#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 0.72 0.19 -5.12 0.00 -1.26 -4.97 107.32 96.88 2kw6 s GLY 52 Ca 0.00 -1.72 -0.32 0.00 0.00 0.00 0.00 44.72 42.68 2kw6 s GLY 52 CO 0.00 3.05 1.74 -2.39 0.00 0.00 0.00 173.10 175.50 2kw6 n HIS 53 N 11.18 2.72 -3.49 1.90 -0.00 -1.26 -4.99 115.22 121.29 2kw6 n HIS 53 Ca 0.31 0.02 -0.31 0.00 -0.00 0.00 0.00 57.72 57.73 2kw6 n HIS 53 Cb 0.49 -2.68 -0.05 0.00 -0.00 0.00 0.00 29.99 27.76 2kw6 n HIS 53 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kw6 s HIS 54 N 1.40 3.45 -0.28 -1.40 4.02 -1.26 -5.09 115.29 116.13 2kw6 s HIS 54 Ca 0.76 0.72 0.01 0.00 1.02 0.00 0.00 55.06 57.58 2kw6 s HIS 54 Cb -0.51 -2.14 0.17 0.00 -1.02 0.00 0.00 32.58 29.08 2kw6 s HIS 54 CO 0.33 0.31 0.46 -3.38 1.02 0.00 0.00 174.74 173.49 2kw6 s HIS 55 N -1.81 -1.21 -0.60 1.40 0.00 -1.26 -5.11 115.29 106.71 2kw6 s HIS 55 Ca 0.45 0.81 -0.27 0.00 -3.00 0.00 0.00 55.06 53.05 2kw6 s HIS 55 Cb -0.11 0.09 -0.00 0.00 -4.00 0.00 0.00 32.58 28.55 2kw6 s HIS 55 CO 0.24 -0.92 1.61 -1.58 -1.00 0.00 0.00 174.74 173.09 2kw6 s HIS 56 N 2.65 1.97 0.06 0.38 5.04 -1.26 -4.97 115.29 119.16 2kw6 s HIS 56 Ca 0.12 0.52 -0.31 0.00 -1.54 0.00 0.00 55.06 53.85 2kw6 s HIS 56 Cb -0.13 -4.28 -0.10 0.00 0.04 0.00 0.00 32.58 28.10 2kw6 s HIS 56 CO -0.24 -2.22 1.89 1.58 -2.34 0.00 0.00 174.74 173.40 2kw6 n HIS 57 N 10.98 2.53 -2.28 3.88 -0.00 -1.26 -4.95 115.22 124.11 2kw6 n HIS 57 Ca 0.15 -0.20 -0.43 0.00 -0.00 0.00 0.00 57.72 57.24 2kw6 n HIS 57 Cb 0.50 -2.74 -0.02 0.00 -0.00 0.00 0.00 29.99 27.73 2kw6 n HIS 57 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kw6 s HIS 58 N 3.49 2.32 0.00 1.57 0.09 -1.26 -5.02 115.29 116.48 2kw6 s HIS 58 Ca 0.86 0.68 0.00 0.00 -0.00 0.00 0.00 55.06 56.60 2kw6 s HIS 58 Cb -0.50 -4.18 0.00 0.00 -0.00 0.00 0.00 32.58 27.90 2kw6 s HIS 58 CO 0.41 -2.19 0.00 -1.13 -0.00 0.00 0.00 174.74 171.83 2kw6 n SER 59 N 8.79 0.00 0.15 1.40 3.41 -1.26 -5.01 113.62 121.11 2kw6 n SER 59 Ca 0.17 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 2kw6 n SER 59 Cb 0.47 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 2kw6 n SER 59 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2kw6 h HIS 60 N -0.66 0.00 -2.06 7.33 -0.00 -2.02 -3.46 115.15 114.28 2kw6 h HIS 60 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.75 2kw6 h HIS 60 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 27.41 27.45 2kw6 h HIS 60 CO 0.00 0.00 0.88 0.43 -0.00 0.00 0.00 177.93 179.24 2kw6 n SER 61 N -2.82 3.02 -0.16 3.26 7.64 -1.26 -4.87 113.62 118.42 2kw6 n SER 61 Ca 0.02 1.04 0.14 0.00 1.01 0.00 0.00 58.87 61.08 2kw6 n SER 61 Cb 0.53 -1.36 0.48 0.00 -1.01 0.00 0.00 64.21 62.86 2kw6 n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kw6 h LYS 62 N 7.13 0.44 -0.12 1.43 1.57 -1.98 -1.88 116.57 123.16 2kw6 h LYS 62 Ca -0.47 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.13 2kw6 h LYS 62 Cb 1.27 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2kw6 h LYS 62 CO 0.90 0.29 -0.58 1.88 -0.57 0.00 0.00 179.45 181.38 2kw6 h TYR 63 N 0.46 0.51 -0.36 -1.35 0.05 -1.93 -0.08 116.97 114.26 2kw6 h TYR 63 Ca 0.36 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 2kw6 h TYR 63 Cb 0.76 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 2kw6 h TYR 63 CO -0.00 0.88 0.12 0.00 -1.05 0.00 0.00 178.16 178.11 2kw6 h ALA 64 N 1.07 0.47 -0.21 3.88 0.00 -1.72 -0.64 119.26 122.12 2kw6 h ALA 64 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2kw6 h ALA 64 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kw6 h ALA 64 CO 0.10 0.10 -0.48 1.49 0.00 0.00 0.00 179.25 180.46 2kw6 h GLU 65 N 0.43 0.56 -0.40 0.00 4.81 -1.46 -2.47 114.58 116.05 2kw6 h GLU 65 Ca 0.12 -0.32 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2kw6 h GLU 65 Cb 0.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2kw6 h GLU 65 CO -0.00 0.92 0.24 1.25 -0.73 0.00 0.00 179.01 180.68 2kw6 h LEU 66 N 0.44 0.40 0.03 1.64 5.85 -0.86 -0.56 115.31 122.25 2kw6 h LEU 66 Ca 0.02 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2kw6 h LEU 66 Cb 1.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2kw6 h LEU 66 CO 0.09 0.29 -0.12 0.25 -0.34 0.00 0.00 178.44 178.60 2kw6 h LEU 67 N 0.49 -0.35 -0.34 2.25 5.85 -1.05 -2.10 115.31 120.06 2kw6 h LEU 67 Ca 0.15 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2kw6 h LEU 67 Cb -0.01 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2kw6 h LEU 67 CO -0.06 -0.18 0.15 0.00 -0.34 0.00 0.00 178.44 178.01 2kw6 h ALA 68 N 0.71 0.41 -0.29 1.25 0.00 -1.09 -2.04 119.26 118.20 2kw6 h ALA 68 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kw6 h ALA 68 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kw6 h ALA 68 CO -0.10 -0.23 0.18 0.82 0.00 0.00 0.00 179.25 179.93 2kw6 h ILE 69 N 0.32 1.10 0.74 0.00 2.04 -1.04 -2.89 117.51 117.78 2kw6 h ILE 69 Ca 0.15 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2kw6 h ILE 69 Cb 0.08 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2kw6 h ILE 69 CO -0.12 0.09 -0.35 0.40 0.00 0.00 0.00 178.15 178.17 2kw6 h ILE 70 N 0.38 0.24 0.00 -0.67 2.04 -1.07 -3.23 117.51 115.20 2kw6 h ILE 70 Ca 0.11 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2kw6 h ILE 70 Cb -0.01 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2kw6 h ILE 70 CO -0.02 0.01 -0.08 1.05 0.00 0.00 0.00 178.15 179.10 2kw6 h GLU 71 N -1.05 0.00 0.00 2.37 4.11 -1.39 -2.16 114.58 116.46 2kw6 h GLU 71 Ca -0.10 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 2kw6 h GLU 71 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2kw6 h GLU 71 CO 0.17 0.08 -0.80 1.05 0.07 0.00 0.00 179.01 179.58 2kw6 h GLU 72 N 0.00 0.00 0.00 1.06 4.11 -1.54 -3.15 114.58 115.06 2kw6 h GLU 72 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2kw6 h GLU 72 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2kw6 h GLU 72 CO 0.01 0.80 -0.09 -0.07 0.07 0.00 0.00 179.01 179.73 2kw6 h LEU 73 N 0.00 0.00 -0.88 3.06 3.38 -1.40 -2.49 115.31 116.97 2kw6 h LEU 73 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2kw6 h LEU 73 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2kw6 h LEU 73 CO 0.10 0.09 -0.28 1.23 0.09 0.00 0.00 178.44 179.67 2kw6 h GLY 74 N 1.55 0.54 1.04 0.83 0.00 -1.61 -2.60 103.07 102.83 2kw6 h GLY 74 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2kw6 h GLY 74 CO 0.01 0.42 0.35 0.50 0.00 0.00 0.00 176.54 177.82 2kw6 h LYS 75 N 0.43 1.20 0.00 4.80 1.79 -1.58 -3.17 116.57 120.04 2kw6 h LYS 75 Ca 0.06 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2kw6 h LYS 75 Cb 0.72 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2kw6 h LYS 75 CO 0.06 0.95 0.00 0.39 -1.08 0.00 0.00 179.45 179.76 2kw6 n GLU 76 N -4.30 0.06 -0.11 3.15 -0.58 -1.00 -3.47 120.64 114.39 2kw6 n GLU 76 Ca 0.08 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.83 2kw6 n GLU 76 Cb 0.17 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 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 1.21 0.38 -3.67 2.04 -1.49 -1.75 117.51 114.23 2kw6 h ILE 77 Ca 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2kw6 h ILE 77 Cb 0.49 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2kw6 h ILE 77 CO 0.00 0.23 -0.27 0.03 0.00 0.00 0.00 178.15 178.14 2kw6 h ARG 78 N 0.40 -0.62 -0.14 2.37 3.08 -1.76 -1.20 114.38 116.52 2kw6 h ARG 78 Ca 0.11 0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 2kw6 h ARG 78 Cb 0.26 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2kw6 h ARG 78 CO -0.00 -0.41 -0.31 -1.00 -1.07 0.00 0.00 179.97 177.17 2kw6 h PRO 79 N -0.64 0.27 -0.31 0.04 0.13 -1.76 -1.93 132.00 127.79 2kw6 h PRO 79 Ca -0.03 -0.10 0.06 0.00 -0.87 0.00 0.00 66.00 65.05 2kw6 h PRO 79 Cb 0.55 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 2kw6 h PRO 79 CO 0.01 0.56 -0.00 1.15 -0.23 0.00 0.00 178.00 179.49 2kw6 h THR 80 N 0.24 0.77 -0.03 1.56 2.02 -1.09 -0.11 112.91 116.26 2kw6 h THR 80 Ca 0.03 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 2kw6 h THR 80 Cb 0.68 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2kw6 h THR 80 CO 0.05 0.02 -0.29 0.22 0.37 0.00 0.00 175.52 175.89 2kw6 h TYR 81 N 0.09 0.06 -0.07 3.16 3.20 -1.18 -2.43 116.97 119.80 2kw6 h TYR 81 Ca 0.15 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2kw6 h TYR 81 Cb 0.21 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2kw6 h TYR 81 CO -0.23 0.34 0.00 0.00 -1.64 0.00 0.00 178.16 176.63 2kw6 n ALA 82 N -2.48 2.49 -1.12 1.82 0.00 -0.55 -4.88 120.51 115.79 2kw6 n ALA 82 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kw6 n ALA 82 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.59 0.68 3.57 0.00 0.00 -0.79 -5.01 105.19 104.24 2kw6 n GLY 83 Ca 0.02 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.74 6.53 0.57 1.61 0.01 -0.16 -4.91 113.70 114.60 2kw6 s SER 84 Ca 0.00 0.24 0.35 0.00 1.31 0.00 0.00 55.95 57.85 2kw6 s SER 84 Cb 0.00 -2.42 1.54 0.00 0.21 0.00 0.00 66.02 65.35 2kw6 s SER 84 CO 0.00 -0.86 2.05 0.50 0.41 0.00 0.00 173.24 175.34 2kw6 h LYS 85 N 8.71 0.00 0.39 12.44 3.64 -1.91 -2.98 116.57 136.86 2kw6 h LYS 85 Ca -0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 2kw6 h LYS 85 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2kw6 h LYS 85 CO 0.96 0.01 -0.19 0.66 -2.27 0.00 0.00 179.45 178.62 2kw6 h SER 86 N 0.00 -0.44 -0.17 4.20 4.64 -1.96 -3.28 113.55 116.53 2kw6 h SER 86 Ca -0.00 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 2kw6 h SER 86 Cb 0.43 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2kw6 h SER 86 CO 0.00 -0.06 -0.14 0.00 -0.87 0.00 0.00 176.83 175.76 2kw6 h ALA 87 N -0.51 1.16 -0.37 5.18 0.00 -1.86 -1.98 119.26 120.87 2kw6 h ALA 87 Ca -0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2kw6 h ALA 87 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kw6 h ALA 87 CO 0.09 0.53 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 2kw6 h MET 88 N 0.51 0.65 0.00 0.00 3.00 -1.67 -0.55 114.93 116.87 2kw6 h MET 88 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 59.70 59.49 2kw6 h MET 88 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 31.60 32.07 2kw6 h MET 88 CO 0.03 0.74 -0.64 0.93 0.00 0.00 0.00 176.91 177.98 2kw6 h GLU 89 N 0.59 0.00 -0.39 -0.10 5.08 -1.54 -0.22 114.58 118.00 2kw6 h GLU 89 Ca 0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2kw6 h GLU 89 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2kw6 h GLU 89 CO 0.03 0.42 -0.13 0.00 -1.00 0.00 0.00 179.01 178.33 2kw6 h ARG 90 N 0.00 0.79 -0.80 2.33 3.08 -1.19 -1.80 114.38 116.79 2kw6 h ARG 90 Ca -0.03 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 2kw6 h ARG 90 Cb 1.38 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.36 2kw6 h ARG 90 CO 0.06 0.94 0.50 1.25 -1.07 0.00 0.00 179.97 181.64 2kw6 h LEU 91 N 0.60 0.96 0.60 3.04 5.85 -1.04 -1.79 115.31 123.52 2kw6 h LEU 91 Ca 0.10 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2kw6 h LEU 91 Cb 0.67 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kw6 h LEU 91 CO 0.05 0.73 -0.29 0.50 -0.34 0.00 0.00 178.44 179.09 2kw6 h LYS 92 N 1.10 -0.77 -0.98 1.25 3.64 -0.99 -2.52 116.57 117.31 2kw6 h LYS 92 Ca 0.29 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.77 2kw6 h LYS 92 Cb -0.06 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2kw6 h LYS 92 CO -0.06 -0.51 0.64 0.00 -2.27 0.00 0.00 179.45 177.25 2kw6 h ARG 93 N -0.92 1.18 0.39 1.90 3.08 -1.34 -1.52 114.38 117.14 2kw6 h ARG 93 Ca -0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2kw6 h ARG 93 Cb 0.61 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2kw6 h ARG 93 CO 0.13 0.78 -0.19 0.78 -1.07 0.00 0.00 179.97 180.41 2kw6 h GLY 94 N 1.21 -0.54 1.30 0.04 0.00 -1.41 -1.88 103.07 101.79 2kw6 h GLY 94 Ca 0.39 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.89 2kw6 h GLY 94 CO -0.13 -0.20 0.23 -2.22 0.00 0.00 0.00 176.54 174.22 2kw6 h ILE 95 N -0.54 1.22 0.21 2.60 2.04 -0.96 0.10 117.51 122.19 2kw6 h ILE 95 Ca -0.05 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2kw6 h ILE 95 Cb 0.41 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2kw6 h ILE 95 CO 0.09 0.28 -0.12 0.40 0.00 0.00 0.00 178.15 178.80 2kw6 h ILE 96 N 0.88 0.76 -0.56 -0.67 2.04 -1.28 -1.35 117.51 117.34 2kw6 h ILE 96 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2kw6 h ILE 96 Cb 0.19 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2kw6 h ILE 96 CO -0.02 0.00 0.30 0.45 0.00 0.00 0.00 178.15 178.89 2kw6 h HIS 97 N -0.31 0.77 -0.67 1.37 3.86 -0.98 -1.90 115.15 117.30 2kw6 h HIS 97 Ca -0.03 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2kw6 h HIS 97 Cb 0.25 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 2kw6 h HIS 97 CO -0.07 0.57 0.42 0.00 0.86 0.00 0.00 177.93 179.70 2kw6 h ALA 98 N 1.13 0.85 -0.60 2.45 0.00 -0.74 -0.49 119.26 121.86 2kw6 h ALA 98 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2kw6 h ALA 98 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2kw6 h ALA 98 CO -0.03 0.30 0.12 -0.09 0.00 0.00 0.00 179.25 179.55 2kw6 h ARG 99 N 0.90 0.96 -0.32 0.00 2.43 -1.15 -1.17 114.38 116.03 2kw6 h ARG 99 Ca 0.24 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2kw6 h ARG 99 Cb -0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2kw6 h ARG 99 CO -0.05 0.87 -0.04 0.78 -1.51 0.00 0.00 179.97 180.02 2kw6 h GLY 100 N 1.03 0.55 1.63 2.80 0.00 -0.60 -1.81 103.07 106.66 2kw6 h GLY 100 Ca 0.19 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 2kw6 h GLY 100 CO 0.00 0.31 -1.06 1.41 0.00 0.00 0.00 176.54 177.21 2kw6 h LEU 101 N 0.48 0.43 -0.99 3.11 3.38 -0.56 -2.85 115.31 118.31 2kw6 h LEU 101 Ca 0.10 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2kw6 h LEU 101 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2kw6 h LEU 101 CO 0.02 1.24 -0.21 0.58 0.09 0.00 0.00 178.44 180.15 2kw6 h VAL 102 N 0.14 1.25 -0.81 1.22 2.07 -1.05 0.41 116.25 119.49 2kw6 h VAL 102 Ca -0.10 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2kw6 h VAL 102 Cb 1.73 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 2kw6 h VAL 102 CO 0.18 0.38 0.47 0.03 0.02 0.00 0.00 177.57 178.64 2kw6 h ARG 103 N 0.43 1.11 -0.02 1.57 3.08 -1.30 -0.22 114.38 119.03 2kw6 h ARG 103 Ca 0.07 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2kw6 h ARG 103 Cb 0.61 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2kw6 h ARG 103 CO 0.04 0.79 -0.68 0.93 -1.07 0.00 0.00 179.97 179.99 2kw6 h GLU 104 N 1.12 0.07 -0.27 0.04 4.39 -1.17 -1.95 114.58 116.82 2kw6 h GLU 104 Ca 0.29 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 2kw6 h GLU 104 Cb -0.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kw6 h GLU 104 CO -0.05 0.72 -0.08 0.00 -1.16 0.00 0.00 179.01 178.43 2kw6 h LEU 106 N 0.28 -0.25 -2.03 0.00 3.38 -1.05 -1.09 115.31 114.56 2kw6 h LEU 106 Ca 0.07 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kw6 h LEU 106 Cb 0.57 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kw6 h LEU 106 CO 0.03 -0.04 0.06 0.00 0.09 0.00 0.00 178.44 178.58 2kw6 h ALA 107 N 0.30 2.04 0.01 1.53 0.00 -1.39 0.30 119.26 122.06 2kw6 h ALA 107 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kw6 h ALA 107 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kw6 h ALA 107 CO 0.05 -0.09 -0.01 1.49 0.00 0.00 0.00 179.25 180.69 2kw6 h GLU 108 N 0.00 -0.01 0.00 0.00 4.81 -1.03 -3.22 114.58 115.12 2kw6 h GLU 108 Ca 0.04 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2kw6 h GLU 108 Cb 0.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kw6 h GLU 108 CO -0.00 0.56 -0.43 1.15 -0.73 0.00 0.00 179.01 179.56 2kw6 h THR 109 N -0.60 1.29 0.01 0.32 2.02 -0.55 -3.09 112.91 112.32 2kw6 h THR 109 Ca -0.00 -1.48 -0.21 0.00 0.77 0.00 0.00 66.41 65.49 2kw6 h THR 109 Cb 0.58 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2kw6 h THR 109 CO 0.00 0.42 -1.00 1.05 0.37 0.00 0.00 175.52 176.37 2kw6 h GLU 110 N 0.00 0.04 0.00 6.66 4.11 -0.53 -0.88 114.58 123.98 2kw6 h GLU 110 Ca -0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 2kw6 h GLU 110 Cb 0.77 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2kw6 h GLU 110 CO 0.06 1.00 -0.48 0.00 0.07 0.00 0.00 179.01 179.65 2kw6 h ARG 111 N 0.01 0.00 0.00 1.06 3.08 -1.56 -3.36 114.38 113.62 2kw6 h ARG 111 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2kw6 h ARG 111 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.79 2kw6 h ARG 111 CO 0.14 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 179.61 2kw6 n ASN 112 N -3.39 0.00 -4.28 7.04 3.02 -1.11 -4.89 115.26 111.64 2kw6 n ASN 112 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 2kw6 n ASN 112 Cb 0.64 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.69 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kw6 s ALA 113 N -4.13 3.17 -1.09 5.41 0.00 -0.35 -5.03 121.76 119.73 2kw6 s ALA 113 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 49.86 2kw6 s ALA 113 Cb 0.00 -2.45 0.13 0.00 0.00 0.00 0.00 23.12 20.80 2kw6 s ALA 113 CO 0.00 -1.48 1.36 0.50 0.00 0.00 0.00 175.76 176.14 2kw6 s ARG 114 N 1.41 3.83 0.00 0.00 3.52 -1.26 -4.45 118.95 122.01 2kw6 s ARG 114 Ca 0.01 -2.02 0.27 0.00 -0.13 0.00 0.00 55.73 53.86 2kw6 s ARG 114 Cb -0.21 -5.10 0.88 0.00 -1.56 0.00 0.00 34.95 28.96 2kw6 s ARG 114 CO 0.03 -1.88 1.65 -1.13 -0.81 0.00 0.00 175.30 173.15