#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpt n HIS 5 N 0.00 0.00 -4.67 2.13 -0.00 -1.26 -5.09 115.22 106.32 2wpt n HIS 5 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2wpt n HIS 5 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 2wpt n HIS 5 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2wpt s SER 6 N -4.15 3.82 0.40 0.26 1.04 -1.26 -4.95 113.70 108.86 2wpt s SER 6 Ca 0.00 -1.53 0.17 0.00 0.48 0.00 0.00 55.95 55.06 2wpt s SER 6 Cb 0.00 0.15 0.86 0.00 0.10 0.00 0.00 66.02 67.13 2wpt s SER 6 CO 0.00 -0.70 1.86 -0.29 0.98 0.00 0.00 173.24 175.09 2wpt h ILE 7 N 1.59 1.04 0.00 -1.02 2.10 -1.92 -1.63 117.51 117.67 2wpt h ILE 7 Ca -0.43 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.34 2wpt h ILE 7 Cb 1.28 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.67 2wpt h ILE 7 CO 0.75 0.31 0.00 -1.20 -1.08 0.00 0.00 178.15 176.93 2wpt n SER 8 N -3.89 0.00 0.02 2.19 7.64 -1.25 -1.31 113.62 117.03 2wpt n SER 8 Ca -0.02 0.16 0.13 0.00 1.01 0.00 0.00 58.87 60.16 2wpt n SER 8 Cb 0.39 -0.33 0.46 0.00 -1.01 0.00 0.00 64.21 63.72 2wpt n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wpt n ASP 9 N -1.33 0.29 -4.76 6.43 8.00 -0.61 -3.25 116.55 121.31 2wpt n ASP 9 Ca 0.06 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.48 2wpt n ASP 9 Cb 0.13 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 2wpt n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wpt s TYR 10 N -3.02 3.38 0.82 1.24 2.02 -0.42 -4.85 117.35 116.52 2wpt s TYR 10 Ca 0.12 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.04 2wpt s TYR 10 Cb 0.17 -1.93 0.09 0.00 -0.40 0.00 0.00 41.96 39.89 2wpt s TYR 10 CO 0.60 0.52 1.09 0.95 -1.57 0.00 0.00 175.55 177.14 2wpt s THR 11 N -0.66 3.03 0.18 -0.71 -4.23 -1.26 -0.54 115.64 111.45 2wpt s THR 11 Ca 0.12 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2wpt s THR 11 Cb -0.12 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.89 2wpt s THR 11 CO 0.02 -0.44 1.76 -0.08 -0.54 0.00 0.00 174.62 175.35 2wpt h GLU 12 N -1.25 0.92 -0.44 3.99 4.81 -1.92 0.20 114.58 120.88 2wpt h GLU 12 Ca -0.47 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 58.69 2wpt h GLU 12 Cb 1.26 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 2wpt h GLU 12 CO 0.56 0.75 0.08 0.00 -0.73 0.00 0.00 179.01 179.66 2wpt h ALA 13 N 1.12 0.48 -0.53 2.92 0.00 -1.94 -0.39 119.26 120.91 2wpt h ALA 13 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2wpt h ALA 13 Cb 0.14 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2wpt h ALA 13 CO -0.02 -0.33 0.31 0.93 0.00 0.00 0.00 179.25 180.14 2wpt h GLU 14 N 0.21 0.73 -0.64 0.00 5.08 -1.80 -1.32 114.58 116.84 2wpt h GLU 14 Ca 0.22 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2wpt h GLU 14 Cb 0.28 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2wpt h GLU 14 CO -0.30 0.54 0.17 0.35 -1.00 0.00 0.00 179.01 178.78 2wpt h PHE 15 N 0.71 1.02 -0.37 4.33 3.57 -0.75 -1.29 116.94 124.17 2wpt h PHE 15 Ca 0.19 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2wpt h PHE 15 Cb 0.01 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2wpt h PHE 15 CO -0.02 0.83 -0.10 1.25 -2.23 0.00 0.00 178.31 178.03 2wpt h LEU 16 N 0.95 0.62 -0.60 0.59 5.85 -0.77 -1.09 115.31 120.87 2wpt h LEU 16 Ca 0.21 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2wpt h LEU 16 Cb 0.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2wpt h LEU 16 CO -0.00 0.76 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.26 2wpt h GLU 17 N 0.59 0.82 -0.45 1.25 4.39 -0.81 0.11 114.58 120.48 2wpt h GLU 17 Ca 0.11 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2wpt h GLU 17 Cb 0.52 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2wpt h GLU 17 CO 0.03 0.99 0.20 0.35 -1.16 0.00 0.00 179.01 179.42 2wpt h PHE 18 N 0.70 0.66 -0.50 4.33 3.57 -0.90 -1.13 116.94 123.68 2wpt h PHE 18 Ca 0.09 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2wpt h PHE 18 Cb 0.81 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2wpt h PHE 18 CO 0.04 0.55 0.24 0.28 -2.23 0.00 0.00 178.31 177.19 2wpt h VAL 19 N 0.58 1.19 -0.62 1.41 2.07 -0.94 -2.04 116.25 117.90 2wpt h VAL 19 Ca 0.15 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.25 2wpt h VAL 19 Cb 0.15 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 2wpt h VAL 19 CO -0.02 0.22 0.08 0.11 0.02 0.00 0.00 177.57 177.98 2wpt h LYS 20 N 0.66 0.19 -0.49 1.57 1.57 -0.87 0.35 116.57 119.55 2wpt h LYS 20 Ca 0.17 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2wpt h LYS 20 Cb 0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 2wpt h LYS 20 CO -0.02 0.13 0.17 -0.22 -0.57 0.00 0.00 179.45 178.94 2wpt h LYS 21 N 0.20 0.33 -0.21 3.15 3.64 -0.61 -0.09 116.57 122.98 2wpt h LYS 21 Ca 0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2wpt h LYS 21 Cb 0.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2wpt h LYS 21 CO -0.46 0.22 0.08 0.82 -2.27 0.00 0.00 179.45 177.84 2wpt h ILE 22 N 0.34 1.17 0.00 2.00 2.04 -0.70 -0.70 117.51 121.66 2wpt h ILE 22 Ca 0.24 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2wpt h ILE 22 Cb 0.26 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2wpt h ILE 22 CO -0.25 0.16 -0.22 0.00 0.00 0.00 0.00 178.15 177.85 2wpt h ALA 23 N 0.92 1.47 -0.28 1.87 0.00 0.10 -0.66 119.26 122.68 2wpt h ALA 23 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wpt h ALA 23 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wpt h ALA 23 CO -0.01 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.06 2wpt n ARG 24 N -4.04 2.07 -3.85 0.00 1.74 -0.08 -4.97 116.66 107.52 2wpt n ARG 24 Ca -0.02 -1.62 -0.25 0.00 -0.77 0.00 0.00 57.85 55.20 2wpt n ARG 24 Cb 0.29 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2wpt n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wpt n ALA 25 N 0.83 -2.06 -1.15 7.54 0.00 -0.26 -4.91 120.51 120.50 2wpt n ALA 25 Ca 0.17 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.39 2wpt n ALA 25 Cb 0.44 -1.85 0.24 0.00 0.00 0.00 0.00 19.45 18.29 2wpt n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wpt n GLU 26 N -4.34 2.66 -0.75 0.00 1.02 -0.33 -4.98 120.64 113.92 2wpt n GLU 26 Ca -0.29 -2.99 -0.29 0.00 -0.02 0.00 0.00 57.16 53.57 2wpt n GLU 26 Cb 0.68 -1.89 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 2wpt n GLU 26 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wpt s GLY 27 N -2.00 1.58 0.34 0.62 0.00 -1.26 -4.92 107.32 101.67 2wpt s GLY 27 Ca 0.45 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.16 2wpt s GLY 27 CO 0.07 0.58 1.86 0.00 0.00 0.00 0.00 173.10 175.60 2wpt h ALA 28 N -2.28 1.35 -2.79 3.20 0.00 -1.93 -3.45 119.26 113.35 2wpt h ALA 28 Ca -0.56 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 2wpt h ALA 28 Cb 1.32 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2wpt h ALA 28 CO 0.51 0.44 -0.31 0.95 0.00 0.00 0.00 179.25 180.84 2wpt s THR 29 N -4.87 0.00 0.33 0.00 -4.23 -1.26 -5.00 115.64 100.61 2wpt s THR 29 Ca -0.07 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 2wpt s THR 29 Cb 0.15 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.85 2wpt s THR 29 CO 0.76 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.68 2wpt h GLU 30 N 2.32 0.86 0.00 3.99 4.81 -1.97 -1.76 114.58 122.83 2wpt h GLU 30 Ca -0.30 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2wpt h GLU 30 Cb 1.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2wpt h GLU 30 CO 0.42 0.57 -0.35 0.00 -0.73 0.00 0.00 179.01 178.91 2wpt h ASP 32 N 0.00 0.18 -0.74 0.00 3.58 -1.76 -1.87 116.42 115.80 2wpt h ASP 32 Ca -0.00 -0.37 0.17 0.00 0.42 0.00 0.00 57.03 57.24 2wpt h ASP 32 Cb 0.99 -0.05 -0.12 0.00 1.72 0.00 0.00 39.33 41.87 2wpt h ASP 32 CO 0.05 0.51 0.14 0.44 -2.88 0.00 0.00 179.24 177.50 2wpt h ASP 33 N -0.15 -0.06 -0.65 2.28 5.19 -0.97 0.12 116.42 122.18 2wpt h ASP 33 Ca 0.02 0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2wpt h ASP 33 Cb 0.43 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.14 2wpt h ASP 33 CO 0.01 -0.08 0.41 -1.13 -3.12 0.00 0.00 179.24 175.34 2wpt h ASN 34 N 0.23 0.69 -0.71 6.45 -1.24 -1.16 -0.91 115.58 118.93 2wpt h ASN 34 Ca 0.42 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.38 2wpt h ASN 34 Cb 0.74 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 2wpt h ASN 34 CO -0.55 0.49 0.27 0.50 -1.29 0.00 0.00 177.43 176.84 2wpt h LYS 35 N 0.82 1.06 -0.52 6.67 3.11 -0.40 -1.14 116.57 126.17 2wpt h LYS 35 Ca 0.25 -0.20 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2wpt h LYS 35 Cb -0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 2wpt h LYS 35 CO -0.08 0.89 0.20 -0.07 -2.81 0.00 0.00 179.45 177.57 2wpt h LEU 36 N 1.01 0.73 -0.32 5.20 3.38 -0.33 0.35 115.31 125.34 2wpt h LEU 36 Ca 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wpt h LEU 36 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wpt h LEU 36 CO -0.02 0.71 0.21 0.58 0.09 0.00 0.00 178.44 180.02 2wpt h VAL 37 N 0.71 1.08 -0.52 1.22 2.07 -0.98 0.26 116.25 120.09 2wpt h VAL 37 Ca 0.17 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2wpt h VAL 37 Cb 0.22 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2wpt h VAL 37 CO -0.01 0.08 0.20 -0.09 0.02 0.00 0.00 177.57 177.77 2wpt h ARG 38 N 0.43 0.74 -0.42 1.57 9.65 -0.95 -1.49 114.38 123.92 2wpt h ARG 38 Ca 0.12 -0.11 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 2wpt h ARG 38 Cb -0.05 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 2wpt h ARG 38 CO -0.03 0.62 -0.25 1.49 2.80 0.00 0.00 179.97 184.61 2wpt h GLU 39 N 0.74 0.87 -0.90 0.20 4.81 0.24 -0.69 114.58 119.85 2wpt h GLU 39 Ca 0.18 -0.37 0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2wpt h GLU 39 Cb 0.15 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 2wpt h GLU 39 CO -0.02 1.02 0.55 0.35 -0.73 0.00 0.00 179.01 180.19 2wpt h PHE 40 N 0.75 1.02 -0.33 0.92 3.57 0.13 0.34 116.94 123.35 2wpt h PHE 40 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2wpt h PHE 40 Cb 0.79 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2wpt h PHE 40 CO 0.05 0.48 0.10 0.93 -2.23 0.00 0.00 178.31 177.64 2wpt h GLU 41 N 0.97 0.51 -0.09 1.11 5.08 -0.78 -0.94 114.58 120.45 2wpt h GLU 41 Ca 0.41 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2wpt h GLU 41 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wpt h GLU 41 CO -0.20 0.55 0.03 -0.09 -1.00 0.00 0.00 179.01 178.31 2wpt h ARG 42 N 0.37 0.14 -0.39 2.33 2.43 -0.63 -1.68 114.38 116.94 2wpt h ARG 42 Ca 0.10 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2wpt h ARG 42 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2wpt h ARG 42 CO -0.00 0.27 0.03 -0.07 -1.51 0.00 0.00 179.97 178.69 2wpt h LEU 43 N -0.03 0.65 -0.14 3.80 3.38 -0.85 -3.23 115.31 118.90 2wpt h LEU 43 Ca 0.03 -0.29 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 2wpt h LEU 43 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wpt h LEU 43 CO -0.00 0.78 -0.97 0.71 0.09 0.00 0.00 178.44 179.05 2wpt h THR 44 N 0.51 1.59 -1.38 0.22 1.35 -1.20 -3.38 112.91 110.62 2wpt h THR 44 Ca 0.12 -3.01 -0.39 0.00 -0.55 0.00 0.00 66.41 62.57 2wpt h THR 44 Cb 0.42 2.69 -0.14 0.00 -1.73 0.00 0.00 68.15 69.39 2wpt h THR 44 CO 0.01 0.87 -0.37 -0.62 -0.25 0.00 0.00 175.52 175.16 2wpt n GLU 45 N -3.51 -1.47 -2.70 4.72 1.02 -0.63 -4.94 120.64 113.13 2wpt n GLU 45 Ca -0.02 1.10 -0.41 0.00 -0.02 0.00 0.00 57.16 57.80 2wpt n GLU 45 Cb 0.88 -5.50 -0.04 0.00 -0.02 0.00 0.00 31.44 26.76 2wpt n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2wpt s HIS 46 N -2.67 3.76 0.22 -0.32 2.46 -1.26 -4.92 115.29 112.55 2wpt s HIS 46 Ca 0.00 1.75 0.34 0.00 0.47 0.00 0.00 55.06 57.62 2wpt s HIS 46 Cb 0.00 -3.10 1.50 0.00 -0.13 0.00 0.00 32.58 30.85 2wpt s HIS 46 CO 0.00 0.05 2.04 -1.00 -2.47 0.00 0.00 174.74 173.36 2wpt h PRO 47 N 5.78 0.00 0.00 2.88 0.13 -1.95 -1.29 132.00 137.54 2wpt h PRO 47 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wpt h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wpt h PRO 47 CO 0.73 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 2wpt n ASP 48 N -3.16 0.34 0.00 1.44 8.00 -1.26 -4.96 116.55 116.95 2wpt n ASP 48 Ca -0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2wpt n ASP 48 Cb 0.28 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2wpt n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpt n GLY 49 N 0.95 3.02 0.14 0.44 0.00 -0.49 -0.99 105.19 108.25 2wpt n GLY 49 Ca 0.05 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2wpt n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wpt n SER 50 N 2.78 0.65 0.28 1.61 3.41 -1.26 -1.83 113.62 119.26 2wpt n SER 50 Ca 0.00 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 2wpt n SER 50 Cb 0.00 -0.81 0.83 0.00 -0.26 0.00 0.00 64.21 63.96 2wpt n SER 50 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wpt h ASP 51 N 0.00 0.00 0.09 4.04 3.32 -1.40 -0.80 116.42 121.68 2wpt h ASP 51 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2wpt h ASP 51 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2wpt h ASP 51 CO 0.00 0.06 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.39 2wpt h LEU 52 N 0.00 0.07 0.11 1.55 3.38 -1.50 0.77 115.31 119.68 2wpt h LEU 52 Ca -0.00 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2wpt h LEU 52 Cb 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wpt h LEU 52 CO 0.01 0.20 -1.21 0.40 0.09 0.00 0.00 178.44 177.93 2wpt h ILE 53 N 0.07 1.16 0.00 1.22 2.04 -1.37 -3.39 117.51 117.24 2wpt h ILE 53 Ca 0.02 -2.41 -0.06 0.00 1.00 0.00 0.00 64.86 63.41 2wpt h ILE 53 Cb 0.26 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2wpt h ILE 53 CO 0.02 0.67 -1.78 -1.22 0.00 0.00 0.00 178.15 175.84 2wpt n TYR 54 N -4.04 0.00 -3.00 1.37 4.01 -0.85 -4.69 117.16 109.96 2wpt n TYR 54 Ca -0.22 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.37 2wpt n TYR 54 Cb 0.85 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 2wpt n TYR 54 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wpt n TYR 55 N -2.16 0.41 -1.95 -0.72 4.01 0.22 -5.06 117.16 111.93 2wpt n TYR 55 Ca -0.08 -3.41 -0.33 0.00 -0.16 0.00 0.00 57.90 53.92 2wpt n TYR 55 Cb 0.54 -0.34 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2wpt n TYR 55 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wpt s PRO 56 N -2.58 3.16 0.75 -0.72 0.04 -0.96 -4.62 135.00 130.07 2wpt s PRO 56 Ca 0.35 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2wpt s PRO 56 Cb 0.39 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.97 2wpt s PRO 56 CO -0.04 -0.94 1.22 -0.98 0.04 0.00 0.00 177.00 176.30 2wpt s ARG 57 N -4.13 2.00 0.00 4.56 1.70 -1.26 -4.92 118.95 116.90 2wpt s ARG 57 Ca 0.64 1.82 0.29 0.00 -0.47 0.00 0.00 55.73 58.01 2wpt s ARG 57 Cb -0.17 -1.81 1.19 0.00 -0.57 0.00 0.00 34.95 33.58 2wpt s ARG 57 CO 0.39 -1.96 1.82 -0.40 -1.08 0.00 0.00 175.30 174.07 2wpt n ASP 58 N -2.82 1.25 -1.28 -2.89 5.75 -1.26 -3.85 116.55 111.45 2wpt n ASP 58 Ca 0.14 -1.41 0.08 0.00 -0.01 0.00 0.00 54.79 53.59 2wpt n ASP 58 Cb 0.50 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.87 2wpt n ASP 58 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wpt n ASP 59 N -0.03 3.75 -4.12 -1.12 5.75 -1.26 -4.90 116.55 114.63 2wpt n ASP 59 Ca 0.20 -2.31 -0.11 0.00 -0.01 0.00 0.00 54.79 52.56 2wpt n ASP 59 Cb 0.32 -0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 2wpt n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wpt s ARG 60 N -1.72 1.30 0.15 0.11 1.04 -1.25 -5.13 118.95 113.45 2wpt s ARG 60 Ca 0.40 -1.48 -0.30 0.00 -1.04 0.00 0.00 55.73 53.31 2wpt s ARG 60 Cb 0.25 0.34 -0.08 0.00 -2.04 0.00 0.00 34.95 33.43 2wpt s ARG 60 CO 0.20 -0.47 1.25 -2.00 -0.04 0.00 0.00 175.30 174.24 2wpt s GLU 61 N -4.10 4.43 -1.08 3.89 2.12 -1.26 -4.93 118.70 117.77 2wpt s GLU 61 Ca 0.32 1.92 -0.19 0.00 0.36 0.00 0.00 54.97 57.38 2wpt s GLU 61 Cb 0.04 -3.25 0.11 0.00 0.26 0.00 0.00 34.13 31.28 2wpt s GLU 61 CO 0.10 -0.20 1.39 0.34 -0.54 0.00 0.00 175.26 176.34 2wpt s ASP 62 N 0.50 6.72 0.15 -1.70 2.15 -1.26 -4.15 116.67 119.08 2wpt s ASP 62 Ca 0.56 -2.15 -0.24 0.00 0.43 0.00 0.00 52.55 51.15 2wpt s ASP 62 Cb -0.33 -2.48 0.07 0.00 -0.30 0.00 0.00 42.92 39.87 2wpt s ASP 62 CO 0.34 -1.14 0.76 -0.94 -0.17 0.00 0.00 175.17 174.02 2wpt s SER 63 N 3.94 -0.39 0.31 -0.34 1.04 -1.26 -4.99 113.70 112.01 2wpt s SER 63 Ca 0.42 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.68 2wpt s SER 63 Cb -0.01 0.56 0.60 0.00 0.10 0.00 0.00 66.02 67.26 2wpt s SER 63 CO -0.05 -0.96 1.88 -0.65 0.98 0.00 0.00 173.24 174.44 2wpt h PRO 64 N 2.00 0.92 -0.70 4.02 0.11 -1.92 0.41 132.00 136.85 2wpt h PRO 64 Ca -0.26 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 2wpt h PRO 64 Cb 1.27 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2wpt h PRO 64 CO 0.31 0.61 0.28 0.93 -0.21 0.00 0.00 178.00 179.92 2wpt h GLU 65 N 0.95 1.04 -0.75 1.05 3.07 -1.94 -0.46 114.58 117.54 2wpt h GLU 65 Ca 0.44 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 59.05 2wpt h GLU 65 Cb 0.40 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2wpt h GLU 65 CO -0.20 0.86 0.25 0.78 -1.40 0.00 0.00 179.01 179.30 2wpt h GLY 66 N 0.99 1.24 0.90 -3.84 0.00 -1.47 0.57 103.07 101.46 2wpt h GLY 66 Ca 0.23 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2wpt h GLY 66 CO -0.02 0.68 -0.01 -2.22 0.00 0.00 0.00 176.54 174.97 2wpt h ILE 67 N 1.11 1.26 -0.53 2.60 2.04 -0.57 -1.29 117.51 122.13 2wpt h ILE 67 Ca 0.24 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2wpt h ILE 67 Cb 0.29 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2wpt h ILE 67 CO -0.01 0.32 -0.06 0.58 0.00 0.00 0.00 178.15 178.97 2wpt h VAL 68 N 0.38 1.26 -0.63 1.67 2.07 -0.90 -1.68 116.25 118.42 2wpt h VAL 68 Ca 0.09 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2wpt h VAL 68 Cb 0.46 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2wpt h VAL 68 CO 0.02 0.42 0.35 0.50 0.02 0.00 0.00 177.57 178.88 2wpt h LYS 69 N 0.86 0.88 -0.46 1.57 3.64 -0.73 -0.15 116.57 122.18 2wpt h LYS 69 Ca 0.15 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2wpt h LYS 69 Cb 0.60 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2wpt h LYS 69 CO 0.04 0.66 0.25 1.49 -2.27 0.00 0.00 179.45 179.62 2wpt h GLU 70 N 0.86 0.64 -0.20 1.90 4.81 -0.82 -0.15 114.58 121.62 2wpt h GLU 70 Ca 0.22 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2wpt h GLU 70 Cb 0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2wpt h GLU 70 CO -0.04 0.51 0.11 0.82 -0.73 0.00 0.00 179.01 179.68 2wpt h ILE 71 N 0.60 1.12 -0.29 2.32 1.08 -1.13 0.75 117.51 121.95 2wpt h ILE 71 Ca 0.16 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2wpt h ILE 71 Cb 0.06 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2wpt h ILE 71 CO -0.03 0.11 0.19 0.50 -0.69 0.00 0.00 178.15 178.24 2wpt h LYS 72 N 0.21 0.38 -0.35 2.37 3.64 -0.77 0.52 116.57 122.58 2wpt h LYS 72 Ca 0.07 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2wpt h LYS 72 Cb 0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wpt h LYS 72 CO -0.01 0.26 -0.04 0.93 -2.27 0.00 0.00 179.45 178.32 2wpt h GLU 73 N 0.39 0.64 -0.05 1.90 5.08 -0.91 -2.56 114.58 119.08 2wpt h GLU 73 Ca 0.11 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2wpt h GLU 73 Cb -0.04 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2wpt h GLU 73 CO -0.02 0.78 0.03 2.35 -1.00 0.00 0.00 179.01 181.14 2wpt h TRP 74 N 0.44 0.06 -0.78 4.33 7.01 -0.68 -0.57 115.95 125.76 2wpt h TRP 74 Ca 0.09 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2wpt h TRP 74 Cb 0.51 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.51 2wpt h TRP 74 CO 0.04 0.12 0.50 0.00 -2.79 0.00 0.00 178.44 176.31 2wpt h ARG 75 N -0.01 0.95 -0.27 2.65 3.08 -0.89 -1.74 114.38 118.14 2wpt h ARG 75 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2wpt h ARG 75 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2wpt h ARG 75 CO -0.00 0.63 0.03 0.00 -1.07 0.00 0.00 179.97 179.56 2wpt h ALA 76 N 1.33 0.36 0.00 0.04 0.00 -1.28 0.21 119.26 119.92 2wpt h ALA 76 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wpt h ALA 76 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wpt h ALA 76 CO -0.11 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 2wpt h ALA 77 N 0.85 1.02 -0.56 0.00 0.00 -0.92 -2.70 119.26 116.95 2wpt h ALA 77 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wpt h ALA 77 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wpt h ALA 77 CO 0.01 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.41 2wpt n ASN 78 N -3.18 4.75 0.00 0.00 3.02 -0.67 -4.94 115.26 114.25 2wpt n ASN 78 Ca 0.00 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2wpt n ASN 78 Cb 0.32 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2wpt n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wpt n GLY 79 N 0.75 0.42 3.90 7.41 0.00 -1.02 -5.02 105.19 111.64 2wpt n GLY 79 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2wpt n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpt s LYS 80 N -0.43 3.60 0.92 1.61 1.02 0.72 -5.01 119.74 122.17 2wpt s LYS 80 Ca 0.00 0.18 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 2wpt s LYS 80 Cb 0.00 -2.44 0.15 0.00 -0.52 0.00 0.00 37.83 35.01 2wpt s LYS 80 CO 0.00 -0.07 1.14 -1.54 -0.92 0.00 0.00 175.35 173.96 2wpt s SER 81 N -3.76 2.92 0.00 2.83 1.04 -1.26 -4.37 113.70 111.10 2wpt s SER 81 Ca 0.47 2.17 0.00 0.00 0.48 0.00 0.00 55.95 59.07 2wpt s SER 81 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2wpt s SER 81 CO 0.39 -3.10 0.00 0.61 0.98 0.00 0.00 173.24 172.11 2wpt n GLY 82 N 0.18 6.47 3.78 7.32 0.00 -1.26 -4.82 105.19 116.86 2wpt n GLY 82 Ca 0.12 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 2wpt n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpt s PHE 83 N 1.09 2.81 0.29 1.61 2.99 -1.26 -3.76 117.98 121.74 2wpt s PHE 83 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 56.93 58.19 2wpt s PHE 83 Cb 0.00 -3.19 -0.11 0.00 0.00 0.00 0.00 43.02 39.72 2wpt s PHE 83 CO 0.00 -1.27 1.56 0.21 -0.00 0.00 0.00 175.22 175.72 2wpt s LYS 84 N -3.31 4.15 0.00 0.44 2.20 0.30 -4.92 119.74 118.61 2wpt s LYS 84 Ca 0.70 2.52 0.31 0.00 -0.36 0.00 0.00 55.97 59.14 2wpt s LYS 84 Cb -0.21 -3.04 1.62 0.00 -1.51 0.00 0.00 37.83 34.69 2wpt s LYS 84 CO 0.25 -0.59 2.07 1.04 -0.36 0.00 0.00 175.35 177.76