#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 1.43 3.55 3.03 0.00 -1.26 -5.11 105.19 106.83 2kw6 n GLY 52 Ca 0.00 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.86 1.99 0.14 1.61 3.76 -1.26 -4.97 115.29 112.71 2kw6 s HIS 53 Ca 0.13 0.31 0.08 0.00 -0.15 0.00 0.00 55.06 55.44 2kw6 s HIS 53 Cb -0.03 -4.35 -0.04 0.00 1.11 0.00 0.00 32.58 29.27 2kw6 s HIS 53 CO 0.10 -2.14 -0.19 -3.38 -0.85 0.00 0.00 174.74 168.27 2kw6 s HIS 54 N 7.48 1.81 0.58 1.40 -0.00 -1.26 -5.15 115.29 120.15 2kw6 s HIS 54 Ca 0.53 -0.45 -0.15 0.00 -0.00 0.00 0.00 55.06 54.99 2kw6 s HIS 54 Cb -0.09 -0.93 -0.05 0.00 -0.00 0.00 0.00 32.58 31.51 2kw6 s HIS 54 CO 0.14 0.29 1.03 -1.01 -0.00 0.00 0.00 174.74 175.19 2kw6 s HIS 55 N -1.76 3.28 -1.19 0.38 3.76 -1.26 -4.96 115.29 113.55 2kw6 s HIS 55 Ca 0.13 1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 56.30 2kw6 s HIS 55 Cb -0.07 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 2kw6 s HIS 55 CO 0.06 -0.78 1.99 0.72 -0.85 0.00 0.00 174.74 175.88 2kw6 n HIS 56 N -2.12 3.20 -2.62 1.40 -0.00 -1.26 -4.89 115.22 108.93 2kw6 n HIS 56 Ca 0.07 -2.37 -0.42 0.00 -0.00 0.00 0.00 57.72 55.01 2kw6 n HIS 56 Cb 0.54 -2.35 -0.03 0.00 -0.00 0.00 0.00 29.99 28.14 2kw6 n HIS 56 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kw6 s HIS 57 N 5.24 2.63 -1.20 4.41 5.65 -1.26 -4.93 115.29 125.83 2kw6 s HIS 57 Ca 0.55 -0.96 -0.21 0.00 0.25 0.00 0.00 55.06 54.69 2kw6 s HIS 57 Cb 0.09 -4.63 -0.03 0.00 -1.18 0.00 0.00 32.58 26.83 2kw6 s HIS 57 CO 0.04 -1.86 1.85 -1.58 -0.65 0.00 0.00 174.74 172.54 2kw6 s HIS 58 N 4.58 2.25 0.05 3.88 2.46 -1.26 -4.94 115.29 122.31 2kw6 s HIS 58 Ca 0.44 -0.29 -0.30 0.00 0.47 0.00 0.00 55.06 55.37 2kw6 s HIS 58 Cb -0.01 -4.29 -0.08 0.00 -0.13 0.00 0.00 32.58 28.07 2kw6 s HIS 58 CO -0.09 -1.47 1.78 -1.12 -2.47 0.00 0.00 174.74 171.37 2kw6 s SER 59 N 5.74 6.53 -0.45 9.88 0.01 -1.26 -4.97 113.70 129.18 2kw6 s SER 59 Ca 0.63 2.56 -0.05 0.00 1.31 0.00 0.00 55.95 60.39 2kw6 s SER 59 Cb 0.01 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.80 2kw6 s SER 59 CO 0.10 -0.97 0.27 -1.38 0.41 0.00 0.00 173.24 171.67 2kw6 s HIS 60 N 3.38 3.53 -0.06 2.43 0.00 -1.26 -4.81 115.29 118.49 2kw6 s HIS 60 Ca 0.79 -2.28 -0.31 0.00 -3.00 0.00 0.00 55.06 50.26 2kw6 s HIS 60 Cb -0.41 -3.31 0.12 0.00 -4.00 0.00 0.00 32.58 24.98 2kw6 s HIS 60 CO 0.35 -0.97 1.18 -1.54 -1.00 0.00 0.00 174.74 172.76 2kw6 s SER 61 N 2.00 -0.13 0.43 7.38 1.04 -1.26 -4.93 113.70 118.23 2kw6 s SER 61 Ca 0.08 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.64 2kw6 s SER 61 Cb -0.24 0.22 0.88 0.00 0.10 0.00 0.00 66.02 66.98 2kw6 s SER 61 CO -0.03 -0.38 1.81 0.11 0.98 0.00 0.00 173.24 175.73 2kw6 h LYS 62 N 2.00 0.00 -0.11 4.02 1.57 -1.99 -1.87 116.57 120.20 2kw6 h LYS 62 Ca -0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 2kw6 h LYS 62 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2kw6 h LYS 62 CO 0.26 0.23 -0.67 1.88 -0.57 0.00 0.00 179.45 180.58 2kw6 h TYR 63 N 0.00 0.58 0.00 -1.35 0.05 -1.98 -1.65 116.97 112.61 2kw6 h TYR 63 Ca -0.00 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.47 2kw6 h TYR 63 Cb 0.78 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 2kw6 h TYR 63 CO 0.00 0.98 -0.34 0.00 -1.05 0.00 0.00 178.16 177.75 2kw6 h ALA 64 N 0.96 1.27 -0.09 3.88 0.00 -1.76 0.44 119.26 123.97 2kw6 h ALA 64 Ca -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2kw6 h ALA 64 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kw6 h ALA 64 CO 0.12 0.42 -0.25 1.49 0.00 0.00 0.00 179.25 181.03 2kw6 h GLU 65 N 0.00 0.33 -0.45 0.00 4.57 -1.28 -2.28 114.58 115.47 2kw6 h GLU 65 Ca -0.00 -0.23 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2kw6 h GLU 65 Cb 0.67 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 2kw6 h GLU 65 CO 0.04 0.85 0.25 1.25 -1.18 0.00 0.00 179.01 180.22 2kw6 h LEU 66 N -0.14 0.38 0.26 1.64 5.85 -1.07 -0.86 115.31 121.38 2kw6 h LEU 66 Ca -0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2kw6 h LEU 66 Cb 0.86 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2kw6 h LEU 66 CO 0.05 0.27 -0.12 0.25 -0.34 0.00 0.00 178.44 178.55 2kw6 h LEU 67 N 0.49 -0.29 -1.54 2.25 5.85 -0.99 -2.18 115.31 118.89 2kw6 h LEU 67 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2kw6 h LEU 67 Cb 0.06 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2kw6 h LEU 67 CO -0.11 -0.20 0.06 0.00 -0.34 0.00 0.00 178.44 177.85 2kw6 h ALA 68 N 0.39 1.64 0.39 1.25 0.00 -1.09 -1.10 119.26 120.74 2kw6 h ALA 68 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kw6 h ALA 68 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kw6 h ALA 68 CO 0.06 0.28 -0.19 0.82 0.00 0.00 0.00 179.25 180.22 2kw6 h ILE 69 N 0.36 0.55 -0.19 0.00 2.04 -1.10 -3.25 117.51 115.91 2kw6 h ILE 69 Ca 0.09 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2kw6 h ILE 69 Cb 0.14 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2kw6 h ILE 69 CO -0.00 0.09 0.08 0.40 0.00 0.00 0.00 178.15 178.71 2kw6 h ILE 70 N -0.85 1.15 0.00 -0.67 2.04 -0.78 -1.14 117.51 117.26 2kw6 h ILE 70 Ca -0.05 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2kw6 h ILE 70 Cb 0.54 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2kw6 h ILE 70 CO 0.09 0.15 -0.01 1.05 0.00 0.00 0.00 178.15 179.42 2kw6 h GLU 71 N 0.16 0.00 0.20 2.37 4.11 -1.39 -1.73 114.58 118.30 2kw6 h GLU 71 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.15 2kw6 h GLU 71 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kw6 h GLU 71 CO -0.01 0.01 -1.69 1.49 0.07 0.00 0.00 179.01 178.89 2kw6 h GLU 72 N 0.00 0.42 -0.68 1.06 4.81 -1.39 -3.34 114.58 115.46 2kw6 h GLU 72 Ca -0.00 -0.71 0.13 0.00 -0.13 0.00 0.00 59.36 58.64 2kw6 h GLU 72 Cb 0.09 0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2kw6 h GLU 72 CO 0.00 1.34 0.45 -0.07 -0.73 0.00 0.00 179.01 180.01 2kw6 h LEU 73 N 0.09 0.36 -0.94 1.64 3.38 -0.33 -0.56 115.31 118.96 2kw6 h LEU 73 Ca -0.33 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2kw6 h LEU 73 Cb 2.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2kw6 h LEU 73 CO 0.19 0.20 -0.01 1.23 0.09 0.00 0.00 178.44 180.15 2kw6 h GLY 74 N 0.39 0.83 2.00 0.83 0.00 -1.60 -2.59 103.07 102.94 2kw6 h GLY 74 Ca 0.32 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2kw6 h GLY 74 CO -0.09 0.51 -0.31 0.50 0.00 0.00 0.00 176.54 177.15 2kw6 h LYS 75 N 0.72 0.00 0.00 4.80 1.79 -1.23 -3.12 116.57 119.52 2kw6 h LYS 75 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2kw6 h LYS 75 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2kw6 h LYS 75 CO 0.02 0.31 0.00 0.93 -1.08 0.00 0.00 179.45 179.63 2kw6 h GLU 76 N 0.00 0.00 -0.57 3.15 4.39 -1.03 -3.29 114.58 117.23 2kw6 h GLU 76 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2kw6 h GLU 76 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2kw6 h GLU 76 CO 0.04 0.00 0.05 0.82 -1.16 0.00 0.00 179.01 178.76 2kw6 h ILE 77 N 0.00 1.26 0.29 3.13 2.04 -1.51 -2.23 117.51 120.50 2kw6 h ILE 77 Ca 0.00 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2kw6 h ILE 77 Cb 0.73 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2kw6 h ILE 77 CO 0.00 0.38 -0.48 -0.09 0.00 0.00 0.00 178.15 177.96 2kw6 h ARG 78 N 0.87 -0.80 -0.12 2.37 2.43 -1.77 -0.24 114.38 117.12 2kw6 h ARG 78 Ca 0.17 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 2kw6 h ARG 78 Cb 0.48 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2kw6 h ARG 78 CO 0.02 -0.53 -0.48 -1.00 -1.51 0.00 0.00 179.97 176.46 2kw6 h PRO 79 N -0.83 0.31 -0.30 0.20 0.13 -1.78 -2.09 132.00 127.64 2kw6 h PRO 79 Ca -0.02 -0.17 0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2kw6 h PRO 79 Cb 0.78 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2kw6 h PRO 79 CO -0.17 0.73 0.08 1.15 -0.23 0.00 0.00 178.00 179.56 2kw6 h THR 80 N 0.25 0.88 0.00 1.56 2.02 -1.29 -1.10 112.91 115.23 2kw6 h THR 80 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kw6 h THR 80 Cb 0.95 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2kw6 h THR 80 CO 0.08 0.04 0.00 0.22 0.37 0.00 0.00 175.52 176.22 2kw6 h TYR 81 N 0.20 0.00 -0.02 3.16 3.20 -1.03 -2.37 116.97 120.11 2kw6 h TYR 81 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2kw6 h TYR 81 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2kw6 h TYR 81 CO -0.15 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.37 2kw6 n ALA 82 N -2.04 2.62 -0.82 1.82 0.00 -0.77 -4.91 120.51 116.40 2kw6 n ALA 82 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kw6 n ALA 82 Cb 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.96 0.88 3.64 0.00 0.00 -0.89 -5.04 105.19 104.74 2kw6 n GLY 83 Ca 0.19 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2kw6 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kw6 s SER 84 N -2.55 6.81 0.47 1.61 0.15 -0.49 -4.93 113.70 114.77 2kw6 s SER 84 Ca 0.00 1.00 0.27 0.00 0.70 0.00 0.00 55.95 57.92 2kw6 s SER 84 Cb 0.00 -2.42 0.91 0.00 -1.71 0.00 0.00 66.02 62.80 2kw6 s SER 84 CO 0.00 -0.48 1.82 0.50 1.20 0.00 0.00 173.24 176.28 2kw6 h LYS 85 N 7.67 0.00 0.16 5.44 3.64 -1.92 -3.09 116.57 128.47 2kw6 h LYS 85 Ca -0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2kw6 h LYS 85 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2kw6 h LYS 85 CO 0.85 0.11 -0.08 0.77 -2.27 0.00 0.00 179.45 178.84 2kw6 h SER 86 N 0.00 -0.18 -0.61 4.20 0.02 -1.96 -3.33 113.55 111.69 2kw6 h SER 86 Ca -0.00 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2kw6 h SER 86 Cb 0.75 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2kw6 h SER 86 CO 0.01 0.38 0.17 0.00 -1.14 0.00 0.00 176.83 176.26 2kw6 h ALA 87 N -0.44 1.10 -0.14 3.77 0.00 -1.91 -2.50 119.26 119.15 2kw6 h ALA 87 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2kw6 h ALA 87 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kw6 h ALA 87 CO 0.04 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.78 2kw6 h MET 88 N 0.95 0.21 0.03 0.00 -0.00 -1.71 0.06 114.93 114.48 2kw6 h MET 88 Ca 0.21 -0.05 -0.24 0.00 -0.00 0.00 0.00 59.70 59.62 2kw6 h MET 88 Cb 0.31 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2kw6 h MET 88 CO -0.00 0.34 -1.03 0.93 -0.00 0.00 0.00 176.91 177.15 2kw6 h GLU 89 N 0.21 0.41 -0.28 -0.10 4.39 -1.57 -0.58 114.58 117.07 2kw6 h GLU 89 Ca 0.04 -0.49 -0.15 0.00 0.34 0.00 0.00 59.36 59.11 2kw6 h GLU 89 Cb 0.34 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2kw6 h GLU 89 CO 0.02 1.16 -0.43 0.00 -1.16 0.00 0.00 179.01 178.60 2kw6 h ARG 90 N 0.21 0.68 -0.32 2.33 3.08 -1.15 -1.03 114.38 118.18 2kw6 h ARG 90 Ca -0.10 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2kw6 h ARG 90 Cb 1.68 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 2kw6 h ARG 90 CO 0.18 0.98 0.09 1.25 -1.07 0.00 0.00 179.97 181.40 2kw6 h LEU 91 N 0.55 0.47 0.79 3.04 5.85 -1.01 -2.40 115.31 122.61 2kw6 h LEU 91 Ca 0.04 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2kw6 h LEU 91 Cb 0.96 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.88 2kw6 h LEU 91 CO 0.09 0.57 -0.38 0.50 -0.34 0.00 0.00 178.44 178.87 2kw6 h LYS 92 N 0.36 -1.03 0.00 1.25 3.64 -0.99 -2.10 116.57 117.70 2kw6 h LYS 92 Ca 0.10 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2kw6 h LYS 92 Cb 0.27 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2kw6 h LYS 92 CO -0.00 -0.69 -0.33 0.00 -2.27 0.00 0.00 179.45 176.17 2kw6 h ARG 93 N -1.24 0.00 -0.30 1.90 3.08 -1.29 -0.40 114.38 116.13 2kw6 h ARG 93 Ca -0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2kw6 h ARG 93 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2kw6 h ARG 93 CO 0.18 0.33 -0.42 0.78 -1.07 0.00 0.00 179.97 179.77 2kw6 h GLY 94 N 1.31 0.90 0.88 0.04 0.00 -1.49 -1.34 103.07 103.36 2kw6 h GLY 94 Ca -0.00 -0.98 0.02 0.00 0.00 0.00 0.00 47.33 46.36 2kw6 h GLY 94 CO 0.04 0.89 0.13 -2.22 0.00 0.00 0.00 176.54 175.38 2kw6 h ILE 95 N 0.59 0.99 -0.80 2.60 2.04 -0.55 0.06 117.51 122.45 2kw6 h ILE 95 Ca 0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2kw6 h ILE 95 Cb 1.02 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 2kw6 h ILE 95 CO 0.10 0.05 0.42 0.40 0.00 0.00 0.00 178.15 179.12 2kw6 h ILE 96 N 0.27 1.24 -0.54 -0.67 2.04 -1.13 -1.06 117.51 117.68 2kw6 h ILE 96 Ca 0.11 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2kw6 h ILE 96 Cb 0.03 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2kw6 h ILE 96 CO -0.07 0.28 0.20 0.45 0.00 0.00 0.00 178.15 179.01 2kw6 h HIS 97 N 1.13 0.83 -0.59 1.37 3.86 -1.02 -1.14 115.15 119.58 2kw6 h HIS 97 Ca 0.28 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2kw6 h HIS 97 Cb 0.07 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2kw6 h HIS 97 CO 0.01 0.69 0.31 0.00 0.86 0.00 0.00 177.93 179.80 2kw6 h ALA 98 N 1.05 1.44 -0.21 2.45 0.00 -0.60 -1.60 119.26 121.80 2kw6 h ALA 98 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2kw6 h ALA 98 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kw6 h ALA 98 CO -0.01 0.46 -0.40 -0.09 0.00 0.00 0.00 179.25 179.21 2kw6 h ARG 99 N 0.82 0.48 -0.48 0.00 2.43 -0.92 -2.40 114.38 114.30 2kw6 h ARG 99 Ca 0.21 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2kw6 h ARG 99 Cb 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2kw6 h ARG 99 CO -0.03 0.80 -0.11 0.78 -1.51 0.00 0.00 179.97 179.90 2kw6 h GLY 100 N 1.10 0.96 1.10 2.80 0.00 -0.46 -1.55 103.07 107.01 2kw6 h GLY 100 Ca 0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 2kw6 h GLY 100 CO 0.07 0.68 0.28 1.41 0.00 0.00 0.00 176.54 178.99 2kw6 h LEU 101 N 0.80 1.05 -0.85 3.11 3.38 -1.18 -2.80 115.31 118.82 2kw6 h LEU 101 Ca 0.13 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2kw6 h LEU 101 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2kw6 h LEU 101 CO 0.04 0.95 -0.09 0.58 0.09 0.00 0.00 178.44 180.01 2kw6 h VAL 102 N 1.10 1.25 0.18 1.22 2.07 -1.10 -1.28 116.25 119.70 2kw6 h VAL 102 Ca 0.25 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2kw6 h VAL 102 Cb 0.24 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2kw6 h VAL 102 CO -0.02 0.38 -0.12 0.03 0.02 0.00 0.00 177.57 177.87 2kw6 h ARG 103 N 0.69 -0.28 0.00 1.57 2.47 -1.04 0.62 114.38 118.40 2kw6 h ARG 103 Ca 0.12 0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 2kw6 h ARG 103 Cb 0.55 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2kw6 h ARG 103 CO 0.03 -0.19 -0.63 1.05 0.56 0.00 0.00 179.97 180.79 2kw6 h GLU 104 N -0.30 0.00 -0.10 0.04 4.11 -1.51 -1.59 114.58 115.24 2kw6 h GLU 104 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 2kw6 h GLU 104 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kw6 h GLU 104 CO 0.01 0.63 -0.55 0.00 0.07 0.00 0.00 179.01 179.17 2kw6 h LEU 106 N 0.22 0.24 -1.45 0.00 3.38 -0.65 -0.93 115.31 116.11 2kw6 h LEU 106 Ca 0.00 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2kw6 h LEU 106 Cb 1.04 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2kw6 h LEU 106 CO 0.09 0.67 0.48 0.00 0.09 0.00 0.00 178.44 179.76 2kw6 h ALA 107 N 0.58 1.85 0.00 1.53 0.00 -1.27 -1.42 119.26 120.53 2kw6 h ALA 107 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kw6 h ALA 107 Cb 0.60 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kw6 h ALA 107 CO 0.02 -0.00 -0.36 1.49 0.00 0.00 0.00 179.25 180.40 2kw6 h GLU 108 N 0.61 0.00 0.00 0.00 4.81 -1.44 -3.38 114.58 115.18 2kw6 h GLU 108 Ca 0.33 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2kw6 h GLU 108 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kw6 h GLU 108 CO -0.12 0.19 -0.12 1.15 -0.73 0.00 0.00 179.01 179.38 2kw6 h THR 109 N -1.00 0.60 -0.15 0.32 2.02 -1.16 -1.95 112.91 111.59 2kw6 h THR 109 Ca -0.04 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2kw6 h THR 109 Cb 0.45 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2kw6 h THR 109 CO -0.02 0.12 0.07 -0.08 0.37 0.00 0.00 175.52 175.98 2kw6 h GLU 110 N 0.00 0.14 0.00 6.66 4.22 -1.46 0.18 114.58 124.33 2kw6 h GLU 110 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2kw6 h GLU 110 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kw6 h GLU 110 CO 0.02 0.10 0.00 0.00 -2.18 0.00 0.00 179.01 176.94 2kw6 h ARG 111 N 0.15 0.00 -0.02 1.92 3.08 -1.58 -3.23 114.38 114.70 2kw6 h ARG 111 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2kw6 h ARG 111 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2kw6 h ARG 111 CO -0.05 0.00 -0.43 -1.71 -1.07 0.00 0.00 179.97 176.70 2kw6 n ASN 112 N -2.94 2.09 -0.63 7.04 5.15 -0.79 -5.02 115.26 120.17 2kw6 n ASN 112 Ca 0.03 -1.55 0.00 0.00 -0.60 0.00 0.00 54.58 52.47 2kw6 n ASN 112 Cb 0.45 0.44 0.00 0.00 -0.53 0.00 0.00 39.78 40.14 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 0.08 0.00 -0.08 5.20 0.00 0.61 -5.02 120.51 121.31 2kw6 n ALA 113 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 2kw6 n ALA 113 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 0.47 0.00 0.00 0.63 -1.26 -4.77 116.66 111.73 2kw6 n ARG 114 Ca 0.00 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2kw6 n ARG 114 Cb 0.00 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2kw6 n ARG 114 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99