#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw6 s GLY 52 N 0.00 1.38 0.00 3.03 0.00 -1.26 -4.89 107.32 105.58 2kw6 s GLY 52 Ca 0.00 0.54 0.13 0.00 0.00 0.00 0.00 44.72 45.39 2kw6 s GLY 52 CO 0.00 2.88 1.19 1.42 0.00 0.00 0.00 173.10 178.59 2kw6 n HIS 53 N 7.76 0.38 -2.02 1.90 -0.00 -1.26 -4.97 115.22 117.02 2kw6 n HIS 53 Ca 0.17 -0.33 -0.40 0.00 -0.00 0.00 0.00 57.72 57.16 2kw6 n HIS 53 Cb 0.45 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 2kw6 n HIS 53 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw6 s HIS 54 N -1.05 1.72 -0.48 4.41 5.65 -1.26 -4.80 115.29 119.49 2kw6 s HIS 54 Ca 0.25 0.76 0.14 0.00 0.25 0.00 0.00 55.06 56.45 2kw6 s HIS 54 Cb 0.14 -4.09 -0.16 0.00 -1.18 0.00 0.00 32.58 27.28 2kw6 s HIS 54 CO 0.19 -2.55 0.50 0.72 -0.65 0.00 0.00 174.74 172.95 2kw6 n HIS 55 N 11.76 0.00 -2.36 3.88 -0.00 -1.26 -4.90 115.22 122.34 2kw6 n HIS 55 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.53 2kw6 n HIS 55 Cb 0.50 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 30.38 2kw6 n HIS 55 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw6 s HIS 56 N -2.45 2.14 0.33 4.41 5.65 -1.26 -4.97 115.29 119.14 2kw6 s HIS 56 Ca 0.02 0.37 0.04 0.00 0.25 0.00 0.00 55.06 55.74 2kw6 s HIS 56 Cb 0.10 -4.40 -0.06 0.00 -1.18 0.00 0.00 32.58 27.04 2kw6 s HIS 56 CO 0.56 -2.09 0.07 -3.38 -0.65 0.00 0.00 174.74 169.24 2kw6 s HIS 57 N 6.63 1.93 0.23 3.88 -0.00 -1.26 -5.13 115.29 121.57 2kw6 s HIS 57 Ca 0.50 -1.00 -0.30 0.00 -0.00 0.00 0.00 55.06 54.27 2kw6 s HIS 57 Cb -0.10 -1.26 -0.09 0.00 -0.00 0.00 0.00 32.58 31.12 2kw6 s HIS 57 CO 0.21 -0.03 1.29 -1.01 -0.00 0.00 0.00 174.74 175.20 2kw6 s HIS 58 N -3.30 3.24 0.13 0.38 3.76 -1.26 -4.96 115.29 113.28 2kw6 s HIS 58 Ca 0.35 1.30 -0.14 0.00 -0.15 0.00 0.00 55.06 56.42 2kw6 s HIS 58 Cb 0.08 -3.59 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 2kw6 s HIS 58 CO 0.15 -1.76 1.57 0.66 -0.85 0.00 0.00 174.74 174.51 2kw6 h SER 59 N 4.81 0.73 -3.17 1.40 4.64 -2.00 -3.34 113.55 116.61 2kw6 h SER 59 Ca -0.46 -0.32 -0.81 0.00 -0.47 0.00 0.00 61.79 59.74 2kw6 h SER 59 Cb 1.22 -0.20 -0.28 0.00 -0.31 0.00 0.00 62.40 62.83 2kw6 h SER 59 CO 0.74 0.87 0.66 1.41 -0.87 0.00 0.00 176.83 179.64 2kw6 n HIS 60 N -4.41 3.48 -3.72 4.77 -0.00 -1.26 -4.93 115.22 109.15 2kw6 n HIS 60 Ca -0.01 -3.12 -0.12 0.00 -0.00 0.00 0.00 57.72 54.47 2kw6 n HIS 60 Cb 0.30 -1.44 -0.11 0.00 -0.00 0.00 0.00 29.99 28.74 2kw6 n HIS 60 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kw6 s SER 61 N -0.53 -0.44 0.12 0.41 0.01 -1.26 -5.07 113.70 106.94 2kw6 s SER 61 Ca 0.31 0.81 -0.24 0.00 1.31 0.00 0.00 55.95 58.14 2kw6 s SER 61 Cb -0.01 0.76 -0.06 0.00 0.21 0.00 0.00 66.02 66.91 2kw6 s SER 61 CO 0.03 -0.16 1.66 0.50 0.41 0.00 0.00 173.24 175.68 2kw6 h LYS 62 N 6.32 -0.28 0.00 12.44 3.64 -1.94 -2.86 116.57 133.89 2kw6 h LYS 62 Ca -0.32 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2kw6 h LYS 62 Cb 1.18 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2kw6 h LYS 62 CO 0.28 -0.19 -0.20 1.88 -2.27 0.00 0.00 179.45 178.96 2kw6 h TYR 63 N -0.29 0.00 -0.49 1.91 0.05 -1.97 -2.89 116.97 113.28 2kw6 h TYR 63 Ca 0.06 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 2kw6 h TYR 63 Cb 0.36 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 2kw6 h TYR 63 CO -0.23 0.20 0.13 0.00 -1.05 0.00 0.00 178.16 177.21 2kw6 h ALA 64 N 1.80 1.32 -0.11 3.88 0.00 -1.81 0.21 119.26 124.55 2kw6 h ALA 64 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2kw6 h ALA 64 Cb 0.79 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kw6 h ALA 64 CO 0.03 0.49 -0.48 1.49 0.00 0.00 0.00 179.25 180.78 2kw6 h GLU 65 N 0.71 0.51 -0.11 0.00 4.81 -1.51 -3.13 114.58 115.86 2kw6 h GLU 65 Ca 0.16 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2kw6 h GLU 65 Cb 0.24 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kw6 h GLU 65 CO -0.01 1.03 0.07 1.25 -0.73 0.00 0.00 179.01 180.62 2kw6 h LEU 66 N 0.11 0.13 0.13 1.64 5.85 -1.29 -1.05 115.31 120.83 2kw6 h LEU 66 Ca -0.03 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2kw6 h LEU 66 Cb 1.12 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2kw6 h LEU 66 CO 0.10 0.14 -0.17 0.25 -0.34 0.00 0.00 178.44 178.41 2kw6 h LEU 67 N 0.11 -0.47 -1.40 2.25 5.85 -1.10 -2.36 115.31 118.18 2kw6 h LEU 67 Ca 0.04 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2kw6 h LEU 67 Cb 0.03 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2kw6 h LEU 67 CO -0.01 -0.26 0.42 0.00 -0.34 0.00 0.00 178.44 178.25 2kw6 h ALA 68 N 0.46 1.59 0.16 1.25 0.00 -1.45 -2.52 119.26 118.74 2kw6 h ALA 68 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kw6 h ALA 68 Cb 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kw6 h ALA 68 CO -0.07 0.37 -0.08 0.82 0.00 0.00 0.00 179.25 180.29 2kw6 h ILE 69 N 0.82 0.98 0.15 0.00 2.04 -1.03 -2.96 117.51 117.51 2kw6 h ILE 69 Ca 0.24 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2kw6 h ILE 69 Cb -0.04 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2kw6 h ILE 69 CO -0.06 0.16 -0.20 0.40 0.00 0.00 0.00 178.15 178.46 2kw6 h ILE 70 N -0.55 0.56 0.00 -0.67 2.04 -1.07 -1.73 117.51 116.09 2kw6 h ILE 70 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2kw6 h ILE 70 Cb 0.42 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2kw6 h ILE 70 CO 0.04 0.00 -0.07 1.05 0.00 0.00 0.00 178.15 179.17 2kw6 h GLU 71 N -0.40 0.00 -0.16 2.37 4.11 -1.59 -2.28 114.58 116.63 2kw6 h GLU 71 Ca 0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.25 2kw6 h GLU 71 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kw6 h GLU 71 CO -0.08 0.07 -0.67 1.49 0.07 0.00 0.00 179.01 179.89 2kw6 h GLU 72 N 0.00 0.73 0.00 1.06 4.81 -1.16 -2.88 114.58 117.14 2kw6 h GLU 72 Ca -0.00 -0.58 -0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2kw6 h GLU 72 Cb 0.20 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2kw6 h GLU 72 CO 0.01 1.19 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.40 2kw6 h LEU 73 N 0.44 0.00 -1.35 1.64 3.38 -0.77 -2.06 115.31 116.60 2kw6 h LEU 73 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2kw6 h LEU 73 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2kw6 h LEU 73 CO 0.14 0.02 -0.29 1.23 0.09 0.00 0.00 178.44 179.63 2kw6 h GLY 74 N 0.14 0.00 2.00 0.83 0.00 -1.35 -2.62 103.07 102.06 2kw6 h GLY 74 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2kw6 h GLY 74 CO 0.00 0.00 -0.33 0.50 0.00 0.00 0.00 176.54 176.71 2kw6 h LYS 75 N 0.00 0.00 -0.02 4.80 1.79 -1.45 -3.27 116.57 118.42 2kw6 h LYS 75 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kw6 h LYS 75 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2kw6 h LYS 75 CO 0.04 0.33 -0.00 0.39 -1.08 0.00 0.00 179.45 179.13 2kw6 n GLU 76 N -3.45 1.85 0.18 3.15 -0.58 -0.99 -4.52 120.64 116.27 2kw6 n GLU 76 Ca 0.00 -1.24 -0.10 0.00 -0.42 0.00 0.00 57.16 55.40 2kw6 n GLU 76 Cb 0.50 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 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 3.02 0.23 -0.35 -3.67 2.04 -1.61 -2.53 117.51 114.63 2kw6 h ILE 77 Ca 0.00 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2kw6 h ILE 77 Cb 0.64 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2kw6 h ILE 77 CO 0.00 0.05 0.02 0.03 0.00 0.00 0.00 178.15 178.25 2kw6 h ARG 78 N -1.07 0.12 -0.66 2.37 3.08 -1.83 -0.42 114.38 115.98 2kw6 h ARG 78 Ca -0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2kw6 h ARG 78 Cb 0.48 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2kw6 h ARG 78 CO 0.09 0.08 0.29 -1.00 -1.07 0.00 0.00 179.97 178.36 2kw6 h PRO 79 N 0.12 0.96 -0.62 0.04 0.13 -1.83 -1.36 132.00 129.44 2kw6 h PRO 79 Ca 0.17 -0.16 0.09 0.00 -0.87 0.00 0.00 66.00 65.24 2kw6 h PRO 79 Cb 0.23 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 31.12 2kw6 h PRO 79 CO -0.27 0.78 0.25 1.15 -0.23 0.00 0.00 178.00 179.68 2kw6 h THR 80 N 0.91 0.80 -0.36 1.56 2.02 -1.06 -0.58 112.91 116.20 2kw6 h THR 80 Ca 0.22 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 2kw6 h THR 80 Cb 0.16 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2kw6 h THR 80 CO -0.02 0.08 0.01 0.22 0.37 0.00 0.00 175.52 176.18 2kw6 h TYR 81 N 0.45 0.58 -0.18 3.16 3.20 -0.93 -2.35 116.97 120.91 2kw6 h TYR 81 Ca 0.31 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2kw6 h TYR 81 Cb 0.35 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2kw6 h TYR 81 CO -0.15 0.56 0.00 0.00 -1.64 0.00 0.00 178.16 176.93 2kw6 n ALA 82 N -2.48 2.64 -2.28 1.82 0.00 -0.53 -4.88 120.51 114.80 2kw6 n ALA 82 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 2kw6 n ALA 82 Cb 0.25 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.53 0.53 3.52 0.00 0.00 -0.88 -5.03 105.19 103.86 2kw6 n GLY 83 Ca 0.07 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.97 6.28 0.44 1.61 0.01 -0.34 -4.95 113.70 113.79 2kw6 s SER 84 Ca 0.02 -0.38 0.16 0.00 1.31 0.00 0.00 55.95 57.07 2kw6 s SER 84 Cb -0.01 -2.28 0.99 0.00 0.21 0.00 0.00 66.02 64.94 2kw6 s SER 84 CO 0.03 -0.65 1.95 0.50 0.41 0.00 0.00 173.24 175.48 2kw6 h LYS 85 N 8.74 0.00 -0.18 12.44 3.64 -1.92 -3.07 116.57 136.22 2kw6 h LYS 85 Ca -0.26 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2kw6 h LYS 85 Cb 1.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2kw6 h LYS 85 CO 0.84 0.23 -0.14 1.03 -2.27 0.00 0.00 179.45 179.14 2kw6 h SER 86 N 0.00 0.43 -0.24 4.20 0.87 -1.97 -3.10 113.55 113.75 2kw6 h SER 86 Ca -0.00 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 2kw6 h SER 86 Cb 0.44 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2kw6 h SER 86 CO 0.03 0.79 0.11 0.00 -0.53 0.00 0.00 176.83 177.23 2kw6 h ALA 87 N 0.65 0.31 0.00 6.23 0.00 -1.88 -2.83 119.26 121.75 2kw6 h ALA 87 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2kw6 h ALA 87 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kw6 h ALA 87 CO 0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 179.25 178.95 2kw6 h MET 88 N 0.25 0.00 -0.09 0.00 -0.00 -1.60 -0.21 114.93 113.28 2kw6 h MET 88 Ca 0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.54 2kw6 h MET 88 Cb 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.74 2kw6 h MET 88 CO -0.01 0.21 -0.88 0.93 -0.00 0.00 0.00 176.91 177.16 2kw6 h GLU 89 N 0.00 0.74 -0.49 -0.10 5.08 -1.43 -0.53 114.58 117.85 2kw6 h GLU 89 Ca -0.00 -0.68 -0.11 0.00 -1.00 0.00 0.00 59.36 57.57 2kw6 h GLU 89 Cb 0.38 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2kw6 h GLU 89 CO 0.03 1.27 -0.15 0.00 -1.00 0.00 0.00 179.01 179.16 2kw6 h ARG 90 N 0.48 0.94 -0.60 2.33 3.08 -1.26 -1.66 114.38 117.69 2kw6 h ARG 90 Ca -0.08 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 2kw6 h ARG 90 Cb 1.52 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 2kw6 h ARG 90 CO 0.18 1.02 0.08 1.25 -1.07 0.00 0.00 179.97 181.43 2kw6 h LEU 91 N 0.83 0.96 -0.24 3.04 5.85 -1.02 -2.36 115.31 122.37 2kw6 h LEU 91 Ca 0.13 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2kw6 h LEU 91 Cb 0.69 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2kw6 h LEU 91 CO 0.05 0.99 -0.29 0.50 -0.34 0.00 0.00 178.44 179.35 2kw6 h LYS 92 N 0.90 0.62 -0.17 1.25 1.63 -1.03 -2.64 116.57 117.14 2kw6 h LYS 92 Ca 0.18 -0.35 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2kw6 h LYS 92 Cb 0.44 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2kw6 h LYS 92 CO 0.01 0.95 0.10 -0.09 -3.45 0.00 0.00 179.45 176.98 2kw6 h ARG 93 N 0.33 0.24 -0.19 1.90 2.43 -1.24 -2.22 114.38 115.63 2kw6 h ARG 93 Ca 0.03 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 2kw6 h ARG 93 Cb 0.86 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2kw6 h ARG 93 CO 0.07 0.22 -0.58 0.78 -1.51 0.00 0.00 179.97 178.95 2kw6 h GLY 94 N 0.19 0.65 0.95 2.80 0.00 -1.50 -2.21 103.07 103.96 2kw6 h GLY 94 Ca 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2kw6 h GLY 94 CO -0.01 0.70 0.14 -2.22 0.00 0.00 0.00 176.54 175.15 2kw6 h ILE 95 N 0.45 1.22 -0.50 2.60 2.04 -1.38 0.14 117.51 122.08 2kw6 h ILE 95 Ca 0.00 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2kw6 h ILE 95 Cb 1.14 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2kw6 h ILE 95 CO 0.11 0.26 0.29 0.40 0.00 0.00 0.00 178.15 179.20 2kw6 h ILE 96 N 0.56 1.16 -0.48 -0.67 2.04 -1.39 -1.52 117.51 117.21 2kw6 h ILE 96 Ca 0.14 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2kw6 h ILE 96 Cb 0.25 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2kw6 h ILE 96 CO -0.01 0.17 -0.08 -0.74 0.00 0.00 0.00 178.15 177.50 2kw6 h HIS 97 N 0.66 0.94 -0.69 1.37 2.76 -1.23 -2.08 115.15 116.87 2kw6 h HIS 97 Ca 0.18 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2kw6 h HIS 97 Cb 0.02 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 2kw6 h HIS 97 CO -0.02 0.89 0.19 0.00 -1.30 0.00 0.00 177.93 177.69 2kw6 h ALA 98 N 1.13 1.02 -0.61 5.26 0.00 -0.53 -1.56 119.26 123.96 2kw6 h ALA 98 Ca 0.13 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kw6 h ALA 98 Cb 0.58 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2kw6 h ALA 98 CO 0.04 0.65 0.39 -0.09 0.00 0.00 0.00 179.25 180.23 2kw6 h ARG 99 N 1.04 0.76 -0.63 0.00 2.43 -1.08 -1.87 114.38 115.03 2kw6 h ARG 99 Ca 0.22 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2kw6 h ARG 99 Cb 0.34 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2kw6 h ARG 99 CO -0.00 0.50 0.41 0.78 -1.51 0.00 0.00 179.97 180.15 2kw6 h GLY 100 N 0.78 0.84 1.18 2.80 0.00 -0.60 0.80 103.07 108.87 2kw6 h GLY 100 Ca 0.24 -0.29 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 2kw6 h GLY 100 CO -0.08 0.25 -0.82 1.41 0.00 0.00 0.00 176.54 177.31 2kw6 h LEU 101 N 0.74 0.95 -1.42 3.11 3.38 -1.12 -3.10 115.31 117.84 2kw6 h LEU 101 Ca 0.25 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2kw6 h LEU 101 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2kw6 h LEU 101 CO -0.07 1.44 -0.17 0.58 0.09 0.00 0.00 178.44 180.32 2kw6 h VAL 102 N 0.53 1.18 -0.92 1.22 2.07 -0.49 0.15 116.25 119.99 2kw6 h VAL 102 Ca -0.06 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.65 2kw6 h VAL 102 Cb 1.45 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 2kw6 h VAL 102 CO 0.17 0.25 0.59 0.03 0.02 0.00 0.00 177.57 178.63 2kw6 h ARG 103 N 0.16 1.21 0.00 1.57 2.47 -0.83 0.41 114.38 119.37 2kw6 h ARG 103 Ca 0.03 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 2kw6 h ARG 103 Cb 0.40 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2kw6 h ARG 103 CO 0.03 0.82 -0.35 0.93 0.56 0.00 0.00 179.97 181.95 2kw6 h GLU 104 N 1.25 0.00 -0.12 0.04 5.08 -1.31 -2.17 114.58 117.35 2kw6 h GLU 104 Ca 0.33 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2kw6 h GLU 104 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2kw6 h GLU 104 CO -0.07 0.35 -0.23 0.00 -1.00 0.00 0.00 179.01 178.06 2kw6 h LEU 106 N -0.05 -0.26 -0.77 0.00 3.38 -0.91 -1.50 115.31 115.20 2kw6 h LEU 106 Ca 0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2kw6 h LEU 106 Cb 0.81 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 2kw6 h LEU 106 CO 0.05 -0.15 0.44 0.00 0.09 0.00 0.00 178.44 178.86 2kw6 h ALA 107 N 0.42 1.07 0.08 1.53 0.00 -1.51 0.30 119.26 121.15 2kw6 h ALA 107 Ca -0.03 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2kw6 h ALA 107 Cb 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kw6 h ALA 107 CO 0.05 0.09 -0.50 1.49 0.00 0.00 0.00 179.25 180.38 2kw6 h GLU 108 N 0.76 0.20 0.00 0.00 4.81 -1.51 -3.26 114.58 115.58 2kw6 h GLU 108 Ca 0.36 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2kw6 h GLU 108 Cb 0.29 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2kw6 h GLU 108 CO -0.22 1.14 -0.14 1.15 -0.73 0.00 0.00 179.01 180.20 2kw6 h THR 109 N -0.58 0.75 0.00 0.32 2.02 -1.22 -1.18 112.91 113.02 2kw6 h THR 109 Ca -0.09 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2kw6 h THR 109 Cb 1.38 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2kw6 h THR 109 CO 0.09 0.14 -0.10 -0.08 0.37 0.00 0.00 175.52 175.94 2kw6 h GLU 110 N 0.00 0.00 0.09 6.66 4.81 -0.97 0.30 114.58 125.46 2kw6 h GLU 110 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 2kw6 h GLU 110 Cb 0.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2kw6 h GLU 110 CO 0.02 0.10 -1.25 0.00 -0.73 0.00 0.00 179.01 177.15 2kw6 h ARG 111 N 0.00 0.18 0.00 1.92 3.08 -1.42 -3.21 114.38 114.93 2kw6 h ARG 111 Ca -0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2kw6 h ARG 111 Cb 0.21 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2kw6 h ARG 111 CO 0.01 1.15 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.98 2kw6 h ASN 112 N -0.48 0.00 -0.63 7.04 -0.73 -0.81 -3.02 115.58 116.94 2kw6 h ASN 112 Ca -0.28 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.60 2kw6 h ASN 112 Cb 1.61 0.00 -0.37 0.00 0.27 0.00 0.00 38.32 39.83 2kw6 h ASN 112 CO 0.01 0.11 -1.07 0.00 -0.37 0.00 0.00 177.43 176.10 2kw6 n ALA 113 N -2.37 2.89 -0.33 1.57 0.00 0.06 -5.01 120.51 117.32 2kw6 n ALA 113 Ca -0.02 -2.75 0.19 0.00 0.00 0.00 0.00 53.44 50.86 2kw6 n ALA 113 Cb 0.20 -0.91 0.37 0.00 0.00 0.00 0.00 19.45 19.11 2kw6 n ALA 113 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kw6 n ARG 114 N -0.42 -0.07 0.00 0.00 1.85 -1.15 -4.87 116.66 112.00 2kw6 n ARG 114 Ca 0.06 1.44 0.15 0.00 -1.00 0.00 0.00 57.85 58.50 2kw6 n ARG 114 Cb 0.82 -2.37 0.79 0.00 -1.05 0.00 0.00 32.46 30.64 2kw6 n ARG 114 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49