#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 2.12 0.22 1.69 0.00 -1.26 -4.77 121.76 119.76 3kaw s ALA 32 Ca 0.00 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 3kaw s ALA 32 Cb 0.00 -3.50 0.25 0.00 0.00 0.00 0.00 23.12 19.87 3kaw s ALA 32 CO 0.00 -1.89 1.83 -1.00 0.00 0.00 0.00 175.76 174.70 3kaw h PRO 33 N -0.20 0.80 0.00 0.00 0.13 -1.98 -0.83 132.00 129.92 3kaw h PRO 33 Ca -0.48 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3kaw h PRO 33 Cb 1.31 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kaw h PRO 33 CO 0.50 0.53 -0.07 0.93 -0.23 0.00 0.00 178.00 179.66 3kaw h GLU 34 N 0.82 0.00 0.01 0.86 3.07 -1.92 -1.24 114.58 116.19 3kaw h GLU 34 Ca 0.31 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3kaw h GLU 34 Cb 0.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3kaw h GLU 34 CO -0.15 0.07 -0.37 1.49 -1.40 0.00 0.00 179.01 178.64 3kaw h GLU 35 N 0.00 0.24 -0.43 2.33 4.57 -1.52 -2.08 114.58 117.69 3kaw h GLU 35 Ca -0.00 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.83 3kaw h GLU 35 Cb 0.17 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3kaw h GLU 35 CO 0.01 1.00 -0.08 0.07 -1.18 0.00 0.00 179.01 178.82 3kaw h ARG 36 N -0.41 0.75 -0.73 1.92 0.11 -1.18 0.17 114.38 115.00 3kaw h ARG 36 Ca -0.05 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 59.74 3kaw h ARG 36 Cb 1.14 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.11 3kaw h ARG 36 CO 0.07 0.82 0.24 0.00 0.10 0.00 0.00 179.97 181.20 3kaw h ARG 38 N 1.08 0.88 -0.50 0.00 2.43 -0.88 0.15 114.38 117.55 3kaw h ARG 38 Ca 0.24 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kaw h ARG 38 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3kaw h ARG 38 CO -0.01 0.90 0.26 -0.07 -1.51 0.00 0.00 179.97 179.54 3kaw h LEU 39 N 0.74 0.63 -0.53 3.80 4.07 -0.03 -0.54 115.31 123.46 3kaw h LEU 39 Ca 0.14 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.00 3kaw h LEU 39 Cb 0.50 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3kaw h LEU 39 CO 0.02 0.56 0.35 0.00 -1.08 0.00 0.00 178.44 178.29 3kaw h ALA 40 N 1.10 0.67 -0.48 1.53 0.00 0.24 -1.27 119.26 121.06 3kaw h ALA 40 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kaw h ALA 40 Cb 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3kaw h ALA 40 CO -0.03 0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.52 3kaw h ALA 41 N 1.19 0.59 -0.43 0.00 0.00 -0.19 0.70 119.26 121.12 3kaw h ALA 41 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kaw h ALA 41 Cb -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kaw h ALA 41 CO -0.04 -0.19 0.29 1.96 0.00 0.00 0.00 179.25 181.27 3kaw h GLN 42 N 0.38 0.57 -0.37 0.00 4.20 -0.49 -0.15 115.11 119.25 3kaw h GLN 42 Ca 0.22 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 3kaw h GLN 42 Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3kaw h GLN 42 CO -0.20 0.38 -0.12 0.00 -0.67 0.00 0.00 178.83 178.22 3kaw h ALA 43 N 1.16 1.10 -0.18 3.87 0.00 -0.81 -1.71 119.26 122.68 3kaw h ALA 43 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kaw h ALA 43 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kaw h ALA 43 CO -0.03 0.56 0.08 0.00 0.00 0.00 0.00 179.25 179.86 3kaw h ILE 45 N 0.16 0.85 -0.30 0.00 2.04 -0.78 0.38 117.51 119.86 3kaw h ILE 45 Ca 0.06 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 3kaw h ILE 45 Cb 0.14 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3kaw h ILE 45 CO -0.01 0.10 -0.33 0.08 0.00 0.00 0.00 178.15 178.00 3kaw h ARG 46 N 0.57 0.66 -0.46 2.37 0.11 -0.98 0.11 114.38 116.76 3kaw h ARG 46 Ca 0.33 -0.30 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 3kaw h ARG 46 Cb 0.34 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 3kaw h ARG 46 CO -0.26 0.90 -0.23 0.00 0.10 0.00 0.00 179.97 180.47 3kaw h ALA 47 N 1.08 0.65 -0.05 0.08 0.00 -0.25 -0.91 119.26 119.87 3kaw h ALA 47 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kaw h ALA 47 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kaw h ALA 47 CO 0.07 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.97 3kaw h GLU 49 N -0.22 1.14 -0.42 0.00 5.08 -0.93 0.23 114.58 119.45 3kaw h GLU 49 Ca 0.01 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3kaw h GLU 49 Cb 0.34 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kaw h GLU 49 CO 0.00 0.75 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.46 3kaw h ARG 50 N 1.17 0.85 0.81 2.33 2.43 -1.10 -3.07 114.38 117.80 3kaw h ARG 50 Ca 0.36 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3kaw h ARG 50 Cb -0.00 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kaw h ARG 50 CO -0.11 0.98 -0.39 -0.92 -1.51 0.00 0.00 179.97 178.02 3kaw h TYR 51 N 0.74 -1.01 0.00 2.20 3.20 0.02 -1.43 116.97 120.69 3kaw h TYR 51 Ca 0.10 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3kaw h TYR 51 Cb 0.74 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3kaw h TYR 51 CO 0.04 -0.63 0.00 1.47 -1.64 0.00 0.00 178.16 177.40 3kaw n LEU 52 N -5.42 3.94 0.00 2.82 -0.00 -0.05 -1.88 117.00 116.41 3kaw n LEU 52 Ca -0.14 -1.83 0.00 0.00 -0.00 0.00 0.00 56.01 54.04 3kaw n LEU 52 Cb 0.43 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 3kaw n LEU 52 CO 0.33 0.72 0.00 0.00 -0.00 0.00 0.00 177.39 178.44 3kaw n ALA 53 N 1.13 0.56 0.00 1.47 0.00 -1.11 -4.95 120.51 117.61 3kaw n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kaw n ALA 53 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.31 2.53 -4.62 0.00 4.32 -0.55 -5.01 117.00 113.36 3kaw n LEU 54 Ca 0.00 0.00 -0.48 0.00 -0.02 0.00 0.00 56.01 55.51 3kaw n LEU 54 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3kaw n LEU 54 CO 0.00 0.42 1.61 0.00 -1.22 0.00 0.00 177.39 178.20 3kaw h THR 56 N 6.05 1.34 -1.69 0.00 2.02 -1.95 -3.34 112.91 115.34 3kaw h THR 56 Ca -0.43 -2.91 -0.73 0.00 0.77 0.00 0.00 66.41 63.11 3kaw h THR 56 Cb 1.28 2.66 -0.29 0.00 -1.74 0.00 0.00 68.15 70.06 3kaw h THR 56 CO 0.97 0.76 0.89 -0.62 0.37 0.00 0.00 175.52 177.88 3kaw n GLU 57 N -3.29 2.79 -3.86 6.66 -0.58 -1.26 -4.98 120.64 116.12 3kaw n GLU 57 Ca 0.00 -3.53 -0.32 0.00 -0.42 0.00 0.00 57.16 52.90 3kaw n GLU 57 Cb 0.86 -2.27 -0.04 0.00 -0.57 0.00 0.00 31.44 29.41 3kaw n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3kaw s SER 58 N -1.46 6.40 0.57 1.62 1.04 -1.26 -5.11 113.70 115.51 3kaw s SER 58 Ca 0.55 0.37 0.06 0.00 0.48 0.00 0.00 55.95 57.41 3kaw s SER 58 Cb 0.46 -2.00 0.07 0.00 0.10 0.00 0.00 66.02 64.64 3kaw s SER 58 CO -0.29 0.17 0.79 -0.94 0.98 0.00 0.00 173.24 173.95 3kaw s SER 59 N -2.31 5.07 0.16 7.02 1.04 -1.26 -4.95 113.70 118.47 3kaw s SER 59 Ca 0.34 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 56.08 3kaw s SER 59 Cb -0.13 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.93 3kaw s SER 59 CO 0.25 -1.31 1.70 -0.09 0.98 0.00 0.00 173.24 174.77 3kaw h ARG 60 N 0.11 0.80 -0.22 4.02 2.43 -1.99 -1.68 114.38 117.84 3kaw h ARG 60 Ca -0.35 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3kaw h ARG 60 Cb 1.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3kaw h ARG 60 CO 0.43 0.71 0.08 0.93 -1.51 0.00 0.00 179.97 180.61 3kaw h GLU 61 N 0.71 0.33 -0.64 0.20 5.08 -1.99 -1.54 114.58 116.74 3kaw h GLU 61 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3kaw h GLU 61 Cb 0.22 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3kaw h GLU 61 CO -0.01 0.40 0.27 1.96 -1.00 0.00 0.00 179.01 180.63 3kaw h GLN 62 N 0.20 0.93 -0.08 2.33 4.20 -1.89 0.48 115.11 121.27 3kaw h GLN 62 Ca 0.07 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3kaw h GLN 62 Cb 0.20 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kaw h GLN 62 CO -0.00 0.75 -0.31 0.00 -0.67 0.00 0.00 178.83 178.59 3kaw h ARG 63 N 0.92 0.15 -0.16 1.46 3.08 -1.10 0.63 114.38 119.36 3kaw h ARG 63 Ca 0.22 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 3kaw h ARG 63 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kaw h ARG 63 CO -0.02 0.45 -0.67 0.37 -1.07 0.00 0.00 179.97 179.02 3kaw h GLN 64 N 0.13 0.63 0.14 0.04 -0.00 -0.20 -0.68 115.11 115.17 3kaw h GLN 64 Ca 0.02 -0.46 -0.01 0.00 -0.00 0.00 0.00 58.65 58.20 3kaw h GLN 64 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.18 3kaw h GLN 64 CO 0.04 1.08 -0.07 0.45 0.00 0.00 0.00 178.83 180.34 3kaw h HIS 65 N 0.45 -0.17 -0.64 3.99 3.86 -0.50 0.14 115.15 122.28 3kaw h HIS 65 Ca -0.02 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3kaw h HIS 65 Cb 1.26 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.76 3kaw h HIS 65 CO 0.06 0.17 0.26 0.00 0.86 0.00 0.00 177.93 179.28 3kaw h ALA 66 N 0.24 1.25 -0.19 2.45 0.00 -0.92 0.29 119.26 122.37 3kaw h ALA 66 Ca -0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3kaw h ALA 66 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kaw h ALA 66 CO 0.03 0.56 -0.44 0.78 0.00 0.00 0.00 179.25 180.17 3kaw h GLY 67 N 1.02 0.70 2.00 0.00 0.00 -1.10 -1.11 103.07 104.58 3kaw h GLY 67 Ca 0.22 -0.85 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3kaw h GLY 67 CO -0.02 0.76 -0.50 -0.55 0.00 0.00 0.00 176.54 176.23 3kaw h ASP 68 N 0.31 0.00 -0.13 0.19 3.32 -0.80 -2.82 116.42 116.49 3kaw h ASP 68 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3kaw h ASP 68 Cb 1.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 3kaw h ASP 68 CO 0.10 0.50 -0.07 0.00 -1.72 0.00 0.00 179.24 178.05 3kaw h ALA 70 N 0.66 1.10 -0.33 0.00 0.00 -1.03 0.46 119.26 120.11 3kaw h ALA 70 Ca 0.03 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kaw h ALA 70 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kaw h ALA 70 CO 0.02 0.05 -0.36 -0.44 0.00 0.00 0.00 179.25 178.52 3kaw h ASP 71 N 0.73 0.81 -0.65 0.00 3.32 -1.46 -2.19 116.42 116.97 3kaw h ASP 71 Ca 0.38 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3kaw h ASP 71 Cb 0.36 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3kaw h ASP 71 CO -0.25 1.09 0.28 -0.07 -1.72 0.00 0.00 179.24 178.57 3kaw h LEU 72 N 0.64 0.87 -0.99 1.55 4.07 -0.33 -1.07 115.31 120.04 3kaw h LEU 72 Ca 0.06 -0.15 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 3kaw h LEU 72 Cb 0.91 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 3kaw h LEU 72 CO 0.08 0.78 -0.30 0.00 -1.08 0.00 0.00 178.44 177.92 3kaw h ARG 74 N 0.32 0.07 -0.38 0.00 2.43 -1.11 0.35 114.38 116.06 3kaw h ARG 74 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kaw h ARG 74 Cb 0.69 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3kaw h ARG 74 CO 0.05 0.30 0.24 1.25 -1.51 0.00 0.00 179.97 180.30 3kaw h LEU 75 N -0.17 0.45 0.21 3.80 5.85 -0.92 -1.11 115.31 123.41 3kaw h LEU 75 Ca 0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kaw h LEU 75 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3kaw h LEU 75 CO 0.00 0.35 -0.24 0.00 -0.34 0.00 0.00 178.44 178.21 3kaw h ALA 76 N 1.12 -0.47 -0.89 1.25 0.00 -1.03 -1.81 119.26 117.43 3kaw h ALA 76 Ca 0.14 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3kaw h ALA 76 Cb -0.03 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3kaw h ALA 76 CO -0.03 -0.80 0.57 0.00 0.00 0.00 0.00 179.25 179.00 3kaw h ALA 77 N 0.21 1.75 -0.10 0.00 0.00 -0.11 -0.04 119.26 120.97 3kaw h ALA 77 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kaw h ALA 77 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kaw h ALA 77 CO -0.08 0.03 0.02 -0.07 0.00 0.00 0.00 179.25 179.16 3kaw h LEU 78 N 0.77 0.17 -1.26 0.00 3.38 -0.56 -0.73 115.31 117.07 3kaw h LEU 78 Ca 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3kaw h LEU 78 Cb 0.59 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kaw h LEU 78 CO -0.20 0.38 -0.11 -0.07 0.09 0.00 0.00 178.44 178.53 3kaw h LEU 79 N -0.05 0.00 0.04 1.67 3.38 -0.85 -2.61 115.31 116.89 3kaw h LEU 79 Ca 0.03 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 3kaw h LEU 79 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kaw h LEU 79 CO 0.00 0.11 -1.18 -0.07 0.09 0.00 0.00 178.44 177.40 3kaw h LEU 80 N 0.00 0.59 -0.67 1.67 3.38 -0.80 -0.34 115.31 119.14 3kaw h LEU 80 Ca -0.00 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 3kaw h LEU 80 Cb 0.64 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3kaw h LEU 80 CO 0.01 1.40 0.26 -0.08 0.09 0.00 0.00 178.44 180.13 3kaw h GLU 81 N 0.17 1.01 -0.12 1.13 4.81 -0.88 -1.80 114.58 118.89 3kaw h GLU 81 Ca -0.14 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3kaw h GLU 81 Cb 1.86 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.08 3kaw h GLU 81 CO 0.21 0.85 0.00 0.54 -0.73 0.00 0.00 179.01 179.88 3kaw n ARG 82 N -4.38 1.33 -4.05 1.92 1.74 -1.01 -4.89 116.66 107.31 3kaw n ARG 82 Ca 0.05 -0.51 -0.28 0.00 -0.77 0.00 0.00 57.85 56.34 3kaw n ARG 82 Cb 0.18 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.15 -3.01 -2.52 5.56 3.00 -0.68 -4.88 116.66 113.98 3kaw n ARG 83 Ca 0.08 0.36 -0.40 0.00 -0.01 0.00 0.00 57.85 57.88 3kaw n ARG 83 Cb 0.14 -4.53 -0.05 0.00 0.00 0.00 0.00 32.46 28.02 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 -4.16 7.34 0.19 0.55 0.15 -0.16 -4.93 113.70 112.68 3kaw s SER 84 Ca 0.15 2.21 0.20 0.00 0.70 0.00 0.00 55.95 59.22 3kaw s SER 84 Cb -0.08 -2.62 0.87 0.00 -1.71 0.00 0.00 66.02 62.48 3kaw s SER 84 CO 0.91 -0.09 1.62 -0.81 1.20 0.00 0.00 173.24 176.07 3kaw n PRO 85 N 1.24 0.14 -0.02 5.44 -0.04 -1.26 -1.66 135.00 138.84 3kaw n PRO 85 Ca -0.01 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 3kaw n PRO 85 Cb 0.45 -1.78 0.30 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.03 0.05 -0.04 0.54 8.01 -1.26 -4.43 117.44 118.28 3kaw n TRP 86 Ca 0.02 -0.03 -0.08 0.00 -1.31 0.00 0.00 57.50 56.10 3kaw n TRP 86 Cb 0.19 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.46 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 4.50 0.16 -0.92 6.99 0.00 -1.58 -2.55 119.26 125.87 3kaw h ALA 87 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3kaw h ALA 87 Cb 0.76 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3kaw h ALA 87 CO 0.00 -0.45 0.56 -1.00 0.00 0.00 0.00 179.25 178.35 3kaw h PRO 88 N 0.04 0.88 -0.27 0.00 0.13 -1.80 0.50 132.00 131.48 3kaw h PRO 88 Ca 0.09 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 3kaw h PRO 88 Cb 0.13 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.05 3kaw h PRO 88 CO -0.18 0.58 -0.01 0.00 -0.23 0.00 0.00 178.00 178.16 3kaw h ALA 89 N 1.49 1.49 -0.01 -0.56 0.00 -1.77 0.23 119.26 120.12 3kaw h ALA 89 Ca 0.45 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 3kaw h ALA 89 Cb 0.41 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kaw h ALA 89 CO -0.25 0.37 -1.01 0.00 0.00 0.00 0.00 179.25 178.36 3kaw h ALA 90 N 1.60 0.18 -0.40 0.00 0.00 -0.57 -2.91 119.26 117.17 3kaw h ALA 90 Ca 0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 3kaw h ALA 90 Cb 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kaw h ALA 90 CO 0.01 0.71 0.01 0.00 0.00 0.00 0.00 179.25 179.98 3kaw h GLU 92 N 0.60 -0.51 -0.25 0.00 4.57 -0.55 0.65 114.58 119.08 3kaw h GLU 92 Ca 0.13 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3kaw h GLU 92 Cb 0.36 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3kaw h GLU 92 CO 0.01 -0.34 0.16 1.25 -1.18 0.00 0.00 179.01 178.91 3kaw h LEU 93 N -0.53 0.27 -0.33 1.64 6.46 -1.28 -1.52 115.31 120.02 3kaw h LEU 93 Ca -0.04 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 3kaw h LEU 93 Cb 0.43 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3kaw h LEU 93 CO 0.05 0.20 0.16 0.00 -0.62 0.00 0.00 178.44 178.23 3kaw h ALA 94 N 1.10 0.42 -0.61 1.25 0.00 -0.87 -2.82 119.26 117.72 3kaw h ALA 94 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kaw h ALA 94 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3kaw h ALA 94 CO -0.03 -0.02 0.37 0.00 0.00 0.00 0.00 179.25 179.56 3kaw h ALA 95 N 1.02 0.80 -0.14 0.00 0.00 0.54 0.13 119.26 121.59 3kaw h ALA 95 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kaw h ALA 95 Cb 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3kaw h ALA 95 CO -0.01 0.09 -0.26 -0.09 0.00 0.00 0.00 179.25 178.97 3kaw h ARG 96 N 0.71 -0.31 0.00 0.00 2.43 -1.09 -2.19 114.38 113.92 3kaw h ARG 96 Ca 0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3kaw h ARG 96 Cb 0.06 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3kaw h ARG 96 CO -0.12 -0.21 -0.17 0.66 -1.51 0.00 0.00 179.97 178.62 3kaw n TYR 97 N -5.38 0.52 -0.09 2.20 4.01 -1.08 -3.47 117.16 113.86 3kaw n TYR 97 Ca -0.03 0.15 -0.11 0.00 -0.16 0.00 0.00 57.90 57.75 3kaw n TYR 97 Cb 0.30 -0.70 -0.04 0.00 -0.31 0.00 0.00 39.34 38.59 3kaw n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kaw h ALA 98 N 2.70 0.38 -0.05 -0.72 0.00 -0.12 -1.33 119.26 120.11 3kaw h ALA 98 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3kaw h ALA 98 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kaw h ALA 98 CO 0.00 0.10 -0.57 1.37 0.00 0.00 0.00 179.25 180.15 3kaw h LEU 99 N 0.28 0.18 -1.09 0.00 8.10 -1.54 -1.21 115.31 120.02 3kaw h LEU 99 Ca 0.08 -0.10 -0.04 0.00 0.11 0.00 0.00 57.88 57.93 3kaw h LEU 99 Cb 0.41 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.55 3kaw h LEU 99 CO 0.01 0.71 0.17 0.00 -4.11 0.00 0.00 178.44 175.22 3kaw h ALA 100 N 1.29 1.27 -0.49 0.17 0.00 -1.56 0.17 119.26 120.11 3kaw h ALA 100 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3kaw h ALA 100 Cb 1.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kaw h ALA 100 CO 0.08 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.71 3kaw h ALA 102 N 0.89 1.22 -0.05 0.00 0.00 -0.12 0.36 119.26 121.56 3kaw h ALA 102 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kaw h ALA 102 Cb 0.71 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kaw h ALA 102 CO 0.05 0.60 -0.05 0.93 0.00 0.00 0.00 179.25 180.79 3kaw h GLU 103 N 1.09 0.12 0.00 0.00 5.08 -0.52 -0.90 114.58 119.44 3kaw h GLU 103 Ca 0.27 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3kaw h GLU 103 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kaw h GLU 103 CO -0.04 0.57 -0.41 0.00 -1.00 0.00 0.00 179.01 178.13 3kaw h ARG 104 N -0.33 0.00 -0.02 2.33 -0.00 -1.21 -3.23 114.38 111.92 3kaw h ARG 104 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 3kaw h ARG 104 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.51 3kaw h ARG 104 CO 0.01 0.41 -0.25 0.00 0.00 0.00 0.00 179.97 180.13 3kaw s ASP 106 N -2.22 6.79 0.14 0.00 -1.08 -0.34 -4.51 116.67 115.44 3kaw s ASP 106 Ca 0.22 2.40 -0.03 0.00 -0.52 0.00 0.00 52.55 54.63 3kaw s ASP 106 Cb 0.19 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 3kaw s ASP 106 CO 0.44 -0.67 0.24 0.61 0.52 0.00 0.00 175.17 176.31 3kaw n GLY 107 N 3.30 2.14 0.14 2.66 0.00 -1.26 -4.95 105.19 107.23 3kaw n GLY 107 Ca 0.11 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 0.73 0.63 -3.97 1.61 5.19 -1.94 -3.32 116.42 115.35 3kaw h ASP 108 Ca -0.11 -0.93 -0.55 0.00 -0.62 0.00 0.00 57.03 54.82 3kaw h ASP 108 Cb 0.45 -0.20 0.13 0.00 0.18 0.00 0.00 39.33 39.89 3kaw h ASP 108 CO 0.15 1.75 0.63 -0.62 -3.12 0.00 0.00 179.24 178.03 3kaw n GLU 109 N -3.67 1.93 -0.16 3.56 1.02 -1.26 -4.75 120.64 117.31 3kaw n GLU 109 Ca -0.23 0.70 -0.08 0.00 -0.02 0.00 0.00 57.16 57.53 3kaw n GLU 109 Cb 1.05 -2.58 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 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 1.82 -0.24 -0.06 3.49 0.13 -1.99 -0.31 132.00 134.85 3kaw h PRO 110 Ca -0.51 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3kaw h PRO 110 Cb 1.29 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 3kaw h PRO 110 CO 0.59 -0.16 0.06 -0.07 -0.23 0.00 0.00 178.00 178.19 3kaw h LEU 111 N -0.24 0.00 -0.00 1.56 4.07 -1.97 0.29 115.31 119.01 3kaw h LEU 111 Ca 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 3kaw h LEU 111 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3kaw h LEU 111 CO -0.61 0.00 -0.03 -0.33 -1.08 0.00 0.00 178.44 176.39 3kaw h GLU 112 N 0.00 0.02 -0.17 1.13 5.08 -1.34 -2.02 114.58 117.28 3kaw h GLU 112 Ca 0.03 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3kaw h GLU 112 Cb 0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3kaw h GLU 112 CO -0.00 0.74 -0.43 0.07 -1.00 0.00 0.00 179.01 178.39 3kaw h ARG 113 N -0.69 0.41 -0.54 2.33 -0.00 -0.88 -2.35 114.38 112.67 3kaw h ARG 113 Ca -0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 59.98 59.67 3kaw h ARG 113 Cb 0.75 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.70 3kaw h ARG 113 CO 0.01 0.77 -0.03 0.93 -0.00 0.00 0.00 179.97 181.64 3kaw h GLU 114 N 0.34 0.95 0.07 0.08 5.08 -0.51 0.15 114.58 120.74 3kaw h GLU 114 Ca 0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kaw h GLU 114 Cb 0.90 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kaw h GLU 114 CO 0.08 0.96 -0.04 0.00 -1.00 0.00 0.00 179.01 179.01 3kaw h ALA 116 N 0.38 1.24 -0.20 0.00 0.00 -1.40 -2.02 119.26 117.26 3kaw h ALA 116 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3kaw h ALA 116 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kaw h ALA 116 CO 0.02 0.50 0.10 0.78 0.00 0.00 0.00 179.25 180.65 3kaw h GLY 117 N 0.91 0.30 1.27 0.00 0.00 -0.65 -1.55 103.07 103.36 3kaw h GLY 117 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3kaw h GLY 117 CO 0.02 0.14 0.12 0.00 0.00 0.00 0.00 176.54 176.82 3kaw h ALA 118 N 0.98 1.13 0.20 3.60 0.00 -1.05 -1.41 119.26 122.70 3kaw h ALA 118 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kaw h ALA 118 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kaw h ALA 118 CO -0.01 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 3kaw h ARG 120 N -0.30 0.82 -0.54 0.00 3.08 -1.05 0.11 114.38 116.51 3kaw h ARG 120 Ca -0.02 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3kaw h ARG 120 Cb 0.24 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3kaw h ARG 120 CO 0.03 0.54 0.32 -0.09 -1.07 0.00 0.00 179.97 179.70 3kaw h ARG 121 N 0.85 0.61 0.02 0.04 2.43 -1.02 -1.08 114.38 116.23 3kaw h ARG 121 Ca 0.35 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3kaw h ARG 121 Cb 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3kaw h ARG 121 CO -0.19 0.41 -0.01 0.35 -1.51 0.00 0.00 179.97 179.02 3kaw h PHE 122 N 0.63 -0.03 -0.66 2.20 3.57 -0.29 -2.19 116.94 120.18 3kaw h PHE 122 Ca 0.22 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.84 3kaw h PHE 122 Cb 0.04 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 3kaw h PHE 122 CO -0.07 -0.01 0.19 0.28 -2.23 0.00 0.00 178.31 176.47 3kaw h VAL 123 N -0.03 0.65 0.00 1.41 2.07 -0.35 -1.32 116.25 118.67 3kaw h VAL 123 Ca -0.00 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3kaw h VAL 123 Cb 0.03 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kaw h VAL 123 CO 0.00 0.06 -0.25 -0.33 0.02 0.00 0.00 177.57 177.07 3kaw h GLU 124 N 0.33 0.00 0.00 1.57 4.39 -0.90 -2.57 114.58 117.39 3kaw h GLU 124 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3kaw h GLU 124 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3kaw h GLU 124 CO -0.40 0.25 -0.32 0.00 -1.16 0.00 0.00 179.01 177.38 3kaw n ALA 125 N -2.36 2.68 0.07 3.43 0.00 -0.56 -3.93 120.51 119.84 3kaw n ALA 125 Ca -0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3kaw n ALA 125 Cb 0.35 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.24 0.32 0.00 0.00 3.08 -1.66 0.96 114.38 116.85 3kaw h ARG 127 Ca -0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3kaw h ARG 127 Cb 1.79 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.77 3kaw h ARG 127 CO 0.17 0.21 0.00 -0.35 -1.07 0.00 0.00 179.97 178.93 3kaw n PRO 128 N -5.11 0.22 0.00 0.04 -0.04 -1.26 -2.14 135.00 126.71 3kaw n PRO 128 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3kaw n PRO 128 Cb 0.48 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.00 0.00 1.53 4.77 0.25 -5.09 117.00 117.72 3kaw n LEU 129 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kaw n LEU 129 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kaw n LEU 129 CO 0.02 0.00 0.22 0.18 -1.33 0.00 0.00 177.39 176.48