#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl h PRO 2 N 0.00 0.18 0.00 1.61 0.13 -2.08 -3.48 132.00 128.36 2kwl h PRO 2 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kwl h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kwl h PRO 2 CO 0.00 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2kwl n GLY 3 N 0.21 0.41 2.45 1.56 0.00 -1.26 -4.98 105.19 103.57 2kwl n GLY 3 Ca -0.07 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwl n SER 4 N 1.93 2.10 -3.82 1.61 3.41 -1.26 -4.90 113.62 112.69 2kwl n SER 4 Ca 0.00 -3.23 -0.12 0.00 -0.26 0.00 0.00 58.87 55.25 2kwl n SER 4 Cb 0.16 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 2kwl n SER 4 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2kwl s MET 5 N -2.72 1.54 0.29 4.33 -1.94 -1.26 -5.03 119.30 114.50 2kwl s MET 5 Ca 0.43 -1.58 0.02 0.00 -1.71 0.00 0.00 55.69 52.85 2kwl s MET 5 Cb 0.31 0.38 0.60 0.00 2.01 0.00 0.00 34.83 38.13 2kwl s MET 5 CO -0.10 -0.59 1.82 -0.44 -0.01 0.00 0.00 175.02 175.70 2kwl h ASP 6 N 2.34 0.88 -0.86 3.03 3.32 -1.97 -0.04 116.42 123.11 2kwl h ASP 6 Ca -0.30 0.06 0.08 0.00 0.02 0.00 0.00 57.03 56.89 2kwl h ASP 6 Cb 1.25 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 2kwl h ASP 6 CO 0.42 0.43 0.56 -0.55 -1.72 0.00 0.00 179.24 178.39 2kwl h ASN 7 N 0.93 0.81 0.29 6.45 7.08 -1.80 0.32 115.58 129.66 2kwl h ASN 7 Ca 0.52 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.75 2kwl h ASN 7 Cb 0.60 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 2kwl h ASN 7 CO -0.30 0.50 0.00 0.47 -2.08 0.00 0.00 177.43 176.02 2kwl n ASP 8 N -4.50 0.00 -0.06 6.14 8.00 -0.05 -3.03 116.55 123.04 2kwl n ASP 8 Ca 0.14 -0.43 -0.03 0.00 0.71 0.00 0.00 54.79 55.18 2kwl n ASP 8 Cb 0.25 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kwl n GLU 9 N -1.17 1.11 0.14 -1.24 2.13 0.98 -3.91 120.64 118.68 2kwl n GLU 9 Ca 0.16 -0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 2kwl n GLU 9 Cb 0.16 -1.42 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kwl h ILE 10 N 0.00 0.64 0.00 6.31 2.04 -1.04 0.25 117.51 125.71 2kwl h ILE 10 Ca -0.32 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 2kwl h ILE 10 Cb 1.68 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2kwl h ILE 10 CO 0.02 0.13 -0.33 2.19 0.00 0.00 0.00 178.15 180.16 2kwl h PHE 11 N -0.85 0.00 0.02 1.37 -0.00 -1.81 -1.63 116.94 114.04 2kwl h PHE 11 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.84 2kwl h PHE 11 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.48 2kwl h PHE 11 CO 0.04 0.33 -0.36 0.66 -0.00 0.00 0.00 178.31 178.98 2kwl h SER 12 N 0.00 0.28 0.19 -0.68 4.64 -1.67 -2.15 113.55 114.17 2kwl h SER 12 Ca -0.00 -0.82 -0.01 0.00 -0.47 0.00 0.00 61.79 60.49 2kwl h SER 12 Cb 0.62 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2kwl h SER 12 CO 0.04 1.07 -0.09 0.50 -0.87 0.00 0.00 176.83 177.48 2kwl h LYS 13 N -0.47 -0.24 -0.72 4.77 1.63 -0.42 0.13 116.57 121.26 2kwl h LYS 13 Ca -0.05 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2kwl h LYS 13 Cb 1.14 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 2kwl h LYS 13 CO 0.07 -0.09 0.37 0.28 -3.45 0.00 0.00 179.45 176.63 2kwl h VAL 14 N -0.33 1.22 -0.14 2.00 2.07 -1.43 -2.17 116.25 117.47 2kwl h VAL 14 Ca -0.03 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 2kwl h VAL 14 Cb 0.26 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2kwl h VAL 14 CO 0.04 0.25 -0.35 -0.09 0.02 0.00 0.00 177.57 177.44 2kwl h ARG 15 N 1.00 0.30 0.00 1.57 1.12 -1.17 -2.55 114.38 114.65 2kwl h ARG 15 Ca 0.25 -0.13 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 2kwl h ARG 15 Cb 0.06 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.01 2kwl h ARG 15 CO -0.04 0.62 -0.06 1.03 -3.11 0.00 0.00 179.97 178.41 2kwl h SER 16 N 0.26 0.00 0.14 -3.80 0.87 -0.29 0.49 113.55 111.22 2kwl h SER 16 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2kwl h SER 16 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2kwl h SER 16 CO 0.06 0.06 -0.07 0.40 -0.53 0.00 0.00 176.83 176.75 2kwl h ILE 17 N 0.00 0.89 0.00 2.23 2.04 -1.37 -3.32 117.51 117.97 2kwl h ILE 17 Ca -0.00 -1.19 -0.16 0.00 1.00 0.00 0.00 64.86 64.51 2kwl h ILE 17 Cb 0.22 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2kwl h ILE 17 CO 0.01 0.24 -0.76 0.16 0.00 0.00 0.00 178.15 177.79 2kwl h ILE 18 N -0.86 1.53 -1.06 -0.67 3.07 -1.54 -3.18 117.51 114.81 2kwl h ILE 18 Ca -0.02 -2.63 0.31 0.00 1.55 0.00 0.00 64.86 64.07 2kwl h ILE 18 Cb 0.53 2.42 -0.04 0.00 -0.27 0.00 0.00 36.82 39.46 2kwl h ILE 18 CO 0.03 0.75 0.77 -1.28 -1.05 0.00 0.00 178.15 177.37 2kwl h SER 19 N 0.00 0.00 -0.44 2.16 0.87 -0.11 0.52 113.55 116.55 2kwl h SER 19 Ca -0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2kwl h SER 19 Cb 1.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 2kwl h SER 19 CO 0.10 0.00 0.09 -0.08 -0.53 0.00 0.00 176.83 176.41 2kwl h GLU 20 N 0.00 0.72 0.00 2.24 4.81 -1.65 0.44 114.58 121.14 2kwl h GLU 20 Ca 0.50 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2kwl h GLU 20 Cb 2.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 2kwl h GLU 20 CO -0.01 0.74 -0.53 1.96 -0.73 0.00 0.00 179.01 180.44 2kwl h GLN 21 N 0.59 0.00 -0.15 1.92 1.08 -0.70 -3.35 115.11 114.49 2kwl h GLN 21 Ca 0.14 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2kwl h GLN 21 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2kwl h GLN 21 CO 0.01 0.67 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.47 2kwl h LEU 22 N -1.00 0.19 1.68 1.46 4.07 -0.26 -3.46 115.31 117.99 2kwl h LEU 22 Ca -0.12 -0.02 -0.40 0.00 0.08 0.00 0.00 57.88 57.42 2kwl h LEU 22 Cb 0.87 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.45 2kwl h LEU 22 CO -0.08 0.25 -0.41 0.47 -1.08 0.00 0.00 178.44 177.59 2kwl n ASP 23 N -4.39 -5.30 -4.44 -0.43 8.00 0.15 -4.96 116.55 105.18 2kwl n ASP 23 Ca -0.01 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.64 2kwl n ASP 23 Cb 0.17 -4.61 0.07 0.00 -0.02 0.00 0.00 41.12 36.74 2kwl n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kwl n LYS 24 N -2.53 0.48 -4.03 -1.24 5.02 -1.25 -5.05 118.16 109.55 2kwl n LYS 24 Ca -0.21 -2.59 -0.24 0.00 -2.02 0.00 0.00 58.31 53.25 2kwl n LYS 24 Cb 0.65 -0.31 -0.04 0.00 -0.02 0.00 0.00 35.03 35.32 2kwl n LYS 24 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kwl s LYS 25 N -4.39 3.17 0.35 1.97 3.01 -1.26 -4.86 119.74 117.74 2kwl s LYS 25 Ca 0.54 -0.82 0.26 0.00 -1.01 0.00 0.00 55.97 54.94 2kwl s LYS 25 Cb -0.04 -2.77 1.23 0.00 -1.01 0.00 0.00 37.83 35.24 2kwl s LYS 25 CO 0.35 0.46 1.79 1.05 0.51 0.00 0.00 175.35 179.51 2kwl h GLU 26 N 1.82 0.00 -0.16 1.68 9.09 -1.98 -1.74 114.58 123.30 2kwl h GLU 26 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2kwl h GLU 26 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 2kwl h GLU 26 CO 0.63 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.22 2kwl n ASP 27 N -2.43 0.47 0.22 3.06 2.03 -1.26 -3.57 116.55 115.07 2kwl n ASP 27 Ca 0.00 -2.01 0.14 0.00 0.52 0.00 0.00 54.79 53.45 2kwl n ASP 27 Cb 0.16 -0.09 0.44 0.00 -0.72 0.00 0.00 41.12 40.90 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2kwl h GLU 28 N 0.39 0.00 -5.82 -0.67 4.81 -1.72 -3.44 114.58 108.13 2kwl h GLU 28 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 2kwl h GLU 28 Cb 0.15 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2kwl h GLU 28 CO 0.00 0.00 1.45 -0.89 -0.73 0.00 0.00 179.01 178.85 2kwl n ILE 29 N -2.91 0.08 -3.69 2.32 2.08 -1.23 -4.79 119.36 111.21 2kwl n ILE 29 Ca 0.03 -0.17 -0.04 0.00 0.56 0.00 0.00 62.75 63.13 2kwl n ILE 29 Cb 0.40 -1.16 -0.01 0.00 -0.75 0.00 0.00 39.64 38.12 2kwl n ILE 29 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2kwl s THR 30 N 7.46 0.00 -1.14 1.39 -1.32 -1.26 -4.95 115.64 115.82 2kwl s THR 30 Ca 1.16 -0.49 0.29 0.00 -1.21 0.00 0.00 61.69 61.44 2kwl s THR 30 Cb -1.09 -1.80 0.33 0.00 -1.51 0.00 0.00 72.50 68.43 2kwl s THR 30 CO 0.53 0.00 1.96 0.35 -2.21 0.00 0.00 174.62 175.25 2kwl n THR 31 N -0.43 0.00 -1.12 5.08 -2.24 -1.26 -3.22 114.28 111.09 2kwl n THR 31 Ca -0.07 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2kwl n THR 31 Cb 0.61 -0.48 0.26 0.00 -2.10 0.00 0.00 70.33 68.62 2kwl n THR 31 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kwl n ASP 32 N -1.42 4.39 0.00 3.42 2.03 -1.26 -4.40 116.55 119.30 2kwl n ASP 32 Ca 0.09 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 52.03 2kwl n ASP 32 Cb 0.31 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kwl n SER 33 N -0.52 0.01 -1.16 1.67 3.41 -1.20 -5.01 113.62 110.82 2kwl n SER 33 Ca 0.47 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 2kwl n SER 33 Cb 1.46 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.39 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kwl n ARG 34 N -2.89 -1.68 0.21 4.33 1.74 -1.26 -1.42 116.66 115.70 2kwl n ARG 34 Ca 0.00 1.11 0.06 0.00 -0.77 0.00 0.00 57.85 58.24 2kwl n ARG 34 Cb 0.38 -2.05 0.47 0.00 -1.02 0.00 0.00 32.46 30.24 2kwl n ARG 34 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2kwl h PHE 35 N -0.77 0.00 -0.05 -1.55 0.04 -1.90 0.26 116.94 112.97 2kwl h PHE 35 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kwl h PHE 35 Cb 0.76 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.91 2kwl h PHE 35 CO 0.00 0.27 0.03 -0.39 -0.60 0.00 0.00 178.31 177.61 2kwl h VAL 36 N 0.00 1.08 0.00 -0.55 -1.51 -1.68 0.26 116.25 113.85 2kwl h VAL 36 Ca -0.00 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.21 2kwl h VAL 36 Cb 0.52 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2kwl h VAL 36 CO 0.03 0.07 -0.37 -0.33 -1.23 0.00 0.00 177.57 175.74 2kwl h GLU 37 N -0.02 0.00 -0.52 5.19 4.39 -1.09 -3.39 114.58 119.15 2kwl h GLU 37 Ca 0.02 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.77 2kwl h GLU 37 Cb 0.08 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 2kwl h GLU 37 CO -0.00 0.24 0.25 0.22 -1.16 0.00 0.00 179.01 178.55 2kwl h ASP 38 N -1.00 0.33 -0.55 1.42 1.82 -0.57 -3.44 116.42 114.44 2kwl h ASP 38 Ca -0.05 0.04 -0.57 0.00 -0.39 0.00 0.00 57.03 56.06 2kwl h ASP 38 Cb 0.48 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2kwl h ASP 38 CO -0.03 0.23 -0.27 -0.76 -1.61 0.00 0.00 179.24 176.80 2kwl s LEU 39 N -10.30 2.72 -0.44 2.28 1.43 0.91 -5.01 118.68 110.28 2kwl s LEU 39 Ca -0.13 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 2kwl s LEU 39 Cb 0.14 -1.21 0.45 0.00 0.03 0.00 0.00 46.19 45.60 2kwl s LEU 39 CO 0.74 -1.16 1.49 -3.20 0.23 0.00 0.00 176.35 174.44 2kwl n ASN 40 N -1.84 5.90 -3.61 2.29 5.15 -1.23 -4.24 115.26 117.68 2kwl n ASN 40 Ca 0.00 -3.76 -0.10 0.00 -0.60 0.00 0.00 54.58 50.12 2kwl n ASN 40 Cb 0.64 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 39.28 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kwl s ALA 41 N -3.69 -1.18 0.37 5.20 0.00 -1.25 -5.08 121.76 116.14 2kwl s ALA 41 Ca 0.55 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 2kwl s ALA 41 Cb 0.44 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 2kwl s ALA 41 CO -0.00 -0.76 0.64 -0.51 0.00 0.00 0.00 175.76 175.13 2kwl s ASP 42 N -2.82 6.36 0.56 0.00 1.01 -1.26 -3.56 116.67 116.96 2kwl s ASP 42 Ca 0.05 0.75 0.32 0.00 0.71 0.00 0.00 52.55 54.38 2kwl s ASP 42 Cb -0.01 -2.16 1.46 0.00 1.01 0.00 0.00 42.92 43.22 2kwl s ASP 42 CO -0.08 -0.36 1.83 -1.28 0.21 0.00 0.00 175.17 175.50 2kwl h SER 43 N 0.97 0.00 -0.50 0.27 0.87 -1.97 -0.39 113.55 112.80 2kwl h SER 43 Ca -0.48 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.18 2kwl h SER 43 Cb 1.20 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.08 2kwl h SER 43 CO 0.63 0.00 -0.02 0.17 -0.53 0.00 0.00 176.83 177.09 2kwl h LEU 44 N 0.00 -0.25 0.00 2.23 8.10 -2.01 0.33 115.31 123.72 2kwl h LEU 44 Ca 0.39 0.12 -0.06 0.00 0.11 0.00 0.00 57.88 58.44 2kwl h LEU 44 Cb 1.74 0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 42.17 2kwl h LEU 44 CO -0.00 -0.09 -0.33 -0.78 -4.11 0.00 0.00 178.44 173.13 2kwl h ASP 45 N 0.10 0.00 0.98 0.17 3.58 -1.46 -3.21 116.42 116.57 2kwl h ASP 45 Ca 0.25 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 2kwl h ASP 45 Cb 0.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2kwl h ASP 45 CO -0.43 0.30 -0.44 0.40 -2.88 0.00 0.00 179.24 176.19 2kwl h ILE 46 N 0.00 0.94 -0.12 2.25 1.08 -0.69 -3.09 117.51 117.88 2kwl h ILE 46 Ca -0.01 -1.79 0.05 0.00 -0.39 0.00 0.00 64.86 62.72 2kwl h ILE 46 Cb 1.24 2.09 -0.06 0.00 -3.07 0.00 0.00 36.82 37.01 2kwl h ILE 46 CO 0.04 0.43 -0.32 0.22 -0.69 0.00 0.00 178.15 177.83 2kwl h TYR 47 N 0.00 -0.88 0.00 1.37 3.20 -0.43 -0.70 116.97 119.53 2kwl h TYR 47 Ca -0.00 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2kwl h TYR 47 Cb 1.05 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2kwl h TYR 47 CO 0.00 -0.40 -0.48 0.93 -1.64 0.00 0.00 178.16 176.58 2kwl h GLU 48 N -0.40 0.00 0.89 1.82 4.39 -1.76 -1.58 114.58 117.94 2kwl h GLU 48 Ca 0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2kwl h GLU 48 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kwl h GLU 48 CO -0.34 0.48 -0.49 1.25 -1.16 0.00 0.00 179.01 178.74 2kwl h LEU 49 N 0.00 -1.20 -0.54 1.33 5.85 -1.15 -0.94 115.31 118.66 2kwl h LEU 49 Ca -0.00 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 2kwl h LEU 49 Cb 0.98 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2kwl h LEU 49 CO 0.06 -0.79 -0.54 0.17 -0.34 0.00 0.00 178.44 177.01 2kwl h LEU 50 N -1.28 0.60 -0.45 2.25 8.10 -1.24 -1.55 115.31 121.74 2kwl h LEU 50 Ca -0.12 -0.31 0.07 0.00 0.11 0.00 0.00 57.88 57.62 2kwl h LEU 50 Cb 1.00 -0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 40.99 2kwl h LEU 50 CO 0.16 1.02 0.11 0.22 -4.11 0.00 0.00 178.44 175.84 2kwl h TYR 51 N 0.42 0.19 0.00 0.17 3.20 -1.22 0.20 116.97 119.93 2kwl h TYR 51 Ca 0.01 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2kwl h TYR 51 Cb 1.07 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2kwl h TYR 51 CO 0.04 0.04 -0.65 -0.07 -1.64 0.00 0.00 178.16 175.88 2kwl h LEU 52 N 0.26 0.00 0.11 2.82 4.07 -1.15 -2.98 115.31 118.44 2kwl h LEU 52 Ca 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 2kwl h LEU 52 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2kwl h LEU 52 CO -0.27 0.65 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.62 2kwl h LEU 53 N 0.00 -0.13 -1.34 1.67 4.07 -0.33 -3.03 115.31 116.22 2kwl h LEU 53 Ca -0.01 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 57.60 2kwl h LEU 53 Cb 1.44 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 2kwl h LEU 53 CO 0.08 0.26 -0.02 1.05 -1.08 0.00 0.00 178.44 178.73 2kwl h GLU 54 N -0.53 0.42 0.00 1.13 -0.00 -0.74 -1.43 114.58 113.42 2kwl h GLU 54 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 2kwl h GLU 54 Cb 0.43 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.11 2kwl h GLU 54 CO 0.03 0.46 0.00 1.49 -0.00 0.00 0.00 179.01 180.99 2kwl h GLU 55 N 0.41 0.00 0.00 1.06 4.57 -1.46 -0.81 114.58 118.35 2kwl h GLU 55 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2kwl h GLU 55 Cb 0.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2kwl h GLU 55 CO 0.01 0.00 -0.87 0.00 -1.18 0.00 0.00 179.01 176.97 2kwl h ALA 56 N 2.08 0.57 -0.39 2.92 0.00 -1.14 -3.31 119.26 119.99 2kwl h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kwl h ALA 56 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kwl h ALA 56 CO 0.00 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.46 2kwl n PHE 57 N -2.74 0.51 -3.42 0.00 3.72 -0.39 -5.01 117.46 110.13 2kwl n PHE 57 Ca 0.00 -0.37 -0.12 0.00 -0.05 0.00 0.00 57.45 56.91 2kwl n PHE 57 Cb 0.55 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2kwl n PHE 57 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kwl n ASP 58 N 0.98 -6.37 -3.64 4.37 2.03 -0.72 -5.01 116.55 108.20 2kwl n ASP 58 Ca 0.15 -0.51 -0.04 0.00 0.52 0.00 0.00 54.79 54.91 2kwl n ASP 58 Cb 0.48 -3.58 -0.07 0.00 -0.72 0.00 0.00 41.12 37.24 2kwl n ASP 58 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kwl s ASP 59 N -3.01 -0.71 0.18 1.67 1.01 -1.15 -5.06 116.67 109.61 2kwl s ASP 59 Ca 0.01 1.12 -0.30 0.00 0.71 0.00 0.00 52.55 54.09 2kwl s ASP 59 Cb -0.00 1.33 -0.09 0.00 1.01 0.00 0.00 42.92 45.16 2kwl s ASP 59 CO 0.82 -0.18 1.34 -0.54 0.21 0.00 0.00 175.17 176.83 2kwl s LYS 60 N 1.54 4.36 -0.01 8.23 -0.14 -1.26 -4.53 119.74 127.92 2kwl s LYS 60 Ca -0.09 2.08 -0.23 0.00 -1.36 0.00 0.00 55.97 56.37 2kwl s LYS 60 Cb -0.04 -3.20 -0.14 0.00 -1.68 0.00 0.00 37.83 32.76 2kwl s LYS 60 CO -0.17 -0.32 1.02 0.82 -0.76 0.00 0.00 175.35 175.94 2kwl h ILE 61 N 3.86 0.39 0.00 2.17 1.08 -1.95 0.34 117.51 123.40 2kwl h ILE 61 Ca -0.44 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2kwl h ILE 61 Cb 1.21 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2kwl h ILE 61 CO 0.80 0.08 0.00 -0.81 -0.69 0.00 0.00 178.15 177.52 2kwl n PRO 62 N -5.18 0.35 -0.01 2.37 -0.04 -1.26 0.34 135.00 131.57 2kwl n PRO 62 Ca -0.09 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2kwl n PRO 62 Cb 0.28 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 2kwl n PRO 62 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kwl n GLU 63 N -1.15 0.11 0.12 0.54 2.13 -1.17 -4.41 120.64 116.81 2kwl n GLU 63 Ca 0.09 0.04 -0.06 0.00 0.66 0.00 0.00 57.16 57.90 2kwl n GLU 63 Cb 0.09 -0.55 -0.03 0.00 0.27 0.00 0.00 31.44 31.22 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2kwl h ASN 64 N -0.21 -0.32 -0.60 4.31 -1.24 -0.42 -3.20 115.58 113.91 2kwl h ASN 64 Ca 0.00 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.09 2kwl h ASN 64 Cb 0.21 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 2kwl h ASN 64 CO 0.00 0.09 0.29 -0.33 -1.29 0.00 0.00 177.43 176.19 2kwl h GLU 65 N -1.00 0.52 -0.28 6.67 3.07 -1.22 0.08 114.58 122.42 2kwl h GLU 65 Ca -0.04 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.87 2kwl h GLU 65 Cb 0.29 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2kwl h GLU 65 CO 0.06 0.34 0.43 0.00 -1.40 0.00 0.00 179.01 178.44 2kwl h ALA 66 N 1.35 1.88 -0.40 3.43 0.00 -0.24 0.11 119.26 125.39 2kwl h ALA 66 Ca 0.28 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2kwl h ALA 66 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kwl h ALA 66 CO -0.22 -0.57 0.36 -0.97 0.00 0.00 0.00 179.25 177.85 2kwl h ASN 67 N 0.00 0.00 -0.06 0.00 -0.00 -0.96 -3.18 115.58 111.38 2kwl h ASN 67 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.25 2kwl h ASN 67 Cb 0.99 0.00 -0.19 0.00 -0.00 0.00 0.00 38.32 39.12 2kwl h ASN 67 CO -0.00 0.00 -0.39 1.21 -0.00 0.00 0.00 177.43 178.25 2kwl n GLU 68 N -3.99 1.42 -3.80 6.67 2.13 0.18 -5.14 120.64 118.10 2kwl n GLU 68 Ca 0.07 -1.54 -0.27 0.00 0.66 0.00 0.00 57.16 56.08 2kwl n GLU 68 Cb 0.54 0.14 -0.03 0.00 0.27 0.00 0.00 31.44 32.36 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kwl s PHE 69 N -0.43 3.48 0.48 4.31 5.36 -0.09 -4.94 117.98 126.15 2kwl s PHE 69 Ca 0.12 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.33 2kwl s PHE 69 Cb 0.43 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 2kwl s PHE 69 CO -0.12 0.44 0.00 -1.91 -1.46 0.00 0.00 175.22 172.17 2kwl n GLU 70 N -0.63 0.00 -3.56 10.12 4.07 -1.26 -4.95 120.64 124.42 2kwl n GLU 70 Ca -0.06 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.92 2kwl n GLU 70 Cb 0.54 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.88 2kwl n GLU 70 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2kwl n THR 71 N -3.48 0.00 -0.34 6.31 -2.24 -1.26 -5.03 114.28 108.24 2kwl n THR 71 Ca 0.00 -1.56 0.16 0.00 -2.27 0.00 0.00 64.05 60.37 2kwl n THR 71 Cb 0.00 0.90 0.37 0.00 -2.10 0.00 0.00 70.33 69.50 2kwl n THR 71 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kwl h VAL 72 N 1.82 0.62 -0.64 2.28 2.07 -1.89 -0.82 116.25 119.69 2kwl h VAL 72 Ca -0.21 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.22 2kwl h VAL 72 Cb 0.94 -0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 2kwl h VAL 72 CO 0.28 0.12 0.08 1.23 0.02 0.00 0.00 177.57 179.30 2kwl h GLY 73 N 0.65 0.77 1.01 2.17 0.00 -1.93 0.34 103.07 106.08 2kwl h GLY 73 Ca 0.60 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.98 2kwl h GLY 73 CO -0.41 -0.17 0.60 -0.55 0.00 0.00 0.00 176.54 176.01 2kwl h ASP 74 N 0.20 1.00 -0.36 0.19 5.19 -1.51 -2.43 116.42 118.69 2kwl h ASP 74 Ca 0.34 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 2kwl h ASP 74 Cb 0.54 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2kwl h ASP 74 CO -0.48 0.69 0.15 0.58 -3.12 0.00 0.00 179.24 177.06 2kwl h VAL 75 N 1.16 1.19 -0.45 -1.35 2.07 -0.92 0.24 116.25 118.19 2kwl h VAL 75 Ca 0.36 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.40 2kwl h VAL 75 Cb -0.02 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2kwl h VAL 75 CO -0.10 0.20 -0.01 0.58 0.02 0.00 0.00 177.57 178.26 2kwl h VAL 76 N 0.44 0.64 0.00 2.57 2.07 -0.80 0.13 116.25 121.30 2kwl h VAL 76 Ca 0.12 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2kwl h VAL 76 Cb 0.18 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2kwl h VAL 76 CO -0.01 0.02 -0.15 0.78 0.02 0.00 0.00 177.57 178.23 2kwl h ASN 77 N 0.10 0.00 0.39 0.57 2.35 -1.37 -2.32 115.58 115.30 2kwl h ASN 77 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2kwl h ASN 77 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2kwl h ASN 77 CO -0.39 0.15 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.09 2kwl h PHE 78 N 0.00 -0.49 0.00 1.19 -1.00 0.12 -3.00 116.94 113.75 2kwl h PHE 78 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2kwl h PHE 78 Cb 0.86 0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 2kwl h PHE 78 CO 0.00 -0.31 -0.05 0.82 -1.61 0.00 0.00 178.31 177.16 2kwl h ILE 79 N -1.10 0.21 0.24 -0.55 2.04 -0.95 0.27 117.51 117.66 2kwl h ILE 79 Ca -0.05 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2kwl h ILE 79 Cb 0.41 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2kwl h ILE 79 CO 0.09 0.05 -0.12 0.11 0.00 0.00 0.00 178.15 178.28 2kwl h LYS 80 N 0.00 -0.31 0.13 2.37 1.57 -1.46 -2.34 116.57 116.53 2kwl h LYS 80 Ca -0.00 0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.53 2kwl h LYS 80 Cb 0.34 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2kwl h LYS 80 CO 0.01 -0.04 -1.24 1.57 -0.57 0.00 0.00 179.45 179.17 2kwl h LYS 81 N -0.56 0.29 -0.60 3.15 5.09 -1.38 0.14 116.57 122.69 2kwl h LYS 81 Ca -0.03 -0.48 0.09 0.00 0.09 0.00 0.00 60.65 60.31 2kwl h LYS 81 Cb 0.41 0.18 -0.07 0.00 0.10 0.00 0.00 32.23 32.85 2kwl h LYS 81 CO 0.05 1.23 0.23 0.00 -2.09 0.00 0.00 179.45 178.87 2kwl h ARG 82 N 0.08 0.40 0.09 0.07 3.08 -0.99 -3.10 114.38 114.02 2kwl h ARG 82 Ca -0.14 -0.02 -0.36 0.00 0.07 0.00 0.00 59.98 59.53 2kwl h ARG 82 Cb 1.96 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 2kwl h ARG 82 CO 0.21 0.26 -2.01 1.17 -1.07 0.00 0.00 179.97 178.53 2kwl n LYS 83 N -4.99 0.72 0.00 0.04 4.81 -0.88 -5.07 118.16 112.79 2kwl n LYS 83 Ca 0.08 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 2kwl n LYS 83 Cb 0.26 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98