#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 0.32 0.00 1.61 0.13 -2.04 -3.48 132.00 128.54 2kwl h PRO 2 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kwl h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2kwl h PRO 2 CO 0.00 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2kwl n GLY 3 N 0.20 2.29 1.53 1.56 0.00 -1.26 -5.07 105.19 104.44 2kwl n GLY 3 Ca -0.06 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kwl n SER 4 N 0.20 -0.74 -4.56 1.61 2.88 -1.26 -4.85 113.62 106.89 2kwl n SER 4 Ca 0.00 -0.98 -0.23 0.00 -1.33 0.00 0.00 58.87 56.33 2kwl n SER 4 Cb 0.00 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 62.98 2kwl n SER 4 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2kwl s MET 5 N -4.12 2.21 0.20 -1.46 -1.94 -1.26 -4.78 119.30 108.15 2kwl s MET 5 Ca 0.30 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2kwl s MET 5 Cb -0.02 -4.89 0.00 0.00 2.01 0.00 0.00 34.83 31.93 2kwl s MET 5 CO 0.22 -3.70 0.02 -0.40 -0.01 0.00 0.00 175.02 171.15 2kwl n ASP 6 N 15.61 2.45 -0.32 3.03 5.75 -1.26 -4.96 116.55 136.86 2kwl n ASP 6 Ca 0.41 -1.86 0.04 0.00 -0.01 0.00 0.00 54.79 53.37 2kwl n ASP 6 Cb 0.46 0.12 0.19 0.00 -1.03 0.00 0.00 41.12 40.87 2kwl n ASP 6 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kwl h ASN 7 N 0.45 0.77 0.41 -1.12 -1.07 -1.85 0.35 115.58 113.51 2kwl h ASN 7 Ca -0.16 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.25 2kwl h ASN 7 Cb 0.50 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 2kwl h ASN 7 CO 0.27 0.43 0.00 -0.67 0.07 0.00 0.00 177.43 177.53 2kwl n ASP 8 N -4.70 0.40 -0.06 6.14 2.03 -1.26 -1.91 116.55 117.20 2kwl n ASP 8 Ca 0.15 0.63 -0.03 0.00 0.52 0.00 0.00 54.79 56.07 2kwl n ASP 8 Cb 0.30 -0.70 -0.15 0.00 -0.72 0.00 0.00 41.12 39.84 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kwl n GLU 9 N -1.98 0.67 0.18 -0.67 -0.58 0.11 -3.60 120.64 114.77 2kwl n GLU 9 Ca 0.01 -0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 2kwl n GLU 9 Cb 0.14 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.37 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2kwl h ILE 10 N 0.00 0.61 -0.02 -3.67 2.04 -0.44 0.26 117.51 116.29 2kwl h ILE 10 Ca -0.33 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 2kwl h ILE 10 Cb 1.80 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2kwl h ILE 10 CO 0.02 0.10 -0.47 2.19 0.00 0.00 0.00 178.15 179.99 2kwl h PHE 11 N -0.81 0.06 -0.10 1.37 -0.00 -1.75 -1.54 116.94 114.16 2kwl h PHE 11 Ca -0.05 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.97 57.74 2kwl h PHE 11 Cb 0.52 -0.01 0.01 0.00 -0.00 0.00 0.00 35.95 36.47 2kwl h PHE 11 CO 0.02 0.51 -0.60 0.77 -0.00 0.00 0.00 178.31 179.01 2kwl h SER 12 N 0.04 0.71 0.08 -0.68 0.02 -1.61 -1.73 113.55 110.37 2kwl h SER 12 Ca -0.00 -0.65 -0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2kwl h SER 12 Cb 0.85 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2kwl h SER 12 CO 0.06 1.25 -0.04 0.50 -1.14 0.00 0.00 176.83 177.46 2kwl h LYS 13 N 0.22 -0.10 -0.76 3.45 3.64 -0.40 -0.97 116.57 121.64 2kwl h LYS 13 Ca -0.05 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kwl h LYS 13 Cb 1.25 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 2kwl h LYS 13 CO 0.12 0.26 0.46 0.28 -2.27 0.00 0.00 179.45 178.31 2kwl h VAL 14 N -0.49 1.21 -0.29 2.00 2.07 -1.38 -2.64 116.25 116.72 2kwl h VAL 14 Ca -0.01 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 2kwl h VAL 14 Cb 0.42 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2kwl h VAL 14 CO 0.02 0.22 -0.09 -0.09 0.02 0.00 0.00 177.57 177.64 2kwl h ARG 15 N 1.05 0.58 -0.29 1.57 9.65 -1.27 -2.77 114.38 122.89 2kwl h ARG 15 Ca 0.27 -0.23 0.08 0.00 -1.10 0.00 0.00 59.98 59.01 2kwl h ARG 15 Cb -0.05 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2kwl h ARG 15 CO -0.05 0.79 0.35 1.03 2.80 0.00 0.00 179.97 184.88 2kwl h SER 16 N 0.33 0.00 0.32 -3.80 0.87 -0.81 0.37 113.55 110.84 2kwl h SER 16 Ca 0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2kwl h SER 16 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kwl h SER 16 CO 0.03 0.00 -0.15 0.40 -0.53 0.00 0.00 176.83 176.58 2kwl h ILE 17 N 0.00 0.66 0.00 2.23 2.04 -1.34 -3.24 117.51 117.87 2kwl h ILE 17 Ca 0.14 -0.59 -0.18 0.00 1.00 0.00 0.00 64.86 65.23 2kwl h ILE 17 Cb 0.83 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2kwl h ILE 17 CO -0.00 0.11 -0.83 0.16 0.00 0.00 0.00 178.15 177.59 2kwl h ILE 18 N -0.78 1.56 -0.87 -0.67 3.07 -1.39 -3.19 117.51 115.25 2kwl h ILE 18 Ca -0.04 -2.74 0.25 0.00 1.55 0.00 0.00 64.86 63.88 2kwl h ILE 18 Cb 0.51 2.49 -0.03 0.00 -0.27 0.00 0.00 36.82 39.52 2kwl h ILE 18 CO 0.07 0.79 0.70 0.28 -1.05 0.00 0.00 178.15 178.94 2kwl h SER 19 N 0.03 0.00 0.41 2.16 0.02 -0.34 0.51 113.55 116.34 2kwl h SER 19 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2kwl h SER 19 Cb 1.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 2kwl h SER 19 CO 0.11 0.00 -0.35 -0.08 -1.14 0.00 0.00 176.83 175.37 2kwl h GLU 20 N 0.00 -0.74 0.07 3.45 4.81 -1.57 0.59 114.58 121.18 2kwl h GLU 20 Ca 0.41 0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.47 2kwl h GLU 20 Cb 1.81 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 2kwl h GLU 20 CO -0.00 -0.49 -1.13 0.37 -0.73 0.00 0.00 179.01 177.02 2kwl h GLN 21 N -0.76 0.14 0.00 1.92 5.75 -1.42 -3.34 115.11 117.40 2kwl h GLN 21 Ca -0.04 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 2kwl h GLN 21 Cb 0.67 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 2kwl h GLN 21 CO -0.02 1.12 -0.05 -0.07 -2.65 0.00 0.00 178.83 177.15 2kwl h LEU 22 N -0.59 0.00 2.29 -2.39 4.07 -0.12 -3.45 115.31 115.12 2kwl h LEU 22 Ca -0.26 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.43 2kwl h LEU 22 Cb 1.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.24 2kwl h LEU 22 CO -0.02 0.05 -0.35 -0.67 -1.08 0.00 0.00 178.44 176.37 2kwl n ASP 23 N -4.20 -3.93 -5.00 -0.43 2.03 0.21 -4.94 116.55 100.28 2kwl n ASP 23 Ca -0.03 0.11 -0.19 0.00 0.52 0.00 0.00 54.79 55.20 2kwl n ASP 23 Cb 0.13 -3.32 0.05 0.00 -0.72 0.00 0.00 41.12 37.27 2kwl n ASP 23 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kwl s LYS 24 N -5.16 2.37 -0.05 -0.67 -0.14 -1.25 -5.06 119.74 109.78 2kwl s LYS 24 Ca 0.06 -1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 53.13 2kwl s LYS 24 Cb -0.03 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 2kwl s LYS 24 CO 0.07 -0.78 0.10 0.15 -0.76 0.00 0.00 175.35 174.13 2kwl s LYS 25 N -4.64 3.22 0.45 1.68 3.01 -1.26 -4.82 119.74 117.38 2kwl s LYS 25 Ca 0.61 -0.35 0.31 0.00 -1.01 0.00 0.00 55.97 55.53 2kwl s LYS 25 Cb -0.07 -2.98 1.45 0.00 -1.01 0.00 0.00 37.83 35.22 2kwl s LYS 25 CO 0.38 0.70 1.93 1.05 0.51 0.00 0.00 175.35 179.92 2kwl h GLU 26 N 4.47 0.00 -0.29 1.68 9.09 -1.97 -1.46 114.58 126.10 2kwl h GLU 26 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 2kwl h GLU 26 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2kwl h GLU 26 CO 0.61 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.20 2kwl n ASP 27 N -2.68 1.27 0.00 3.06 2.03 -1.26 -3.80 116.55 115.18 2kwl n ASP 27 Ca -0.00 -2.03 0.12 0.00 0.52 0.00 0.00 54.79 53.40 2kwl n ASP 27 Cb 0.18 -0.19 0.61 0.00 -0.72 0.00 0.00 41.12 41.00 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kwl n GLU 28 N 0.13 0.36 -1.46 -0.67 -0.58 -0.55 -4.81 120.64 113.06 2kwl n GLU 28 Ca 0.07 0.06 -0.47 0.00 -0.42 0.00 0.00 57.16 56.40 2kwl n GLU 28 Cb 0.22 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 2kwl n GLU 28 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kwl n ILE 29 N -1.27 0.11 -3.50 -3.67 2.08 -1.25 -4.81 119.36 107.04 2kwl n ILE 29 Ca 0.12 -0.30 -0.08 0.00 0.56 0.00 0.00 62.75 63.04 2kwl n ILE 29 Cb 0.18 -1.62 -0.02 0.00 -0.75 0.00 0.00 39.64 37.43 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 8.31 0.00 -1.04 1.39 -1.32 -1.26 -4.94 115.64 116.79 2kwl s THR 30 Ca 1.12 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.89 2kwl s THR 30 Cb -0.83 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 69.42 2kwl s THR 30 CO 0.46 0.00 1.94 0.35 -2.21 0.00 0.00 174.62 175.16 2kwl n THR 31 N -0.22 0.00 -0.17 5.08 -2.24 -1.26 -3.06 114.28 112.41 2kwl n THR 31 Ca -0.09 -0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 2kwl n THR 31 Cb 0.62 -0.49 0.29 0.00 -2.10 0.00 0.00 70.33 68.64 2kwl n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kwl n ASP 32 N -1.48 3.94 0.01 3.42 9.92 -1.26 -4.32 116.55 126.77 2kwl n ASP 32 Ca 0.08 -2.40 -0.00 0.00 -0.53 0.00 0.00 54.79 51.94 2kwl n ASP 32 Cb 0.33 -0.53 -0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kwl n SER 33 N 0.78 0.29 -1.02 -2.24 7.64 -1.17 -5.00 113.62 112.91 2kwl n SER 33 Ca 0.20 0.04 0.05 0.00 1.01 0.00 0.00 58.87 60.17 2kwl n SER 33 Cb 0.76 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 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 -3.13 -0.75 0.09 1.43 1.74 -1.24 -1.53 116.66 113.25 2kwl n ARG 34 Ca -0.00 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 2kwl n ARG 34 Cb 0.38 -0.92 0.27 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.34 0.32 -0.09 -1.55 0.04 -1.91 0.27 116.94 113.68 2kwl h PHE 35 Ca 0.01 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.73 2kwl h PHE 35 Cb 0.34 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2kwl h PHE 35 CO 0.00 0.55 -0.05 -0.39 -0.60 0.00 0.00 178.31 177.83 2kwl h VAL 36 N 0.25 0.85 0.00 -0.55 -1.51 -1.67 0.28 116.25 113.90 2kwl h VAL 36 Ca 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.48 2kwl h VAL 36 Cb 0.65 0.85 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2kwl h VAL 36 CO 0.05 0.00 -0.31 -0.33 -1.23 0.00 0.00 177.57 175.75 2kwl h GLU 37 N -0.04 0.00 0.77 5.19 5.08 -1.19 -3.41 114.58 120.98 2kwl h GLU 37 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2kwl h GLU 37 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kwl h GLU 37 CO -0.12 0.24 -0.38 0.22 -1.00 0.00 0.00 179.01 177.96 2kwl h ASP 38 N -1.00 -0.91 -2.98 1.42 3.58 -0.55 -3.45 116.42 112.53 2kwl h ASP 38 Ca -0.04 0.03 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 2kwl h ASP 38 Cb 0.44 0.24 0.09 0.00 1.72 0.00 0.00 39.33 41.82 2kwl h ASP 38 CO -0.02 -0.64 0.22 -0.11 -2.88 0.00 0.00 179.24 175.81 2kwl n LEU 39 N -4.86 0.00 -2.50 2.28 7.94 0.98 -5.00 117.00 115.82 2kwl n LEU 39 Ca -0.13 -0.77 -0.27 0.00 -1.11 0.00 0.00 56.01 53.73 2kwl n LEU 39 Cb 0.42 -0.53 -0.00 0.00 0.53 0.00 0.00 43.42 43.84 2kwl n LEU 39 CO 0.31 -0.99 0.20 -3.20 -1.11 0.00 0.00 177.39 172.60 2kwl n ASN 40 N -3.45 4.74 -2.32 1.96 4.05 -1.22 -4.48 115.26 114.53 2kwl n ASN 40 Ca 0.09 -3.72 0.01 0.00 0.45 0.00 0.00 54.58 51.41 2kwl n ASN 40 Cb 0.30 -0.47 0.01 0.00 1.23 0.00 0.00 39.78 40.85 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kwl n ALA 41 N -0.47 -1.68 -2.50 5.20 0.00 -1.25 -5.09 120.51 114.72 2kwl n ALA 41 Ca 0.39 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 2kwl n ALA 41 Cb 0.64 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.33 5.20 0.58 0.00 1.11 -1.26 -3.25 116.67 116.72 2kwl s ASP 42 Ca 0.14 -0.54 0.30 0.00 0.18 0.00 0.00 52.55 52.63 2kwl s ASP 42 Cb -0.00 -0.93 1.43 0.00 1.07 0.00 0.00 42.92 44.49 2kwl s ASP 42 CO -0.00 -0.35 1.83 -1.28 1.18 0.00 0.00 175.17 176.55 2kwl h SER 43 N 1.28 0.00 -0.41 0.27 0.87 -1.97 -0.83 113.55 112.76 2kwl h SER 43 Ca -0.45 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.20 2kwl h SER 43 Cb 1.25 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.13 2kwl h SER 43 CO 0.59 0.00 -0.11 0.17 -0.53 0.00 0.00 176.83 176.95 2kwl h LEU 44 N 0.00 -0.41 -0.02 2.23 8.10 -2.01 0.31 115.31 123.52 2kwl h LEU 44 Ca 0.30 0.13 -0.01 0.00 0.11 0.00 0.00 57.88 58.41 2kwl h LEU 44 Cb 1.51 0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 41.99 2kwl h LEU 44 CO -0.00 -0.14 -0.05 -0.78 -4.11 0.00 0.00 178.44 173.36 2kwl h ASP 45 N -0.01 0.00 0.88 0.17 3.58 -1.56 -3.21 116.42 116.28 2kwl h ASP 45 Ca 0.20 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.51 2kwl h ASP 45 Cb 0.31 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2kwl h ASP 45 CO -0.43 0.05 -0.67 0.40 -2.88 0.00 0.00 179.24 175.71 2kwl h ILE 46 N 0.00 1.34 -0.53 2.25 1.08 -0.74 -3.18 117.51 117.74 2kwl h ILE 46 Ca -0.00 -2.40 0.10 0.00 -0.39 0.00 0.00 64.86 62.18 2kwl h ILE 46 Cb 1.03 2.34 -0.09 0.00 -3.07 0.00 0.00 36.82 37.03 2kwl h ILE 46 CO 0.01 0.65 0.01 0.22 -0.69 0.00 0.00 178.15 178.35 2kwl h TYR 47 N 0.00 -0.02 -0.08 1.37 3.20 -0.47 -0.22 116.97 120.75 2kwl h TYR 47 Ca -0.01 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 2kwl h TYR 47 Cb 1.29 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 2kwl h TYR 47 CO 0.00 -0.12 -0.63 0.93 -1.64 0.00 0.00 178.16 176.70 2kwl h GLU 48 N 0.13 0.30 0.90 1.82 4.39 -1.75 -1.80 114.58 118.56 2kwl h GLU 48 Ca 0.27 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2kwl h GLU 48 Cb 0.41 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kwl h GLU 48 CO -0.44 0.83 -0.49 1.25 -1.16 0.00 0.00 179.01 179.00 2kwl h LEU 49 N 0.22 -1.20 -1.10 1.33 7.12 -1.12 0.29 115.31 120.85 2kwl h LEU 49 Ca -0.01 0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.99 2kwl h LEU 49 Cb 1.15 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.60 2kwl h LEU 49 CO 0.10 -0.79 -0.06 0.17 -0.13 0.00 0.00 178.44 177.73 2kwl h LEU 50 N -1.28 0.54 -1.17 2.25 8.10 -1.19 -2.03 115.31 120.53 2kwl h LEU 50 Ca -0.12 -0.13 -0.08 0.00 0.11 0.00 0.00 57.88 57.66 2kwl h LEU 50 Cb 1.00 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.07 2kwl h LEU 50 CO 0.16 0.65 -0.29 0.22 -4.11 0.00 0.00 178.44 175.08 2kwl h TYR 51 N 0.53 0.24 0.22 0.17 3.20 -1.15 -0.48 116.97 119.70 2kwl h TYR 51 Ca 0.10 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2kwl h TYR 51 Cb 0.44 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2kwl h TYR 51 CO 0.02 0.49 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.85 2kwl h LEU 52 N 0.19 -0.25 -0.23 2.82 4.07 0.07 -2.86 115.31 119.12 2kwl h LEU 52 Ca 0.03 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 57.86 2kwl h LEU 52 Cb 0.61 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 2kwl h LEU 52 CO 0.04 0.26 0.02 0.17 -1.08 0.00 0.00 178.44 177.86 2kwl h LEU 53 N -1.01 -0.04 -1.99 1.67 8.10 -1.41 -1.07 115.31 119.55 2kwl h LEU 53 Ca -0.03 0.04 0.12 0.00 0.11 0.00 0.00 57.88 58.13 2kwl h LEU 53 Cb 0.40 0.07 -0.02 0.00 -0.44 0.00 0.00 40.66 40.67 2kwl h LEU 53 CO 0.05 0.01 0.31 1.05 -4.11 0.00 0.00 178.44 175.75 2kwl h GLU 54 N 0.10 0.01 0.00 0.17 4.11 -1.21 0.31 114.58 118.06 2kwl h GLU 54 Ca 0.11 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 2kwl h GLU 54 Cb 0.12 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2kwl h GLU 54 CO -0.16 0.00 -0.12 1.49 0.07 0.00 0.00 179.01 180.29 2kwl h GLU 55 N 0.01 0.00 0.00 1.06 4.81 -0.96 -2.36 114.58 117.14 2kwl h GLU 55 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2kwl h GLU 55 Cb 0.81 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 2kwl h GLU 55 CO -0.00 0.12 -0.63 0.00 -0.73 0.00 0.00 179.01 177.77 2kwl h ALA 56 N 1.88 0.70 -0.32 2.92 0.00 -0.09 -3.28 119.26 121.06 2kwl h ALA 56 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kwl h ALA 56 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kwl h ALA 56 CO 0.02 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.51 2kwl n PHE 57 N -2.86 0.41 -3.58 0.00 3.72 -0.95 -4.99 117.46 109.20 2kwl n PHE 57 Ca 0.01 -0.23 -0.25 0.00 -0.05 0.00 0.00 57.45 56.93 2kwl n PHE 57 Cb 0.56 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.13 2kwl n PHE 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kwl n ASP 58 N 1.31 -5.71 -3.64 4.37 8.00 -0.93 -5.00 116.55 114.95 2kwl n ASP 58 Ca 0.17 -0.86 -0.05 0.00 0.71 0.00 0.00 54.79 54.76 2kwl n ASP 58 Cb 0.56 -3.52 -0.07 0.00 -0.02 0.00 0.00 41.12 38.07 2kwl n ASP 58 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kwl s ASP 59 N -3.33 -0.72 0.21 -2.24 1.01 -0.97 -5.07 116.67 105.57 2kwl s ASP 59 Ca 0.34 1.17 -0.30 0.00 0.71 0.00 0.00 52.55 54.48 2kwl s ASP 59 Cb -0.12 1.29 -0.09 0.00 1.01 0.00 0.00 42.92 45.01 2kwl s ASP 59 CO 0.84 -0.19 1.30 -0.54 0.21 0.00 0.00 175.17 176.80 2kwl s LYS 60 N 1.40 4.40 0.00 8.23 -0.14 -1.26 -4.55 119.74 127.82 2kwl s LYS 60 Ca -0.09 2.06 -0.24 0.00 -1.36 0.00 0.00 55.97 56.34 2kwl s LYS 60 Cb -0.04 -3.18 -0.15 0.00 -1.68 0.00 0.00 37.83 32.78 2kwl s LYS 60 CO -0.16 -0.23 1.07 0.82 -0.76 0.00 0.00 175.35 176.09 2kwl h ILE 61 N 3.66 0.32 0.00 2.17 1.08 -1.92 0.29 117.51 123.11 2kwl h ILE 61 Ca -0.45 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2kwl h ILE 61 Cb 1.22 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2kwl h ILE 61 CO 0.76 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.46 2kwl n PRO 62 N -5.23 0.38 -0.01 2.37 -0.04 -1.26 -0.22 135.00 130.98 2kwl n PRO 62 Ca -0.10 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2kwl n PRO 62 Cb 0.30 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.11 0.14 0.01 0.54 4.07 -1.16 -4.43 120.64 118.71 2kwl n GLU 63 Ca 0.10 0.06 -0.02 0.00 -0.06 0.00 0.00 57.16 57.23 2kwl n GLU 63 Cb 0.08 -0.64 -0.01 0.00 -0.06 0.00 0.00 31.44 30.81 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2kwl h ASN 64 N -0.27 -0.11 -0.13 4.31 -1.24 -0.51 -3.31 115.58 114.31 2kwl h ASN 64 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.05 2kwl h ASN 64 Cb 0.27 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 2kwl h ASN 64 CO 0.00 0.31 0.17 -0.33 -1.29 0.00 0.00 177.43 176.29 2kwl h GLU 65 N -0.92 0.00 0.00 6.67 3.07 -1.24 0.61 114.58 122.77 2kwl h GLU 65 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2kwl h GLU 65 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2kwl h GLU 65 CO 0.02 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.63 2kwl n ALA 66 N -2.27 1.18 -0.04 3.43 0.00 0.69 -1.90 120.51 121.60 2kwl n ALA 66 Ca 0.00 0.18 0.19 0.00 0.00 0.00 0.00 53.44 53.82 2kwl n ALA 66 Cb 0.28 -1.34 0.65 0.00 0.00 0.00 0.00 19.45 19.04 2kwl n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kwl h ASN 67 N 0.00 0.09 -0.05 0.00 -0.26 -1.01 -3.26 115.58 111.09 2kwl h ASN 67 Ca 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.56 2kwl h ASN 67 Cb 0.08 -0.01 -0.17 0.00 -1.06 0.00 0.00 38.32 37.15 2kwl h ASN 67 CO 0.00 0.05 -0.36 1.21 -1.06 0.00 0.00 177.43 177.26 2kwl n GLU 68 N -4.40 1.36 -3.66 0.81 4.07 -0.93 -5.14 120.64 112.76 2kwl n GLU 68 Ca 0.11 -1.53 -0.32 0.00 -0.06 0.00 0.00 57.16 55.36 2kwl n GLU 68 Cb 0.59 0.16 -0.05 0.00 -0.06 0.00 0.00 31.44 32.09 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 -0.19 3.49 0.04 4.31 5.36 -0.80 -4.84 117.98 125.35 2kwl s PHE 69 Ca 0.13 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2kwl s PHE 69 Cb 0.43 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 2kwl s PHE 69 CO -0.11 0.44 0.00 -1.91 -1.46 0.00 0.00 175.22 172.18 2kwl n GLU 70 N 0.20 0.00 -3.61 10.12 4.07 -1.26 -4.98 120.64 125.19 2kwl n GLU 70 Ca -0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 2kwl n GLU 70 Cb 0.52 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.86 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 -2.48 0.00 -0.30 6.31 -2.24 -1.26 -5.03 114.28 109.28 2kwl n THR 71 Ca 0.00 -1.60 0.07 0.00 -2.27 0.00 0.00 64.05 60.25 2kwl n THR 71 Cb 0.00 0.92 0.23 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.84 0.74 -0.94 2.28 2.07 -1.88 -0.22 116.25 120.13 2kwl h VAL 72 Ca -0.21 -0.22 0.20 0.00 0.82 0.00 0.00 66.70 67.29 2kwl h VAL 72 Cb 0.96 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 2kwl h VAL 72 CO 0.29 0.12 0.61 1.23 0.02 0.00 0.00 177.57 179.84 2kwl h GLY 73 N 0.65 1.12 1.84 2.17 0.00 -1.92 0.29 103.07 107.23 2kwl h GLY 73 Ca 0.47 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 2kwl h GLY 73 CO -0.36 -0.02 -0.40 -0.55 0.00 0.00 0.00 176.54 175.22 2kwl h ASP 74 N 0.51 0.18 0.15 0.19 5.19 -1.36 -2.88 116.42 118.40 2kwl h ASP 74 Ca 0.51 -0.07 -0.23 0.00 -0.62 0.00 0.00 57.03 56.61 2kwl h ASP 74 Cb 1.12 -0.05 0.03 0.00 0.18 0.00 0.00 39.33 40.60 2kwl h ASP 74 CO -0.23 0.57 -0.99 0.58 -3.12 0.00 0.00 179.24 176.05 2kwl h VAL 75 N 0.15 1.42 -0.31 -1.35 2.07 -0.48 -2.69 116.25 115.06 2kwl h VAL 75 Ca 0.01 -2.50 0.07 0.00 0.82 0.00 0.00 66.70 65.10 2kwl h VAL 75 Cb 0.77 3.03 -0.06 0.00 -1.52 0.00 0.00 31.29 33.51 2kwl h VAL 75 CO 0.06 0.73 -0.11 0.58 0.02 0.00 0.00 177.57 178.85 2kwl h VAL 76 N -0.14 0.62 0.00 2.57 2.07 -0.81 0.85 116.25 121.40 2kwl h VAL 76 Ca -0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2kwl h VAL 76 Cb 1.75 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2kwl h VAL 76 CO 0.19 0.00 -0.14 -0.55 0.02 0.00 0.00 177.57 177.09 2kwl h ASN 77 N -0.05 0.00 0.44 0.57 7.08 -1.63 -2.37 115.58 119.62 2kwl h ASN 77 Ca 0.16 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.35 2kwl h ASN 77 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.53 2kwl h ASN 77 CO -0.35 0.14 -0.21 -0.26 -2.08 0.00 0.00 177.43 174.66 2kwl h PHE 78 N 0.00 -0.55 0.00 4.14 -1.00 -0.68 -3.01 116.94 115.83 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 0.74 0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 2kwl h PHE 78 CO 0.00 -0.34 -0.04 0.82 -1.61 0.00 0.00 178.31 177.14 2kwl h ILE 79 N -1.16 0.21 0.26 -0.55 2.04 -0.99 0.61 117.51 117.93 2kwl h ILE 79 Ca -0.06 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2kwl h ILE 79 Cb 0.45 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kwl h ILE 79 CO 0.10 0.04 -0.12 0.11 0.00 0.00 0.00 178.15 178.28 2kwl h LYS 80 N 0.00 -0.33 0.14 2.37 1.57 -1.45 -2.39 116.57 116.49 2kwl h LYS 80 Ca -0.00 0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.52 2kwl h LYS 80 Cb 0.27 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2kwl h LYS 80 CO 0.01 -0.07 -1.28 1.57 -0.57 0.00 0.00 179.45 179.11 2kwl h LYS 81 N -0.58 0.30 -0.84 3.15 5.09 -1.38 0.22 116.57 122.53 2kwl h LYS 81 Ca -0.04 -0.52 0.12 0.00 0.09 0.00 0.00 60.65 60.31 2kwl h LYS 81 Cb 0.42 0.19 -0.08 0.00 0.10 0.00 0.00 32.23 32.86 2kwl h LYS 81 CO 0.06 1.24 0.47 0.00 -2.09 0.00 0.00 179.45 179.13 2kwl h ARG 82 N 0.08 0.71 0.00 0.07 3.08 -0.92 -3.25 114.38 114.15 2kwl h ARG 82 Ca -0.15 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.51 2kwl h ARG 82 Cb 2.00 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.84 2kwl h ARG 82 CO 0.21 0.47 -2.03 1.17 -1.07 0.00 0.00 179.97 178.72 2kwl n LYS 83 N -4.79 0.57 0.00 0.04 4.81 -0.90 -5.06 118.16 112.83 2kwl n LYS 83 Ca 0.15 0.33 0.12 0.00 -0.87 0.00 0.00 58.31 58.05 2kwl n LYS 83 Cb 0.35 -1.55 0.17 0.00 0.02 0.00 0.00 35.03 34.03 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98