#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 0.13 -0.99 -5.12 0.00 -1.26 -5.06 107.32 95.02 2kw6 s GLY 52 Ca 0.00 2.95 -0.01 0.00 0.00 0.00 0.00 44.72 47.66 2kw6 s GLY 52 CO 0.00 1.32 1.69 1.57 0.00 0.00 0.00 173.10 177.68 2kw6 n HIS 53 N 0.82 2.84 -2.24 1.90 -0.00 -1.26 -5.01 115.22 112.27 2kw6 n HIS 53 Ca -0.03 -2.72 -0.41 0.00 0.46 0.00 0.00 57.72 55.01 2kw6 n HIS 53 Cb 0.58 -1.13 -0.03 0.00 -0.12 0.00 0.00 29.99 29.30 2kw6 n HIS 53 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kw6 s HIS 54 N -4.05 3.25 -0.65 1.57 5.65 -1.26 -4.90 115.29 114.90 2kw6 s HIS 54 Ca 0.39 1.44 -0.27 0.00 0.25 0.00 0.00 55.06 56.87 2kw6 s HIS 54 Cb 0.18 -3.55 -0.12 0.00 -1.18 0.00 0.00 32.58 27.91 2kw6 s HIS 54 CO -0.10 -1.50 2.50 0.72 -0.65 0.00 0.00 174.74 175.70 2kw6 n HIS 55 N 1.43 1.16 -1.77 3.88 -0.00 -1.26 -4.82 115.22 113.84 2kw6 n HIS 55 Ca 0.01 0.19 -0.38 0.00 -0.00 0.00 0.00 57.72 57.54 2kw6 n HIS 55 Cb 0.43 -2.54 -0.03 0.00 -0.00 0.00 0.00 29.99 27.85 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 11.28 1.35 0.01 4.41 5.04 -1.26 -4.98 115.29 131.14 2kw6 s HIS 56 Ca 1.09 1.12 -0.17 0.00 -1.54 0.00 0.00 55.06 55.56 2kw6 s HIS 56 Cb -0.49 -3.84 -0.06 0.00 0.04 0.00 0.00 32.58 28.24 2kw6 s HIS 56 CO 0.32 -2.64 0.49 -3.38 -2.34 0.00 0.00 174.74 167.19 2kw6 s HIS 57 N 10.29 3.72 -0.22 3.88 0.00 -1.26 -5.04 115.29 126.65 2kw6 s HIS 57 Ca 0.86 1.09 -0.29 0.00 -3.00 0.00 0.00 55.06 53.72 2kw6 s HIS 57 Cb -0.18 -2.42 -0.03 0.00 -4.00 0.00 0.00 32.58 25.95 2kw6 s HIS 57 CO 0.26 0.53 1.64 -3.38 -1.00 0.00 0.00 174.74 172.79 2kw6 s HIS 58 N -0.76 2.07 -0.18 0.38 -0.00 -1.26 -4.89 115.29 110.64 2kw6 s HIS 58 Ca 0.26 0.53 0.00 0.00 -0.00 0.00 0.00 55.06 55.86 2kw6 s HIS 58 Cb -0.17 -3.99 0.19 0.00 -0.00 0.00 0.00 32.58 28.61 2kw6 s HIS 58 CO 0.15 -3.00 1.62 0.43 -0.00 0.00 0.00 174.74 173.95 2kw6 n SER 59 N 8.55 4.54 0.00 7.38 7.64 -1.26 -4.90 113.62 135.57 2kw6 n SER 59 Ca 0.19 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.38 2kw6 n SER 59 Cb 0.45 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2kw6 n SER 59 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kw6 n HIS 60 N 0.27 0.00 -1.72 1.43 -0.00 -1.26 -4.87 115.22 109.07 2kw6 n HIS 60 Ca 0.21 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.50 2kw6 n HIS 60 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.71 2kw6 n HIS 60 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kw6 n SER 61 N 2.12 3.73 0.00 0.26 7.64 -1.26 -4.89 113.62 121.22 2kw6 n SER 61 Ca 0.00 1.11 0.03 0.00 1.01 0.00 0.00 58.87 61.02 2kw6 n SER 61 Cb 0.00 -1.55 0.14 0.00 -1.01 0.00 0.00 64.21 61.79 2kw6 n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kw6 n LYS 62 N 2.98 0.00 0.06 1.43 5.02 -1.26 -2.28 118.16 124.11 2kw6 n LYS 62 Ca 0.13 0.39 0.04 0.00 -2.02 0.00 0.00 58.31 56.84 2kw6 n LYS 62 Cb 0.35 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.30 2kw6 n LYS 62 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2kw6 h TYR 63 N 0.00 0.39 -0.36 2.13 0.05 -1.95 0.13 116.97 117.36 2kw6 h TYR 63 Ca 0.00 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.63 2kw6 h TYR 63 Cb 0.11 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2kw6 h TYR 63 CO 0.00 0.30 -0.35 0.00 -1.05 0.00 0.00 178.16 177.06 2kw6 h ALA 64 N 1.75 0.71 -0.55 3.88 0.00 -1.82 -0.95 119.26 122.27 2kw6 h ALA 64 Ca 0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2kw6 h ALA 64 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kw6 h ALA 64 CO -0.01 0.66 0.08 1.49 0.00 0.00 0.00 179.25 181.47 2kw6 h GLU 65 N 0.68 0.89 -0.44 0.00 4.81 -1.58 -2.33 114.58 116.61 2kw6 h GLU 65 Ca 0.07 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 2kw6 h GLU 65 Cb 0.91 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2kw6 h GLU 65 CO 0.08 0.84 -0.19 1.25 -0.73 0.00 0.00 179.01 180.26 2kw6 h LEU 66 N 0.84 0.88 -0.01 1.64 5.85 -0.57 0.89 115.31 124.83 2kw6 h LEU 66 Ca 0.17 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2kw6 h LEU 66 Cb 0.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kw6 h LEU 66 CO 0.01 1.05 -0.04 0.25 -0.34 0.00 0.00 178.44 179.37 2kw6 h LEU 67 N 0.76 -0.11 -0.89 2.25 5.85 -1.02 -2.48 115.31 119.67 2kw6 h LEU 67 Ca 0.11 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2kw6 h LEU 67 Cb 0.72 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2kw6 h LEU 67 CO 0.06 -0.06 -0.09 0.00 -0.34 0.00 0.00 178.44 178.01 2kw6 h ALA 68 N 0.94 1.07 0.50 1.25 0.00 -1.08 -1.55 119.26 120.38 2kw6 h ALA 68 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2kw6 h ALA 68 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kw6 h ALA 68 CO -0.04 0.57 -0.24 0.82 0.00 0.00 0.00 179.25 180.36 2kw6 h ILE 69 N 0.66 0.51 -0.61 0.00 2.04 -0.76 -0.50 117.51 118.84 2kw6 h ILE 69 Ca 0.12 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2kw6 h ILE 69 Cb 0.54 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2kw6 h ILE 69 CO 0.03 0.01 0.25 0.40 0.00 0.00 0.00 178.15 178.84 2kw6 h ILE 70 N -0.70 1.22 -0.64 -0.67 2.04 -1.35 0.28 117.51 117.68 2kw6 h ILE 70 Ca -0.07 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2kw6 h ILE 70 Cb 0.53 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2kw6 h ILE 70 CO 0.11 0.27 0.34 -0.08 0.00 0.00 0.00 178.15 178.79 2kw6 h GLU 71 N 0.88 0.89 -0.03 2.37 4.81 -1.19 -2.46 114.58 119.85 2kw6 h GLU 71 Ca 0.21 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2kw6 h GLU 71 Cb 0.17 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 2kw6 h GLU 71 CO -0.02 0.67 -0.04 0.93 -0.73 0.00 0.00 179.01 179.82 2kw6 h GLU 72 N 0.90 0.08 -0.71 1.92 5.08 0.53 -3.16 114.58 119.22 2kw6 h GLU 72 Ca 0.23 -0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.72 2kw6 h GLU 72 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2kw6 h GLU 72 CO -0.03 0.60 0.50 -0.07 -1.00 0.00 0.00 179.01 179.00 2kw6 h LEU 73 N -0.43 0.14 -0.57 1.33 3.38 -0.91 0.07 115.31 118.32 2kw6 h LEU 73 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2kw6 h LEU 73 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2kw6 h LEU 73 CO 0.01 0.07 -0.23 1.23 0.09 0.00 0.00 178.44 179.61 2kw6 h GLY 74 N 0.14 0.99 1.10 0.83 0.00 -1.42 -2.91 103.07 101.80 2kw6 h GLY 74 Ca 0.34 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 2kw6 h GLY 74 CO -0.05 0.79 0.00 0.50 0.00 0.00 0.00 176.54 177.78 2kw6 h LYS 75 N 0.79 1.08 0.00 4.80 1.57 -0.98 -3.16 116.57 120.66 2kw6 h LYS 75 Ca 0.10 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2kw6 h LYS 75 Cb 0.78 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2kw6 h LYS 75 CO 0.06 1.05 0.00 0.39 -0.57 0.00 0.00 179.45 180.38 2kw6 n GLU 76 N -4.18 0.67 -0.03 3.15 1.02 -0.72 -3.23 120.64 117.32 2kw6 n GLU 76 Ca 0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 2kw6 n GLU 76 Cb 0.35 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 2kw6 n GLU 76 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2kw6 h ILE 77 N 0.00 1.08 0.34 -3.67 2.04 -1.48 -2.91 117.51 112.91 2kw6 h ILE 77 Ca 0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2kw6 h ILE 77 Cb 0.15 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2kw6 h ILE 77 CO 0.00 0.08 -0.50 0.03 0.00 0.00 0.00 178.15 177.76 2kw6 h ARG 78 N 0.18 -0.84 -0.10 2.37 2.47 -1.77 -1.55 114.38 115.14 2kw6 h ARG 78 Ca 0.06 0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.69 2kw6 h ARG 78 Cb 0.04 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2kw6 h ARG 78 CO -0.01 -0.56 -0.57 -1.00 0.56 0.00 0.00 179.97 178.39 2kw6 h PRO 79 N -0.87 0.32 -0.06 0.04 0.13 -1.79 -1.29 132.00 128.48 2kw6 h PRO 79 Ca -0.04 -0.21 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 2kw6 h PRO 79 Cb 0.80 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 2kw6 h PRO 79 CO -0.15 0.81 -0.06 1.15 -0.23 0.00 0.00 178.00 179.51 2kw6 h THR 80 N 0.25 0.81 0.00 1.56 2.02 -1.50 -1.94 112.91 114.10 2kw6 h THR 80 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2kw6 h THR 80 Cb 1.08 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2kw6 h THR 80 CO 0.09 0.00 -0.20 0.22 0.37 0.00 0.00 175.52 176.01 2kw6 h TYR 81 N -0.08 0.00 0.00 3.16 3.20 -1.20 -2.02 116.97 120.02 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 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2kw6 h TYR 81 CO -0.16 0.20 0.00 0.00 -1.64 0.00 0.00 178.16 176.56 2kw6 n ALA 82 N -2.46 2.47 -2.05 1.82 0.00 -0.50 -4.86 120.51 114.93 2kw6 n ALA 82 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 2kw6 n ALA 82 Cb 0.27 -1.00 -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 0.29 0.26 3.52 0.00 0.00 -0.76 -5.02 105.19 103.49 2kw6 n GLY 83 Ca 0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.88 6.30 0.56 1.61 0.01 -0.79 -4.93 113.70 113.58 2kw6 s SER 84 Ca 0.00 -0.31 0.35 0.00 1.31 0.00 0.00 55.95 57.30 2kw6 s SER 84 Cb -0.00 -2.29 1.52 0.00 0.21 0.00 0.00 66.02 65.47 2kw6 s SER 84 CO 0.00 -0.65 2.04 0.50 0.41 0.00 0.00 173.24 175.54 2kw6 h LYS 85 N 8.72 0.00 0.05 12.44 3.64 -1.90 -2.58 116.57 136.94 2kw6 h LYS 85 Ca -0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 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 0.84 0.00 -0.02 0.66 -2.27 0.00 0.00 179.45 178.65 2kw6 h SER 86 N 0.00 -0.06 -0.48 4.20 4.64 -1.96 -3.26 113.55 116.64 2kw6 h SER 86 Ca 0.00 -0.36 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 2kw6 h SER 86 Cb 0.43 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2kw6 h SER 86 CO 0.00 0.34 -0.06 0.00 -0.87 0.00 0.00 176.83 176.24 2kw6 h ALA 87 N 0.46 0.65 -0.29 5.18 0.00 -1.83 -2.54 119.26 120.89 2kw6 h ALA 87 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2kw6 h ALA 87 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kw6 h ALA 87 CO 0.01 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.86 2kw6 h MET 88 N 0.74 0.41 0.01 0.00 3.00 -1.60 0.42 114.93 117.90 2kw6 h MET 88 Ca 0.13 -0.05 -0.26 0.00 0.00 0.00 0.00 59.70 59.52 2kw6 h MET 88 Cb 0.59 -0.08 0.02 0.00 0.00 0.00 0.00 31.60 32.13 2kw6 h MET 88 CO 0.04 0.37 -1.02 0.93 0.00 0.00 0.00 176.91 177.23 2kw6 h GLU 89 N 0.41 0.60 -0.64 -0.10 4.39 -1.56 -0.98 114.58 116.71 2kw6 h GLU 89 Ca 0.10 -0.66 -0.08 0.00 0.34 0.00 0.00 59.36 59.06 2kw6 h GLU 89 Cb 0.14 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2kw6 h GLU 89 CO -0.01 1.26 0.07 0.00 -1.16 0.00 0.00 179.01 179.17 2kw6 h ARG 90 N 0.34 1.08 -0.51 2.33 3.08 -1.20 -0.63 114.38 118.87 2kw6 h ARG 90 Ca -0.12 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2kw6 h ARG 90 Cb 1.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 2kw6 h ARG 90 CO 0.19 1.02 0.27 1.25 -1.07 0.00 0.00 179.97 181.63 2kw6 h LEU 91 N 0.99 0.64 -0.89 3.04 5.85 -0.91 -1.90 115.31 122.12 2kw6 h LEU 91 Ca 0.19 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2kw6 h LEU 91 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2kw6 h LEU 91 CO 0.02 0.55 -0.22 0.50 -0.34 0.00 0.00 178.44 178.95 2kw6 h LYS 92 N 0.67 0.56 0.20 1.25 3.64 -1.02 -1.58 116.57 120.29 2kw6 h LYS 92 Ca 0.18 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kw6 h LYS 92 Cb 0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2kw6 h LYS 92 CO -0.03 0.75 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.72 2kw6 h ARG 93 N 0.50 -0.25 -0.69 1.90 9.65 -0.76 -1.40 114.38 123.33 2kw6 h ARG 93 Ca 0.08 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2kw6 h ARG 93 Cb 0.66 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2kw6 h ARG 93 CO 0.05 -0.14 0.39 0.78 2.80 0.00 0.00 179.97 183.85 2kw6 h GLY 94 N -0.30 1.02 0.97 2.80 0.00 -1.27 -1.62 103.07 104.68 2kw6 h GLY 94 Ca -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2kw6 h GLY 94 CO 0.04 0.44 -0.19 -2.22 0.00 0.00 0.00 176.54 174.61 2kw6 h ILE 95 N 0.94 0.60 -0.67 2.60 2.04 -1.18 0.16 117.51 122.01 2kw6 h ILE 95 Ca 0.24 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2kw6 h ILE 95 Cb 0.02 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2kw6 h ILE 95 CO -0.04 0.01 0.43 0.40 0.00 0.00 0.00 178.15 178.95 2kw6 h ILE 96 N -0.58 1.13 -0.78 -0.67 2.04 -1.27 -2.42 117.51 114.96 2kw6 h ILE 96 Ca -0.06 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2kw6 h ILE 96 Cb 0.44 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2kw6 h ILE 96 CO 0.09 0.16 0.33 -0.74 0.00 0.00 0.00 178.15 177.99 2kw6 h HIS 97 N 0.86 1.15 -0.26 1.37 2.76 -1.17 -1.81 115.15 118.04 2kw6 h HIS 97 Ca 0.26 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2kw6 h HIS 97 Cb -0.04 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 2kw6 h HIS 97 CO -0.04 0.86 0.15 0.00 -1.30 0.00 0.00 177.93 177.60 2kw6 h ALA 98 N 1.24 0.33 0.00 5.26 0.00 -0.28 -2.18 119.26 123.63 2kw6 h ALA 98 Ca 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2kw6 h ALA 98 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kw6 h ALA 98 CO -0.03 -0.14 -0.28 -0.09 0.00 0.00 0.00 179.25 178.71 2kw6 h ARG 99 N 0.31 0.00 -0.45 0.00 2.43 -1.35 -2.50 114.38 112.83 2kw6 h ARG 99 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2kw6 h ARG 99 Cb 0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2kw6 h ARG 99 CO -0.02 0.28 0.03 0.78 -1.51 0.00 0.00 179.97 179.54 2kw6 h GLY 100 N 1.47 0.76 1.88 2.80 0.00 -0.72 -0.27 103.07 108.99 2kw6 h GLY 100 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2kw6 h GLY 100 CO 0.04 0.44 -0.47 1.41 0.00 0.00 0.00 176.54 177.96 2kw6 h LEU 101 N 0.68 0.14 -0.54 3.11 3.38 -1.01 -2.94 115.31 118.14 2kw6 h LEU 101 Ca 0.14 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 2kw6 h LEU 101 Cb 0.37 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2kw6 h LEU 101 CO 0.01 0.60 -0.72 0.58 0.09 0.00 0.00 178.44 179.00 2kw6 h VAL 102 N 0.11 1.47 0.42 1.22 2.07 -1.14 -3.05 116.25 117.34 2kw6 h VAL 102 Ca 0.00 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.17 2kw6 h VAL 102 Cb 0.88 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2kw6 h VAL 102 CO 0.07 0.68 -0.20 0.03 0.02 0.00 0.00 177.57 178.16 2kw6 h ARG 103 N 0.08 -0.54 0.00 1.57 2.47 -0.88 -0.05 114.38 117.03 2kw6 h ARG 103 Ca -0.02 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2kw6 h ARG 103 Cb 1.27 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 2kw6 h ARG 103 CO 0.10 -0.34 -0.18 1.05 0.56 0.00 0.00 179.97 181.17 2kw6 h GLU 104 N -0.60 0.00 -0.04 0.04 4.11 -1.67 -1.90 114.58 114.52 2kw6 h GLU 104 Ca -0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.23 2kw6 h GLU 104 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kw6 h GLU 104 CO 0.09 0.18 -0.62 0.00 0.07 0.00 0.00 179.01 178.73 2kw6 h LEU 106 N 0.12 -0.03 -2.40 0.00 3.38 -0.24 -0.51 115.31 115.63 2kw6 h LEU 106 Ca -0.01 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.43 2kw6 h LEU 106 Cb 1.12 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kw6 h LEU 106 CO 0.09 0.55 0.08 0.00 0.09 0.00 0.00 178.44 179.25 2kw6 h ALA 107 N 0.32 1.60 0.03 1.53 0.00 -1.46 0.21 119.26 121.49 2kw6 h ALA 107 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kw6 h ALA 107 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kw6 h ALA 107 CO 0.01 -0.11 -0.02 1.49 0.00 0.00 0.00 179.25 180.62 2kw6 h GLU 108 N 0.00 -0.05 0.00 0.00 4.81 -1.39 -3.39 114.58 114.57 2kw6 h GLU 108 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kw6 h GLU 108 Cb 0.18 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kw6 h GLU 108 CO -0.00 -0.03 -0.00 1.15 -0.73 0.00 0.00 179.01 179.40 2kw6 h THR 109 N -0.47 0.21 -0.48 0.32 2.02 -0.88 -1.96 112.91 111.67 2kw6 h THR 109 Ca -0.00 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2kw6 h THR 109 Cb 0.04 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2kw6 h THR 109 CO 0.01 0.00 0.33 -0.08 0.37 0.00 0.00 175.52 176.14 2kw6 h GLU 110 N 0.00 0.33 0.00 6.66 4.81 -0.96 0.44 114.58 125.86 2kw6 h GLU 110 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kw6 h GLU 110 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kw6 h GLU 110 CO 0.00 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 2kw6 h ARG 111 N 0.34 0.00 -0.00 1.92 2.47 -1.58 -3.25 114.38 114.29 2kw6 h ARG 111 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2kw6 h ARG 111 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2kw6 h ARG 111 CO -0.05 0.00 -0.73 -1.71 0.56 0.00 0.00 179.97 178.04 2kw6 n ASN 112 N -2.89 0.87 0.00 7.04 5.15 0.14 -5.01 115.26 120.56 2kw6 n ASN 112 Ca 0.04 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 2kw6 n ASN 112 Cb 0.48 0.94 0.00 0.00 -0.53 0.00 0.00 39.78 40.68 2kw6 n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kw6 n ALA 113 N -1.25 0.00 -3.12 5.20 0.00 0.13 -5.10 120.51 116.37 2kw6 n ALA 113 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 2kw6 n ALA 113 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 2kw6 n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kw6 n ARG 114 N 0.00 0.42 0.00 0.00 0.63 -1.26 -3.35 116.66 113.10 2kw6 n ARG 114 Ca 0.00 -2.72 0.15 0.00 -0.92 0.00 0.00 57.85 54.36 2kw6 n ARG 114 Cb 0.00 -1.53 0.90 0.00 0.45 0.00 0.00 32.46 32.29 2kw6 n ARG 114 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55