#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw9 n GLY 2 N 0.00 0.12 0.52 3.17 0.00 -1.26 -4.92 105.19 102.82 2kw9 n GLY 2 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.49 2kw9 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kw9 n HIS 3 N -3.91 0.37 -1.52 1.61 -0.00 -1.26 -4.95 115.22 105.56 2kw9 n HIS 3 Ca -0.09 -0.17 -0.45 0.00 -0.00 0.00 0.00 57.72 57.00 2kw9 n HIS 3 Cb 0.55 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.99 30.48 2kw9 n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kw9 n HIS 4 N 0.19 0.63 -3.35 1.57 -0.00 -1.26 -4.99 115.22 108.01 2kw9 n HIS 4 Ca 0.08 0.78 -0.14 0.00 -0.00 0.00 0.00 57.72 58.44 2kw9 n HIS 4 Cb 0.25 -2.15 -0.08 0.00 -0.00 0.00 0.00 29.99 28.02 2kw9 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kw9 s HIS 5 N -1.06 -0.66 -0.28 -1.40 0.00 -1.26 -5.12 115.29 105.50 2kw9 s HIS 5 Ca 0.60 -0.10 -0.15 0.00 -3.00 0.00 0.00 55.06 52.41 2kw9 s HIS 5 Cb -0.77 -0.33 0.09 0.00 -4.00 0.00 0.00 32.58 27.58 2kw9 s HIS 5 CO 0.59 -0.96 0.70 -3.38 -1.00 0.00 0.00 174.74 170.69 2kw9 s HIS 6 N 2.25 -1.07 -0.29 0.38 0.00 -1.26 -5.17 115.29 110.13 2kw9 s HIS 6 Ca 0.11 2.11 -0.24 0.00 -3.00 0.00 0.00 55.06 54.03 2kw9 s HIS 6 Cb -0.13 0.64 0.16 0.00 -4.00 0.00 0.00 32.58 29.25 2kw9 s HIS 6 CO -0.26 -0.53 1.23 -3.38 -1.00 0.00 0.00 174.74 170.80 2kw9 s HIS 7 N 1.76 -0.27 -0.30 0.38 0.00 -1.26 -5.16 115.29 110.44 2kw9 s HIS 7 Ca -0.10 0.64 -0.07 0.00 -3.00 0.00 0.00 55.06 52.54 2kw9 s HIS 7 Cb -0.06 0.41 0.17 0.00 -4.00 0.00 0.00 32.58 29.11 2kw9 s HIS 7 CO -0.20 -0.13 0.76 -1.58 -1.00 0.00 0.00 174.74 172.59 2kw9 s HIS 8 N 0.19 -1.21 0.11 0.38 5.65 -1.26 -5.17 115.29 113.99 2kw9 s HIS 8 Ca 0.05 1.50 -0.08 0.00 0.25 0.00 0.00 55.06 56.77 2kw9 s HIS 8 Cb -0.05 0.50 -0.06 0.00 -1.18 0.00 0.00 32.58 31.80 2kw9 s HIS 8 CO -0.11 -0.64 0.39 -1.12 -0.65 0.00 0.00 174.74 172.61 2kw9 s SER 9 N 2.84 6.58 0.17 9.88 0.01 -1.26 -5.11 113.70 126.80 2kw9 s SER 9 Ca 0.08 0.71 0.03 0.00 1.31 0.00 0.00 55.95 58.09 2kw9 s SER 9 Cb -0.12 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2kw9 s SER 9 CO -0.18 0.12 0.30 -1.00 0.41 0.00 0.00 173.24 172.88 2kw9 s HIS 10 N -1.51 3.47 -0.13 2.43 4.02 -1.26 -5.12 115.29 117.20 2kw9 s HIS 10 Ca 0.36 0.09 -0.02 0.00 1.02 0.00 0.00 55.06 56.51 2kw9 s HIS 10 Cb -0.13 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.58 29.76 2kw9 s HIS 10 CO 0.20 0.50 -0.05 -1.64 1.02 0.00 0.00 174.74 174.77 2kw9 s MET 11 N -3.38 3.37 -0.06 1.40 1.00 -1.26 -5.12 119.30 115.26 2kw9 s MET 11 Ca 0.34 -0.54 0.03 0.00 0.00 0.00 0.00 55.69 55.53 2kw9 s MET 11 Cb -0.11 -2.79 0.01 0.00 0.00 0.00 0.00 34.83 31.93 2kw9 s MET 11 CO 0.28 0.37 -0.15 -1.12 0.00 0.00 0.00 175.02 174.41 2kw9 s SER 12 N -0.00 1.98 0.28 3.03 0.01 -1.26 -5.14 113.70 112.59 2kw9 s SER 12 Ca 0.00 -0.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 2kw9 s SER 12 Cb -0.13 -0.75 -0.07 0.00 0.21 0.00 0.00 66.02 65.28 2kw9 s SER 12 CO 0.03 0.09 0.59 0.42 0.41 0.00 0.00 173.24 174.78 2kw9 s THR 13 N 0.37 4.93 0.00 1.44 -4.23 -1.26 -5.10 115.64 111.79 2kw9 s THR 13 Ca -0.10 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2kw9 s THR 13 Cb -0.14 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2kw9 s THR 13 CO 0.03 -0.22 0.00 -0.81 -0.54 0.00 0.00 174.62 173.08 2kw9 n PRO 14 N -0.57 -0.02 -2.72 3.99 -0.04 -1.26 -5.12 135.00 129.26 2kw9 n PRO 14 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2kw9 n PRO 14 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 2kw9 n PRO 14 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kw9 n LEU 15 N 0.00 0.00 0.08 1.53 -0.00 -1.26 -5.10 117.00 112.25 2kw9 n LEU 15 Ca 0.00 -1.16 -0.07 0.00 -0.00 0.00 0.00 56.01 54.77 2kw9 n LEU 15 Cb 0.00 0.77 -0.04 0.00 -0.00 0.00 0.00 43.42 44.14 2kw9 n LEU 15 CO 0.00 -0.22 0.22 0.71 -0.00 0.00 0.00 177.39 178.10 2kw9 h THR 16 N 1.40 0.32 -0.79 1.47 1.35 -2.04 -3.47 112.91 111.15 2kw9 h THR 16 Ca -0.09 -0.93 -0.24 0.00 -0.55 0.00 0.00 66.41 64.59 2kw9 h THR 16 Cb 0.46 0.56 -0.08 0.00 -1.73 0.00 0.00 68.15 67.36 2kw9 h THR 16 CO 0.13 0.09 -0.23 0.61 -0.25 0.00 0.00 175.52 175.87 2kw9 n GLY 17 N 0.86 1.00 3.10 5.82 0.00 -1.26 -5.00 105.19 109.71 2kw9 n GLY 17 Ca -0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2kw9 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kw9 s LYS 18 N -3.32 0.48 0.77 1.61 1.02 -1.26 -5.17 119.74 113.87 2kw9 s LYS 18 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 2kw9 s LYS 18 Cb 0.00 0.20 0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2kw9 s LYS 18 CO 0.00 -0.11 1.08 -2.14 -0.92 0.00 0.00 175.35 173.26 2kw9 s PRO 19 N -1.39 2.32 0.15 -1.68 0.02 -1.26 -4.99 135.00 128.18 2kw9 s PRO 19 Ca -0.15 1.00 -0.16 0.00 0.02 0.00 0.00 61.00 61.71 2kw9 s PRO 19 Cb -0.08 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.57 2kw9 s PRO 19 CO 0.01 -1.55 1.78 0.78 -0.33 0.00 0.00 177.00 177.70 2kw9 h GLY 20 N -1.05 0.50 0.00 0.52 0.00 -2.04 -3.45 103.07 97.55 2kw9 h GLY 20 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2kw9 h GLY 20 CO 0.54 0.10 0.00 0.00 0.00 0.00 0.00 176.54 177.19 2kw9 n ALA 21 N -2.27 0.00 -1.99 3.60 0.00 -1.26 -5.02 120.51 113.58 2kw9 n ALA 21 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2kw9 n ALA 21 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 2kw9 n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kw9 s LEU 22 N 0.00 4.36 0.96 0.00 1.43 -1.26 -4.98 118.68 119.19 2kw9 s LEU 22 Ca 0.00 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2kw9 s LEU 22 Cb 0.00 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.81 2kw9 s LEU 22 CO 0.00 -0.82 1.10 -2.84 0.23 0.00 0.00 176.35 174.02 2kw9 s PRO 23 N 1.92 0.67 -0.04 1.29 0.02 -1.26 -4.92 135.00 132.68 2kw9 s PRO 23 Ca 0.70 1.23 0.07 0.00 0.02 0.00 0.00 61.00 63.02 2kw9 s PRO 23 Cb -0.40 -1.71 0.27 0.00 0.02 0.00 0.00 34.50 32.68 2kw9 s PRO 23 CO 0.31 -2.77 1.10 0.00 -0.33 0.00 0.00 177.00 175.32 2kw9 n ALA 24 N -4.30 2.68 -0.22 -1.55 0.00 -1.26 -3.86 120.51 112.01 2kw9 n ALA 24 Ca 0.09 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 53.05 2kw9 n ALA 24 Cb 0.53 -1.01 0.25 0.00 0.00 0.00 0.00 19.45 19.22 2kw9 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kw9 n ASN 25 N 0.27 3.51 0.16 0.00 4.13 -1.26 -4.61 115.26 117.47 2kw9 n ASN 25 Ca 0.10 -1.99 0.17 0.00 1.68 0.00 0.00 54.58 54.54 2kw9 n ASN 25 Cb 0.38 -0.37 0.77 0.00 -1.54 0.00 0.00 39.78 39.02 2kw9 n ASN 25 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2kw9 h LEU 26 N 3.49 0.00 0.30 3.41 3.38 -1.91 0.19 115.31 124.17 2kw9 h LEU 26 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kw9 h LEU 26 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kw9 h LEU 26 CO 0.00 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 178.83 2kw9 h ASP 27 N 0.00 -0.34 0.46 -0.43 5.19 -1.93 -3.21 116.42 116.17 2kw9 h ASP 27 Ca 0.12 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.32 2kw9 h ASP 27 Cb 0.59 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 2kw9 h ASP 27 CO -0.00 -0.17 -0.70 0.44 -3.12 0.00 0.00 179.24 175.69 2kw9 h ASP 28 N -0.49 0.24 -2.24 6.45 3.32 -1.39 -3.44 116.42 118.87 2kw9 h ASP 28 Ca -0.04 -0.16 -0.57 0.00 0.02 0.00 0.00 57.03 56.27 2kw9 h ASP 28 Cb 0.37 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 39.88 2kw9 h ASP 28 CO 0.07 0.87 1.08 0.23 -1.72 0.00 0.00 179.24 179.76 2kw9 n MET 29 N -3.79 2.45 -1.22 3.56 2.81 0.50 -4.93 117.12 116.50 2kw9 n MET 29 Ca -0.03 0.89 -0.29 0.00 -1.81 0.00 0.00 57.70 56.47 2kw9 n MET 29 Cb 0.69 -2.76 0.15 0.00 -0.71 0.00 0.00 33.22 30.59 2kw9 n MET 29 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kw9 s LYS 30 N 3.29 0.93 0.14 0.03 1.02 -1.26 -4.63 119.74 119.25 2kw9 s LYS 30 Ca 0.87 0.66 -0.26 0.00 0.02 0.00 0.00 55.97 57.26 2kw9 s LYS 30 Cb -0.59 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2kw9 s LYS 30 CO 0.44 -2.42 1.60 0.28 -0.92 0.00 0.00 175.35 174.33 2kw9 h VAL 31 N -1.68 0.24 -0.97 3.17 2.07 -1.96 -0.09 116.25 117.04 2kw9 h VAL 31 Ca -0.52 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2kw9 h VAL 31 Cb 1.30 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2kw9 h VAL 31 CO 0.56 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.76 2kw9 h ALA 32 N 0.39 1.23 -0.43 1.67 0.00 -1.98 0.25 119.26 120.39 2kw9 h ALA 32 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kw9 h ALA 32 Cb 0.57 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kw9 h ALA 32 CO -0.39 0.65 0.24 0.93 0.00 0.00 0.00 179.25 180.68 2kw9 h GLU 33 N 1.32 0.47 -0.25 0.00 3.07 -1.68 0.79 114.58 118.30 2kw9 h GLU 33 Ca 0.35 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 2kw9 h GLU 33 Cb -0.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 2kw9 h GLU 33 CO -0.07 0.31 0.06 -0.07 -1.40 0.00 0.00 179.01 177.83 2kw9 h LEU 34 N 0.48 0.39 -1.97 1.33 3.38 -0.57 -2.92 115.31 115.43 2kw9 h LEU 34 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kw9 h LEU 34 Cb 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kw9 h LEU 34 CO -0.10 0.53 -0.04 0.11 0.09 0.00 0.00 178.44 179.03 2kw9 h LYS 35 N 0.23 0.00 -0.20 1.13 1.57 -0.70 -1.76 116.57 116.85 2kw9 h LYS 35 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2kw9 h LYS 35 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2kw9 h LYS 35 CO 0.00 0.04 0.10 0.37 -0.57 0.00 0.00 179.45 179.39 2kw9 h GLN 36 N 0.00 0.29 -0.42 3.15 5.75 -0.65 -0.82 115.11 122.41 2kw9 h GLN 36 Ca -0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2kw9 h GLN 36 Cb 0.08 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2kw9 h GLN 36 CO 0.01 0.32 0.22 0.93 -2.65 0.00 0.00 178.83 177.66 2kw9 h GLU 37 N 0.19 0.60 0.24 1.69 4.39 -1.37 -3.07 114.58 117.25 2kw9 h GLU 37 Ca 0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kw9 h GLU 37 Cb 0.13 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2kw9 h GLU 37 CO -0.01 0.50 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.05 2kw9 h LEU 38 N 0.55 -0.57 -1.18 1.33 3.38 -1.16 -2.77 115.31 114.89 2kw9 h LEU 38 Ca 0.15 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.24 2kw9 h LEU 38 Cb 0.08 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2kw9 h LEU 38 CO -0.02 -0.32 0.57 0.07 0.09 0.00 0.00 178.44 178.83 2kw9 h LYS 39 N -0.48 0.95 0.00 1.13 2.10 -1.18 0.13 116.57 119.22 2kw9 h LYS 39 Ca -0.01 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 2kw9 h LYS 39 Cb 0.44 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2kw9 h LYS 39 CO -0.04 0.63 -0.13 -0.07 -2.00 0.00 0.00 179.45 177.84 2kw9 h LEU 40 N 0.98 0.00 -3.04 7.07 3.38 -1.42 -2.65 115.31 119.63 2kw9 h LEU 40 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kw9 h LEU 40 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kw9 h LEU 40 CO -0.14 0.13 0.00 0.54 0.09 0.00 0.00 178.44 179.05 2kw9 n ARG 41 N -3.57 3.14 -1.67 1.13 1.74 0.24 -4.95 116.66 112.72 2kw9 n ARG 41 Ca -0.01 -2.53 -0.18 0.00 -0.77 0.00 0.00 57.85 54.35 2kw9 n ARG 41 Cb 0.26 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 2kw9 n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kw9 n SER 42 N 0.52 -5.19 -4.85 0.55 7.64 -0.59 -4.99 113.62 106.71 2kw9 n SER 42 Ca 0.19 0.37 -0.34 0.00 1.01 0.00 0.00 58.87 60.10 2kw9 n SER 42 Cb 0.69 -4.28 -0.06 0.00 -1.01 0.00 0.00 64.21 59.55 2kw9 n SER 42 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kw9 s LEU 43 N -4.31 4.21 -0.13 -3.43 1.43 0.01 -4.99 118.68 111.47 2kw9 s LEU 43 Ca 0.00 1.13 -0.33 0.00 -1.03 0.00 0.00 54.13 53.90 2kw9 s LEU 43 Cb 0.00 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 2kw9 s LEU 43 CO 0.00 -0.05 1.97 -2.65 0.23 0.00 0.00 176.35 175.86 2kw9 n PRO 44 N 0.18 2.05 0.07 1.29 -0.02 -1.26 -4.12 135.00 133.19 2kw9 n PRO 44 Ca -0.01 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 2kw9 n PRO 44 Cb 0.52 -2.72 -0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2kw9 n PRO 44 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2kw9 n VAL 45 N 5.78 0.41 -1.23 -1.45 0.24 -1.26 -4.46 118.33 116.36 2kw9 n VAL 45 Ca 0.26 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 2kw9 n VAL 45 Cb 0.31 -0.15 -0.12 0.00 -1.47 0.00 0.00 33.84 32.41 2kw9 n VAL 45 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kw9 n SER 46 N -2.41 5.88 -4.45 -1.34 7.64 -1.26 -4.87 113.62 112.80 2kw9 n SER 46 Ca 0.00 -2.79 -0.22 0.00 1.01 0.00 0.00 58.87 56.87 2kw9 n SER 46 Cb 0.52 -1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.27 2kw9 n SER 46 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kw9 s GLY 47 N 1.31 1.93 0.78 0.23 0.00 -1.26 -5.14 107.32 105.17 2kw9 s GLY 47 Ca 0.64 -1.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 2kw9 s GLY 47 CO -0.09 -1.87 1.10 -0.51 0.00 0.00 0.00 173.10 171.73 2kw9 s THR 48 N -2.99 3.08 0.20 0.90 -4.23 -1.26 -4.73 115.64 106.60 2kw9 s THR 48 Ca 0.31 0.35 -0.20 0.00 -1.18 0.00 0.00 61.69 60.97 2kw9 s THR 48 Cb 0.05 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.89 2kw9 s THR 48 CO 0.13 -0.46 1.58 0.50 -0.54 0.00 0.00 174.62 175.84 2kw9 h LYS 49 N -1.02 -0.12 -0.62 3.99 1.63 -1.99 0.22 116.57 118.65 2kw9 h LYS 49 Ca -0.47 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.32 2kw9 h LYS 49 Cb 1.27 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.90 2kw9 h LYS 49 CO 0.60 -0.08 0.32 1.15 -3.45 0.00 0.00 179.45 177.99 2kw9 h THR 50 N -0.13 1.21 -0.84 1.00 2.02 -1.99 -2.03 112.91 112.14 2kw9 h THR 50 Ca 0.26 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.94 2kw9 h THR 50 Cb 0.56 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 2kw9 h THR 50 CO -0.73 0.23 0.52 -0.33 0.37 0.00 0.00 175.52 175.59 2kw9 h GLU 51 N 0.85 0.94 -0.53 6.66 5.08 -1.38 -0.48 114.58 125.72 2kw9 h GLU 51 Ca 0.22 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2kw9 h GLU 51 Cb 0.08 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2kw9 h GLU 51 CO -0.03 0.62 0.18 -0.07 -1.00 0.00 0.00 179.01 178.71 2kw9 h LEU 52 N 0.97 0.75 0.13 1.33 3.38 -0.72 -0.68 115.31 120.46 2kw9 h LEU 52 Ca 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kw9 h LEU 52 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kw9 h LEU 52 CO -0.16 0.74 -0.06 0.40 0.09 0.00 0.00 178.44 179.45 2kw9 h ILE 53 N 0.72 1.00 -0.61 1.22 2.04 -0.84 -1.67 117.51 119.38 2kw9 h ILE 53 Ca 0.17 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2kw9 h ILE 53 Cb 0.24 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2kw9 h ILE 53 CO -0.01 0.13 0.35 -0.33 0.00 0.00 0.00 178.15 178.29 2kw9 h GLU 54 N -0.43 0.65 -0.44 2.37 5.08 -1.10 -1.24 114.58 119.46 2kw9 h GLU 54 Ca -0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2kw9 h GLU 54 Cb 0.35 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2kw9 h GLU 54 CO 0.03 0.43 0.21 -0.09 -1.00 0.00 0.00 179.01 178.59 2kw9 h ARG 55 N 0.67 0.41 -0.07 2.33 2.43 -1.05 0.19 114.38 119.28 2kw9 h ARG 55 Ca 0.26 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2kw9 h ARG 55 Cb 0.10 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2kw9 h ARG 55 CO -0.14 0.27 0.02 -0.07 -1.51 0.00 0.00 179.97 178.54 2kw9 h LEU 56 N 0.42 0.10 -0.92 3.80 3.38 -1.00 -0.39 115.31 120.69 2kw9 h LEU 56 Ca 0.19 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2kw9 h LEU 56 Cb 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kw9 h LEU 56 CO -0.15 0.26 0.08 0.03 0.09 0.00 0.00 178.44 178.76 2kw9 h ARG 57 N -0.07 0.87 -0.06 1.13 3.08 -0.99 -0.91 114.38 117.43 2kw9 h ARG 57 Ca 0.02 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.68 2kw9 h ARG 57 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kw9 h ARG 57 CO -0.00 0.82 -0.74 0.00 -1.07 0.00 0.00 179.97 178.98 2kw9 h ALA 58 N 1.26 0.60 0.46 0.04 0.00 -0.60 -0.69 119.26 120.33 2kw9 h ALA 58 Ca 0.17 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2kw9 h ALA 58 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kw9 h ALA 58 CO 0.01 0.78 -0.22 -0.92 0.00 0.00 0.00 179.25 178.89 2kw9 h TYR 59 N 0.24 -0.58 -0.86 0.00 3.20 -0.79 -2.57 116.97 115.61 2kw9 h TYR 59 Ca -0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.83 2kw9 h TYR 59 Cb 1.32 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 2kw9 h TYR 59 CO 0.04 -0.27 0.57 0.37 -1.64 0.00 0.00 178.16 177.24 2kw9 h GLN 60 N -0.84 1.13 0.22 1.82 5.75 -1.23 -2.55 115.11 119.42 2kw9 h GLN 60 Ca -0.06 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2kw9 h GLN 60 Cb 0.57 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2kw9 h GLN 60 CO 0.10 0.75 -0.37 0.22 -2.65 0.00 0.00 178.83 176.88 2kw9 h ASP 61 N 1.17 -1.05 0.62 -0.69 1.82 -1.10 -1.56 116.42 115.63 2kw9 h ASP 61 Ca 0.32 0.11 -0.14 0.00 -0.39 0.00 0.00 57.03 56.92 2kw9 h ASP 61 Cb -0.14 0.38 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 2kw9 h ASP 61 CO -0.07 -0.48 -0.65 0.06 -1.61 0.00 0.00 179.24 176.49 2kw9 h GLN 62 N -0.67 0.03 0.00 0.28 3.07 -1.35 -2.97 115.11 113.50 2kw9 h GLN 62 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2kw9 h GLN 62 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 2kw9 h GLN 62 CO -0.15 0.67 -0.09 -0.84 0.09 0.00 0.00 178.83 178.51 2kw9 h ILE 63 N 0.02 0.00 -3.30 1.86 3.07 -1.42 -3.45 117.51 114.30 2kw9 h ILE 63 Ca -0.01 -0.90 -0.57 0.00 1.55 0.00 0.00 64.86 64.94 2kw9 h ILE 63 Cb 1.15 1.85 -0.05 0.00 -0.27 0.00 0.00 36.82 39.50 2kw9 h ILE 63 CO 0.09 0.00 -0.00 -0.55 -1.05 0.00 0.00 178.15 176.63 2kw9 s SER 64 N -5.80 7.04 -0.12 2.16 0.15 -0.59 -5.04 113.70 111.49 2kw9 s SER 64 Ca 0.07 1.23 -0.29 0.00 0.70 0.00 0.00 55.95 57.66 2kw9 s SER 64 Cb 0.07 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 2kw9 s SER 64 CO 0.67 0.16 1.46 -2.16 1.20 0.00 0.00 173.24 174.57 2kw9 s PRO 65 N -0.52 4.17 0.11 5.44 0.04 -1.26 -4.92 135.00 138.06 2kw9 s PRO 65 Ca 0.31 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 62.93 2kw9 s PRO 65 Cb -0.19 -3.88 -0.10 0.00 0.04 0.00 0.00 34.50 30.36 2kw9 s PRO 65 CO 0.18 -0.82 1.85 0.14 0.04 0.00 0.00 177.00 178.40 2kw9 s VAL 66 N 3.87 2.61 -0.96 -0.36 -7.23 -1.26 -4.91 120.40 112.17 2kw9 s VAL 66 Ca 0.64 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.62 2kw9 s VAL 66 Cb -0.27 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2kw9 s VAL 66 CO 0.22 -0.00 1.49 -2.16 -0.31 0.00 0.00 175.10 174.35 2kw9 s PRO 67 N 3.01 3.39 -0.94 4.82 0.04 -1.26 -4.00 135.00 140.05 2kw9 s PRO 67 Ca 0.82 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2kw9 s PRO 67 Cb -0.45 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 28.96 2kw9 s PRO 67 CO 0.37 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.47 2kw9 n GLY 68 N 6.64 0.94 3.75 0.56 0.00 -1.26 -4.97 105.19 110.85 2kw9 n GLY 68 Ca 0.29 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2kw9 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw9 s ALA 69 N -1.97 3.36 -0.89 4.61 0.00 -1.26 -4.95 121.76 120.67 2kw9 s ALA 69 Ca 0.00 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 2kw9 s ALA 69 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2kw9 s ALA 69 CO 0.00 0.03 2.02 -1.25 0.00 0.00 0.00 175.76 176.56 2kw9 s PRO 70 N -1.15 2.40 0.31 0.00 0.04 -1.26 -4.74 135.00 130.60 2kw9 s PRO 70 Ca 0.43 -0.18 0.19 0.00 0.04 0.00 0.00 61.00 61.49 2kw9 s PRO 70 Cb -0.28 -5.02 0.14 0.00 0.04 0.00 0.00 34.50 29.37 2kw9 s PRO 70 CO 0.35 -3.55 1.38 -0.22 0.04 0.00 0.00 177.00 175.00 2kw9 h LYS 71 N 11.49 0.00 -4.01 4.56 3.64 -1.99 -3.42 116.57 126.84 2kw9 h LYS 71 Ca 0.08 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.74 2kw9 h LYS 71 Cb 1.00 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.51 2kw9 h LYS 71 CO 1.18 0.22 -0.32 0.00 -2.27 0.00 0.00 179.45 178.26 2kw9 s ALA 72 N -3.11 3.55 0.81 5.00 0.00 -1.26 -5.08 121.76 121.67 2kw9 s ALA 72 Ca 0.04 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.09 2kw9 s ALA 72 Cb 0.07 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2kw9 s ALA 72 CO 0.73 -2.02 0.00 -0.35 0.00 0.00 0.00 175.76 174.12 2kw9 n PRO 73 N 4.25 0.57 -3.96 0.00 -0.04 -1.26 -5.14 135.00 129.43 2kw9 n PRO 73 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2kw9 n PRO 73 Cb 0.41 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.88 2kw9 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kw9 s ALA 74 N -3.62 -2.15 -2.00 0.55 0.00 -1.26 -5.27 121.76 108.02 2kw9 s ALA 74 Ca 0.00 -0.13 0.26 0.00 0.00 0.00 0.00 51.96 52.10 2kw9 s ALA 74 Cb 0.00 0.86 1.57 0.00 0.00 0.00 0.00 23.12 25.55 2kw9 s ALA 74 CO 0.00 -1.12 1.92 0.00 0.00 0.00 0.00 175.76 176.56