#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n ILE 3 N 0.00 1.07 -0.82 2.41 -5.35 -1.26 -4.46 119.36 110.95 3e1c n ILE 3 Ca 0.00 0.65 -0.08 0.00 -0.27 0.00 0.00 62.75 63.05 3e1c n ILE 3 Cb 0.00 -1.65 0.06 0.00 -1.74 0.00 0.00 39.64 36.31 3e1c n ILE 3 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3e1c n LYS 4 N -1.85 -1.19 -0.33 6.28 2.85 -1.26 -4.62 118.16 118.03 3e1c n LYS 4 Ca -0.01 -0.47 0.21 0.00 -1.05 0.00 0.00 58.31 56.99 3e1c n LYS 4 Cb 0.17 -0.40 0.43 0.00 -0.65 0.00 0.00 35.03 34.59 3e1c n LYS 4 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3e1c h SER 5 N -1.15 0.53 -0.13 -5.58 0.87 -1.97 -0.75 113.55 105.37 3e1c h SER 5 Ca -0.11 0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3e1c h SER 5 Cb 0.32 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3e1c h SER 5 CO 0.07 -0.06 -0.15 0.00 -0.53 0.00 0.00 176.83 176.16 3e1c h ALA 6 N 1.81 0.19 -0.33 6.23 0.00 -1.91 0.70 119.26 125.95 3e1c h ALA 6 Ca 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3e1c h ALA 6 Cb 1.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3e1c h ALA 6 CO -0.57 0.08 0.18 -0.22 0.00 0.00 0.00 179.25 178.72 3e1c h LYS 7 N -0.06 0.45 -0.59 0.00 3.64 -1.75 -3.31 116.57 114.96 3e1c h LYS 7 Ca 0.02 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3e1c h LYS 7 Cb 0.69 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 3e1c h LYS 7 CO 0.04 0.38 0.33 -0.22 -2.27 0.00 0.00 179.45 177.71 3e1c h LYS 8 N 0.41 0.62 0.00 1.90 3.64 -0.79 -2.16 116.57 120.18 3e1c h LYS 8 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3e1c h LYS 8 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3e1c h LYS 8 CO -0.02 0.41 0.17 -0.09 -2.27 0.00 0.00 179.45 177.65 3e1c h ARG 9 N 0.64 0.00 -0.03 1.90 1.12 -0.95 -2.60 114.38 114.46 3e1c h ARG 9 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 3e1c h ARG 9 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 3e1c h ARG 9 CO -0.14 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.72 3e1c n ALA 10 N -1.80 2.47 0.26 2.80 0.00 -0.81 -4.39 120.51 119.03 3e1c n ALA 10 Ca -0.02 -0.64 0.14 0.00 0.00 0.00 0.00 53.44 52.92 3e1c n ALA 10 Cb 0.21 -0.59 0.82 0.00 0.00 0.00 0.00 19.45 19.89 3e1c n ALA 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3e1c h ILE 11 N 3.40 0.66 0.00 0.00 -0.00 -1.55 -0.14 117.51 119.88 3e1c h ILE 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3e1c h ILE 11 Cb 0.72 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 38.50 3e1c h ILE 11 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 178.15 179.71 3e1c h GLN 12 N 0.00 0.00 0.00 0.16 1.08 -1.77 -3.40 115.11 111.17 3e1c h GLN 12 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3e1c h GLN 12 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3e1c h GLN 12 CO -0.00 0.00 0.00 0.45 -0.95 0.00 0.00 178.83 178.33 3e1c n SER 13 N -2.89 0.00 0.18 1.46 2.88 -0.06 -0.56 113.62 114.61 3e1c n SER 13 Ca -0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.58 3e1c n SER 13 Cb 0.12 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.09 3e1c n SER 13 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3e1c h GLU 14 N 0.00 0.14 0.34 -1.46 4.39 -1.83 0.20 114.58 116.36 3e1c h GLU 14 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3e1c h GLU 14 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3e1c h GLU 14 CO 0.00 0.20 -0.16 0.87 -1.16 0.00 0.00 179.01 178.75 3e1c h LYS 15 N 0.14 -0.44 -0.40 2.33 1.57 -1.71 -3.22 116.57 114.85 3e1c h LYS 15 Ca 0.03 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3e1c h LYS 15 Cb 0.17 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.49 3e1c h LYS 15 CO 0.01 -0.29 -0.19 0.00 -0.57 0.00 0.00 179.45 178.40 3e1c h ALA 16 N -1.45 0.10 0.00 3.86 0.00 0.22 -1.84 119.26 120.15 3e1c h ALA 16 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3e1c h ALA 16 Cb 0.35 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3e1c h ALA 16 CO 0.08 -0.56 -0.45 -0.09 0.00 0.00 0.00 179.25 178.22 3e1c h ARG 17 N -0.12 -0.55 0.00 0.00 2.43 -0.85 -2.41 114.38 112.88 3e1c h ARG 17 Ca 0.19 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3e1c h ARG 17 Cb 0.42 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3e1c h ARG 17 CO -0.47 -0.37 0.00 -0.22 -1.51 0.00 0.00 179.97 177.40 3e1c h LYS 18 N -0.57 0.00 0.00 0.20 3.64 -1.46 0.51 116.57 118.90 3e1c h LYS 18 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3e1c h LYS 18 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3e1c h LYS 18 CO -0.30 0.00 -0.02 1.25 -2.27 0.00 0.00 179.45 178.11 3e1c h HIS 19 N 0.00 0.00 -1.27 1.91 2.76 -1.33 -3.37 115.15 113.85 3e1c h HIS 19 Ca 0.00 0.00 0.37 0.00 -2.20 0.00 0.00 60.37 58.54 3e1c h HIS 19 Cb 0.32 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.19 3e1c h HIS 19 CO 0.00 0.00 0.87 -0.91 -1.30 0.00 0.00 177.93 176.59 3e1c h ASN 20 N -0.26 0.19 0.90 3.26 2.35 -1.39 -2.47 115.58 118.15 3e1c h ASN 20 Ca 0.00 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3e1c h ASN 20 Cb 0.02 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3e1c h ASN 20 CO 0.00 -0.02 -0.13 0.00 -1.65 0.00 0.00 177.43 175.63 3e1c h ALA 21 N 1.47 1.04 -0.14 -0.83 0.00 -1.08 -2.15 119.26 117.57 3e1c h ALA 21 Ca 0.68 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.32 3e1c h ALA 21 Cb 2.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.07 3e1c h ALA 21 CO -0.19 0.17 -0.50 0.66 0.00 0.00 0.00 179.25 179.39 3e1c h SER 22 N 0.00 0.69 0.18 0.00 4.64 -1.61 -3.17 113.55 114.28 3e1c h SER 22 Ca -0.00 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3e1c h SER 22 Cb 0.62 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3e1c h SER 22 CO 0.02 1.18 0.00 0.54 -0.87 0.00 0.00 176.83 177.70 3e1c n ARG 23 N -4.20 0.05 0.00 4.77 5.12 -0.81 -0.56 116.66 121.03 3e1c n ARG 23 Ca -0.07 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 3e1c n ARG 23 Cb 0.59 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 3e1c n ARG 23 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3e1c n ARG 24 N -1.72 0.76 -0.02 5.56 -4.01 -1.20 -4.19 116.66 111.84 3e1c n ARG 24 Ca 0.01 0.00 0.03 0.00 -1.04 0.00 0.00 57.85 56.84 3e1c n ARG 24 Cb 0.07 -0.95 -0.09 0.00 -3.04 0.00 0.00 32.46 28.44 3e1c n ARG 24 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3e1c n SER 25 N -1.40 2.35 -0.45 2.89 2.88 -1.00 -4.68 113.62 114.22 3e1c n SER 25 Ca 0.00 0.00 0.41 0.00 -1.33 0.00 0.00 58.87 57.95 3e1c n SER 25 Cb 0.03 1.31 0.76 0.00 -0.75 0.00 0.00 64.21 65.57 3e1c n SER 25 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3e1c h MET 26 N 0.00 0.02 -0.51 -1.46 4.05 -1.11 -1.39 114.93 114.53 3e1c h MET 26 Ca -0.08 -0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.48 3e1c h MET 26 Cb 0.85 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 3e1c h MET 26 CO 0.00 0.01 0.57 1.98 0.23 0.00 0.00 176.91 179.71 3e1c h MET 27 N 0.02 0.00 -0.35 0.39 -1.53 -1.85 -3.37 114.93 108.24 3e1c h MET 27 Ca 0.69 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.87 3e1c h MET 27 Cb 2.72 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 33.76 3e1c h MET 27 CO -0.04 0.00 -0.14 -0.09 0.14 0.00 0.00 176.91 176.79 3e1c h ARG 28 N 0.00 0.63 0.00 0.39 2.43 -1.60 -0.64 114.38 115.59 3e1c h ARG 28 Ca 0.24 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 3e1c h ARG 28 Cb 1.39 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 3e1c h ARG 28 CO -0.00 0.75 -1.90 0.25 -1.51 0.00 0.00 179.97 177.56 3e1c n THR 29 N -4.17 0.59 -0.29 0.20 -2.24 -1.26 -3.66 114.28 103.45 3e1c n THR 29 Ca 0.01 -0.52 0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3e1c n THR 29 Cb 0.36 -0.29 0.23 0.00 -2.10 0.00 0.00 70.33 68.53 3e1c n THR 29 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3e1c h PHE 30 N 0.00 0.69 -0.86 4.78 0.05 -1.69 -0.91 116.94 119.01 3e1c h PHE 30 Ca -0.23 0.04 0.15 0.00 3.82 0.00 0.00 57.97 61.74 3e1c h PHE 30 Cb 1.42 -0.18 -0.09 0.00 2.00 0.00 0.00 35.95 39.09 3e1c h PHE 30 CO 0.00 0.11 0.45 0.82 -0.18 0.00 0.00 178.31 179.51 3e1c h ILE 31 N 0.54 0.74 -0.27 -0.55 2.04 -1.25 -2.61 117.51 116.14 3e1c h ILE 31 Ca 0.47 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.98 3e1c h ILE 31 Cb 0.73 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3e1c h ILE 31 CO -0.40 0.12 -0.38 0.50 0.00 0.00 0.00 178.15 177.98 3e1c h LYS 32 N 0.64 0.63 0.00 2.37 3.64 -1.27 -2.19 116.57 120.39 3e1c h LYS 32 Ca 0.47 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3e1c h LYS 32 Cb 0.65 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3e1c h LYS 32 CO -0.36 0.91 -0.03 0.87 -2.27 0.00 0.00 179.45 178.57 3e1c h LYS 33 N 0.52 0.00 0.00 1.90 1.57 -0.94 0.16 116.57 119.78 3e1c h LYS 33 Ca 0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.60 3e1c h LYS 33 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3e1c h LYS 33 CO 0.08 0.03 -1.51 0.28 -0.57 0.00 0.00 179.45 177.76 3e1c n VAL 34 N -3.99 1.51 -0.07 0.50 0.31 -0.91 -4.13 118.33 111.55 3e1c n VAL 34 Ca -0.03 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.21 3e1c n VAL 34 Cb 0.12 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 30.93 3e1c n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3e1c n TYR 35 N -4.41 -0.07 -0.30 3.52 9.36 -0.87 -2.44 117.16 121.95 3e1c n TYR 35 Ca -0.32 0.19 0.02 0.00 3.32 0.00 0.00 57.90 61.11 3e1c n TYR 35 Cb 0.65 -0.36 0.16 0.00 -0.63 0.00 0.00 39.34 39.15 3e1c n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3e1c h ALA 36 N -0.37 1.19 0.48 2.98 0.00 -0.90 -2.29 119.26 120.35 3e1c h ALA 36 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3e1c h ALA 36 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3e1c h ALA 36 CO -0.15 0.19 -0.23 0.00 0.00 0.00 0.00 179.25 179.07 3e1c h ALA 37 N 1.43 -1.11 0.00 0.00 0.00 -1.71 -2.97 119.26 114.90 3e1c h ALA 37 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3e1c h ALA 37 Cb 0.27 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3e1c h ALA 37 CO -0.21 -1.06 -0.03 0.97 0.00 0.00 0.00 179.25 178.93 3e1c h ILE 38 N -0.68 0.10 0.66 0.00 6.09 -1.21 0.21 117.51 122.68 3e1c h ILE 38 Ca -0.07 -0.38 -0.03 0.00 -1.37 0.00 0.00 64.86 63.01 3e1c h ILE 38 Cb 0.50 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.13 3e1c h ILE 38 CO 0.11 0.03 -0.34 -0.08 -3.07 0.00 0.00 178.15 174.79 3e1c h GLU 39 N 0.00 -0.89 0.00 2.19 4.81 -1.51 -3.13 114.58 116.05 3e1c h GLU 39 Ca -0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3e1c h GLU 39 Cb 0.34 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3e1c h GLU 39 CO 0.00 -0.59 0.00 0.00 -0.73 0.00 0.00 179.01 177.69 3e1c h ALA 40 N -0.59 1.00 0.00 2.92 0.00 -0.51 -3.47 119.26 118.61 3e1c h ALA 40 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3e1c h ALA 40 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3e1c h ALA 40 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3e1c n GLY 41 N -0.53 0.98 2.66 0.00 0.00 -0.06 -5.05 105.19 103.19 3e1c n GLY 41 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3e1c n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3e1c n ASP 42 N 0.00 5.30 -0.21 1.61 10.43 -0.50 -4.81 116.55 128.38 3e1c n ASP 42 Ca 0.00 -2.85 0.02 0.00 2.57 0.00 0.00 54.79 54.52 3e1c n ASP 42 Cb 0.00 -1.59 0.13 0.00 1.84 0.00 0.00 41.12 41.50 3e1c n ASP 42 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 3e1c h LYS 43 N 5.67 0.31 -0.24 -1.24 2.10 -1.93 -1.36 116.57 119.89 3e1c h LYS 43 Ca 0.61 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 59.20 3e1c h LYS 43 Cb 0.55 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.80 3e1c h LYS 43 CO 1.80 0.21 -0.00 0.00 -2.00 0.00 0.00 179.45 179.45 3e1c h ALA 44 N 1.49 0.33 0.00 0.07 0.00 -2.00 -1.39 119.26 117.76 3e1c h ALA 44 Ca 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3e1c h ALA 44 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3e1c h ALA 44 CO -0.39 0.06 -0.10 0.00 0.00 0.00 0.00 179.25 178.82 3e1c h ALA 45 N 0.81 1.00 -0.07 0.00 0.00 -1.84 -2.40 119.26 116.75 3e1c h ALA 45 Ca 0.07 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 3e1c h ALA 45 Cb 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3e1c h ALA 45 CO 0.01 0.12 -0.84 0.00 0.00 0.00 0.00 179.25 178.55 3e1c h ALA 46 N 1.90 0.39 0.64 0.00 0.00 -1.23 -3.17 119.26 117.79 3e1c h ALA 46 Ca -0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3e1c h ALA 46 Cb 0.70 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3e1c h ALA 46 CO 0.01 0.74 -0.31 0.37 0.00 0.00 0.00 179.25 180.06 3e1c h GLN 47 N 0.37 -0.83 0.00 0.00 5.75 -0.80 -1.11 115.11 118.49 3e1c h GLN 47 Ca -0.06 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3e1c h GLN 47 Cb 1.45 0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.19 3e1c h GLN 47 CO 0.16 -0.54 0.00 0.36 -2.65 0.00 0.00 178.83 176.15 3e1c n LYS 48 N -5.45 0.10 -0.02 1.69 2.85 -0.94 -1.70 118.16 114.68 3e1c n LYS 48 Ca -0.13 0.40 -0.16 0.00 -1.05 0.00 0.00 58.31 57.37 3e1c n LYS 48 Cb 0.35 -1.71 -0.09 0.00 -0.65 0.00 0.00 35.03 32.94 3e1c n LYS 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1c h ALA 49 N 2.28 0.20 -0.07 0.58 0.00 -1.47 -2.89 119.26 117.89 3e1c h ALA 49 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3e1c h ALA 49 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3e1c h ALA 49 CO 0.00 0.43 -0.03 0.35 0.00 0.00 0.00 179.25 180.00 3e1c h PHE 50 N 0.17 0.16 -1.18 0.00 3.04 -0.70 0.82 116.94 119.25 3e1c h PHE 50 Ca -0.04 -0.04 0.36 0.00 3.98 0.00 0.00 57.97 62.23 3e1c h PHE 50 Cb 1.21 -0.04 -0.12 0.00 2.56 0.00 0.00 35.95 39.57 3e1c h PHE 50 CO 0.11 0.51 0.75 -0.97 -2.02 0.00 0.00 178.31 176.70 3e1c h ASN 51 N -0.24 0.34 -0.04 0.41 -0.73 -1.48 -0.20 115.58 113.64 3e1c h ASN 51 Ca 0.01 0.12 -0.15 0.00 1.87 0.00 0.00 56.30 58.15 3e1c h ASN 51 Cb 0.47 0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.15 3e1c h ASN 51 CO 0.01 -0.07 -0.55 -0.08 -0.37 0.00 0.00 177.43 176.36 3e1c h GLU 52 N 0.22 0.45 -0.36 6.67 4.81 -1.28 -3.38 114.58 121.71 3e1c h GLU 52 Ca 0.72 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 3e1c h GLU 52 Cb 2.08 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.55 3e1c h GLU 52 CO -0.38 1.08 -0.03 1.98 -0.73 0.00 0.00 179.01 180.92 3e1c h MET 53 N -0.02 0.67 -0.88 1.92 4.05 0.59 -3.27 114.93 117.98 3e1c h MET 53 Ca -0.06 -0.23 0.15 0.00 -0.28 0.00 0.00 59.70 59.28 3e1c h MET 53 Cb 1.24 -0.05 -0.15 0.00 -0.80 0.00 0.00 31.60 31.83 3e1c h MET 53 CO 0.11 0.80 -0.34 1.96 0.23 0.00 0.00 176.91 179.67 3e1c h GLN 54 N 0.47 -0.04 0.00 0.39 1.08 -1.27 -1.77 115.11 113.97 3e1c h GLN 54 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3e1c h GLN 54 Cb 0.52 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3e1c h GLN 54 CO 0.03 -0.02 0.00 -0.35 -0.95 0.00 0.00 178.83 177.53 3e1c n PRO 55 N -5.49 0.82 -0.04 1.46 -0.04 -1.23 -3.97 135.00 126.51 3e1c n PRO 55 Ca 0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 3e1c n PRO 55 Cb 0.40 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 3e1c n PRO 55 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3e1c n ILE 56 N -1.05 1.30 -0.40 0.52 5.41 -0.79 -4.85 119.36 119.50 3e1c n ILE 56 Ca 0.20 0.24 0.35 0.00 1.00 0.00 0.00 62.75 64.55 3e1c n ILE 56 Cb 0.12 -2.04 0.61 0.00 -0.71 0.00 0.00 39.64 37.62 3e1c n ILE 56 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 3e1c n VAL 57 N -4.01 -0.28 -0.07 1.39 3.14 -0.74 -3.04 118.33 114.72 3e1c n VAL 57 Ca -0.09 1.75 -0.09 0.00 -2.96 0.00 0.00 64.34 62.96 3e1c n VAL 57 Cb 0.32 -2.86 -0.09 0.00 -1.06 0.00 0.00 33.84 30.15 3e1c n VAL 57 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3e1c n ASP 58 N -4.74 2.33 0.32 6.55 9.92 -1.26 -4.54 116.55 125.13 3e1c n ASP 58 Ca 0.37 -0.05 0.20 0.00 -0.53 0.00 0.00 54.79 54.78 3e1c n ASP 58 Cb 1.39 0.26 1.07 0.00 -0.64 0.00 0.00 41.12 43.19 3e1c n ASP 58 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3e1c h ARG 59 N 0.00 0.00 0.00 -1.24 2.43 -1.87 -1.05 114.38 112.66 3e1c h ARG 59 Ca -0.35 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.56 3e1c h ARG 59 Cb 1.67 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.17 3e1c h ARG 59 CO -0.02 0.00 -2.16 0.00 -1.51 0.00 0.00 179.97 176.28 3e1c n GLN 60 N -3.25 0.67 -0.12 0.20 10.64 -1.23 -4.73 117.38 119.57 3e1c n GLN 60 Ca -0.02 -0.01 -0.25 0.00 -1.83 0.00 0.00 57.00 54.88 3e1c n GLN 60 Cb 0.16 -1.56 -0.08 0.00 -0.86 0.00 0.00 30.24 27.89 3e1c n GLN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3e1c n ALA 61 N -2.59 1.41 0.14 2.61 0.00 -0.44 -4.34 120.51 117.30 3e1c n ALA 61 Ca -0.23 -0.96 0.01 0.00 0.00 0.00 0.00 53.44 52.26 3e1c n ALA 61 Cb 0.98 0.18 0.06 0.00 0.00 0.00 0.00 19.45 20.67 3e1c n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c n ALA 62 N -4.11 1.58 -0.22 0.00 0.00 -0.94 -1.31 120.51 115.52 3e1c n ALA 62 Ca -0.47 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 52.97 3e1c n ALA 62 Cb 0.82 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 19.34 3e1c n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3e1c h LYS 63 N 0.00 0.07 0.00 0.00 1.57 -1.78 -3.47 116.57 112.96 3e1c h LYS 63 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3e1c h LYS 63 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3e1c h LYS 63 CO 0.00 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 3e1c n GLY 64 N -1.40 0.00 0.29 3.86 0.00 -0.43 -5.01 105.19 102.50 3e1c n GLY 64 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3e1c n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3e1c h LEU 65 N 0.00 0.00 -7.60 0.99 3.38 -1.55 -3.38 115.31 107.15 3e1c h LEU 65 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3e1c h LEU 65 Cb 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.37 3e1c h LEU 65 CO 0.00 0.03 -0.79 -0.63 0.09 0.00 0.00 178.44 177.14 3e1c s ILE 66 N -4.52 0.96 0.08 1.22 1.01 -1.01 -5.00 121.20 113.94 3e1c s ILE 66 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3e1c s ILE 66 Cb 0.15 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 3e1c s ILE 66 CO 0.55 0.18 0.01 1.57 0.00 0.00 0.00 174.94 177.26 3e1c n HIS 67 N 4.94 0.10 -4.89 3.97 -0.00 -1.26 -3.92 115.22 114.16 3e1c n HIS 67 Ca -0.11 -0.44 0.00 0.00 0.46 0.00 0.00 57.72 57.62 3e1c n HIS 67 Cb 0.49 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3e1c n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3e1c n LYS 68 N -0.18 0.00 0.00 1.57 4.76 -1.26 -3.74 118.16 119.30 3e1c n LYS 68 Ca -0.02 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.45 3e1c n LYS 68 Cb 0.11 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.47 3e1c n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3e1c n ASN 69 N -2.59 0.00 -0.18 4.39 4.05 -1.26 -4.14 115.26 115.53 3e1c n ASN 69 Ca 0.00 -0.56 -0.06 0.00 0.45 0.00 0.00 54.58 54.41 3e1c n ASN 69 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 3e1c n ASN 69 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 3e1c h LYS 70 N 0.00 0.62 -0.18 1.20 3.64 -1.99 -3.27 116.57 116.58 3e1c h LYS 70 Ca 0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 3e1c h LYS 70 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3e1c h LYS 70 CO 0.00 0.41 -0.46 0.00 -2.27 0.00 0.00 179.45 177.13 3e1c h ALA 71 N 1.23 0.30 -0.56 5.00 0.00 -1.81 -3.38 119.26 120.04 3e1c h ALA 71 Ca 0.21 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.75 3e1c h ALA 71 Cb 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 3e1c h ALA 71 CO -0.09 0.44 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 3e1c h ALA 72 N 0.57 0.41 0.00 0.00 0.00 -1.86 -1.28 119.26 117.10 3e1c h ALA 72 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3e1c h ALA 72 Cb 1.08 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3e1c h ALA 72 CO 0.10 -0.43 -0.05 2.89 0.00 0.00 0.00 179.25 181.76 3e1c n ARG 73 N -5.37 0.10 0.08 0.00 0.00 -1.26 -1.27 116.66 108.94 3e1c n ARG 73 Ca 0.06 0.07 -0.21 0.00 -0.00 0.00 0.00 57.85 57.77 3e1c n ARG 73 Cb 0.30 -1.61 -0.14 0.00 -0.00 0.00 0.00 32.46 31.01 3e1c n ARG 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3e1c h HIS 74 N 0.00 0.77 -0.79 2.89 3.86 -1.64 -3.27 115.15 116.96 3e1c h HIS 74 Ca 0.00 -0.53 -0.04 0.00 -1.16 0.00 0.00 60.37 58.64 3e1c h HIS 74 Cb 0.59 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 3e1c h HIS 74 CO 0.00 1.39 0.33 -0.22 0.86 0.00 0.00 177.93 180.30 3e1c h LYS 75 N -0.06 1.17 -0.15 2.45 1.63 -0.78 -2.43 116.57 118.39 3e1c h LYS 75 Ca -0.17 -0.20 0.02 0.00 -0.85 0.00 0.00 60.65 59.44 3e1c h LYS 75 Cb 1.80 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 33.21 3e1c h LYS 75 CO 0.20 0.94 0.03 0.00 -3.45 0.00 0.00 179.45 177.16 3e1c h ALA 76 N 1.18 0.15 -0.23 5.00 0.00 -1.36 -2.73 119.26 121.26 3e1c h ALA 76 Ca 0.27 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3e1c h ALA 76 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3e1c h ALA 76 CO -0.03 -0.42 1.02 -0.97 0.00 0.00 0.00 179.25 178.86 3e1c h ASN 77 N 0.09 0.00 0.00 0.00 -0.73 -1.48 -1.92 115.58 111.54 3e1c h ASN 77 Ca 0.06 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 3e1c h ASN 77 Cb 0.06 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.64 3e1c h ASN 77 CO -0.09 0.00 -0.43 -0.07 -0.37 0.00 0.00 177.43 176.48 3e1c h LEU 78 N 0.00 0.00 -0.43 0.34 -0.00 -1.59 -3.38 115.31 110.24 3e1c h LEU 78 Ca 0.11 -0.03 -0.17 0.00 -0.00 0.00 0.00 57.88 57.80 3e1c h LEU 78 Cb 2.15 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.80 3e1c h LEU 78 CO -0.00 0.73 -0.49 0.71 -0.00 0.00 0.00 178.44 179.39 3e1c h THR 79 N -1.00 1.29 -0.67 0.22 1.35 -1.62 -2.70 112.91 109.78 3e1c h THR 79 Ca -0.01 -1.68 0.12 0.00 -0.55 0.00 0.00 66.41 64.28 3e1c h THR 79 Cb 0.44 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.41 3e1c h THR 79 CO -0.01 0.54 0.45 0.00 -0.25 0.00 0.00 175.52 176.25 3e1c h ALA 80 N 0.84 2.07 0.03 6.62 0.00 -1.62 0.23 119.26 127.43 3e1c h ALA 80 Ca 0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3e1c h ALA 80 Cb 1.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3e1c h ALA 80 CO 0.10 -0.23 -1.04 0.37 0.00 0.00 0.00 179.25 178.45 3e1c h GLN 81 N 0.41 0.49 0.00 0.00 5.75 -1.68 0.25 115.11 120.33 3e1c h GLN 81 Ca 0.32 -0.57 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3e1c h GLN 81 Cb 0.68 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 3e1c h GLN 81 CO -0.09 1.21 -0.02 -0.84 -2.65 0.00 0.00 178.83 176.43 3e1c h ILE 82 N 0.26 0.07 0.15 2.39 3.07 -1.05 -3.11 117.51 119.28 3e1c h ILE 82 Ca -0.11 -0.46 -0.32 0.00 1.55 0.00 0.00 64.86 65.52 3e1c h ILE 82 Cb 1.69 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.67 3e1c h ILE 82 CO 0.19 0.02 -1.60 0.78 -1.05 0.00 0.00 178.15 176.49 3e1c h ASN 83 N 0.00 0.50 -1.27 2.16 2.35 -0.29 -0.84 115.58 118.19 3e1c h ASN 83 Ca -0.00 -0.90 0.46 0.00 -0.55 0.00 0.00 56.30 55.31 3e1c h ASN 83 Cb 0.42 -0.16 -0.15 0.00 0.05 0.00 0.00 38.32 38.48 3e1c h ASN 83 CO 0.00 1.71 0.79 0.29 -1.65 0.00 0.00 177.43 178.58 3e1c n LYS 84 N -3.75 -0.04 0.01 0.81 4.76 0.87 -2.57 118.16 118.25 3e1c n LYS 84 Ca -0.25 1.27 -0.18 0.00 -2.87 0.00 0.00 58.31 56.28 3e1c n LYS 84 Cb 0.99 -2.44 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 3e1c n LYS 84 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3e1c h LEU 85 N 0.00 0.32 0.00 -0.35 6.46 -1.44 -3.51 115.31 116.79 3e1c h LEU 85 Ca 0.86 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3e1c h LEU 85 Cb 2.66 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 42.48 3e1c h LEU 85 CO -0.53 1.59 0.00 0.00 -0.62 0.00 0.00 178.44 178.88