#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kaw s ALA 32 N 0.00 3.18 0.36 1.69 0.00 -1.26 -4.81 121.76 120.93 3kaw s ALA 32 Ca 0.00 0.95 0.15 0.00 0.00 0.00 0.00 51.96 53.05 3kaw s ALA 32 Cb 0.00 -3.37 1.01 0.00 0.00 0.00 0.00 23.12 20.76 3kaw s ALA 32 CO 0.00 -0.47 1.75 -1.00 0.00 0.00 0.00 175.76 176.04 3kaw h PRO 33 N 2.75 0.46 -0.40 0.00 0.13 -1.99 0.27 132.00 133.23 3kaw h PRO 33 Ca -0.48 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3kaw h PRO 33 Cb 1.23 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3kaw h PRO 33 CO 0.63 0.31 0.00 0.93 -0.23 0.00 0.00 178.00 179.64 3kaw h GLU 34 N 0.48 0.64 -0.22 0.86 3.07 -1.93 -1.79 114.58 115.69 3kaw h GLU 34 Ca 0.62 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 59.14 3kaw h GLU 34 Cb 1.39 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3kaw h GLU 34 CO -0.38 0.65 -0.62 1.49 -1.40 0.00 0.00 179.01 178.76 3kaw h GLU 35 N 0.60 0.80 -0.57 2.33 4.57 -0.87 -2.21 114.58 119.24 3kaw h GLU 35 Ca 0.13 -0.57 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 3kaw h GLU 35 Cb 0.38 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3kaw h GLU 35 CO 0.01 1.20 0.10 0.00 -1.18 0.00 0.00 179.01 179.14 3kaw h ARG 36 N 0.55 0.93 -0.63 1.92 3.08 -1.06 0.25 114.38 119.41 3kaw h ARG 36 Ca -0.02 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3kaw h ARG 36 Cb 1.24 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 3kaw h ARG 36 CO 0.13 0.89 0.26 0.00 -1.07 0.00 0.00 179.97 180.18 3kaw h ARG 38 N 0.89 0.91 -0.59 0.00 2.43 -1.17 0.12 114.38 116.97 3kaw h ARG 38 Ca 0.21 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3kaw h ARG 38 Cb 0.19 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3kaw h ARG 38 CO -0.02 0.97 0.38 1.25 -1.51 0.00 0.00 179.97 181.04 3kaw h LEU 39 N 0.76 0.65 -0.82 3.80 5.85 -0.46 -0.20 115.31 124.90 3kaw h LEU 39 Ca 0.13 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3kaw h LEU 39 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3kaw h LEU 39 CO 0.04 0.46 -0.24 0.00 -0.34 0.00 0.00 178.44 178.36 3kaw h ALA 40 N 1.23 0.99 -0.61 1.25 0.00 -0.49 -1.93 119.26 119.71 3kaw h ALA 40 Ca 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kaw h ALA 40 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3kaw h ALA 40 CO -0.07 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.09 3kaw h ALA 41 N 1.20 0.79 -0.67 0.00 0.00 0.07 0.30 119.26 120.94 3kaw h ALA 41 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kaw h ALA 41 Cb 0.70 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kaw h ALA 41 CO 0.05 0.33 0.14 1.96 0.00 0.00 0.00 179.25 181.73 3kaw h GLN 42 N 0.83 1.08 -0.45 0.00 4.20 -0.80 -1.00 115.11 118.98 3kaw h GLN 42 Ca 0.21 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3kaw h GLN 42 Cb 0.08 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3kaw h GLN 42 CO -0.03 0.97 -0.04 0.00 -0.67 0.00 0.00 178.83 179.06 3kaw h ALA 43 N 1.12 1.10 -0.43 3.87 0.00 -0.92 -1.65 119.26 122.35 3kaw h ALA 43 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3kaw h ALA 43 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kaw h ALA 43 CO 0.01 0.57 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 3kaw h ILE 45 N 0.68 1.22 -0.22 0.00 2.04 -0.92 -0.14 117.51 120.17 3kaw h ILE 45 Ca 0.11 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3kaw h ILE 45 Cb 0.67 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3kaw h ILE 45 CO 0.05 0.24 0.03 0.03 0.00 0.00 0.00 178.15 178.50 3kaw h ARG 46 N 0.97 0.36 -0.06 2.37 3.08 -1.20 -1.92 114.38 117.97 3kaw h ARG 46 Ca 0.25 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 3kaw h ARG 46 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kaw h ARG 46 CO -0.04 0.52 -0.46 0.00 -1.07 0.00 0.00 179.97 178.93 3kaw h ALA 47 N 0.83 1.12 -0.33 0.04 0.00 -1.22 -1.89 119.26 117.80 3kaw h ALA 47 Ca 0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3kaw h ALA 47 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kaw h ALA 47 CO 0.01 0.61 -0.36 0.00 0.00 0.00 0.00 179.25 179.51 3kaw h GLU 49 N 0.60 -0.14 -0.92 0.00 5.08 -1.25 -1.24 114.58 116.71 3kaw h GLU 49 Ca 0.05 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 3kaw h GLU 49 Cb 0.94 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 3kaw h GLU 49 CO 0.09 0.24 0.59 -0.09 -1.00 0.00 0.00 179.01 178.84 3kaw h ARG 50 N -0.56 0.79 0.26 2.33 2.43 -1.41 0.22 114.38 118.42 3kaw h ARG 50 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kaw h ARG 50 Cb 0.45 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3kaw h ARG 50 CO 0.03 0.52 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.96 3kaw h TYR 51 N 0.81 -0.32 0.00 2.20 3.20 -1.03 0.80 116.97 122.63 3kaw h TYR 51 Ca 0.45 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.32 3kaw h TYR 51 Cb 0.59 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3kaw h TYR 51 CO -0.00 -0.20 0.00 1.47 -1.64 0.00 0.00 178.16 177.79 3kaw n LEU 52 N -3.13 0.52 0.04 2.82 -0.00 -0.49 -0.75 117.00 116.02 3kaw n LEU 52 Ca -0.04 0.71 0.07 0.00 -0.00 0.00 0.00 56.01 56.75 3kaw n LEU 52 Cb 0.14 -0.74 -0.08 0.00 -0.00 0.00 0.00 43.42 42.73 3kaw n LEU 52 CO 0.10 -0.82 -0.39 0.00 -0.00 0.00 0.00 177.39 176.29 3kaw n ALA 53 N -1.75 2.41 -0.02 1.47 0.00 0.75 -4.69 120.51 118.68 3kaw n ALA 53 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 3kaw n ALA 53 Cb 0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.59 2.50 -4.70 0.00 4.32 0.26 -5.03 117.00 111.76 3kaw n LEU 54 Ca -0.06 -0.02 -0.44 0.00 -0.02 0.00 0.00 56.01 55.47 3kaw n LEU 54 Cb 0.67 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.32 3kaw n LEU 54 CO 0.43 0.50 1.18 0.00 -1.22 0.00 0.00 177.39 178.27 3kaw n THR 56 N 2.60 0.00 -0.74 0.00 -1.04 -1.26 -4.36 114.28 109.48 3kaw n THR 56 Ca 0.12 -0.10 0.08 0.00 -2.04 0.00 0.00 64.05 62.11 3kaw n THR 56 Cb 0.33 0.96 0.34 0.00 -1.82 0.00 0.00 70.33 70.14 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 -1.44 3.88 -2.86 -2.82 4.71 -1.26 -4.98 120.64 115.86 3kaw n GLU 57 Ca 0.03 -2.91 -0.40 0.00 -0.01 0.00 0.00 57.16 53.88 3kaw n GLU 57 Cb 0.28 -1.95 -0.06 0.00 -1.01 0.00 0.00 31.44 28.71 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 -1.06 7.48 0.78 1.62 1.04 -1.26 -5.07 113.70 117.22 3kaw s SER 58 Ca 0.49 1.75 -0.04 0.00 0.48 0.00 0.00 55.95 58.62 3kaw s SER 58 Cb 0.34 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 64.06 3kaw s SER 58 CO 0.19 0.13 0.92 -1.54 0.98 0.00 0.00 173.24 173.92 3kaw n SER 59 N 1.88 0.83 -0.06 7.02 3.41 -1.26 -4.92 113.62 120.52 3kaw n SER 59 Ca -0.03 -1.79 -0.14 0.00 -0.26 0.00 0.00 58.87 56.64 3kaw n SER 59 Cb 0.48 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 3kaw n SER 59 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3kaw h ARG 60 N 0.00 0.58 -0.63 4.33 0.11 -1.99 -2.32 114.38 114.46 3kaw h ARG 60 Ca -0.30 -0.37 0.02 0.00 0.10 0.00 0.00 59.98 59.43 3kaw h ARG 60 Cb 1.02 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 32.10 3kaw h ARG 60 CO 0.29 0.99 0.39 1.49 0.10 0.00 0.00 179.97 183.23 3kaw h GLU 61 N 0.24 0.76 -0.50 0.08 4.81 -1.99 -1.19 114.58 116.80 3kaw h GLU 61 Ca 0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3kaw h GLU 61 Cb 0.97 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 3kaw h GLU 61 CO 0.08 0.50 0.06 1.96 -0.73 0.00 0.00 179.01 180.89 3kaw h GLN 62 N 0.78 0.84 -0.21 1.92 4.20 -1.91 -0.90 115.11 119.84 3kaw h GLN 62 Ca 0.25 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3kaw h GLN 62 Cb -0.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3kaw h GLN 62 CO -0.09 0.85 -0.13 0.00 -0.67 0.00 0.00 178.83 178.79 3kaw h ARG 63 N 0.72 0.34 -0.16 1.46 3.08 -1.09 -0.97 114.38 117.75 3kaw h ARG 63 Ca 0.15 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 3kaw h ARG 63 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kaw h ARG 63 CO 0.01 0.48 -0.57 0.37 -1.07 0.00 0.00 179.97 179.19 3kaw h GLN 64 N 0.32 0.50 0.12 0.04 -0.00 -0.93 -0.12 115.11 115.04 3kaw h GLN 64 Ca 0.06 -0.32 -0.01 0.00 -0.00 0.00 0.00 58.65 58.39 3kaw h GLN 64 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.95 3kaw h GLN 64 CO 0.02 0.93 -0.06 0.45 0.00 0.00 0.00 178.83 180.17 3kaw h HIS 65 N 0.38 -0.15 -0.57 3.99 3.86 -0.37 -1.77 115.15 120.52 3kaw h HIS 65 Ca 0.00 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3kaw h HIS 65 Cb 1.10 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 3kaw h HIS 65 CO 0.04 0.19 -0.01 0.00 0.86 0.00 0.00 177.93 179.00 3kaw h ALA 66 N 0.33 0.89 -0.37 2.45 0.00 -1.23 -1.93 119.26 119.39 3kaw h ALA 66 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3kaw h ALA 66 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kaw h ALA 66 CO 0.03 0.65 0.02 0.78 0.00 0.00 0.00 179.25 180.73 3kaw h GLY 67 N 0.99 0.70 1.54 0.00 0.00 -1.01 -1.36 103.07 103.93 3kaw h GLY 67 Ca 0.16 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3kaw h GLY 67 CO 0.03 0.46 -0.47 -0.55 0.00 0.00 0.00 176.54 176.01 3kaw h ASP 68 N 0.47 0.54 -0.67 0.19 3.32 -1.31 -2.74 116.42 116.21 3kaw h ASP 68 Ca 0.11 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3kaw h ASP 68 Cb 0.44 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3kaw h ASP 68 CO 0.02 0.93 0.31 0.00 -1.72 0.00 0.00 179.24 178.78 3kaw h ALA 70 N 1.14 1.09 -0.36 0.00 0.00 -1.09 0.22 119.26 120.27 3kaw h ALA 70 Ca 0.23 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3kaw h ALA 70 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kaw h ALA 70 CO -0.03 0.57 -0.40 -0.44 0.00 0.00 0.00 179.25 178.95 3kaw h ASP 71 N 1.17 0.93 -0.58 0.00 3.32 -1.15 -1.21 116.42 118.92 3kaw h ASP 71 Ca 0.30 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3kaw h ASP 71 Cb -0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3kaw h ASP 71 CO -0.05 1.21 0.24 -0.07 -1.72 0.00 0.00 179.24 178.85 3kaw h LEU 72 N 0.71 0.79 -1.04 1.55 -0.00 -0.55 -0.94 115.31 115.83 3kaw h LEU 72 Ca 0.06 -0.16 -0.08 0.00 -0.00 0.00 0.00 57.88 57.70 3kaw h LEU 72 Cb 0.98 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 3kaw h LEU 72 CO 0.09 0.73 -0.13 0.00 -0.00 0.00 0.00 178.44 179.14 3kaw h ARG 74 N 0.50 0.58 -0.32 0.00 2.43 -0.73 0.50 114.38 117.34 3kaw h ARG 74 Ca 0.09 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3kaw h ARG 74 Cb 0.52 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3kaw h ARG 74 CO 0.03 0.56 0.05 1.25 -1.51 0.00 0.00 179.97 180.35 3kaw h LEU 75 N 0.47 0.50 -0.95 3.80 5.85 -0.62 -2.57 115.31 121.80 3kaw h LEU 75 Ca 0.13 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kaw h LEU 75 Cb 0.20 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3kaw h LEU 75 CO -0.01 0.63 0.60 0.00 -0.34 0.00 0.00 178.44 179.32 3kaw h ALA 76 N 0.89 1.20 -0.39 1.25 0.00 -0.84 -2.21 119.26 119.17 3kaw h ALA 76 Ca 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3kaw h ALA 76 Cb 0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3kaw h ALA 76 CO 0.01 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 3kaw h ALA 77 N 1.33 1.06 -0.09 0.00 0.00 -0.79 -0.95 119.26 119.82 3kaw h ALA 77 Ca 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kaw h ALA 77 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kaw h ALA 77 CO -0.07 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 3kaw h LEU 78 N 0.63 0.15 -1.26 0.00 3.38 -1.06 -0.71 115.31 116.44 3kaw h LEU 78 Ca 0.11 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3kaw h LEU 78 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kaw h LEU 78 CO 0.04 0.41 -0.20 -0.07 0.09 0.00 0.00 178.44 178.70 3kaw h LEU 79 N -0.12 0.25 -0.12 1.67 3.38 -1.33 -2.28 115.31 116.76 3kaw h LEU 79 Ca 0.02 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3kaw h LEU 79 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kaw h LEU 79 CO 0.00 0.47 -0.41 -0.07 0.09 0.00 0.00 178.44 178.52 3kaw h LEU 80 N 0.24 0.57 -0.64 1.67 4.07 -1.07 0.16 115.31 120.32 3kaw h LEU 80 Ca 0.04 -0.61 0.10 0.00 0.08 0.00 0.00 57.88 57.50 3kaw h LEU 80 Cb 0.49 -0.17 -0.08 0.00 1.08 0.00 0.00 40.66 41.99 3kaw h LEU 80 CO 0.03 1.08 0.24 -0.33 -1.08 0.00 0.00 178.44 178.39 3kaw h GLU 81 N 0.10 0.41 -0.16 1.13 5.08 -0.91 0.17 114.58 120.39 3kaw h GLU 81 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kaw h GLU 81 Cb 1.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3kaw h GLU 81 CO 0.09 0.27 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 3kaw n ARG 82 N -4.99 1.46 -3.99 2.33 1.74 -0.88 -4.92 116.66 107.41 3kaw n ARG 82 Ca 0.10 -0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 56.22 3kaw n ARG 82 Cb 0.30 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3kaw n ARG 82 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kaw n ARG 83 N 0.01 -3.21 -2.29 5.56 3.00 0.58 -4.90 116.66 115.40 3kaw n ARG 83 Ca 0.10 0.39 -0.36 0.00 -0.01 0.00 0.00 57.85 57.97 3kaw n ARG 83 Cb 0.19 -4.54 -0.01 0.00 0.00 0.00 0.00 32.46 28.11 3kaw n ARG 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kaw s SER 84 N -4.29 6.03 0.00 0.55 0.15 0.51 -4.91 113.70 111.73 3kaw s SER 84 Ca 0.06 2.21 0.22 0.00 0.70 0.00 0.00 55.95 59.14 3kaw s SER 84 Cb -0.03 -2.59 1.00 0.00 -1.71 0.00 0.00 66.02 62.69 3kaw s SER 84 CO 0.90 -1.01 1.70 -0.81 1.20 0.00 0.00 173.24 175.22 3kaw n PRO 85 N -0.83 0.13 -0.18 5.44 -0.04 -1.26 -2.25 135.00 136.01 3kaw n PRO 85 Ca 0.09 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 3kaw n PRO 85 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.41 0.46 0.21 0.54 8.01 -1.26 -4.63 117.44 119.36 3kaw n TRP 86 Ca 0.07 -0.28 -0.15 0.00 -1.31 0.00 0.00 57.50 55.84 3kaw n TRP 86 Cb 0.22 -0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.44 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 3.80 -0.69 -0.87 6.99 0.00 -1.74 -2.83 119.26 123.92 3kaw h ALA 87 Ca 0.00 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3kaw h ALA 87 Cb 0.88 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 3kaw h ALA 87 CO 0.00 -0.92 0.32 -1.00 0.00 0.00 0.00 179.25 177.65 3kaw h PRO 88 N -0.68 0.31 -0.10 0.00 0.13 -1.82 0.63 132.00 130.47 3kaw h PRO 88 Ca -0.02 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 3kaw h PRO 88 Cb 0.62 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3kaw h PRO 88 CO -0.06 0.21 -0.18 0.00 -0.23 0.00 0.00 178.00 177.74 3kaw h ALA 89 N 1.72 1.52 -0.07 -0.56 0.00 -1.86 0.32 119.26 120.33 3kaw h ALA 89 Ca 0.54 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3kaw h ALA 89 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kaw h ALA 89 CO -0.57 0.35 -0.32 0.00 0.00 0.00 0.00 179.25 178.71 3kaw h ALA 90 N 1.67 0.13 -0.61 0.00 0.00 0.35 -2.90 119.26 117.91 3kaw h ALA 90 Ca 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3kaw h ALA 90 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kaw h ALA 90 CO 0.03 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.60 3kaw h GLU 92 N 0.92 0.65 -0.09 0.00 4.57 -0.39 0.74 114.58 120.98 3kaw h GLU 92 Ca 0.19 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3kaw h GLU 92 Cb 0.35 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3kaw h GLU 92 CO 0.00 0.43 -0.21 1.25 -1.18 0.00 0.00 179.01 179.30 3kaw h LEU 93 N 0.67 0.33 -0.52 1.64 7.12 -1.20 -2.54 115.31 120.82 3kaw h LEU 93 Ca 0.34 -0.58 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 3kaw h LEU 93 Cb 0.30 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 3kaw h LEU 93 CO -0.23 0.86 0.27 0.00 -0.13 0.00 0.00 178.44 179.21 3kaw h ALA 94 N 0.49 0.67 -0.46 1.25 0.00 -0.40 -2.71 119.26 118.10 3kaw h ALA 94 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kaw h ALA 94 Cb 0.81 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kaw h ALA 94 CO 0.05 0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.78 3kaw h ALA 95 N 1.11 0.58 -0.35 0.00 0.00 0.43 0.12 119.26 121.15 3kaw h ALA 95 Ca 0.18 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kaw h ALA 95 Cb 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3kaw h ALA 95 CO -0.03 0.06 0.04 -0.09 0.00 0.00 0.00 179.25 179.23 3kaw h ARG 96 N 0.61 0.14 0.00 0.00 2.43 -1.26 -2.00 114.38 114.31 3kaw h ARG 96 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3kaw h ARG 96 Cb -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3kaw h ARG 96 CO -0.03 0.10 -0.10 1.88 -1.51 0.00 0.00 179.97 180.31 3kaw h TYR 97 N 0.15 0.00 -0.24 2.20 0.05 -1.32 -3.16 116.97 114.65 3kaw h TYR 97 Ca 0.17 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.78 3kaw h TYR 97 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3kaw h TYR 97 CO -0.21 0.00 -0.50 0.00 -1.05 0.00 0.00 178.16 176.40 3kaw h ALA 98 N 2.35 0.39 -0.01 3.88 0.00 -0.04 -0.92 119.26 124.90 3kaw h ALA 98 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 3kaw h ALA 98 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kaw h ALA 98 CO 0.00 0.56 -0.66 1.37 0.00 0.00 0.00 179.25 180.53 3kaw h LEU 99 N 0.50 0.06 -0.63 0.00 8.10 -1.50 -0.02 115.31 121.83 3kaw h LEU 99 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 3kaw h LEU 99 Cb 1.11 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 41.28 3kaw h LEU 99 CO 0.11 0.70 0.38 0.00 -4.11 0.00 0.00 178.44 175.52 3kaw h ALA 100 N 1.30 0.80 -0.39 0.17 0.00 -1.49 0.59 119.26 120.24 3kaw h ALA 100 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kaw h ALA 100 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3kaw h ALA 100 CO 0.09 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.55 3kaw h ALA 102 N 1.31 -0.05 -0.27 0.00 0.00 0.43 0.93 119.26 121.61 3kaw h ALA 102 Ca 0.12 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kaw h ALA 102 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kaw h ALA 102 CO 0.03 -0.49 0.07 0.93 0.00 0.00 0.00 179.25 179.79 3kaw h GLU 103 N -0.14 0.17 0.00 0.00 5.08 -0.82 -1.95 114.58 116.93 3kaw h GLU 103 Ca -0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3kaw h GLU 103 Cb 0.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kaw h GLU 103 CO 0.01 0.12 -0.43 0.00 -1.00 0.00 0.00 179.01 177.71 3kaw h ARG 104 N 0.18 0.00 -0.57 2.33 -0.00 -1.31 -3.27 114.38 111.74 3kaw h ARG 104 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 3kaw h ARG 104 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.08 3kaw h ARG 104 CO -0.15 0.43 0.00 0.00 0.00 0.00 0.00 179.97 180.25 3kaw s ASP 106 N -1.02 6.80 0.02 0.00 -1.08 -0.75 -4.49 116.67 116.15 3kaw s ASP 106 Ca 0.39 1.94 -0.19 0.00 -0.52 0.00 0.00 52.55 54.18 3kaw s ASP 106 Cb 0.21 -2.57 0.06 0.00 -1.46 0.00 0.00 42.92 39.16 3kaw s ASP 106 CO 0.25 -0.46 0.85 0.61 0.52 0.00 0.00 175.17 176.94 3kaw n GLY 107 N 0.12 0.45 0.12 2.66 0.00 -1.26 -4.96 105.19 102.32 3kaw n GLY 107 Ca 0.06 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 3kaw n GLY 107 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kaw h ASP 108 N 1.38 0.55 -3.92 1.61 3.32 -1.95 -3.35 116.42 114.06 3kaw h ASP 108 Ca -0.16 -0.60 -0.55 0.00 0.02 0.00 0.00 57.03 55.75 3kaw h ASP 108 Cb 0.82 -0.18 0.12 0.00 0.22 0.00 0.00 39.33 40.31 3kaw h ASP 108 CO 0.22 1.47 0.71 -0.62 -1.72 0.00 0.00 179.24 179.30 3kaw n GLU 109 N -3.59 2.35 -0.05 3.56 1.02 -1.26 -4.81 120.64 117.86 3kaw n GLU 109 Ca -0.11 0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 57.78 3kaw n GLU 109 Cb 1.05 -2.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 3kaw n GLU 109 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3kaw h PRO 110 N 2.46 -0.27 -0.86 3.49 0.13 -1.99 -0.89 132.00 134.06 3kaw h PRO 110 Ca -0.51 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 3kaw h PRO 110 Cb 1.26 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 3kaw h PRO 110 CO 0.62 -0.18 0.56 -0.07 -0.23 0.00 0.00 178.00 178.70 3kaw h LEU 111 N -0.28 0.83 -0.73 1.56 3.38 -1.97 0.34 115.31 118.44 3kaw h LEU 111 Ca 0.14 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3kaw h LEU 111 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kaw h LEU 111 CO -0.41 0.52 -0.02 -0.33 0.09 0.00 0.00 178.44 178.30 3kaw h GLU 112 N 0.94 0.95 -0.02 1.13 5.08 -1.59 -1.32 114.58 119.75 3kaw h GLU 112 Ca 0.38 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3kaw h GLU 112 Cb 0.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kaw h GLU 112 CO -0.14 0.95 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.65 3kaw h ARG 113 N 0.87 0.09 -0.71 2.33 9.65 -0.11 -2.82 114.38 123.68 3kaw h ARG 113 Ca 0.16 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3kaw h ARG 113 Cb 0.54 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 3kaw h ARG 113 CO 0.03 0.72 0.47 0.93 2.80 0.00 0.00 179.97 184.92 3kaw h GLU 114 N -0.52 0.71 0.29 0.20 5.08 -0.32 0.12 114.58 120.13 3kaw h GLU 114 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kaw h GLU 114 Cb 0.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3kaw h GLU 114 CO 0.02 0.47 -0.14 0.00 -1.00 0.00 0.00 179.01 178.36 3kaw h ALA 116 N -0.12 1.40 0.15 0.00 0.00 -1.22 -2.18 119.26 117.29 3kaw h ALA 116 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kaw h ALA 116 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kaw h ALA 116 CO 0.06 0.44 -0.07 0.78 0.00 0.00 0.00 179.25 180.46 3kaw h GLY 117 N 0.84 -0.21 1.05 0.00 0.00 -0.75 -2.11 103.07 101.89 3kaw h GLY 117 Ca 0.15 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.62 3kaw h GLY 117 CO -0.01 -0.07 0.48 0.00 0.00 0.00 0.00 176.54 176.93 3kaw h ALA 118 N 0.33 1.69 -0.22 3.60 0.00 -1.22 0.16 119.26 123.61 3kaw h ALA 118 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kaw h ALA 118 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kaw h ALA 118 CO 0.03 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3kaw h ARG 120 N 0.15 0.76 -0.31 0.00 3.08 -0.62 -0.90 114.38 116.53 3kaw h ARG 120 Ca 0.06 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3kaw h ARG 120 Cb 0.40 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3kaw h ARG 120 CO 0.01 0.64 0.07 -0.09 -1.07 0.00 0.00 179.97 179.54 3kaw h ARG 121 N 0.70 0.19 -0.65 0.04 2.43 -0.58 0.03 114.38 116.53 3kaw h ARG 121 Ca 0.18 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3kaw h ARG 121 Cb 0.15 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3kaw h ARG 121 CO -0.02 0.12 0.39 0.35 -1.51 0.00 0.00 179.97 179.31 3kaw h PHE 122 N 0.19 0.73 -0.81 2.20 3.57 -0.75 -1.39 116.94 120.69 3kaw h PHE 122 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3kaw h PHE 122 Cb 0.14 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 3kaw h PHE 122 CO -0.16 0.40 0.43 0.28 -2.23 0.00 0.00 178.31 177.02 3kaw h VAL 123 N 0.75 1.24 -0.97 1.41 2.07 -0.68 -2.05 116.25 118.02 3kaw h VAL 123 Ca 0.27 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3kaw h VAL 123 Cb 0.07 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3kaw h VAL 123 CO -0.13 0.28 0.64 -0.08 0.02 0.00 0.00 177.57 178.30 3kaw h GLU 124 N 1.13 1.28 0.00 1.57 4.57 -0.21 -1.72 114.58 121.20 3kaw h GLU 124 Ca 0.28 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3kaw h GLU 124 Cb 0.06 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.36 3kaw h GLU 124 CO -0.04 0.85 -0.03 0.00 -1.18 0.00 0.00 179.01 178.61 3kaw n ALA 125 N -2.37 2.39 0.09 2.92 0.00 -0.60 -3.68 120.51 119.27 3kaw n ALA 125 Ca 0.11 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3kaw n ALA 125 Cb 0.01 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.87 3kaw n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kaw h ARG 127 N 0.09 0.48 0.00 0.00 3.08 -1.58 0.12 114.38 116.58 3kaw h ARG 127 Ca -0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3kaw h ARG 127 Cb 2.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.99 3kaw h ARG 127 CO 0.20 0.32 0.00 -0.35 -1.07 0.00 0.00 179.97 179.07 3kaw n PRO 128 N -4.96 0.09 -0.01 0.04 -0.04 -1.26 -2.38 135.00 126.48 3kaw n PRO 128 Ca 0.23 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 3kaw n PRO 128 Cb 0.64 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.87 0.07 0.00 1.53 4.77 0.35 -5.10 117.00 116.76 3kaw n LEU 129 Ca 0.02 -0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3kaw n LEU 129 Cb 0.17 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.66 3kaw n LEU 129 CO 0.14 0.02 0.62 0.18 -1.33 0.00 0.00 177.39 177.02