#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 0.50 2.83 3.17 0.00 -1.26 -5.04 105.19 105.41 2kw6 n GLY 52 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 2kw6 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kw6 s HIS 53 N -0.54 1.63 -0.06 1.61 0.09 -1.26 -5.11 115.29 111.65 2kw6 s HIS 53 Ca 0.00 -1.21 -0.30 0.00 -0.00 0.00 0.00 55.06 53.55 2kw6 s HIS 53 Cb 0.00 -1.27 -0.08 0.00 -0.00 0.00 0.00 32.58 31.23 2kw6 s HIS 53 CO 0.00 -0.67 2.06 1.58 -0.00 0.00 0.00 174.74 177.71 2kw6 n HIS 54 N 4.89 2.31 -2.09 1.40 -0.00 -1.26 -4.93 115.22 115.54 2kw6 n HIS 54 Ca -0.10 -0.26 -0.43 0.00 -0.00 0.00 0.00 57.72 56.92 2kw6 n HIS 54 Cb 0.46 -2.77 -0.03 0.00 -0.00 0.00 0.00 29.99 27.66 2kw6 n HIS 54 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kw6 s HIS 55 N 5.75 2.09 -0.06 1.57 0.00 -1.26 -5.00 115.29 118.38 2kw6 s HIS 55 Ca 0.94 0.45 -0.16 0.00 -3.00 0.00 0.00 55.06 53.28 2kw6 s HIS 55 Cb -0.43 -3.92 -0.05 0.00 -4.00 0.00 0.00 32.58 24.18 2kw6 s HIS 55 CO 0.41 -3.21 0.43 -3.38 -1.00 0.00 0.00 174.74 167.99 2kw6 s HIS 56 N 4.71 3.62 0.33 0.38 -0.00 -1.26 -5.07 115.29 118.01 2kw6 s HIS 56 Ca 0.72 0.92 -0.07 0.00 -0.00 0.00 0.00 55.06 56.62 2kw6 s HIS 56 Cb -0.28 -2.40 0.03 0.00 -0.00 0.00 0.00 32.58 29.93 2kw6 s HIS 56 CO 0.28 0.42 0.57 -2.39 -0.00 0.00 0.00 174.74 173.62 2kw6 n HIS 57 N 2.71 -1.78 -2.37 0.38 1.44 -1.26 -5.09 115.22 109.25 2kw6 n HIS 57 Ca -0.11 -1.90 -0.37 0.00 -2.01 0.00 0.00 57.72 53.33 2kw6 n HIS 57 Cb 0.52 0.66 -0.04 0.00 0.12 0.00 0.00 29.99 31.25 2kw6 n HIS 57 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kw6 s HIS 58 N -3.03 2.21 -0.33 -1.40 0.09 -1.26 -4.97 115.29 106.59 2kw6 s HIS 58 Ca 0.20 -0.16 -0.27 0.00 -0.00 0.00 0.00 55.06 54.83 2kw6 s HIS 58 Cb -0.03 -4.45 0.01 0.00 -0.00 0.00 0.00 32.58 28.11 2kw6 s HIS 58 CO 0.15 -1.95 0.97 -1.12 -0.00 0.00 0.00 174.74 172.80 2kw6 s SER 59 N 5.90 6.80 0.15 1.40 0.01 -1.26 -4.96 113.70 121.73 2kw6 s SER 59 Ca 0.53 0.83 -0.17 0.00 1.31 0.00 0.00 55.95 58.45 2kw6 s SER 59 Cb -0.04 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2kw6 s SER 59 CO -0.01 -0.82 1.81 -0.74 0.41 0.00 0.00 173.24 173.89 2kw6 h HIS 60 N 8.22 0.47 -2.62 2.43 -0.00 -2.01 -3.39 115.15 118.24 2kw6 h HIS 60 Ca -0.22 0.01 -0.55 0.00 -0.00 0.00 0.00 60.37 59.61 2kw6 h HIS 60 Cb 1.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 2kw6 h HIS 60 CO 0.82 0.29 1.09 -1.12 -0.00 0.00 0.00 177.93 179.02 2kw6 s SER 61 N -5.53 6.62 0.38 3.26 0.01 -1.26 -4.90 113.70 112.28 2kw6 s SER 61 Ca -0.13 2.15 0.10 0.00 1.31 0.00 0.00 55.95 59.38 2kw6 s SER 61 Cb 0.11 -2.53 0.76 0.00 0.21 0.00 0.00 66.02 64.56 2kw6 s SER 61 CO 0.72 -0.97 1.88 0.50 0.41 0.00 0.00 173.24 175.78 2kw6 h LYS 62 N 9.73 0.17 -0.01 12.44 1.63 -2.02 -1.76 116.57 136.74 2kw6 h LYS 62 Ca -0.38 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.31 2kw6 h LYS 62 Cb 1.17 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 2kw6 h LYS 62 CO 0.96 0.38 -0.29 1.88 -3.45 0.00 0.00 179.45 178.94 2kw6 h TYR 63 N 0.16 0.03 -0.27 1.91 0.05 -1.93 -1.88 116.97 115.04 2kw6 h TYR 63 Ca 0.03 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 2kw6 h TYR 63 Cb 0.47 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 2kw6 h TYR 63 CO 0.01 0.31 -0.14 0.00 -1.05 0.00 0.00 178.16 177.29 2kw6 h ALA 64 N 1.69 1.26 -0.03 3.88 0.00 -1.67 0.73 119.26 125.12 2kw6 h ALA 64 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2kw6 h ALA 64 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kw6 h ALA 64 CO 0.04 0.49 -0.88 1.49 0.00 0.00 0.00 179.25 180.38 2kw6 h GLU 65 N 0.43 0.47 -0.69 0.00 4.81 -1.49 -2.45 114.58 115.66 2kw6 h GLU 65 Ca 0.08 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2kw6 h GLU 65 Cb 0.50 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2kw6 h GLU 65 CO 0.03 1.11 0.30 1.25 -0.73 0.00 0.00 179.01 180.97 2kw6 h LEU 66 N 0.29 0.91 -0.35 1.64 5.85 -0.94 -1.37 115.31 121.34 2kw6 h LEU 66 Ca -0.07 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2kw6 h LEU 66 Cb 1.51 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2kw6 h LEU 66 CO 0.16 0.80 -0.10 0.25 -0.34 0.00 0.00 178.44 179.20 2kw6 h LEU 67 N 0.99 0.69 -1.61 2.25 5.85 -0.86 -2.59 115.31 120.02 2kw6 h LEU 67 Ca 0.24 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kw6 h LEU 67 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2kw6 h LEU 67 CO -0.03 0.91 0.21 0.00 -0.34 0.00 0.00 178.44 179.20 2kw6 h ALA 68 N 0.81 1.71 0.37 1.25 0.00 -0.96 -1.34 119.26 121.10 2kw6 h ALA 68 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kw6 h ALA 68 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kw6 h ALA 68 CO 0.04 0.25 -0.18 0.82 0.00 0.00 0.00 179.25 180.18 2kw6 h ILE 69 N 0.48 0.54 -0.72 0.00 2.04 -1.19 -3.22 117.51 115.44 2kw6 h ILE 69 Ca 0.13 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2kw6 h ILE 69 Cb -0.02 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2kw6 h ILE 69 CO -0.02 0.10 0.30 0.40 0.00 0.00 0.00 178.15 178.92 2kw6 h ILE 70 N -0.88 1.24 0.00 -0.67 2.04 -1.08 -1.06 117.51 117.10 2kw6 h ILE 70 Ca -0.05 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2kw6 h ILE 70 Cb 0.54 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2kw6 h ILE 70 CO 0.08 0.30 -0.07 1.05 0.00 0.00 0.00 178.15 179.51 2kw6 h GLU 71 N 1.02 0.00 0.09 2.37 4.11 -1.41 -2.53 114.58 118.23 2kw6 h GLU 71 Ca 0.24 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.53 2kw6 h GLU 71 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kw6 h GLU 71 CO -0.02 0.07 -0.63 1.49 0.07 0.00 0.00 179.01 179.99 2kw6 h GLU 72 N 0.00 0.19 -0.87 1.06 4.81 -1.25 -3.31 114.58 115.21 2kw6 h GLU 72 Ca -0.00 -0.33 0.21 0.00 -0.13 0.00 0.00 59.36 59.11 2kw6 h GLU 72 Cb 0.29 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 2kw6 h GLU 72 CO 0.01 1.16 0.59 -0.07 -0.73 0.00 0.00 179.01 179.97 2kw6 h LEU 73 N -0.58 0.30 -0.61 1.64 3.38 -0.96 -0.84 115.31 117.65 2kw6 h LEU 73 Ca -0.12 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 2kw6 h LEU 73 Cb 1.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2kw6 h LEU 73 CO 0.09 0.12 -0.34 1.23 0.09 0.00 0.00 178.44 179.63 2kw6 h GLY 74 N 0.30 0.80 0.98 0.83 0.00 -1.58 -3.06 103.07 101.33 2kw6 h GLY 74 Ca 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2kw6 h GLY 74 CO -0.13 0.69 0.04 0.50 0.00 0.00 0.00 176.54 177.64 2kw6 h LYS 75 N 0.61 0.09 -0.02 4.80 1.79 -1.25 -3.15 116.57 119.45 2kw6 h LYS 75 Ca 0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kw6 h LYS 75 Cb 0.87 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2kw6 h LYS 75 CO 0.08 0.08 0.00 0.39 -1.08 0.00 0.00 179.45 178.91 2kw6 n GLU 76 N -5.03 1.09 0.10 3.15 -0.58 -1.04 -3.63 120.64 114.70 2kw6 n GLU 76 Ca -0.06 -0.13 -0.13 0.00 -0.42 0.00 0.00 57.16 56.42 2kw6 n GLU 76 Cb 0.04 -1.27 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.26 0.93 0.28 -3.67 2.04 -1.49 -2.60 117.51 113.26 2kw6 h ILE 77 Ca 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2kw6 h ILE 77 Cb 0.06 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2kw6 h ILE 77 CO 0.00 0.08 -0.13 0.03 0.00 0.00 0.00 178.15 178.12 2kw6 h ARG 78 N -0.36 -0.36 -0.86 2.37 -0.00 -1.79 -0.04 114.38 113.33 2kw6 h ARG 78 Ca -0.02 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 2kw6 h ARG 78 Cb 0.29 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.30 2kw6 h ARG 78 CO 0.03 -0.20 0.44 -1.00 0.00 0.00 0.00 179.97 179.24 2kw6 h PRO 79 N -0.43 1.23 -0.53 0.04 0.13 -1.79 -0.20 132.00 130.45 2kw6 h PRO 79 Ca -0.04 -0.17 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2kw6 h PRO 79 Cb 0.32 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.17 2kw6 h PRO 79 CO 0.06 0.93 0.23 1.15 -0.23 0.00 0.00 178.00 180.14 2kw6 h THR 80 N 1.22 0.88 0.00 1.56 2.02 -1.30 -0.39 112.91 116.90 2kw6 h THR 80 Ca 0.30 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 2kw6 h THR 80 Cb 0.09 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2kw6 h THR 80 CO -0.04 0.08 -0.26 0.22 0.37 0.00 0.00 175.52 175.89 2kw6 h TYR 81 N 0.44 0.00 -0.11 3.16 3.20 -0.76 -1.99 116.97 120.92 2kw6 h TYR 81 Ca 0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2kw6 h TYR 81 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2kw6 h TYR 81 CO -0.13 0.26 0.00 0.00 -1.64 0.00 0.00 178.16 176.64 2kw6 n ALA 82 N -2.32 2.53 -2.27 1.82 0.00 -0.11 -4.90 120.51 115.26 2kw6 n ALA 82 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.14 2kw6 n ALA 82 Cb 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.85 0.61 3.54 0.00 0.00 -0.75 -5.03 105.19 104.41 2kw6 n GLY 83 Ca 0.11 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.99 5.96 0.33 1.61 0.01 -0.26 -4.98 113.70 113.38 2kw6 s SER 84 Ca 0.01 -0.29 0.14 0.00 1.31 0.00 0.00 55.95 57.12 2kw6 s SER 84 Cb -0.00 -2.11 0.57 0.00 0.21 0.00 0.00 66.02 64.69 2kw6 s SER 84 CO 0.01 -0.16 1.72 0.50 0.41 0.00 0.00 173.24 175.72 2kw6 h LYS 85 N 8.43 0.00 -0.60 12.44 3.64 -1.92 -3.04 116.57 135.51 2kw6 h LYS 85 Ca -0.33 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.96 2kw6 h LYS 85 Cb 1.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2kw6 h LYS 85 CO 0.60 0.47 0.01 0.77 -2.27 0.00 0.00 179.45 179.04 2kw6 h SER 86 N 0.00 1.02 -0.16 4.20 0.02 -1.96 -2.39 113.55 114.28 2kw6 h SER 86 Ca -0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 2kw6 h SER 86 Cb 0.90 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2kw6 h SER 86 CO 0.06 1.07 -0.14 0.00 -1.14 0.00 0.00 176.83 176.68 2kw6 h ALA 87 N 1.04 0.23 0.00 3.77 0.00 -1.89 -2.81 119.26 119.61 2kw6 h ALA 87 Ca 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2kw6 h ALA 87 Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kw6 h ALA 87 CO 0.03 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.24 2kw6 h MET 88 N 0.03 0.00 -0.23 0.00 -0.00 -1.48 0.35 114.93 113.60 2kw6 h MET 88 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.65 2kw6 h MET 88 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.25 2kw6 h MET 88 CO 0.04 0.15 -0.18 0.93 -0.00 0.00 0.00 176.91 177.84 2kw6 h GLU 89 N 0.00 0.53 -0.56 -0.10 5.08 -1.35 -0.80 114.58 117.38 2kw6 h GLU 89 Ca -0.00 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 2kw6 h GLU 89 Cb 0.41 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2kw6 h GLU 89 CO 0.02 0.83 0.02 0.00 -1.00 0.00 0.00 179.01 178.88 2kw6 h ARG 90 N 0.23 0.98 0.09 2.33 3.08 -1.16 -0.91 114.38 119.02 2kw6 h ARG 90 Ca 0.04 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2kw6 h ARG 90 Cb 0.71 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2kw6 h ARG 90 CO 0.05 0.97 -0.05 1.25 -1.07 0.00 0.00 179.97 181.12 2kw6 h LEU 91 N 0.87 -0.11 -0.35 3.04 5.85 -0.98 -1.52 115.31 122.10 2kw6 h LEU 91 Ca 0.16 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2kw6 h LEU 91 Cb 0.52 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2kw6 h LEU 91 CO 0.03 -0.00 -0.16 0.50 -0.34 0.00 0.00 178.44 178.46 2kw6 h LYS 92 N -0.20 0.73 -0.34 1.25 3.64 -1.13 -1.74 116.57 118.78 2kw6 h LYS 92 Ca -0.01 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2kw6 h LYS 92 Cb 0.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2kw6 h LYS 92 CO 0.02 0.92 0.14 -0.09 -2.27 0.00 0.00 179.45 178.17 2kw6 h ARG 93 N 0.52 0.50 -0.50 1.90 2.43 -1.16 -0.54 114.38 117.53 2kw6 h ARG 93 Ca 0.08 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2kw6 h ARG 93 Cb 0.69 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2kw6 h ARG 93 CO 0.05 0.49 -0.12 0.78 -1.51 0.00 0.00 179.97 179.67 2kw6 h GLY 94 N 0.40 1.01 1.25 2.80 0.00 -1.27 -0.98 103.07 106.28 2kw6 h GLY 94 Ca 0.11 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.58 2kw6 h GLY 94 CO -0.01 0.73 0.12 -2.22 0.00 0.00 0.00 176.54 175.16 2kw6 h ILE 95 N 0.83 1.24 -0.30 2.60 2.04 -1.05 0.22 117.51 123.10 2kw6 h ILE 95 Ca 0.13 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2kw6 h ILE 95 Cb 0.65 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2kw6 h ILE 95 CO 0.05 0.34 0.13 0.40 0.00 0.00 0.00 178.15 179.07 2kw6 h ILE 96 N 0.89 1.16 -0.48 -0.67 2.04 -0.89 -2.33 117.51 117.23 2kw6 h ILE 96 Ca 0.19 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 2kw6 h ILE 96 Cb 0.36 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2kw6 h ILE 96 CO 0.00 0.17 -0.08 0.45 0.00 0.00 0.00 178.15 178.69 2kw6 h HIS 97 N 0.34 0.94 -0.56 1.37 3.86 -0.83 -1.04 115.15 119.23 2kw6 h HIS 97 Ca 0.10 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 2kw6 h HIS 97 Cb 0.15 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2kw6 h HIS 97 CO -0.01 0.90 -0.09 0.00 0.86 0.00 0.00 177.93 179.59 2kw6 h ALA 98 N 1.12 0.77 -0.89 2.45 0.00 -0.56 -0.71 119.26 121.44 2kw6 h ALA 98 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kw6 h ALA 98 Cb 0.58 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2kw6 h ALA 98 CO 0.04 0.67 0.51 -0.09 0.00 0.00 0.00 179.25 180.38 2kw6 h ARG 99 N 0.94 1.23 -0.46 0.00 1.12 -1.26 -1.81 114.38 114.13 2kw6 h ARG 99 Ca 0.15 -0.13 -0.02 0.00 -1.11 0.00 0.00 59.98 58.87 2kw6 h ARG 99 Cb 0.66 -0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2kw6 h ARG 99 CO 0.05 0.88 0.20 0.78 -3.11 0.00 0.00 179.97 178.77 2kw6 h GLY 100 N 1.23 0.73 1.11 2.80 0.00 -0.64 -1.55 103.07 106.74 2kw6 h GLY 100 Ca 0.32 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 2kw6 h GLY 100 CO -0.05 0.36 -0.07 1.41 0.00 0.00 0.00 176.54 178.19 2kw6 h LEU 101 N 0.60 1.04 -0.54 3.11 3.38 -0.96 -2.51 115.31 119.43 2kw6 h LEU 101 Ca 0.16 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 2kw6 h LEU 101 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kw6 h LEU 101 CO -0.02 1.12 -0.65 0.58 0.09 0.00 0.00 178.44 179.56 2kw6 h VAL 102 N 0.94 1.39 -0.09 1.22 2.07 -1.25 -1.37 116.25 119.15 2kw6 h VAL 102 Ca 0.15 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 2kw6 h VAL 102 Cb 0.63 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2kw6 h VAL 102 CO 0.04 0.61 -0.04 0.03 0.02 0.00 0.00 177.57 178.23 2kw6 h ARG 103 N 0.23 0.19 -0.03 1.57 3.08 -1.19 0.16 114.38 118.38 2kw6 h ARG 103 Ca -0.01 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2kw6 h ARG 103 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2kw6 h ARG 103 CO 0.11 0.54 -0.38 1.05 -1.07 0.00 0.00 179.97 180.22 2kw6 h GLU 104 N -0.16 0.07 -0.27 0.04 4.11 -1.51 -1.08 114.58 115.78 2kw6 h GLU 104 Ca 0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2kw6 h GLU 104 Cb 0.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kw6 h GLU 104 CO 0.01 0.44 -0.02 0.00 0.07 0.00 0.00 179.01 179.51 2kw6 h LEU 106 N 0.26 0.87 -0.77 0.00 3.38 -0.68 -0.16 115.31 118.21 2kw6 h LEU 106 Ca 0.07 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.91 2kw6 h LEU 106 Cb 0.46 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2kw6 h LEU 106 CO 0.02 0.86 0.43 0.00 0.09 0.00 0.00 178.44 179.84 2kw6 h ALA 107 N 1.04 1.08 0.06 1.53 0.00 -1.21 -0.03 119.26 121.73 2kw6 h ALA 107 Ca 0.19 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2kw6 h ALA 107 Cb 0.31 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kw6 h ALA 107 CO -0.00 0.07 -0.45 1.49 0.00 0.00 0.00 179.25 180.35 2kw6 h GLU 108 N 0.74 0.20 0.00 0.00 4.81 -1.24 -3.13 114.58 115.96 2kw6 h GLU 108 Ca 0.37 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2kw6 h GLU 108 Cb 0.32 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kw6 h GLU 108 CO -0.24 1.09 -0.23 1.15 -0.73 0.00 0.00 179.01 180.06 2kw6 h THR 109 N -0.54 0.73 0.14 0.32 2.02 -0.92 -0.08 112.91 114.58 2kw6 h THR 109 Ca -0.07 -0.95 -0.29 0.00 0.77 0.00 0.00 66.41 65.87 2kw6 h THR 109 Cb 1.30 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2kw6 h THR 109 CO 0.09 0.22 -1.33 -0.08 0.37 0.00 0.00 175.52 174.78 2kw6 h GLU 110 N 0.00 0.30 -0.03 6.66 4.81 -1.11 -1.47 114.58 123.75 2kw6 h GLU 110 Ca -0.00 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.59 2kw6 h GLU 110 Cb 0.57 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2kw6 h GLU 110 CO 0.03 1.23 -0.54 0.00 -0.73 0.00 0.00 179.01 179.00 2kw6 h ARG 111 N 0.08 0.08 0.00 1.92 3.08 -1.43 -2.57 114.38 115.54 2kw6 h ARG 111 Ca -0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2kw6 h ARG 111 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.06 2kw6 h ARG 111 CO 0.21 0.59 0.00 -0.97 -1.07 0.00 0.00 179.97 178.73 2kw6 h ASN 112 N 0.06 0.00 -4.81 7.04 -1.24 -0.98 -3.44 115.58 112.20 2kw6 h ASN 112 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.74 2kw6 h ASN 112 Cb 0.97 0.00 0.04 0.00 0.73 0.00 0.00 38.32 40.05 2kw6 h ASN 112 CO 0.07 0.00 0.03 0.00 -1.29 0.00 0.00 177.43 176.25 2kw6 n ALA 113 N -1.98 0.28 0.00 1.57 0.00 -0.56 -5.06 120.51 114.77 2kw6 n ALA 113 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2kw6 n ALA 113 Cb 0.37 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kw6 n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kw6 n ARG 114 N -1.94 0.59 0.00 0.00 3.00 -1.26 -4.94 116.66 112.11 2kw6 n ARG 114 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 2kw6 n ARG 114 Cb 0.33 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.88 2kw6 n ARG 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50