#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 0.47 -1.19 1.61 0.13 -2.11 -3.47 132.00 127.45 2kwl h PRO 2 Ca 0.00 -0.25 -0.36 0.00 -0.87 0.00 0.00 66.00 64.52 2kwl h PRO 2 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 2kwl h PRO 2 CO 0.00 0.82 -0.35 0.41 -0.23 0.00 0.00 178.00 178.65 2kwl n GLY 3 N 0.18 1.29 3.13 1.56 0.00 -1.26 -4.94 105.19 105.15 2kwl n GLY 3 Ca -0.05 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2kwl n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwl s SER 4 N -2.69 5.63 0.02 1.61 0.01 -1.26 -4.81 113.70 112.22 2kwl s SER 4 Ca 0.00 -3.08 -0.29 0.00 1.31 0.00 0.00 55.95 53.89 2kwl s SER 4 Cb 0.00 -1.91 0.11 0.00 0.21 0.00 0.00 66.02 64.42 2kwl s SER 4 CO 0.00 -0.34 1.22 0.00 0.41 0.00 0.00 173.24 174.53 2kwl s MET 5 N -0.40 0.58 0.67 12.44 0.23 -1.26 -5.00 119.30 126.56 2kwl s MET 5 Ca 0.20 -0.33 0.45 0.00 -1.03 0.00 0.00 55.69 54.97 2kwl s MET 5 Cb -0.16 0.19 2.44 0.00 -1.53 0.00 0.00 34.83 35.77 2kwl s MET 5 CO -0.06 -0.27 2.38 0.38 -2.03 0.00 0.00 175.02 175.41 2kwl h ASP 6 N 2.00 0.00 -0.62 -1.18 3.04 -1.98 -2.51 116.42 115.17 2kwl h ASP 6 Ca -0.28 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.61 2kwl h ASP 6 Cb 1.21 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.42 2kwl h ASP 6 CO 0.29 0.00 0.19 -1.13 -2.04 0.00 0.00 179.24 176.55 2kwl h ASN 7 N 0.00 0.13 -0.31 4.15 -1.24 -1.94 0.32 115.58 116.68 2kwl h ASN 7 Ca -0.00 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2kwl h ASN 7 Cb 0.00 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2kwl h ASN 7 CO 0.00 0.07 0.00 0.47 -1.29 0.00 0.00 177.43 176.68 2kwl n ASP 8 N -5.06 1.78 -0.05 1.15 8.00 -0.95 -3.68 116.55 117.75 2kwl n ASP 8 Ca 0.09 -1.96 -0.01 0.00 0.71 0.00 0.00 54.79 53.62 2kwl n ASP 8 Cb 0.31 -0.21 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl n GLU 9 N 0.46 1.06 0.32 -1.24 1.02 0.97 -3.96 120.64 119.26 2kwl n GLU 9 Ca 0.12 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 2kwl n GLU 9 Cb 0.29 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2kwl h ILE 10 N 0.00 0.42 -0.08 -3.67 2.04 -1.22 0.25 117.51 115.26 2kwl h ILE 10 Ca -0.26 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 2kwl h ILE 10 Cb 1.52 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2kwl h ILE 10 CO 0.01 0.00 -0.47 2.19 0.00 0.00 0.00 178.15 179.89 2kwl h PHE 11 N -0.80 0.22 -0.19 1.37 -0.00 -1.81 -1.68 116.94 114.05 2kwl h PHE 11 Ca -0.08 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.97 57.79 2kwl h PHE 11 Cb 0.61 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 36.51 2kwl h PHE 11 CO -0.03 0.62 -0.04 1.03 -0.00 0.00 0.00 178.31 179.89 2kwl h SER 12 N 0.15 0.36 -0.28 -0.68 0.87 -1.65 0.21 113.55 112.53 2kwl h SER 12 Ca 0.01 -0.36 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 2kwl h SER 12 Cb 0.88 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2kwl h SER 12 CO 0.07 0.63 -0.09 0.50 -0.53 0.00 0.00 176.83 177.41 2kwl h LYS 13 N 0.08 0.55 -0.21 2.24 3.64 -0.46 0.79 116.57 123.20 2kwl h LYS 13 Ca 0.05 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 2kwl h LYS 13 Cb 0.47 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2kwl h LYS 13 CO 0.02 0.77 0.02 0.28 -2.27 0.00 0.00 179.45 178.26 2kwl h VAL 14 N 0.30 1.24 -0.01 2.00 2.07 -1.31 -2.91 116.25 117.63 2kwl h VAL 14 Ca 0.07 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2kwl h VAL 14 Cb 0.58 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2kwl h VAL 14 CO 0.03 0.25 -0.39 -0.09 0.02 0.00 0.00 177.57 177.39 2kwl h ARG 15 N 0.14 0.02 0.00 1.57 1.12 -0.59 -2.49 114.38 114.16 2kwl h ARG 15 Ca 0.06 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2kwl h ARG 15 Cb 0.36 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2kwl h ARG 15 CO 0.01 0.41 -0.07 1.03 -3.11 0.00 0.00 179.97 178.23 2kwl h SER 16 N 0.02 0.00 0.07 -3.80 0.87 -0.64 0.42 113.55 110.49 2kwl h SER 16 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kwl h SER 16 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kwl h SER 16 CO 0.05 0.07 -0.03 0.40 -0.53 0.00 0.00 176.83 176.79 2kwl h ILE 17 N 0.00 1.03 -0.02 2.23 2.04 -1.33 -3.33 117.51 118.13 2kwl h ILE 17 Ca -0.00 -1.52 -0.13 0.00 1.00 0.00 0.00 64.86 64.21 2kwl h ILE 17 Cb 0.23 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2kwl h ILE 17 CO 0.01 0.31 -0.59 0.16 0.00 0.00 0.00 178.15 178.04 2kwl h ILE 18 N -0.92 1.41 -0.88 -0.67 3.07 -1.52 -3.05 117.51 114.95 2kwl h ILE 18 Ca -0.01 -2.00 0.25 0.00 1.55 0.00 0.00 64.86 64.65 2kwl h ILE 18 Cb 0.58 2.06 -0.04 0.00 -0.27 0.00 0.00 36.82 39.15 2kwl h ILE 18 CO 0.02 0.57 0.63 -1.28 -1.05 0.00 0.00 178.15 177.04 2kwl h SER 19 N 0.04 0.05 -0.23 2.16 0.87 -0.26 0.41 113.55 116.59 2kwl h SER 19 Ca -0.01 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2kwl h SER 19 Cb 1.05 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2kwl h SER 19 CO 0.08 0.02 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.07 2kwl h GLU 20 N 0.05 0.70 0.00 2.24 4.81 -1.64 0.37 114.58 121.12 2kwl h GLU 20 Ca 0.43 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2kwl h GLU 20 Cb 1.62 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 2kwl h GLU 20 CO -0.03 0.89 -0.43 1.96 -0.73 0.00 0.00 179.01 180.66 2kwl h GLN 21 N 0.61 0.00 0.00 1.92 1.08 -0.55 -3.33 115.11 114.84 2kwl h GLN 21 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2kwl h GLN 21 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2kwl h GLN 21 CO 0.06 0.53 0.00 1.28 -0.95 0.00 0.00 178.83 179.75 2kwl n LEU 22 N -4.61 0.06 -2.28 1.46 7.99 0.84 -4.85 117.00 115.62 2kwl n LEU 22 Ca -0.13 0.51 -0.14 0.00 -0.01 0.00 0.00 56.01 56.25 2kwl n LEU 22 Cb 0.37 -0.51 -0.01 0.00 -0.11 0.00 0.00 43.42 43.16 2kwl n LEU 22 CO 0.17 -0.27 -0.17 0.47 -1.51 0.00 0.00 177.39 176.08 2kwl n ASP 23 N -1.56 -4.11 -4.41 -1.43 8.00 0.13 -4.94 116.55 108.22 2kwl n ASP 23 Ca 0.03 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 2kwl n ASP 23 Cb 0.18 -3.53 -0.10 0.00 -0.02 0.00 0.00 41.12 37.65 2kwl n ASP 23 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kwl s LYS 24 N -4.75 1.50 0.57 -1.24 -0.14 -1.12 -5.02 119.74 109.55 2kwl s LYS 24 Ca 0.00 -1.63 0.08 0.00 -1.36 0.00 0.00 55.97 53.06 2kwl s LYS 24 Cb 0.00 -1.55 0.08 0.00 -1.68 0.00 0.00 37.83 34.68 2kwl s LYS 24 CO 0.00 0.29 0.68 1.63 -0.76 0.00 0.00 175.35 177.19 2kwl n LYS 25 N -0.28 0.63 0.25 1.68 4.01 -1.26 -4.31 118.16 118.89 2kwl n LYS 25 Ca -0.08 -3.21 0.17 0.00 -0.51 0.00 0.00 58.31 54.68 2kwl n LYS 25 Cb 0.59 -0.05 0.89 0.00 -0.51 0.00 0.00 35.03 35.94 2kwl n LYS 25 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2kwl h GLU 26 N 0.00 0.00 -0.01 1.97 -0.00 -1.96 -1.96 114.58 112.62 2kwl h GLU 26 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 2kwl h GLU 26 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2kwl h GLU 26 CO 0.43 0.00 0.14 -0.44 -0.00 0.00 0.00 179.01 179.14 2kwl h ASP 27 N 0.00 0.00 1.48 3.06 3.32 -2.04 0.25 116.42 122.49 2kwl h ASP 27 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kwl h ASP 27 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kwl h ASP 27 CO 0.00 0.00 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.13 2kwl h GLU 28 N 0.00 0.00 -5.44 3.56 4.39 -1.75 -3.43 114.58 111.91 2kwl h GLU 28 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 2kwl h GLU 28 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2kwl h GLU 28 CO -0.00 0.06 1.65 -0.89 -1.16 0.00 0.00 179.01 178.67 2kwl n ILE 29 N -3.14 -0.06 -3.65 3.13 2.08 0.86 -4.73 119.36 113.85 2kwl n ILE 29 Ca 0.02 -0.59 -0.05 0.00 0.56 0.00 0.00 62.75 62.69 2kwl n ILE 29 Cb 0.45 -2.19 -0.02 0.00 -0.75 0.00 0.00 39.64 37.13 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 11.42 0.00 -1.08 1.39 -1.32 -1.26 -4.90 115.64 119.89 2kwl s THR 30 Ca 1.08 -0.39 0.29 0.00 -1.21 0.00 0.00 61.69 61.46 2kwl s THR 30 Cb -0.45 -1.61 0.28 0.00 -1.51 0.00 0.00 72.50 69.21 2kwl s THR 30 CO 0.32 0.00 1.93 0.35 -2.21 0.00 0.00 174.62 175.01 2kwl n THR 31 N -0.38 0.00 -0.56 5.08 -2.24 -1.26 -3.16 114.28 111.75 2kwl n THR 31 Ca -0.07 -0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 2kwl n THR 31 Cb 0.61 -0.47 0.32 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.46 4.81 0.01 3.42 2.03 -1.26 -4.32 116.55 119.78 2kwl n ASP 32 Ca 0.08 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.60 2kwl n ASP 32 Cb 0.32 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kwl n SER 33 N 0.44 0.05 -1.13 1.67 7.64 -1.19 -5.01 113.62 116.09 2kwl n SER 33 Ca 0.24 0.02 0.08 0.00 1.01 0.00 0.00 58.87 60.22 2kwl n SER 33 Cb 1.05 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kwl n ARG 34 N -2.90 -1.25 0.10 1.43 1.74 -1.24 -1.50 116.66 113.04 2kwl n ARG 34 Ca 0.00 0.82 -0.01 0.00 -0.77 0.00 0.00 57.85 57.89 2kwl n ARG 34 Cb 0.33 -1.52 0.26 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.57 0.26 -0.14 -1.55 0.04 -1.90 0.22 116.94 113.29 2kwl h PHE 35 Ca 0.01 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.74 2kwl h PHE 35 Cb 0.56 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 2kwl h PHE 35 CO 0.00 0.57 0.04 -0.39 -0.60 0.00 0.00 178.31 177.92 2kwl h VAL 36 N 0.20 0.95 0.00 -0.55 -1.51 -1.69 0.26 116.25 113.91 2kwl h VAL 36 Ca 0.02 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.43 2kwl h VAL 36 Cb 0.74 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2kwl h VAL 36 CO 0.06 0.02 -0.29 -0.08 -1.23 0.00 0.00 177.57 176.05 2kwl h GLU 37 N 0.10 0.00 0.54 5.19 4.57 -1.19 -3.41 114.58 120.38 2kwl h GLU 37 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2kwl h GLU 37 Cb 0.05 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2kwl h GLU 37 CO -0.08 0.34 -0.26 0.22 -1.18 0.00 0.00 179.01 178.06 2kwl h ASP 38 N -1.00 -0.61 -4.38 1.04 1.82 -0.64 -3.45 116.42 109.21 2kwl h ASP 38 Ca -0.05 0.02 -0.46 0.00 -0.39 0.00 0.00 57.03 56.15 2kwl h ASP 38 Cb 0.50 0.16 0.12 0.00 0.68 0.00 0.00 39.33 40.79 2kwl h ASP 38 CO -0.03 -0.43 0.35 -0.22 -1.61 0.00 0.00 179.24 177.30 2kwl s LEU 39 N -7.28 2.22 -0.50 2.28 0.20 0.91 -4.95 118.68 111.57 2kwl s LEU 39 Ca -0.11 0.85 0.03 0.00 0.69 0.00 0.00 54.13 55.59 2kwl s LEU 39 Cb 0.01 -3.22 0.53 0.00 -0.43 0.00 0.00 46.19 43.07 2kwl s LEU 39 CO 0.32 -2.32 1.81 -3.20 -0.29 0.00 0.00 176.35 172.67 2kwl n ASN 40 N -3.60 5.34 -1.67 3.68 5.15 -1.25 -4.38 115.26 118.54 2kwl n ASN 40 Ca 0.08 -3.73 -0.02 0.00 -0.60 0.00 0.00 54.58 50.30 2kwl n ASN 40 Cb 0.60 -0.81 0.01 0.00 -0.53 0.00 0.00 39.78 39.05 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kwl n ALA 41 N -1.00 -0.71 -2.24 5.20 0.00 -1.26 -5.10 120.51 115.41 2kwl n ALA 41 Ca 0.55 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 2kwl n ALA 41 Cb 1.06 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.78 2kwl n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kwl s ASP 42 N -1.75 4.99 0.60 0.00 1.01 -1.26 -3.45 116.67 116.81 2kwl s ASP 42 Ca 0.06 -0.82 0.28 0.00 0.71 0.00 0.00 52.55 52.79 2kwl s ASP 42 Cb -0.01 -0.42 1.44 0.00 1.01 0.00 0.00 42.92 44.94 2kwl s ASP 42 CO 0.03 -0.73 1.85 -1.28 0.21 0.00 0.00 175.17 175.25 2kwl h SER 43 N 0.97 0.00 -0.40 0.27 0.87 -1.97 -1.33 113.55 111.95 2kwl h SER 43 Ca -0.40 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.24 2kwl h SER 43 Cb 1.27 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.15 2kwl h SER 43 CO 0.57 0.00 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.65 2kwl h LEU 44 N 0.00 -0.54 0.00 2.23 3.38 -2.01 0.26 115.31 118.63 2kwl h LEU 44 Ca 0.19 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2kwl h LEU 44 Cb 1.22 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2kwl h LEU 44 CO -0.00 -0.19 -0.11 -0.78 0.09 0.00 0.00 178.44 177.45 2kwl h ASP 45 N -0.07 0.00 0.71 -0.43 1.82 -1.64 -3.21 116.42 113.60 2kwl h ASP 45 Ca 0.20 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.71 2kwl h ASP 45 Cb 0.37 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 2kwl h ASP 45 CO -0.45 0.11 -0.61 0.40 -1.61 0.00 0.00 179.24 177.08 2kwl h ILE 46 N 0.00 1.36 -0.24 2.25 1.08 -0.84 -3.07 117.51 118.05 2kwl h ILE 46 Ca -0.00 -2.14 0.06 0.00 -0.39 0.00 0.00 64.86 62.38 2kwl h ILE 46 Cb 1.08 2.18 -0.07 0.00 -3.07 0.00 0.00 36.82 36.94 2kwl h ILE 46 CO 0.01 0.60 -0.31 0.22 -0.69 0.00 0.00 178.15 177.98 2kwl h TYR 47 N 0.00 -0.85 -0.34 1.37 5.03 -0.58 -0.89 116.97 120.71 2kwl h TYR 47 Ca -0.01 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 2kwl h TYR 47 Cb 1.13 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.81 2kwl h TYR 47 CO 0.00 -0.38 -0.31 0.93 -1.32 0.00 0.00 178.16 177.08 2kwl h GLU 48 N -0.32 0.74 0.15 1.82 5.08 -1.76 -0.66 114.58 119.63 2kwl h GLU 48 Ca 0.13 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2kwl h GLU 48 Cb 0.53 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2kwl h GLU 48 CO -0.42 0.95 -0.51 1.25 -1.00 0.00 0.00 179.01 179.28 2kwl h LEU 49 N 0.63 -1.52 -0.26 1.33 5.85 -1.21 0.27 115.31 120.39 2kwl h LEU 49 Ca 0.07 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2kwl h LEU 49 Cb 0.84 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2kwl h LEU 49 CO 0.07 -0.55 -0.18 0.17 -0.34 0.00 0.00 178.44 177.62 2kwl h LEU 50 N -0.75 0.60 -0.76 2.25 8.10 -1.24 -1.66 115.31 121.85 2kwl h LEU 50 Ca -0.01 -0.44 0.15 0.00 0.11 0.00 0.00 57.88 57.69 2kwl h LEU 50 Cb 0.74 -0.17 -0.10 0.00 -0.44 0.00 0.00 40.66 40.70 2kwl h LEU 50 CO -0.26 0.91 0.29 0.22 -4.11 0.00 0.00 178.44 175.49 2kwl h TYR 51 N 0.30 0.49 0.00 0.17 3.20 -0.90 0.26 116.97 120.48 2kwl h TYR 51 Ca 0.05 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 2kwl h TYR 51 Cb 0.71 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2kwl h TYR 51 CO 0.07 0.04 -0.60 -0.07 -1.64 0.00 0.00 178.16 175.95 2kwl h LEU 52 N 0.42 0.00 0.06 2.82 4.07 -0.43 -2.45 115.31 119.80 2kwl h LEU 52 Ca 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 2kwl h LEU 52 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2kwl h LEU 52 CO -0.43 0.60 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.44 2kwl h LEU 53 N 0.00 -0.06 -0.63 1.67 4.07 0.20 -2.95 115.31 117.60 2kwl h LEU 53 Ca -0.01 -0.42 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 2kwl h LEU 53 Cb 1.31 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 2kwl h LEU 53 CO 0.08 0.41 -0.05 1.05 -1.08 0.00 0.00 178.44 178.84 2kwl h GLU 54 N -0.55 1.02 -0.11 1.13 -0.00 -0.71 -2.52 114.58 112.83 2kwl h GLU 54 Ca -0.01 -0.35 0.03 0.00 -0.00 0.00 0.00 59.36 59.04 2kwl h GLU 54 Cb 0.48 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.15 2kwl h GLU 54 CO 0.01 1.03 0.14 1.49 -0.00 0.00 0.00 179.01 181.68 2kwl h GLU 55 N 0.92 0.00 0.00 1.06 4.81 -1.48 0.35 114.58 120.25 2kwl h GLU 55 Ca 0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2kwl h GLU 55 Cb 0.61 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2kwl h GLU 55 CO 0.04 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.22 2kwl h ALA 56 N 1.83 0.94 -0.06 2.92 0.00 -1.27 -3.22 119.26 120.41 2kwl h ALA 56 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kwl h ALA 56 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kwl h ALA 56 CO -0.00 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2kwl n PHE 57 N -3.11 0.06 -2.94 0.00 3.72 0.68 -5.03 117.46 110.84 2kwl n PHE 57 Ca 0.04 -0.05 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2kwl n PHE 57 Cb 0.56 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.69 -7.84 -3.52 4.37 2.03 0.89 -5.06 116.55 108.12 2kwl n ASP 58 Ca 0.08 0.25 -0.09 0.00 0.52 0.00 0.00 54.79 55.55 2kwl n ASP 58 Cb 0.32 -5.32 -0.02 0.00 -0.72 0.00 0.00 41.12 35.38 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 -2.78 -0.40 -0.23 1.67 1.01 -1.10 -5.02 116.67 109.81 2kwl s ASP 59 Ca 0.13 -0.07 -0.11 0.00 0.71 0.00 0.00 52.55 53.21 2kwl s ASP 59 Cb -0.04 0.47 -0.05 0.00 1.01 0.00 0.00 42.92 44.32 2kwl s ASP 59 CO 0.75 -0.79 0.16 -0.54 0.21 0.00 0.00 175.17 174.97 2kwl s LYS 60 N -3.36 4.10 -0.06 8.23 1.02 -1.26 -4.38 119.74 124.02 2kwl s LYS 60 Ca 0.05 -0.24 -0.14 0.00 0.02 0.00 0.00 55.97 55.66 2kwl s LYS 60 Cb -0.01 -3.52 -0.10 0.00 -0.52 0.00 0.00 37.83 33.68 2kwl s LYS 60 CO -0.08 0.10 0.55 0.82 -0.92 0.00 0.00 175.35 175.82 2kwl h ILE 61 N 4.96 0.38 0.00 2.17 1.08 -1.95 0.74 117.51 124.89 2kwl h ILE 61 Ca -0.38 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2kwl h ILE 61 Cb 1.17 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2kwl h ILE 61 CO 0.68 0.11 0.00 -0.81 -0.69 0.00 0.00 178.15 177.43 2kwl n PRO 62 N -4.95 0.37 -0.01 2.37 -0.04 -1.26 0.83 135.00 132.31 2kwl n PRO 62 Ca -0.06 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 2kwl n PRO 62 Cb 0.19 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.13 0.10 0.01 0.54 0.00 -1.23 -4.48 120.64 114.46 2kwl n GLU 63 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 57.16 57.28 2kwl n GLU 63 Cb 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 31.44 30.99 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kwl h ASN 64 N -0.20 -0.10 -0.02 4.31 2.35 -0.96 -3.31 115.58 117.65 2kwl h ASN 64 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2kwl h ASN 64 Cb 0.20 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2kwl h ASN 64 CO 0.00 0.31 0.06 -0.33 -1.65 0.00 0.00 177.43 175.81 2kwl h GLU 65 N -0.86 0.00 0.00 0.81 5.08 -0.93 0.95 114.58 119.62 2kwl h GLU 65 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kwl h GLU 65 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kwl h GLU 65 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2kwl n ALA 66 N -2.14 1.70 0.28 3.43 0.00 0.24 -2.04 120.51 121.99 2kwl n ALA 66 Ca -0.02 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.52 2kwl n ALA 66 Cb 0.13 -1.24 0.82 0.00 0.00 0.00 0.00 19.45 19.16 2kwl n ALA 66 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2kwl h ASN 67 N 0.00 0.00 -0.00 0.00 -0.00 -0.92 -3.31 115.58 111.35 2kwl h ASN 67 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 2kwl h ASN 67 Cb 0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.42 2kwl h ASN 67 CO 0.00 0.07 -0.30 1.21 -0.00 0.00 0.00 177.43 178.41 2kwl n GLU 68 N -3.44 1.32 -3.72 4.14 4.07 -1.07 -5.14 120.64 116.80 2kwl n GLU 68 Ca -0.02 -1.42 -0.30 0.00 -0.06 0.00 0.00 57.16 55.37 2kwl n GLU 68 Cb 0.21 0.27 -0.04 0.00 -0.06 0.00 0.00 31.44 31.82 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2kwl s PHE 69 N 0.13 3.48 0.42 4.31 5.36 -0.86 -4.90 117.98 125.92 2kwl s PHE 69 Ca 0.13 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 2kwl s PHE 69 Cb 0.43 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2kwl s PHE 69 CO -0.12 0.43 0.00 -1.91 -1.46 0.00 0.00 175.22 172.16 2kwl n GLU 70 N -0.23 0.00 -3.47 10.12 4.07 -1.26 -5.00 120.64 124.87 2kwl n GLU 70 Ca -0.04 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.94 2kwl n GLU 70 Cb 0.53 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.87 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 -3.41 0.00 -0.35 6.31 -2.24 -1.26 -5.01 114.28 108.33 2kwl n THR 71 Ca 0.00 -1.51 0.14 0.00 -2.27 0.00 0.00 64.05 60.41 2kwl n THR 71 Cb 0.00 0.85 0.34 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.77 0.66 -1.01 2.28 2.07 -1.87 0.06 116.25 120.21 2kwl h VAL 72 Ca -0.19 -0.24 0.24 0.00 0.82 0.00 0.00 66.70 67.32 2kwl h VAL 72 Cb 0.88 -0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 2kwl h VAL 72 CO 0.27 0.13 0.61 1.23 0.02 0.00 0.00 177.57 179.83 2kwl h GLY 73 N 0.71 1.73 0.83 2.17 0.00 -1.91 0.65 103.07 107.25 2kwl h GLY 73 Ca 0.60 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2kwl h GLY 73 CO -0.41 -0.18 -0.01 -0.55 0.00 0.00 0.00 176.54 175.40 2kwl h ASP 74 N 0.59 0.37 -0.79 0.19 5.19 -1.33 -2.88 116.42 117.77 2kwl h ASP 74 Ca 0.62 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.68 2kwl h ASP 74 Cb 1.20 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 2kwl h ASP 74 CO -0.41 0.60 0.38 0.58 -3.12 0.00 0.00 179.24 177.27 2kwl h VAL 75 N 0.14 1.25 -0.08 -1.35 2.07 -1.04 0.14 116.25 117.38 2kwl h VAL 75 Ca 0.06 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.91 2kwl h VAL 75 Cb 0.41 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2kwl h VAL 75 CO 0.01 0.30 -0.12 0.58 0.02 0.00 0.00 177.57 178.36 2kwl h VAL 76 N 1.13 0.67 0.00 2.57 2.07 -0.86 0.24 116.25 122.08 2kwl h VAL 76 Ca 0.27 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.70 2kwl h VAL 76 Cb 0.12 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kwl h VAL 76 CO -0.03 0.00 -0.46 -0.55 0.02 0.00 0.00 177.57 176.55 2kwl h ASN 77 N -0.17 0.00 0.51 0.57 7.08 -1.33 -2.96 115.58 119.28 2kwl h ASN 77 Ca 0.07 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.27 2kwl h ASN 77 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.52 2kwl h ASN 77 CO -0.18 0.46 -0.24 -0.26 -2.08 0.00 0.00 177.43 175.12 2kwl h PHE 78 N 0.00 -0.63 -0.06 4.14 -1.00 -0.03 -1.97 116.94 117.39 2kwl h PHE 78 Ca -0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.78 2kwl h PHE 78 Cb 1.10 0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.86 2kwl h PHE 78 CO 0.00 -0.39 0.13 0.82 -1.61 0.00 0.00 178.31 177.26 2kwl h ILE 79 N -1.14 0.21 0.12 -0.55 2.04 -0.64 0.18 117.51 117.73 2kwl h ILE 79 Ca -0.07 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 2kwl h ILE 79 Cb 0.52 0.88 0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2kwl h ILE 79 CO 0.11 0.00 -1.24 0.11 0.00 0.00 0.00 178.15 177.14 2kwl h LYS 80 N 0.00 0.63 0.00 2.37 1.57 -1.47 -2.05 116.57 117.62 2kwl h LYS 80 Ca 0.03 -0.84 -0.12 0.00 -1.87 0.00 0.00 60.65 57.86 2kwl h LYS 80 Cb 0.29 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2kwl h LYS 80 CO -0.00 1.38 -0.58 1.57 -0.57 0.00 0.00 179.45 181.25 2kwl h LYS 81 N 0.27 0.00 0.00 3.15 2.10 -0.36 0.22 116.57 121.95 2kwl h LYS 81 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2kwl h LYS 81 Cb 1.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 2kwl h LYS 81 CO 0.24 0.53 -0.44 2.89 -2.00 0.00 0.00 179.45 180.67 2kwl n ARG 82 N -3.22 0.11 -0.07 0.07 1.85 0.50 -4.22 116.66 111.68 2kwl n ARG 82 Ca 0.01 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.79 2kwl n ARG 82 Cb 0.76 -1.58 -0.06 0.00 -1.05 0.00 0.00 32.46 30.53 2kwl n ARG 82 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kwl n LYS 83 N -1.74 0.33 0.00 2.89 3.00 -0.77 -5.04 118.16 116.82 2kwl n LYS 83 Ca 0.05 0.10 0.08 0.00 -0.00 0.00 0.00 58.31 58.54 2kwl n LYS 83 Cb 0.37 -1.18 0.07 0.00 0.00 0.00 0.00 35.03 34.29 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81