 Cb 0.57 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1nti h MET 70 CO 0.10 -0.21 -0.10 0.87 1.06 0.00 0.00 176.91 178.63 1nti h LYS 71 N -0.32 -0.13 -0.91 1.72 1.79 -0.24 0.42 116.57 118.90 1nti h LYS 71 Ca 0.08 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.78 1nti h LYS 71 Cb 0.54 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.10 1nti h LYS 71 CO -0.61 -0.09 0.44 0.00 -1.08 0.00 0.00 179.45 178.11 1nti h ALA 72 N -1.31 1.50 -0.12 3.86 0.00 -0.39 -0.60 119.26 122.19 1nti h ALA 72 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nti h ALA 72 Cb 0.14 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nti h ALA 72 CO -0.06 -0.31 0.01 -0.92 0.00 0.00 0.00 179.25 177.97 1nti h TYR 73 N 0.45 0.21 0.07 0.00 5.03 -0.11 0.23 116.97 122.85 1nti h TYR 73 Ca 0.57 -0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.87 1nti h TYR 73 Cb 1.07 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 39.24 1nti h TYR 73 CO -0.11 0.40 -0.43 0.82 -1.32 0.00 0.00 178.16 177.53 1nti h ILE 74 N -0.05 0.14 -0.10 1.81 2.04 0.13 0.22 117.51 121.71 1nti h ILE 74 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1nti h ILE 74 Cb 0.31 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1nti h ILE 74 CO 0.00 0.00 -0.18 0.44 0.00 0.00 0.00 178.15 178.41 1nti h ASP 75 N -0.63 -0.56 -0.66 1.72 5.19 -1.16 0.26 116.42 120.58 1nti h ASP 75 Ca 0.03 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.66 1nti h ASP 75 Cb 0.67 0.25 -0.13 0.00 0.18 0.00 0.00 39.33 40.31 1nti h ASP 75 CO -0.28 -0.24 -0.23 0.50 -3.12 0.00 0.00 179.24 175.88 1nti h LYS 76 N -0.25 -0.06 0.14 3.56 1.63 0.64 0.11 116.57 122.34 1nti h LYS 76 Ca 0.09 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1nti h LYS 76 Cb 0.37 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1nti h LYS 76 CO -0.24 -0.04 -0.07 0.28 -3.45 0.00 0.00 179.45 175.94 1nti h VAL 77 N -0.06 1.03 -0.86 2.00 2.07 0.07 0.18 116.25 120.69 1nti h VAL 77 Ca 0.30 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 67.06 1nti h VAL 77 Cb 0.52 1.57 -0.15 0.00 -1.52 0.00 0.00 31.29 31.72 1nti h VAL 77 CO -0.70 0.21 -0.29 -0.62 0.02 0.00 0.00 177.57 176.19 1nti n GLU 78 N -4.97 -0.15 0.18 1.57 -0.58 0.85 0.46 120.64 118.00 1nti n GLU 78 Ca -0.09 1.33 -0.11 0.00 -0.42 0.00 0.00 57.16 57.88 1nti n GLU 78 Cb 0.25 -1.98 -0.06 0.00 -0.57 0.00 0.00 31.44 29.08 1nti n GLU 78 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1nti h GLU 79 N 0.00 -0.51 -1.13 3.49 4.39 -0.74 -0.93 114.58 119.15 1nti h GLU 79 Ca 0.35 0.03 0.33 0.00 0.34 0.00 0.00 59.36 60.41 1nti h GLU 79 Cb 0.56 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 1nti h GLU 79 CO -0.87 -0.23 0.81 -0.07 -1.16 0.00 0.00 179.01 177.49 1nti h LEU 80 N -1.04 0.03 -0.06 1.33 3.38 0.15 0.29 115.31 119.40 1nti h LEU 80 Ca -0.05 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1nti h LEU 80 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1nti h LEU 80 CO 0.09 0.01 -0.44 0.50 0.09 0.00 0.00 178.44 178.69 1nti h LYS 81 N 0.03 0.40 -0.61 1.13 3.64 0.16 0.25 116.57 121.56 1nti h LYS 81 Ca 0.55 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1nti h LYS 81 Cb 2.12 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 34.00 1nti h LYS 81 CO -0.03 1.00 0.03 0.87 -2.27 0.00 0.00 179.45 179.05 1nti h LYS 82 N -0.09 1.05 0.18 1.90 1.57 0.84 0.40 116.57 122.42 1nti h LYS 82 Ca -0.04 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1nti h LYS 82 Cb 1.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1nti h LYS 82 CO 0.09 1.01 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.67 1nti h LYS 83 N 0.96 -0.23 0.00 3.15 3.64 -0.55 -3.37 116.57 120.17 1nti h LYS 83 Ca 0.18 0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.22 1nti h LYS 83 Cb 0.52 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1nti h LYS 83 CO 0.03 -0.09 -2.34 0.66 -2.27 0.00 0.00 179.45 175.43 1nti n TYR 84 N -5.16 0.00 0.00 1.91 4.01 0.86 -5.08 117.16 113.71 1nti n TYR 84 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1nti n TYR 84 Cb 0.14 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.21 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 1.82 1.59 0.00 2.72 0.00 0.14 -4.45 105.19 107.00 1nti n GLY 85 Ca -0.32 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83