#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw6 n GLY 52 N 0.00 -0.99 3.55 3.03 0.00 -1.26 -4.68 105.19 104.84 2kw6 n GLY 52 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2kw6 n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kw6 s HIS 53 N -2.00 2.52 -0.18 1.61 2.46 -1.26 -4.92 115.29 113.52 2kw6 s HIS 53 Ca 0.37 -0.72 -0.12 0.00 0.47 0.00 0.00 55.06 55.06 2kw6 s HIS 53 Cb 0.17 -4.66 0.06 0.00 -0.13 0.00 0.00 32.58 28.02 2kw6 s HIS 53 CO 0.29 -1.94 0.44 -1.58 -2.47 0.00 0.00 174.74 169.48 2kw6 s HIS 54 N 4.97 -0.61 -1.00 3.88 5.04 -1.26 -5.09 115.29 121.22 2kw6 s HIS 54 Ca 0.43 1.34 -0.24 0.00 -1.54 0.00 0.00 55.06 55.04 2kw6 s HIS 54 Cb -0.02 0.27 -0.08 0.00 0.04 0.00 0.00 32.58 32.80 2kw6 s HIS 54 CO -0.05 -0.33 1.98 -1.01 -2.34 0.00 0.00 174.74 172.99 2kw6 s HIS 55 N 1.11 1.78 -0.26 3.88 0.09 -1.26 -4.93 115.29 115.69 2kw6 s HIS 55 Ca -0.07 0.76 -0.10 0.00 -0.00 0.00 0.00 55.06 55.65 2kw6 s HIS 55 Cb -0.07 -3.95 -0.05 0.00 -0.00 0.00 0.00 32.58 28.52 2kw6 s HIS 55 CO -0.10 -1.50 0.15 -3.38 -0.00 0.00 0.00 174.74 169.92 2kw6 s HIS 56 N 11.08 3.21 -0.14 1.40 -0.00 -1.26 -5.09 115.29 124.50 2kw6 s HIS 56 Ca 0.72 0.03 -0.21 0.00 -0.00 0.00 0.00 55.06 55.60 2kw6 s HIS 56 Cb -0.05 -2.31 -0.03 0.00 -0.00 0.00 0.00 32.58 30.18 2kw6 s HIS 56 CO 0.05 -0.14 0.61 -1.01 -0.00 0.00 0.00 174.74 174.25 2kw6 s HIS 57 N 1.52 3.47 0.15 0.38 0.09 -1.26 -5.06 115.29 114.58 2kw6 s HIS 57 Ca 0.07 1.01 -0.30 0.00 -0.00 0.00 0.00 55.06 55.83 2kw6 s HIS 57 Cb -0.15 -2.73 -0.08 0.00 -0.00 0.00 0.00 32.58 29.62 2kw6 s HIS 57 CO 0.08 -0.01 1.27 -3.38 -0.00 0.00 0.00 174.74 172.70 2kw6 s HIS 58 N 1.24 3.34 0.93 1.40 -0.00 -1.26 -5.03 115.29 115.92 2kw6 s HIS 58 Ca 0.30 1.24 -0.11 0.00 -0.00 0.00 0.00 55.06 56.49 2kw6 s HIS 58 Cb -0.16 -3.53 0.15 0.00 -0.00 0.00 0.00 32.58 29.04 2kw6 s HIS 58 CO 0.13 -1.67 1.10 0.45 -0.00 0.00 0.00 174.74 174.74 2kw6 s SER 59 N 0.60 3.01 0.00 7.38 0.15 -1.26 -4.93 113.70 118.64 2kw6 s SER 59 Ca 0.58 1.77 0.31 0.00 0.70 0.00 0.00 55.95 59.30 2kw6 s SER 59 Cb -0.34 -2.38 1.69 0.00 -1.71 0.00 0.00 66.02 63.28 2kw6 s SER 59 CO 0.34 -2.97 2.12 1.41 1.20 0.00 0.00 173.24 175.34 2kw6 n HIS 60 N -4.13 0.00 -1.61 3.44 -0.00 -1.26 -4.72 115.22 106.94 2kw6 n HIS 60 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.46 2kw6 n HIS 60 Cb 0.54 -0.15 0.07 0.00 -0.00 0.00 0.00 29.99 30.45 2kw6 n HIS 60 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kw6 s SER 61 N -2.30 4.64 0.35 0.41 0.15 -1.26 -4.97 113.70 110.72 2kw6 s SER 61 Ca 0.38 2.22 0.19 0.00 0.70 0.00 0.00 55.95 59.43 2kw6 s SER 61 Cb 0.21 -2.57 0.35 0.00 -1.71 0.00 0.00 66.02 62.30 2kw6 s SER 61 CO 0.41 -1.96 1.58 0.50 1.20 0.00 0.00 173.24 174.98 2kw6 h LYS 62 N -0.06 0.00 0.00 5.44 1.63 -2.01 -2.63 116.57 118.94 2kw6 h LYS 62 Ca -0.48 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 2kw6 h LYS 62 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2kw6 h LYS 62 CO 0.52 0.34 -0.25 1.88 -3.45 0.00 0.00 179.45 178.49 2kw6 h TYR 63 N 0.00 0.00 0.00 1.91 0.05 -1.95 -1.96 116.97 115.02 2kw6 h TYR 63 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2kw6 h TYR 63 Cb 1.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 2kw6 h TYR 63 CO 0.00 0.25 -0.20 0.00 -1.05 0.00 0.00 178.16 177.16 2kw6 h ALA 64 N 1.75 0.94 -0.08 3.88 0.00 -1.75 0.14 119.26 124.13 2kw6 h ALA 64 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kw6 h ALA 64 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kw6 h ALA 64 CO 0.03 0.25 -0.27 1.49 0.00 0.00 0.00 179.25 180.75 2kw6 h GLU 65 N 0.00 0.33 -1.00 0.00 4.57 -1.42 -1.94 114.58 115.13 2kw6 h GLU 65 Ca -0.00 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 57.96 2kw6 h GLU 65 Cb 0.89 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 2kw6 h GLU 65 CO 0.03 0.87 0.66 1.25 -1.18 0.00 0.00 179.01 180.63 2kw6 h LEU 66 N -0.14 1.11 -0.13 1.64 5.85 -1.13 -1.52 115.31 120.98 2kw6 h LEU 66 Ca -0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kw6 h LEU 66 Cb 0.90 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2kw6 h LEU 66 CO 0.06 0.77 0.03 0.25 -0.34 0.00 0.00 178.44 179.21 2kw6 h LEU 67 N 1.29 0.19 -1.05 2.25 5.85 -0.77 -3.01 115.31 120.05 2kw6 h LEU 67 Ca 0.39 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kw6 h LEU 67 Cb -0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2kw6 h LEU 67 CO -0.11 0.36 0.41 0.00 -0.34 0.00 0.00 178.44 178.77 2kw6 h ALA 68 N 0.83 1.28 0.89 1.25 0.00 -0.73 -0.04 119.26 122.74 2kw6 h ALA 68 Ca 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kw6 h ALA 68 Cb 0.25 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kw6 h ALA 68 CO 0.00 0.58 -0.43 0.82 0.00 0.00 0.00 179.25 180.23 2kw6 h ILE 69 N 1.08 0.08 -0.16 0.00 2.04 -1.34 -2.89 117.51 116.32 2kw6 h ILE 69 Ca 0.27 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 2kw6 h ILE 69 Cb 0.04 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2kw6 h ILE 69 CO -0.04 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.45 2kw6 h ILE 70 N -1.26 1.14 -0.97 -0.67 2.04 -1.36 -0.25 117.51 116.19 2kw6 h ILE 70 Ca -0.12 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.21 2kw6 h ILE 70 Cb 0.92 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2kw6 h ILE 70 CO 0.20 0.19 0.63 -0.08 0.00 0.00 0.00 178.15 179.09 2kw6 h GLU 71 N 0.24 1.06 0.14 2.37 4.57 -1.01 -3.12 114.58 118.82 2kw6 h GLU 71 Ca 0.05 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.93 2kw6 h GLU 71 Cb 0.27 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2kw6 h GLU 71 CO 0.01 0.70 -1.17 0.93 -1.18 0.00 0.00 179.01 178.31 2kw6 h GLU 72 N 1.09 0.29 -1.03 1.92 5.08 -0.88 -3.38 114.58 117.68 2kw6 h GLU 72 Ca 0.43 -0.49 0.25 0.00 -1.00 0.00 0.00 59.36 58.55 2kw6 h GLU 72 Cb 0.23 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 2kw6 h GLU 72 CO -0.18 1.24 0.65 -0.07 -1.00 0.00 0.00 179.01 179.65 2kw6 h LEU 73 N -0.30 0.51 -1.15 1.33 3.38 -1.15 0.58 115.31 118.50 2kw6 h LEU 73 Ca -0.23 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2kw6 h LEU 73 Cb 1.74 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2kw6 h LEU 73 CO 0.11 0.11 -0.26 1.23 0.09 0.00 0.00 178.44 179.72 2kw6 h GLY 74 N 0.46 0.29 1.37 0.83 0.00 -1.72 -2.43 103.07 101.86 2kw6 h GLY 74 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2kw6 h GLY 74 CO -0.33 0.20 -0.40 0.28 0.00 0.00 0.00 176.54 176.29 2kw6 n LYS 75 N -4.15 0.16 0.02 4.80 4.01 0.11 -3.26 118.16 119.85 2kw6 n LYS 75 Ca -0.01 0.07 0.12 0.00 -0.51 0.00 0.00 58.31 57.98 2kw6 n LYS 75 Cb 0.37 -1.62 0.21 0.00 -0.51 0.00 0.00 35.03 33.48 2kw6 n LYS 75 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kw6 n GLU 76 N -1.86 0.13 -0.21 1.97 -0.58 -0.71 -3.87 120.64 115.51 2kw6 n GLU 76 Ca 0.05 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.74 2kw6 n GLU 76 Cb 0.39 -1.58 0.03 0.00 -0.57 0.00 0.00 31.44 29.71 2kw6 n GLU 76 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2kw6 h ILE 77 N 0.00 1.25 -0.12 -3.67 2.04 -1.46 -2.48 117.51 113.07 2kw6 h ILE 77 Ca 0.00 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.96 2kw6 h ILE 77 Cb 0.61 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2kw6 h ILE 77 CO 0.00 0.34 -0.52 0.03 0.00 0.00 0.00 178.15 178.01 2kw6 h ARG 78 N 0.87 -0.54 -0.06 2.37 2.47 -1.74 -0.35 114.38 117.42 2kw6 h ARG 78 Ca 0.19 0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.82 2kw6 h ARG 78 Cb 0.36 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2kw6 h ARG 78 CO 0.00 -0.36 -0.55 -1.00 0.56 0.00 0.00 179.97 178.63 2kw6 h PRO 79 N -0.56 0.16 -0.04 0.04 0.13 -1.79 -2.08 132.00 127.87 2kw6 h PRO 79 Ca 0.03 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2kw6 h PRO 79 Cb 0.65 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 2kw6 h PRO 79 CO -0.41 0.67 -0.11 1.15 -0.23 0.00 0.00 178.00 179.07 2kw6 h THR 80 N 0.13 0.72 0.00 1.56 2.02 -1.22 -0.94 112.91 115.18 2kw6 h THR 80 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2kw6 h THR 80 Cb 1.00 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2kw6 h THR 80 CO 0.08 0.00 -0.22 0.22 0.37 0.00 0.00 175.52 175.97 2kw6 h TYR 81 N -0.16 0.00 0.00 3.16 3.20 -1.11 -2.52 116.97 119.53 2kw6 h TYR 81 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2kw6 h TYR 81 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2kw6 h TYR 81 CO -0.19 0.22 0.00 0.00 -1.64 0.00 0.00 178.16 176.55 2kw6 n ALA 82 N -2.29 1.91 0.00 1.82 0.00 -0.71 -4.89 120.51 116.35 2kw6 n ALA 82 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kw6 n ALA 82 Cb 0.35 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2kw6 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kw6 n GLY 83 N 0.55 1.31 3.59 0.00 0.00 -0.88 -5.06 105.19 104.70 2kw6 n GLY 83 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2kw6 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kw6 s SER 84 N -2.00 6.48 0.52 1.61 0.01 -0.44 -4.93 113.70 114.95 2kw6 s SER 84 Ca 0.00 0.33 0.31 0.00 1.31 0.00 0.00 55.95 57.90 2kw6 s SER 84 Cb 0.00 -2.34 1.22 0.00 0.21 0.00 0.00 66.02 65.12 2kw6 s SER 84 CO 0.00 -0.54 1.93 0.50 0.41 0.00 0.00 173.24 175.54 2kw6 h LYS 85 N 8.30 0.00 -0.11 12.44 3.64 -1.91 -2.70 116.57 136.23 2kw6 h LYS 85 Ca -0.26 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2kw6 h LYS 85 Cb 1.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2kw6 h LYS 85 CO 0.82 0.04 -0.14 0.77 -2.27 0.00 0.00 179.45 178.68 2kw6 h SER 86 N 0.00 0.31 -0.42 4.20 0.02 -1.96 -3.30 113.55 112.40 2kw6 h SER 86 Ca -0.00 -0.50 -0.14 0.00 -0.84 0.00 0.00 61.79 60.30 2kw6 h SER 86 Cb 0.58 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2kw6 h SER 86 CO 0.01 0.76 -0.29 0.00 -1.14 0.00 0.00 176.83 176.16 2kw6 h ALA 87 N 0.57 0.66 -0.31 3.77 0.00 -1.85 -2.25 119.26 119.84 2kw6 h ALA 87 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2kw6 h ALA 87 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kw6 h ALA 87 CO 0.03 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.16 2kw6 h MET 88 N 0.80 0.38 0.07 0.00 -0.00 -1.62 0.80 114.93 115.36 2kw6 h MET 88 Ca 0.09 -0.02 -0.24 0.00 -0.00 0.00 0.00 59.70 59.52 2kw6 h MET 88 Cb 0.87 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2kw6 h MET 88 CO 0.08 0.25 -1.09 0.93 -0.00 0.00 0.00 176.91 177.08 2kw6 h GLU 89 N 0.39 0.25 -0.22 -0.10 4.39 -1.58 0.10 114.58 117.81 2kw6 h GLU 89 Ca 0.12 -0.35 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 2kw6 h GLU 89 Cb -0.00 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2kw6 h GLU 89 CO -0.03 1.12 -0.31 0.00 -1.16 0.00 0.00 179.01 178.63 2kw6 h ARG 90 N 0.10 0.46 -0.03 2.33 2.47 -0.81 -1.40 114.38 117.50 2kw6 h ARG 90 Ca -0.09 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 2kw6 h ARG 90 Cb 1.78 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.09 2kw6 h ARG 90 CO 0.17 0.72 -0.11 1.25 0.56 0.00 0.00 179.97 182.57 2kw6 h LEU 91 N 0.39 0.14 0.22 3.04 5.85 -0.87 -3.09 115.31 121.00 2kw6 h LEU 91 Ca 0.05 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2kw6 h LEU 91 Cb 0.75 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2kw6 h LEU 91 CO 0.06 0.76 -0.11 0.50 -0.34 0.00 0.00 178.44 179.31 2kw6 h LYS 92 N -0.47 -0.29 0.00 1.25 3.64 -0.94 -0.92 116.57 118.84 2kw6 h LYS 92 Ca -0.01 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2kw6 h LYS 92 Cb 0.75 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2kw6 h LYS 92 CO 0.02 0.08 -0.27 0.00 -2.27 0.00 0.00 179.45 177.00 2kw6 h ARG 93 N -0.75 0.00 -0.13 1.90 -0.00 -1.44 -0.95 114.38 113.02 2kw6 h ARG 93 Ca -0.03 0.00 -0.17 0.00 -0.50 0.00 0.00 59.98 59.28 2kw6 h ARG 93 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.48 2kw6 h ARG 93 CO 0.05 0.27 -0.58 0.78 0.00 0.00 0.00 179.97 180.50 2kw6 h GLY 94 N 1.02 0.69 1.02 0.04 0.00 -1.52 -1.51 103.07 102.80 2kw6 h GLY 94 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 2kw6 h GLY 94 CO 0.04 0.85 0.39 -2.22 0.00 0.00 0.00 176.54 175.59 2kw6 h ILE 95 N 0.28 1.24 -0.24 2.60 2.04 -0.49 0.10 117.51 123.04 2kw6 h ILE 95 Ca -0.04 -0.64 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 2kw6 h ILE 95 Cb 1.22 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2kw6 h ILE 95 CO 0.12 0.27 -0.49 0.40 0.00 0.00 0.00 178.15 178.45 2kw6 h ILE 96 N 1.06 1.30 -0.54 -0.67 2.04 -1.27 -0.75 117.51 118.69 2kw6 h ILE 96 Ca 0.26 -1.70 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 2kw6 h ILE 96 Cb 0.08 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2kw6 h ILE 96 CO -0.04 0.54 0.22 -0.74 0.00 0.00 0.00 178.15 178.13 2kw6 h HIS 97 N 0.51 0.82 -0.66 1.37 2.76 -1.03 -1.69 115.15 117.23 2kw6 h HIS 97 Ca 0.02 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 2kw6 h HIS 97 Cb 1.04 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 2kw6 h HIS 97 CO 0.05 0.67 0.22 0.00 -1.30 0.00 0.00 177.93 177.56 2kw6 h ALA 98 N 1.07 0.87 -0.45 5.26 0.00 -0.61 -1.81 119.26 123.58 2kw6 h ALA 98 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kw6 h ALA 98 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kw6 h ALA 98 CO -0.02 0.53 0.08 -0.09 0.00 0.00 0.00 179.25 179.76 2kw6 h ARG 99 N 0.96 0.70 -0.05 0.00 2.43 -1.04 -1.72 114.38 115.65 2kw6 h ARG 99 Ca 0.22 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2kw6 h ARG 99 Cb 0.28 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2kw6 h ARG 99 CO -0.01 0.66 -0.51 0.78 -1.51 0.00 0.00 179.97 179.38 2kw6 h GLY 100 N 0.90 0.15 1.45 2.80 0.00 -0.81 -1.46 103.07 106.10 2kw6 h GLY 100 Ca 0.15 -0.16 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 2kw6 h GLY 100 CO 0.00 0.14 -0.86 1.41 0.00 0.00 0.00 176.54 177.24 2kw6 h LEU 101 N 0.11 0.64 -0.92 3.11 3.38 -0.85 -2.56 115.31 118.22 2kw6 h LEU 101 Ca 0.00 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 2kw6 h LEU 101 Cb 0.94 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kw6 h LEU 101 CO 0.07 1.25 -0.41 0.58 0.09 0.00 0.00 178.44 180.02 2kw6 h VAL 102 N 0.32 1.31 -0.75 1.22 2.07 -1.19 -0.40 116.25 118.83 2kw6 h VAL 102 Ca -0.07 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 2kw6 h VAL 102 Cb 1.48 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2kw6 h VAL 102 CO 0.16 0.46 0.24 0.03 0.02 0.00 0.00 177.57 178.48 2kw6 h ARG 103 N 0.23 1.17 -0.55 1.57 2.47 -1.23 -0.31 114.38 117.73 2kw6 h ARG 103 Ca 0.02 -0.25 -0.09 0.00 -1.26 0.00 0.00 59.98 58.40 2kw6 h ARG 103 Cb 0.82 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2kw6 h ARG 103 CO 0.07 0.99 -0.03 1.49 0.56 0.00 0.00 179.97 183.04 2kw6 h GLU 104 N 1.12 0.96 -0.62 0.04 4.81 -1.10 -0.56 114.58 119.23 2kw6 h GLU 104 Ca 0.24 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2kw6 h GLU 104 Cb 0.30 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2kw6 h GLU 104 CO -0.01 0.97 0.11 0.00 -0.73 0.00 0.00 179.01 179.35 2kw6 h LEU 106 N 0.94 0.53 -1.14 0.00 3.38 -0.82 -0.07 115.31 118.15 2kw6 h LEU 106 Ca 0.19 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2kw6 h LEU 106 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2kw6 h LEU 106 CO 0.01 1.07 0.03 0.00 0.09 0.00 0.00 178.44 179.64 2kw6 h ALA 107 N 0.92 1.29 0.24 1.53 0.00 -0.99 0.32 119.26 122.58 2kw6 h ALA 107 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kw6 h ALA 107 Cb 1.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kw6 h ALA 107 CO 0.12 0.48 -0.12 1.49 0.00 0.00 0.00 179.25 181.23 2kw6 h GLU 108 N 0.60 -0.31 0.00 0.00 4.81 -1.23 -3.30 114.58 115.15 2kw6 h GLU 108 Ca 0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kw6 h GLU 108 Cb 0.34 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2kw6 h GLU 108 CO 0.01 0.06 0.00 1.15 -0.73 0.00 0.00 179.01 179.50 2kw6 h THR 109 N -0.84 0.00 -0.31 0.32 2.02 -0.93 -2.62 112.91 110.56 2kw6 h THR 109 Ca -0.03 -0.24 0.09 0.00 0.77 0.00 0.00 66.41 66.99 2kw6 h THR 109 Cb 0.51 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2kw6 h THR 109 CO 0.05 0.00 0.22 -0.08 0.37 0.00 0.00 175.52 176.09 2kw6 h GLU 110 N 0.00 0.00 0.00 6.66 4.57 -1.01 0.43 114.58 125.23 2kw6 h GLU 110 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2kw6 h GLU 110 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2kw6 h GLU 110 CO 0.00 0.00 -0.64 0.00 -1.18 0.00 0.00 179.01 177.19 2kw6 h ARG 111 N 0.00 0.00 0.00 1.92 3.08 -1.66 -3.35 114.38 114.37 2kw6 h ARG 111 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2kw6 h ARG 111 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kw6 h ARG 111 CO -0.00 0.15 -1.36 -1.71 -1.07 0.00 0.00 179.97 175.99 2kw6 n ASN 112 N -2.97 0.56 -3.60 7.04 4.05 -0.06 -4.99 115.26 115.29 2kw6 n ASN 112 Ca 0.00 -0.46 -0.13 0.00 0.45 0.00 0.00 54.58 54.44 2kw6 n ASN 112 Cb 0.63 1.30 -0.07 0.00 1.23 0.00 0.00 39.78 42.88 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kw6 s ALA 113 N -3.23 -1.85 0.06 5.20 0.00 0.13 -5.09 121.76 116.98 2kw6 s ALA 113 Ca 0.01 1.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.57 2kw6 s ALA 113 Cb 0.15 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2kw6 s ALA 113 CO 0.87 -0.32 0.38 -0.98 0.00 0.00 0.00 175.76 175.71 2kw6 s ARG 114 N -0.23 0.91 0.00 0.00 1.70 -1.26 -4.03 118.95 116.04 2kw6 s ARG 114 Ca -0.02 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.77 2kw6 s ARG 114 Cb -0.03 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 2kw6 s ARG 114 CO 0.01 -0.32 0.00 0.43 -1.08 0.00 0.00 175.30 174.35