#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrk n TYR 5 N 0.00 0.12 0.30 1.39 4.01 -1.26 -1.38 117.16 120.33 1wrk n TYR 5 Ca 0.00 0.04 0.19 0.00 -0.16 0.00 0.00 57.90 57.97 1wrk n TYR 5 Cb 0.00 -0.57 0.85 0.00 -0.31 0.00 0.00 39.34 39.30 1wrk n TYR 5 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1wrk h LYS 6 N 0.00 0.00 0.00 -0.72 3.64 -2.00 -2.83 116.57 114.66 1wrk h LYS 6 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1wrk h LYS 6 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1wrk h LYS 6 CO 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 179.45 177.13 1wrk h ALA 7 N 2.00 0.00 -0.56 5.00 0.00 -1.68 -3.24 119.26 120.78 1wrk h ALA 7 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1wrk h ALA 7 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1wrk h ALA 7 CO 0.00 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.50 1wrk h ALA 8 N 0.17 1.47 -0.83 0.00 0.00 -1.66 -1.83 119.26 116.58 1wrk h ALA 8 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wrk h ALA 8 Cb 0.88 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1wrk h ALA 8 CO 0.01 0.43 0.45 0.28 0.00 0.00 0.00 179.25 180.42 1wrk h VAL 9 N 0.77 1.25 -0.62 0.00 2.07 -1.62 -0.73 116.25 117.38 1wrk h VAL 9 Ca 0.20 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1wrk h VAL 9 Cb 0.03 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1wrk h VAL 9 CO -0.03 0.28 0.25 -0.33 0.02 0.00 0.00 177.57 177.75 1wrk h GLU 10 N 1.17 0.90 0.00 1.57 5.08 -1.37 -2.61 114.58 119.31 1wrk h GLU 10 Ca 0.29 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1wrk h GLU 10 Cb 0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1wrk h GLU 10 CO -0.05 0.73 -0.29 1.96 -1.00 0.00 0.00 179.01 180.37 1wrk h GLN 11 N 0.88 0.00 -6.73 2.33 1.08 -0.64 -3.45 115.11 108.59 1wrk h GLN 11 Ca 0.21 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.84 1wrk h GLN 11 Cb 0.17 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.72 1wrk h GLN 11 CO -0.02 0.29 0.36 1.28 -0.95 0.00 0.00 178.83 179.79 1wrk n LEU 12 N -3.99 3.34 -4.94 1.46 4.77 -0.84 -5.00 117.00 111.80 1wrk n LEU 12 Ca -0.02 1.10 -0.25 0.00 -0.03 0.00 0.00 56.01 56.82 1wrk n LEU 12 Cb 0.35 -1.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1wrk n LEU 12 CO 0.36 -0.96 0.50 0.42 -1.33 0.00 0.00 177.39 176.39 1wrk s THR 13 N -1.20 2.88 0.08 -5.08 -4.23 -1.26 -4.88 115.64 101.95 1wrk s THR 13 Ca 0.61 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.57 1wrk s THR 13 Cb -0.55 -3.16 -0.14 0.00 1.34 0.00 0.00 72.50 69.99 1wrk s THR 13 CO 0.58 -0.15 1.67 -0.33 -0.54 0.00 0.00 174.62 175.85 1wrk h GLU 14 N -0.24 0.05 -0.76 3.99 5.08 -1.98 0.91 114.58 121.64 1wrk h GLU 14 Ca -0.44 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1wrk h GLU 14 Cb 1.29 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 1wrk h GLU 14 CO 0.58 0.11 0.33 1.49 -1.00 0.00 0.00 179.01 180.52 1wrk h GLU 15 N -0.03 0.48 0.57 2.33 4.81 -1.97 1.37 114.58 122.14 1wrk h GLU 15 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1wrk h GLU 15 Cb 0.08 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1wrk h GLU 15 CO -0.00 0.32 -0.27 1.96 -0.73 0.00 0.00 179.01 180.28 1wrk h GLN 16 N 0.49 -0.73 -0.73 1.92 4.20 -1.82 0.71 115.11 119.14 1wrk h GLN 16 Ca 0.41 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.22 1wrk h GLN 16 Cb 0.58 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 1wrk h GLN 16 CO -0.37 -0.47 0.48 0.87 -0.67 0.00 0.00 178.83 178.67 1wrk h LYS 17 N -0.81 0.78 -0.53 1.46 1.57 0.35 -1.29 116.57 118.11 1wrk h LYS 17 Ca -0.08 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1wrk h LYS 17 Cb 0.60 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1wrk h LYS 17 CO 0.13 0.52 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.54 1wrk h ASN 18 N 0.81 0.95 -0.57 0.86 -0.26 0.22 -1.23 115.58 116.36 1wrk h ASN 18 Ca 0.31 -0.29 -0.08 0.00 -0.56 0.00 0.00 56.30 55.68 1wrk h ASN 18 Cb 0.19 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1wrk h ASN 18 CO -0.10 1.05 0.04 -0.33 -1.06 0.00 0.00 177.43 177.03 1wrk h GLU 19 N 0.87 0.98 -0.34 0.81 5.08 0.03 -1.95 114.58 120.06 1wrk h GLU 19 Ca 0.14 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1wrk h GLU 19 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1wrk h GLU 19 CO 0.04 0.96 -0.02 0.74 -1.00 0.00 0.00 179.01 179.73 1wrk h PHE 20 N 0.87 0.57 -0.35 4.33 0.04 -1.02 -2.13 116.94 119.25 1wrk h PHE 20 Ca 0.17 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 1wrk h PHE 20 Cb 0.49 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1wrk h PHE 20 CO 0.04 0.57 0.04 -0.22 -0.60 0.00 0.00 178.31 178.14 1wrk h LYS 21 N 0.52 0.59 -0.89 1.51 1.63 -0.89 0.24 116.57 119.27 1wrk h LYS 21 Ca 0.11 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1wrk h LYS 21 Cb 0.37 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 1wrk h LYS 21 CO 0.01 0.67 0.58 0.00 -3.45 0.00 0.00 179.45 177.27 1wrk h ALA 22 N 0.89 1.43 0.06 5.00 0.00 -1.06 0.51 119.26 126.09 1wrk h ALA 22 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wrk h ALA 22 Cb 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wrk h ALA 22 CO 0.01 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 1wrk h ALA 23 N 1.48 -0.08 -0.53 0.00 0.00 -1.01 -2.49 119.26 116.64 1wrk h ALA 23 Ca 0.35 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1wrk h ALA 23 Cb -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1wrk h ALA 23 CO -0.10 -0.30 0.11 0.35 0.00 0.00 0.00 179.25 179.31 1wrk h PHE 24 N -0.57 0.17 -0.94 0.00 3.57 0.02 0.20 116.94 119.41 1wrk h PHE 24 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1wrk h PHE 24 Cb 0.49 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1wrk h PHE 24 CO 0.08 -0.01 0.60 -0.44 -2.23 0.00 0.00 178.31 176.32 1wrk h ASP 25 N 0.25 0.99 0.35 0.41 3.32 0.01 -1.49 116.42 120.27 1wrk h ASP 25 Ca 0.27 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 1wrk h ASP 25 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1wrk h ASP 25 CO -0.35 0.67 -0.66 -0.29 -1.72 0.00 0.00 179.24 176.89 1wrk h ILE 26 N 1.15 1.40 0.00 0.35 6.09 -0.83 -3.04 117.51 122.63 1wrk h ILE 26 Ca 0.38 -2.08 -0.06 0.00 -1.37 0.00 0.00 64.86 61.72 1wrk h ILE 26 Cb 0.05 2.07 -0.01 0.00 0.47 0.00 0.00 36.82 39.40 1wrk h ILE 26 CO -0.14 0.62 -0.31 -0.26 -3.07 0.00 0.00 178.15 174.99 1wrk h PHE 27 N 0.20 0.00 -0.42 2.19 0.04 -0.11 -3.03 116.94 115.81 1wrk h PHE 27 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1wrk h PHE 27 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1wrk h PHE 27 CO 0.03 0.31 0.00 1.33 -0.60 0.00 0.00 178.31 179.38 1wrk n VAL 28 N -4.13 0.55 -1.76 -0.55 0.24 -0.64 -4.83 118.33 107.20 1wrk n VAL 28 Ca -0.02 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1wrk n VAL 28 Cb 0.36 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 1wrk n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wrk s LEU 29 N -1.44 4.01 0.00 1.34 1.43 -1.15 -0.36 118.68 122.52 1wrk s LEU 29 Ca 0.40 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1wrk s LEU 29 Cb 0.23 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1wrk s LEU 29 CO 0.32 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 176.14 1wrk n GLY 30 N 4.92 2.45 3.73 -3.19 0.00 -1.26 -5.05 105.19 106.79 1wrk n GLY 30 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1wrk n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrk s ALA 31 N -2.59 3.61 0.50 4.61 0.00 0.52 -4.88 121.76 123.53 1wrk s ALA 31 Ca 0.00 1.22 0.19 0.00 0.00 0.00 0.00 51.96 53.37 1wrk s ALA 31 Cb 0.00 -3.54 1.25 0.00 0.00 0.00 0.00 23.12 20.83 1wrk s ALA 31 CO 0.00 -0.66 2.04 1.49 0.00 0.00 0.00 175.76 178.63 1wrk h GLU 32 N 5.81 0.12 0.00 0.00 4.81 -1.88 -3.09 114.58 120.35 1wrk h GLU 32 Ca -0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1wrk h GLU 32 Cb 1.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1wrk h GLU 32 CO 0.82 0.08 -0.25 -0.40 -0.73 0.00 0.00 179.01 178.52 1wrk n ASP 33 N -4.45 1.92 -0.28 1.04 3.85 -1.26 -4.98 116.55 112.39 1wrk n ASP 33 Ca 0.06 -3.28 -0.04 0.00 -0.71 0.00 0.00 54.79 50.82 1wrk n ASP 33 Cb 0.39 -0.45 -0.02 0.00 -1.35 0.00 0.00 41.12 39.69 1wrk n ASP 33 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wrk n GLY 34 N -1.16 0.49 3.45 6.12 0.00 -1.17 -4.98 105.19 107.94 1wrk n GLY 34 Ca 0.16 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1wrk n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wrk s SER 35 N -2.21 3.01 -0.47 1.61 1.04 -1.26 -4.90 113.70 110.52 1wrk s SER 35 Ca 0.00 -1.17 -0.24 0.00 0.48 0.00 0.00 55.95 55.02 1wrk s SER 35 Cb 0.00 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1wrk s SER 35 CO 0.00 -0.28 0.84 -0.63 0.98 0.00 0.00 173.24 174.16 1wrk s ILE 36 N -2.89 4.57 0.39 -1.02 -1.09 -0.36 -4.82 121.20 115.98 1wrk s ILE 36 Ca 0.30 0.48 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1wrk s ILE 36 Cb 0.03 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.59 1wrk s ILE 36 CO 0.13 -0.81 0.53 -1.54 -1.23 0.00 0.00 174.94 172.02 1wrk n SER 37 N 6.94 1.32 -0.10 3.58 3.41 -1.26 -1.15 113.62 126.36 1wrk n SER 37 Ca 0.03 -1.97 0.12 0.00 -0.26 0.00 0.00 58.87 56.79 1wrk n SER 37 Cb 0.48 -0.29 0.49 0.00 -0.26 0.00 0.00 64.21 64.63 1wrk n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1wrk h THR 38 N 0.00 0.90 0.52 6.66 1.35 -1.91 -1.93 112.91 118.51 1wrk h THR 38 Ca -0.18 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.50 1wrk h THR 38 Cb 0.81 0.42 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1wrk h THR 38 CO 0.25 0.08 -0.25 0.50 -0.25 0.00 0.00 175.52 175.85 1wrk h LYS 39 N 0.44 -0.68 -0.42 4.72 3.64 -1.98 0.23 116.57 122.51 1wrk h LYS 39 Ca 0.29 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1wrk h LYS 39 Cb 0.55 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1wrk h LYS 39 CO -0.08 -0.41 0.15 0.93 -2.27 0.00 0.00 179.45 177.76 1wrk h GLU 40 N -0.79 0.60 -0.18 1.90 3.07 -1.80 -1.93 114.58 115.46 1wrk h GLU 40 Ca -0.07 -0.09 -0.19 0.00 -0.50 0.00 0.00 59.36 58.51 1wrk h GLU 40 Cb 0.58 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1wrk h GLU 40 CO 0.12 0.52 -0.66 1.25 -1.40 0.00 0.00 179.01 178.84 1wrk h LEU 41 N 0.60 0.76 -0.71 1.33 5.85 -1.24 -2.74 115.31 119.16 1wrk h LEU 41 Ca 0.14 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1wrk h LEU 41 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1wrk h LEU 41 CO -0.01 1.22 0.16 1.23 -0.34 0.00 0.00 178.44 180.69 1wrk h GLY 42 N 0.89 1.23 1.04 3.75 0.00 -0.17 -1.22 103.07 108.58 1wrk h GLY 42 Ca -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 1wrk h GLY 42 CO 0.13 0.73 0.22 0.50 0.00 0.00 0.00 176.54 178.12 1wrk h LYS 43 N 1.08 1.09 -0.30 4.80 1.57 -1.31 -0.47 116.57 123.02 1wrk h LYS 43 Ca 0.22 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1wrk h LYS 43 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1wrk h LYS 43 CO 0.01 0.93 0.03 0.28 -0.57 0.00 0.00 179.45 180.13 1wrk h VAL 44 N 1.03 1.24 -0.39 0.50 2.07 -1.29 0.36 116.25 119.76 1wrk h VAL 44 Ca 0.23 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1wrk h VAL 44 Cb 0.30 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1wrk h VAL 44 CO -0.01 0.27 0.25 0.24 0.02 0.00 0.00 177.57 178.35 1wrk h MET 45 N 0.31 0.53 -0.35 1.57 2.86 -1.02 -2.08 114.93 116.75 1wrk h MET 45 Ca 0.09 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1wrk h MET 45 Cb 0.37 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1wrk h MET 45 CO 0.01 0.37 -0.22 0.00 1.06 0.00 0.00 176.91 178.12 1wrk h ARG 46 N 0.53 0.69 0.00 1.72 3.08 -0.98 0.95 114.38 120.38 1wrk h ARG 46 Ca 0.14 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1wrk h ARG 46 Cb -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1wrk h ARG 46 CO -0.03 0.86 -0.03 1.98 -1.07 0.00 0.00 179.97 181.67 1wrk h MET 47 N 0.61 0.00 -0.86 0.04 4.05 -0.56 0.47 114.93 118.67 1wrk h MET 47 Ca 0.09 0.00 -0.44 0.00 -0.28 0.00 0.00 59.70 59.07 1wrk h MET 47 Cb 0.71 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 31.24 1wrk h MET 47 CO 0.05 0.03 0.50 1.28 0.23 0.00 0.00 176.91 179.01 1wrk n LEU 48 N -4.02 6.22 0.00 3.39 4.77 -0.79 -4.93 117.00 121.64 1wrk n LEU 48 Ca -0.03 -3.62 0.00 0.00 -0.03 0.00 0.00 56.01 52.33 1wrk n LEU 48 Cb 0.12 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1wrk n LEU 48 CO 0.30 1.08 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1wrk n GLY 49 N -1.10 0.18 3.95 -0.72 0.00 0.16 -5.01 105.19 102.65 1wrk n GLY 49 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 1wrk n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wrk s GLN 50 N -1.27 2.97 -0.42 1.61 -1.52 0.26 -4.97 119.66 116.33 1wrk s GLN 50 Ca 0.00 -0.39 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 1wrk s GLN 50 Cb 0.00 -2.48 0.16 0.00 -0.22 0.00 0.00 33.01 30.47 1wrk s GLN 50 CO 0.00 -0.43 0.30 1.21 -0.25 0.00 0.00 175.29 176.12 1wrk s ASN 51 N -4.26 2.39 0.14 5.90 2.47 -1.26 -3.86 114.94 116.46 1wrk s ASN 51 Ca 0.51 -2.83 -0.11 0.00 0.42 0.00 0.00 52.86 50.85 1wrk s ASN 51 Cb -0.10 -0.59 -0.07 0.00 -1.45 0.00 0.00 41.25 39.05 1wrk s ASN 51 CO 0.40 -0.21 0.50 -2.16 -3.72 0.00 0.00 177.10 171.90 1wrk s PRO 52 N 0.26 3.85 0.74 0.43 0.04 -1.26 -5.09 135.00 133.98 1wrk s PRO 52 Ca 0.26 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 1wrk s PRO 52 Cb -0.08 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.61 1wrk s PRO 52 CO -0.11 0.47 1.10 0.95 0.04 0.00 0.00 177.00 179.44 1wrk s THR 53 N -1.53 3.35 0.52 1.26 -4.23 -1.26 -4.89 115.64 108.86 1wrk s THR 53 Ca 0.39 0.44 0.21 0.00 -1.18 0.00 0.00 61.69 61.54 1wrk s THR 53 Cb -0.14 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.65 1wrk s THR 53 CO 0.20 -0.57 2.14 -0.65 -0.54 0.00 0.00 174.62 175.20 1wrk h PRO 54 N -0.82 0.00 -0.13 3.99 0.11 -2.00 -2.27 132.00 130.89 1wrk h PRO 54 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1wrk h PRO 54 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1wrk h PRO 54 CO 0.62 0.05 -0.47 0.93 -0.21 0.00 0.00 178.00 178.92 1wrk h GLU 55 N 0.00 0.55 -0.95 1.05 3.07 -2.00 -2.40 114.58 113.90 1wrk h GLU 55 Ca -0.00 -0.41 0.03 0.00 -0.50 0.00 0.00 59.36 58.47 1wrk h GLU 55 Cb 0.09 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1wrk h GLU 55 CO 0.01 1.04 0.62 0.93 -1.40 0.00 0.00 179.01 180.21 1wrk h GLU 56 N 0.17 1.19 -0.44 2.33 5.08 -1.78 -1.12 114.58 120.00 1wrk h GLU 56 Ca -0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1wrk h GLU 56 Cb 1.10 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1wrk h GLU 56 CO 0.10 0.79 0.17 -0.07 -1.00 0.00 0.00 179.01 179.00 1wrk h LEU 57 N 1.23 0.62 -0.71 1.33 3.38 -1.40 -1.06 115.31 118.69 1wrk h LEU 57 Ca 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1wrk h LEU 57 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1wrk h LEU 57 CO -0.11 0.62 0.41 1.56 0.09 0.00 0.00 178.44 181.01 1wrk h GLN 58 N 0.58 0.98 -0.60 1.13 4.20 -0.89 -1.61 115.11 118.91 1wrk h GLN 58 Ca 0.15 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1wrk h GLN 58 Cb 0.20 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1wrk h GLN 58 CO -0.01 0.72 0.13 0.93 -0.67 0.00 0.00 178.83 179.92 1wrk h GLU 59 N 0.98 0.97 -0.65 1.46 5.08 -1.03 0.10 114.58 121.47 1wrk h GLU 59 Ca 0.25 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1wrk h GLU 59 Cb 0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1wrk h GLU 59 CO -0.04 0.90 0.37 0.52 -1.00 0.00 0.00 179.01 179.76 1wrk h MET 60 N 0.87 0.90 -0.18 2.33 2.86 -0.86 -1.60 114.93 119.25 1wrk h MET 60 Ca 0.18 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1wrk h MET 60 Cb 0.38 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1wrk h MET 60 CO 0.01 0.67 -0.01 0.82 1.06 0.00 0.00 176.91 179.45 1wrk h ILE 61 N 0.89 1.26 -0.59 -1.22 1.08 -1.01 -3.19 117.51 114.73 1wrk h ILE 61 Ca 0.23 -0.89 0.08 0.00 -0.39 0.00 0.00 64.86 63.90 1wrk h ILE 61 Cb 0.01 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 1wrk h ILE 61 CO -0.04 0.27 0.40 -0.78 -0.69 0.00 0.00 178.15 177.30 1wrk h ASP 62 N 0.06 0.42 -0.08 1.72 1.82 -0.51 -1.69 116.42 118.17 1wrk h ASP 62 Ca 0.05 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1wrk h ASP 62 Cb 0.41 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1wrk h ASP 62 CO 0.01 0.26 0.07 -0.33 -1.61 0.00 0.00 179.24 177.65 1wrk h GLU 63 N 0.47 0.00 0.00 0.28 5.08 -1.28 -2.87 114.58 116.26 1wrk h GLU 63 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1wrk h GLU 63 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wrk h GLU 63 CO -0.08 0.00 -0.01 1.33 -1.00 0.00 0.00 179.01 179.25 1wrk n VAL 64 N -4.06 0.86 -2.42 3.13 0.24 -0.82 -4.92 118.33 110.34 1wrk n VAL 64 Ca -0.01 -0.90 -0.43 0.00 -2.04 0.00 0.00 64.34 60.96 1wrk n VAL 64 Cb 0.18 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 1wrk n VAL 64 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wrk n ASP 65 N -0.48 4.78 0.26 -1.34 4.64 -0.70 -4.74 116.55 118.96 1wrk n ASP 65 Ca 0.02 -2.94 0.10 0.00 -1.38 0.00 0.00 54.79 50.58 1wrk n ASP 65 Cb 0.35 -1.64 0.68 0.00 -1.04 0.00 0.00 41.12 39.47 1wrk n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1wrk h GLU 66 N 6.80 0.00 -0.57 -0.67 4.39 -1.90 -2.23 114.58 120.40 1wrk h GLU 66 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1wrk h GLU 66 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1wrk h GLU 66 CO 1.54 0.09 0.00 -0.40 -1.16 0.00 0.00 179.01 179.08 1wrk n ASP 67 N -4.09 3.69 -2.40 1.42 5.75 -1.26 -4.95 116.55 114.72 1wrk n ASP 67 Ca -0.03 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.57 1wrk n ASP 67 Cb 0.18 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 1wrk n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wrk n GLY 68 N 1.52 -0.47 0.11 6.12 0.00 -0.84 -4.87 105.19 106.77 1wrk n GLY 68 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1wrk n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wrk n SER 69 N -1.98 0.77 0.00 1.61 3.41 -1.26 -4.88 113.62 111.29 1wrk n SER 69 Ca -0.23 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1wrk n SER 69 Cb 0.68 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1wrk n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wrk n GLY 70 N 0.90 0.65 3.19 5.00 0.00 -1.26 -5.00 105.19 108.67 1wrk n GLY 70 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1wrk n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wrk s THR 71 N -2.53 0.18 -0.21 2.61 -4.23 -1.26 -4.68 115.64 105.51 1wrk s THR 71 Ca 0.00 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1wrk s THR 71 Cb 0.00 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1wrk s THR 71 CO 0.00 -0.26 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.03 1wrk s VAL 72 N -4.01 2.81 0.77 2.29 1.01 -0.30 -4.80 120.40 118.17 1wrk s VAL 72 Ca 0.31 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1wrk s VAL 72 Cb 0.07 -2.29 0.15 0.00 0.00 0.00 0.00 36.38 34.32 1wrk s VAL 72 CO 0.07 0.41 1.05 -0.90 0.00 0.00 0.00 175.10 175.73 1wrk n ASP 73 N 4.71 1.26 -0.22 3.32 3.85 -1.26 -1.22 116.55 126.99 1wrk n ASP 73 Ca -0.19 -2.10 0.01 0.00 -0.71 0.00 0.00 54.79 51.81 1wrk n ASP 73 Cb 0.50 -0.69 0.26 0.00 -1.35 0.00 0.00 41.12 39.83 1wrk n ASP 73 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1wrk h PHE 74 N -0.72 0.93 -0.38 2.11 3.57 -1.99 0.17 116.94 120.63 1wrk h PHE 74 Ca -0.35 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.11 1wrk h PHE 74 Cb 1.24 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1wrk h PHE 74 CO 0.00 0.57 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.21 1wrk h ASP 75 N 0.99 0.67 0.48 0.41 3.32 -2.00 -1.55 116.42 118.74 1wrk h ASP 75 Ca 0.29 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1wrk h ASP 75 Cb -0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1wrk h ASP 75 CO -0.07 0.82 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.51 1wrk h GLU 76 N 0.50 0.00 -0.52 3.56 5.08 -1.79 -2.69 114.58 118.72 1wrk h GLU 76 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1wrk h GLU 76 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1wrk h GLU 76 CO 0.02 0.43 0.14 0.35 -1.00 0.00 0.00 179.01 178.94 1wrk h PHE 77 N 0.00 0.87 -0.89 4.33 3.57 -0.48 -0.61 116.94 123.73 1wrk h PHE 77 Ca -0.00 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.47 1wrk h PHE 77 Cb 0.79 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1wrk h PHE 77 CO 0.00 0.76 0.58 -0.07 -2.23 0.00 0.00 178.31 177.35 1wrk h LEU 78 N 0.73 0.86 -0.70 0.59 3.38 -0.96 0.12 115.31 119.32 1wrk h LEU 78 Ca 0.17 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1wrk h LEU 78 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wrk h LEU 78 CO 0.00 0.53 -0.49 0.58 0.09 0.00 0.00 178.44 179.15 1wrk h VAL 79 N 0.96 1.33 -0.34 1.22 2.07 -1.33 -0.34 116.25 119.82 1wrk h VAL 79 Ca 0.40 -1.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1wrk h VAL 79 Cb 0.29 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1wrk h VAL 79 CO -0.16 0.52 -0.18 -0.03 0.02 0.00 0.00 177.57 177.75 1wrk h MET 80 N 0.31 0.63 0.28 1.57 1.85 0.71 0.43 114.93 120.71 1wrk h MET 80 Ca 0.01 -0.22 -0.01 0.00 -0.61 0.00 0.00 59.70 58.87 1wrk h MET 80 Cb 0.98 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.97 1wrk h MET 80 CO 0.08 0.78 -0.13 0.52 -0.40 0.00 0.00 176.91 177.76 1wrk h MET 81 N 0.57 -0.36 -0.09 0.39 2.07 -0.63 -2.19 114.93 114.69 1wrk h MET 81 Ca 0.09 0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.79 1wrk h MET 81 Cb 0.62 0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 30.38 1wrk h MET 81 CO 0.04 -0.01 -0.22 0.28 1.07 0.00 0.00 176.91 178.07 1wrk h VAL 82 N -0.91 0.46 -0.51 -2.22 2.07 -1.00 -2.12 116.25 112.02 1wrk h VAL 82 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1wrk h VAL 82 Cb 0.51 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 1wrk h VAL 82 CO 0.06 0.00 -0.20 -0.09 0.02 0.00 0.00 177.57 177.36 1wrk h ARG 83 N -0.30 -0.09 -5.62 1.57 2.43 -0.21 -3.38 114.38 108.78 1wrk h ARG 83 Ca 0.09 0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.73 1wrk h ARG 83 Cb 0.43 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1wrk h ARG 83 CO -0.26 -0.06 1.60 -1.13 -1.51 0.00 0.00 179.97 178.61 1wrk n SER 84 N -5.40 2.01 0.00 -3.80 3.41 -0.80 -5.08 113.62 103.96 1wrk n SER 84 Ca 0.04 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1wrk n SER 84 Cb 0.31 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1wrk n SER 84 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03