#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaw h PRO 33 N 0.00 0.00 -0.34 0.00 0.13 -1.98 -2.14 132.00 127.67 3kaw h PRO 33 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 3kaw h PRO 33 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3kaw h PRO 33 CO 0.00 0.15 -0.40 0.93 -0.23 0.00 0.00 178.00 178.45 3kaw h GLU 34 N 0.00 0.83 -0.36 0.86 3.07 -1.95 -2.78 114.58 114.26 3kaw h GLU 34 Ca -0.00 -0.44 -0.11 0.00 -0.50 0.00 0.00 59.36 58.31 3kaw h GLU 34 Cb 0.26 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3kaw h GLU 34 CO 0.02 1.07 -0.20 1.49 -1.40 0.00 0.00 179.01 179.99 3kaw h GLU 35 N 0.67 0.76 -0.38 2.33 4.57 -1.79 -1.53 114.58 119.22 3kaw h GLU 35 Ca 0.05 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3kaw h GLU 35 Cb 0.97 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 3kaw h GLU 35 CO 0.09 0.96 0.17 0.07 -1.18 0.00 0.00 179.01 179.12 3kaw h ARG 36 N 0.55 0.53 -0.27 1.92 0.11 -1.41 -1.00 114.38 114.80 3kaw h ARG 36 Ca 0.08 -0.06 -0.16 0.00 0.10 0.00 0.00 59.98 59.93 3kaw h ARG 36 Cb 0.75 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3kaw h ARG 36 CO 0.06 0.43 -0.47 0.00 0.10 0.00 0.00 179.97 180.08 3kaw h ARG 38 N 0.55 1.05 -0.25 0.00 2.43 -0.42 0.27 114.38 118.01 3kaw h ARG 38 Ca 0.02 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3kaw h ARG 38 Cb 1.08 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3kaw h ARG 38 CO 0.11 0.77 0.05 -0.07 -1.51 0.00 0.00 179.97 179.32 3kaw h LEU 39 N 1.04 0.38 -1.22 3.80 4.07 -1.20 -0.48 115.31 121.71 3kaw h LEU 39 Ca 0.27 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 3kaw h LEU 39 Cb 0.03 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 3kaw h LEU 39 CO -0.04 0.53 0.27 0.00 -1.08 0.00 0.00 178.44 178.12 3kaw h ALA 40 N 0.87 1.40 0.49 1.53 0.00 -0.97 0.14 119.26 122.72 3kaw h ALA 40 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 40 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kaw h ALA 40 CO 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 179.49 3kaw h ALA 41 N 1.49 -0.66 -0.98 0.00 0.00 -0.09 -0.01 119.26 119.02 3kaw h ALA 41 Ca 0.20 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kaw h ALA 41 Cb 0.09 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3kaw h ALA 41 CO -0.03 -0.83 0.62 1.96 0.00 0.00 0.00 179.25 180.98 3kaw h GLN 42 N -0.73 0.96 -0.22 0.00 7.50 -0.63 0.99 115.11 122.98 3kaw h GLN 42 Ca -0.07 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 58.98 3kaw h GLN 42 Cb 0.54 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 3kaw h GLN 42 CO 0.11 0.64 -0.08 0.00 -1.50 0.00 0.00 178.83 178.00 3kaw h ALA 43 N 1.53 1.46 -0.29 3.87 0.00 -0.31 -1.99 119.26 123.52 3kaw h ALA 43 Ca 0.47 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3kaw h ALA 43 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kaw h ALA 43 CO -0.23 0.38 -0.48 0.00 0.00 0.00 0.00 179.25 178.92 3kaw h ILE 45 N 0.62 0.04 -0.56 0.00 1.08 -0.49 -0.34 117.51 117.86 3kaw h ILE 45 Ca 0.03 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.60 3kaw h ILE 45 Cb 1.06 0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 3kaw h ILE 45 CO 0.10 0.00 0.11 0.03 -0.69 0.00 0.00 178.15 177.70 3kaw h ARG 46 N -1.02 0.24 -0.50 2.37 3.08 -1.40 0.75 114.38 117.89 3kaw h ARG 46 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kaw h ARG 46 Cb 0.87 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3kaw h ARG 46 CO -0.03 0.16 0.32 0.00 -1.07 0.00 0.00 179.97 179.35 3kaw h ALA 47 N 1.45 0.64 -0.35 0.04 0.00 -1.19 -0.28 119.26 119.57 3kaw h ALA 47 Ca 0.29 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3kaw h ALA 47 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kaw h ALA 47 CO -0.38 0.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.68 3kaw h GLU 49 N 0.63 0.86 -0.05 0.00 5.08 -0.59 0.06 114.58 120.56 3kaw h GLU 49 Ca 0.07 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3kaw h GLU 49 Cb 0.81 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3kaw h GLU 49 CO 0.07 1.03 -0.02 -0.09 -1.00 0.00 0.00 179.01 179.00 3kaw h ARG 50 N 0.67 -0.01 -0.42 2.33 9.65 -0.99 -1.05 114.38 124.56 3kaw h ARG 50 Ca 0.08 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 3kaw h ARG 50 Cb 0.79 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 3kaw h ARG 50 CO 0.07 -0.00 0.20 -0.92 2.80 0.00 0.00 179.97 182.11 3kaw h TYR 51 N -0.01 0.61 -0.76 2.20 3.20 -1.33 -1.22 116.97 119.67 3kaw h TYR 51 Ca 0.03 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3kaw h TYR 51 Cb 0.05 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3kaw h TYR 51 CO -0.12 0.51 0.49 1.25 -1.64 0.00 0.00 178.16 178.64 3kaw h LEU 52 N 0.54 0.81 -3.26 2.82 6.46 -0.71 -2.00 115.31 119.97 3kaw h LEU 52 Ca 0.14 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3kaw h LEU 52 Cb 0.13 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3kaw h LEU 52 CO -0.02 0.57 0.00 0.00 -0.62 0.00 0.00 178.44 178.37 3kaw n ALA 53 N -2.32 3.30 0.00 1.25 0.00 -0.42 -4.57 120.51 117.74 3kaw n ALA 53 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3kaw n ALA 53 Cb 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3kaw n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kaw n LEU 54 N 0.91 0.00 -4.71 0.00 4.32 -0.47 -5.02 117.00 112.02 3kaw n LEU 54 Ca 0.26 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.83 3kaw n LEU 54 Cb 0.97 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.74 3kaw n LEU 54 CO 0.26 0.00 0.78 0.00 -1.22 0.00 0.00 177.39 177.21 3kaw n THR 56 N 3.78 0.15 0.65 0.00 -1.04 -1.26 -4.15 114.28 112.41 3kaw n THR 56 Ca 0.07 -0.19 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 3kaw n THR 56 Cb 0.48 0.22 0.13 0.00 -1.82 0.00 0.00 70.33 69.35 3kaw n THR 56 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kaw n GLU 57 N -1.87 2.11 -1.82 -2.82 4.71 -1.26 -5.00 120.64 114.69 3kaw n GLU 57 Ca 0.03 -1.92 -0.35 0.00 -0.01 0.00 0.00 57.16 54.91 3kaw n GLU 57 Cb 0.41 -1.43 0.05 0.00 -1.01 0.00 0.00 31.44 29.46 3kaw n GLU 57 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kaw s SER 58 N -1.62 4.93 0.46 1.62 1.04 -1.26 -5.04 113.70 113.83 3kaw s SER 58 Ca 0.29 2.30 0.08 0.00 0.48 0.00 0.00 55.95 59.10 3kaw s SER 58 Cb 0.19 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.74 3kaw s SER 58 CO 0.27 -1.76 0.53 -0.94 0.98 0.00 0.00 173.24 172.32 3kaw s SER 59 N -1.90 5.22 0.30 7.02 1.04 -1.26 -4.96 113.70 119.16 3kaw s SER 59 Ca 0.74 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 56.51 3kaw s SER 59 Cb -0.28 -0.32 0.47 0.00 0.10 0.00 0.00 66.02 65.99 3kaw s SER 59 CO 0.38 -0.87 1.74 0.08 0.98 0.00 0.00 173.24 175.54 3kaw h ARG 60 N 0.70 0.39 -0.33 4.02 0.11 -1.99 -0.84 114.38 116.45 3kaw h ARG 60 Ca -0.38 -0.15 -0.03 0.00 0.10 0.00 0.00 59.98 59.53 3kaw h ARG 60 Cb 1.28 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3kaw h ARG 60 CO 0.50 0.63 0.10 0.93 0.10 0.00 0.00 179.97 182.24 3kaw h GLU 61 N 0.34 0.51 -0.54 0.08 3.07 -1.99 -1.17 114.58 114.89 3kaw h GLU 61 Ca 0.05 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3kaw h GLU 61 Cb 0.67 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3kaw h GLU 61 CO 0.05 0.55 -0.01 1.96 -1.40 0.00 0.00 179.01 180.16 3kaw h GLN 62 N 0.38 0.92 -0.16 2.33 4.20 -1.85 -1.88 115.11 119.05 3kaw h GLN 62 Ca 0.11 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 3kaw h GLN 62 Cb 0.25 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3kaw h GLN 62 CO -0.00 0.92 -0.29 0.00 -0.67 0.00 0.00 178.83 178.79 3kaw h ARG 63 N 0.85 0.31 -0.25 1.46 3.08 -0.95 -1.83 114.38 117.05 3kaw h ARG 63 Ca 0.16 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 3kaw h ARG 63 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3kaw h ARG 63 CO 0.03 0.57 -0.45 0.37 -1.07 0.00 0.00 179.97 179.42 3kaw h GLN 64 N 0.27 0.64 0.66 0.04 4.15 -0.88 -0.53 115.11 119.46 3kaw h GLN 64 Ca 0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 3kaw h GLN 64 Cb 0.65 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.37 3kaw h GLN 64 CO 0.05 0.96 -0.32 0.45 -1.93 0.00 0.00 178.83 178.04 3kaw h HIS 65 N 0.52 -0.82 -0.84 3.99 3.86 -0.93 -0.93 115.15 120.00 3kaw h HIS 65 Ca 0.03 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3kaw h HIS 65 Cb 0.98 0.27 -0.05 0.00 1.06 0.00 0.00 27.41 29.68 3kaw h HIS 65 CO 0.05 -0.48 0.55 0.00 0.86 0.00 0.00 177.93 178.90 3kaw h ALA 66 N -0.79 1.08 -0.38 2.45 0.00 -1.37 0.23 119.26 120.49 3kaw h ALA 66 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kaw h ALA 66 Cb 0.72 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kaw h ALA 66 CO 0.15 0.41 0.18 0.78 0.00 0.00 0.00 179.25 180.78 3kaw h GLY 67 N 1.09 0.59 1.62 0.00 0.00 -1.05 0.78 103.07 106.10 3kaw h GLY 67 Ca 0.32 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 3kaw h GLY 67 CO -0.09 0.28 -0.70 -0.55 0.00 0.00 0.00 176.54 175.48 3kaw h ASP 68 N 0.48 0.44 -0.65 0.19 3.32 -0.95 -1.98 116.42 117.27 3kaw h ASP 68 Ca 0.13 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 3kaw h ASP 68 Cb 0.12 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kaw h ASP 68 CO -0.02 1.00 0.13 0.00 -1.72 0.00 0.00 179.24 178.64 3kaw h ALA 70 N 1.05 0.58 -0.62 0.00 0.00 -0.72 -0.28 119.26 119.27 3kaw h ALA 70 Ca 0.20 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kaw h ALA 70 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kaw h ALA 70 CO 0.01 0.22 0.13 -0.44 0.00 0.00 0.00 179.25 179.16 3kaw h ASP 71 N 0.58 0.96 -0.27 0.00 3.32 -0.94 -0.96 116.42 119.10 3kaw h ASP 71 Ca 0.15 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3kaw h ASP 71 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3kaw h ASP 71 CO -0.01 0.95 0.14 -0.07 -1.72 0.00 0.00 179.24 178.53 3kaw h LEU 72 N 0.91 0.35 -1.83 1.55 3.38 -0.42 -1.85 115.31 117.40 3kaw h LEU 72 Ca 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kaw h LEU 72 Cb 0.39 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kaw h LEU 72 CO 0.01 0.36 -0.14 0.00 0.09 0.00 0.00 178.44 178.75 3kaw h ARG 74 N 0.00 0.34 -0.49 0.00 9.65 -0.38 -0.61 114.38 122.89 3kaw h ARG 74 Ca -0.00 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.67 3kaw h ARG 74 Cb 0.36 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3kaw h ARG 74 CO 0.02 0.51 -0.14 1.25 2.80 0.00 0.00 179.97 184.40 3kaw h LEU 75 N 0.13 0.97 0.05 3.80 6.46 -0.95 -2.55 115.31 123.22 3kaw h LEU 75 Ca 0.06 -0.37 0.02 0.00 -0.12 0.00 0.00 57.88 57.47 3kaw h LEU 75 Cb 0.33 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 3kaw h LEU 75 CO 0.01 1.12 -0.22 0.00 -0.62 0.00 0.00 178.44 178.73 3kaw h ALA 76 N 0.88 -0.32 -0.30 1.25 0.00 -1.17 -0.92 119.26 118.68 3kaw h ALA 76 Ca 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3kaw h ALA 76 Cb 0.71 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kaw h ALA 76 CO 0.05 -0.73 0.21 0.00 0.00 0.00 0.00 179.25 178.79 3kaw h ALA 77 N 0.46 2.22 -0.34 0.00 0.00 -1.02 -0.75 119.26 119.84 3kaw h ALA 77 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 77 Cb 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kaw h ALA 77 CO -0.17 -0.30 -0.20 -0.07 0.00 0.00 0.00 179.25 178.51 3kaw h LEU 78 N 0.05 0.76 -0.63 0.00 3.38 -0.76 0.93 115.31 119.05 3kaw h LEU 78 Ca 0.14 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3kaw h LEU 78 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kaw h LEU 78 CO -0.01 1.02 -0.23 -0.07 0.09 0.00 0.00 178.44 179.24 3kaw h LEU 79 N 0.50 0.00 0.07 1.67 3.38 -0.78 -3.07 115.31 117.08 3kaw h LEU 79 Ca 0.07 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 3kaw h LEU 79 Cb 0.75 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.53 3kaw h LEU 79 CO 0.06 0.23 -1.10 -0.07 0.09 0.00 0.00 178.44 177.64 3kaw h LEU 80 N 0.00 0.85 0.12 1.67 4.07 -0.95 0.49 115.31 121.57 3kaw h LEU 80 Ca -0.00 -0.79 0.02 0.00 0.08 0.00 0.00 57.88 57.18 3kaw h LEU 80 Cb 0.94 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 3kaw h LEU 80 CO 0.03 1.55 -0.36 -0.33 -1.08 0.00 0.00 178.44 178.24 3kaw h GLU 81 N 0.25 -0.57 -0.05 1.13 5.08 -0.73 0.15 114.58 119.84 3kaw h GLU 81 Ca -0.16 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kaw h GLU 81 Cb 1.78 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.16 3kaw h GLU 81 CO 0.21 -0.38 0.00 0.54 -1.00 0.00 0.00 179.01 178.38 3kaw n ARG 82 N -5.44 1.13 -3.49 2.33 1.74 -1.17 -4.93 116.66 106.83 3kaw n ARG 82 Ca -0.07 -0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 56.60 3kaw n ARG 82 Cb 0.35 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3kaw n ARG 82 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3kaw n ARG 83 N -0.43 -1.25 -2.94 5.56 1.85 0.52 -4.92 116.66 115.04 3kaw n ARG 83 Ca 0.06 0.63 -0.31 0.00 -1.00 0.00 0.00 57.85 57.24 3kaw n ARG 83 Cb 0.07 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 29.71 3kaw n ARG 83 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3kaw s SER 84 N -2.64 6.58 0.15 2.89 0.15 0.16 -4.97 113.70 116.02 3kaw s SER 84 Ca 0.03 1.15 0.20 0.00 0.70 0.00 0.00 55.95 58.03 3kaw s SER 84 Cb -0.00 -2.33 0.84 0.00 -1.71 0.00 0.00 66.02 62.82 3kaw s SER 84 CO 0.71 -0.34 1.62 -0.81 1.20 0.00 0.00 173.24 175.61 3kaw n PRO 85 N -1.06 0.12 -0.02 5.44 -0.04 -1.26 -1.79 135.00 136.38 3kaw n PRO 85 Ca 0.02 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 3kaw n PRO 85 Cb 0.54 -1.72 0.28 0.00 -0.04 0.00 0.00 33.50 32.56 3kaw n PRO 85 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3kaw n TRP 86 N -1.94 0.06 -0.07 0.54 8.01 -1.26 -4.41 117.44 118.36 3kaw n TRP 86 Ca 0.03 -0.03 -0.07 0.00 -1.31 0.00 0.00 57.50 56.11 3kaw n TRP 86 Cb 0.21 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3kaw n TRP 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kaw h ALA 87 N 4.52 0.29 -0.77 6.99 0.00 -1.62 -2.54 119.26 126.13 3kaw h ALA 87 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3kaw h ALA 87 Cb 0.78 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3kaw h ALA 87 CO 0.00 -0.36 0.50 -1.00 0.00 0.00 0.00 179.25 178.39 3kaw h PRO 88 N 0.15 0.71 -0.34 0.00 0.13 -1.78 -0.05 132.00 130.83 3kaw h PRO 88 Ca 0.13 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 3kaw h PRO 88 Cb 0.14 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 3kaw h PRO 88 CO -0.17 0.47 -0.28 0.00 -0.23 0.00 0.00 178.00 177.79 3kaw h ALA 89 N 1.60 0.88 -0.02 -0.56 0.00 -1.76 -1.34 119.26 118.05 3kaw h ALA 89 Ca 0.35 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3kaw h ALA 89 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kaw h ALA 89 CO -0.13 0.63 -0.66 0.00 0.00 0.00 0.00 179.25 179.09 3kaw h ALA 90 N 1.09 0.86 -0.04 0.00 0.00 -0.94 -2.82 119.26 117.40 3kaw h ALA 90 Ca 0.08 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3kaw h ALA 90 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kaw h ALA 90 CO 0.06 0.80 -0.44 0.00 0.00 0.00 0.00 179.25 179.67 3kaw h GLU 92 N 0.08 -0.15 0.22 0.00 4.57 -1.01 0.03 114.58 118.31 3kaw h GLU 92 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3kaw h GLU 92 Cb 0.81 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3kaw h GLU 92 CO 0.06 0.01 -0.10 1.25 -1.18 0.00 0.00 179.01 179.05 3kaw h LEU 93 N -0.28 -0.25 -1.25 1.64 5.85 -1.41 -1.93 115.31 117.68 3kaw h LEU 93 Ca -0.02 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3kaw h LEU 93 Cb 0.23 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3kaw h LEU 93 CO 0.03 -0.04 0.53 0.00 -0.34 0.00 0.00 178.44 178.62 3kaw h ALA 94 N 0.29 1.54 -0.03 1.25 0.00 -1.28 -2.56 119.26 118.48 3kaw h ALA 94 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 94 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kaw h ALA 94 CO 0.05 0.37 -0.00 0.00 0.00 0.00 0.00 179.25 179.67 3kaw h ALA 95 N 1.54 0.04 -1.00 0.00 0.00 -0.88 0.11 119.26 119.06 3kaw h ALA 95 Ca 0.32 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3kaw h ALA 95 Cb 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 3kaw h ALA 95 CO -0.10 -0.29 0.62 -0.09 0.00 0.00 0.00 179.25 179.39 3kaw h ARG 96 N -0.26 0.84 0.00 0.00 2.43 -0.99 -0.99 114.38 115.41 3kaw h ARG 96 Ca 0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3kaw h ARG 96 Cb 0.33 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3kaw h ARG 96 CO 0.00 0.55 -0.87 1.88 -1.51 0.00 0.00 179.97 180.03 3kaw h TYR 97 N 0.86 0.00 -0.47 2.20 0.05 -1.38 -3.23 116.97 115.01 3kaw h TYR 97 Ca 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.29 3kaw h TYR 97 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 3kaw h TYR 97 CO -0.00 0.16 0.17 0.00 -1.05 0.00 0.00 178.16 177.43 3kaw h ALA 98 N 1.84 0.61 0.00 3.88 0.00 0.53 0.34 119.26 126.47 3kaw h ALA 98 Ca -0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3kaw h ALA 98 Cb 1.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kaw h ALA 98 CO 0.01 0.24 -0.34 1.37 0.00 0.00 0.00 179.25 180.53 3kaw h LEU 99 N 0.62 0.00 -0.70 0.00 8.10 -1.47 -1.40 115.31 120.46 3kaw h LEU 99 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.03 3kaw h LEU 99 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 3kaw h LEU 99 CO -0.01 0.34 -0.23 0.00 -4.11 0.00 0.00 178.44 174.43 3kaw h ALA 100 N 1.66 0.89 -0.27 0.17 0.00 -1.35 -0.77 119.26 119.58 3kaw h ALA 100 Ca -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3kaw h ALA 100 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kaw h ALA 100 CO 0.04 0.63 -0.39 0.00 0.00 0.00 0.00 179.25 179.53 3kaw h ALA 102 N 1.04 0.57 -0.22 0.00 0.00 -0.88 0.71 119.26 120.48 3kaw h ALA 102 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3kaw h ALA 102 Cb 0.90 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3kaw h ALA 102 CO 0.08 0.30 0.12 -0.85 0.00 0.00 0.00 179.25 178.90 3kaw n GLU 103 N -4.48 1.46 0.00 0.00 0.28 -0.33 -2.70 120.64 114.88 3kaw n GLU 103 Ca -0.00 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.26 3kaw n GLU 103 Cb 0.25 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.74 3kaw n GLU 103 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3kaw n ARG 104 N 0.11 1.85 0.00 3.44 1.74 -1.11 -4.89 116.66 117.80 3kaw n ARG 104 Ca 0.13 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 3kaw n ARG 104 Cb 0.71 -0.31 -0.03 0.00 -1.02 0.00 0.00 32.46 31.80 3kaw n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kaw s ASP 106 N -2.15 6.45 0.35 0.00 2.15 -1.10 -4.62 116.67 117.74 3kaw s ASP 106 Ca 0.11 2.80 -0.08 0.00 0.43 0.00 0.00 52.55 55.81 3kaw s ASP 106 Cb 0.13 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3kaw s ASP 106 CO 0.51 -0.91 0.59 -0.83 -0.17 0.00 0.00 175.17 174.35 3kaw s GLY 107 N 1.04 1.01 0.39 2.66 0.00 -1.25 -4.93 107.32 106.24 3kaw s GLY 107 Ca 0.71 -1.19 0.21 0.00 0.00 0.00 0.00 44.72 44.46 3kaw s GLY 107 CO 0.34 -0.72 1.64 1.29 0.00 0.00 0.00 173.10 175.65 3kaw h ASP 108 N 2.08 0.00 -4.04 1.64 3.04 -1.94 -3.18 116.42 114.02 3kaw h ASP 108 Ca -0.29 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.04 3kaw h ASP 108 Cb 1.24 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.54 3kaw h ASP 108 CO 0.39 0.24 0.37 -1.61 -2.04 0.00 0.00 179.24 176.59 3kaw s GLU 109 N -3.27 4.04 0.17 4.15 2.02 -1.26 -4.85 118.70 119.70 3kaw s GLU 109 Ca 0.04 1.30 -0.23 0.00 0.02 0.00 0.00 54.97 56.09 3kaw s GLU 109 Cb 0.08 -2.22 0.07 0.00 0.10 0.00 0.00 34.13 32.16 3kaw s GLU 109 CO 0.68 -0.22 1.59 -1.00 0.02 0.00 0.00 175.26 176.33 3kaw h PRO 110 N 1.88 -0.23 -0.33 0.39 0.13 -1.99 -0.19 132.00 131.66 3kaw h PRO 110 Ca -0.49 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3kaw h PRO 110 Cb 1.20 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3kaw h PRO 110 CO 0.60 -0.15 0.22 -0.07 -0.23 0.00 0.00 178.00 178.37 3kaw h LEU 111 N -0.24 0.33 -0.03 1.56 4.07 -1.95 0.16 115.31 119.22 3kaw h LEU 111 Ca 0.19 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 3kaw h LEU 111 Cb 0.55 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.22 3kaw h LEU 111 CO -0.60 0.23 -0.30 -0.33 -1.08 0.00 0.00 178.44 176.36 3kaw h GLU 112 N 0.39 0.25 -0.40 1.13 5.08 -1.54 -2.66 114.58 116.83 3kaw h GLU 112 Ca 0.13 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3kaw h GLU 112 Cb 0.04 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3kaw h GLU 112 CO -0.03 0.92 0.09 -0.09 -1.00 0.00 0.00 179.01 178.90 3kaw h ARG 113 N -0.33 0.64 -0.07 2.33 2.43 -0.79 -2.73 114.38 115.86 3kaw h ARG 113 Ca -0.03 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3kaw h ARG 113 Cb 1.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3kaw h ARG 113 CO 0.06 0.67 0.01 0.93 -1.51 0.00 0.00 179.97 180.13 3kaw h GLU 114 N 0.50 0.09 0.27 0.20 5.08 -0.76 0.54 114.58 120.51 3kaw h GLU 114 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kaw h GLU 114 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kaw h GLU 114 CO 0.00 0.09 -0.13 0.00 -1.00 0.00 0.00 179.01 177.97 3kaw h ALA 116 N -0.22 1.11 0.13 0.00 0.00 -1.22 -0.94 119.26 118.12 3kaw h ALA 116 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 116 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kaw h ALA 116 CO 0.06 0.34 -0.06 0.78 0.00 0.00 0.00 179.25 180.37 3kaw h GLY 117 N 1.02 -0.18 0.90 0.00 0.00 -0.89 -1.01 103.07 102.91 3kaw h GLY 117 Ca 0.34 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.76 3kaw h GLY 117 CO -0.13 -0.06 0.53 0.00 0.00 0.00 0.00 176.54 176.88 3kaw h ALA 118 N 0.58 1.08 0.38 3.60 0.00 -1.05 0.16 119.26 124.01 3kaw h ALA 118 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 118 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kaw h ALA 118 CO 0.03 0.37 -0.23 0.00 0.00 0.00 0.00 179.25 179.43 3kaw h ARG 120 N -0.58 0.95 -0.08 0.00 3.08 -0.97 -1.02 114.38 115.77 3kaw h ARG 120 Ca -0.04 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3kaw h ARG 120 Cb 0.47 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kaw h ARG 120 CO 0.05 0.70 0.03 0.00 -1.07 0.00 0.00 179.97 179.68 3kaw h ARG 121 N 0.94 0.10 -0.25 0.04 3.08 -0.41 -1.80 114.38 116.09 3kaw h ARG 121 Ca 0.24 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 3kaw h ARG 121 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kaw h ARG 121 CO -0.04 0.09 -0.54 0.35 -1.07 0.00 0.00 179.97 178.76 3kaw h PHE 122 N 0.10 1.02 -0.12 3.04 3.57 0.36 -3.07 116.94 121.85 3kaw h PHE 122 Ca 0.03 -0.38 0.02 0.00 3.53 0.00 0.00 57.97 61.17 3kaw h PHE 122 Cb 0.02 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3kaw h PHE 122 CO 0.00 1.19 0.00 0.28 -2.23 0.00 0.00 178.31 177.55 3kaw h VAL 123 N 0.56 0.92 -0.57 1.41 2.07 -0.45 -2.73 116.25 117.47 3kaw h VAL 123 Ca 0.00 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3kaw h VAL 123 Cb 1.15 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3kaw h VAL 123 CO 0.12 0.01 0.14 -0.33 0.02 0.00 0.00 177.57 177.53 3kaw h GLU 124 N 0.04 0.27 0.00 1.57 4.39 -1.45 0.16 114.58 119.57 3kaw h GLU 124 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kaw h GLU 124 Cb 0.06 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kaw h GLU 124 CO -0.09 0.18 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 3kaw h ALA 125 N 1.44 1.00 0.00 3.43 0.00 -1.39 -2.33 119.26 121.41 3kaw h ALA 125 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 3kaw h ALA 125 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kaw h ALA 125 CO -0.36 0.00 -1.26 0.00 0.00 0.00 0.00 179.25 177.63 3kaw h ARG 127 N 0.00 0.03 0.00 0.00 3.08 -1.02 0.59 114.38 117.06 3kaw h ARG 127 Ca -0.13 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3kaw h ARG 127 Cb 1.81 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.86 3kaw h ARG 127 CO 0.10 0.02 0.00 -0.35 -1.07 0.00 0.00 179.97 178.67 3kaw n PRO 128 N -5.37 0.46 0.00 0.04 -0.04 -1.26 -1.94 135.00 126.89 3kaw n PRO 128 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3kaw n PRO 128 Cb 0.33 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3kaw n PRO 128 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kaw n LEU 129 N -0.74 1.47 -0.84 1.53 4.77 0.20 -5.01 117.00 118.38 3kaw n LEU 129 Ca 0.05 -1.47 0.11 0.00 -0.03 0.00 0.00 56.01 54.66 3kaw n LEU 129 Cb 0.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3kaw n LEU 129 CO 0.04 0.37 0.58 0.18 -1.33 0.00 0.00 177.39 177.23