#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl s PRO 2 N 0.00 2.18 0.00 1.61 0.04 -1.26 -4.43 135.00 133.15 2kwl s PRO 2 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2kwl s PRO 2 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2kwl s PRO 2 CO 0.00 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.76 2kwl n GLY 3 N -1.19 1.37 4.02 0.56 0.00 -1.26 -5.11 105.19 103.58 2kwl n GLY 3 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwl s SER 4 N -2.00 5.36 -0.51 1.61 1.04 -1.26 -5.09 113.70 112.84 2kwl s SER 4 Ca 0.00 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2kwl s SER 4 Cb 0.00 -0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.06 2kwl s SER 4 CO 0.00 -1.07 0.30 -0.04 0.98 0.00 0.00 173.24 173.41 2kwl s MET 5 N -4.53 1.68 -1.85 4.02 -1.94 -1.26 -4.80 119.30 110.62 2kwl s MET 5 Ca 0.59 -2.45 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 2kwl s MET 5 Cb -0.08 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 34.01 2kwl s MET 5 CO 0.36 -1.19 0.00 -0.25 -0.01 0.00 0.00 175.02 173.93 2kwl n ASP 6 N 3.06 -5.20 -0.12 3.03 9.92 -1.26 -4.61 116.55 121.37 2kwl n ASP 6 Ca 0.11 0.29 -0.04 0.00 -0.53 0.00 0.00 54.79 54.62 2kwl n ASP 6 Cb 0.35 -4.51 0.03 0.00 -0.64 0.00 0.00 41.12 36.36 2kwl n ASP 6 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2kwl h ASN 7 N 0.00 -0.16 -0.37 -2.24 -1.24 -1.87 0.12 115.58 109.82 2kwl h ASN 7 Ca -0.41 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2kwl h ASN 7 Cb 1.28 0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.49 2kwl h ASN 7 CO 0.55 -0.04 0.00 0.47 -1.29 0.00 0.00 177.43 177.12 2kwl n ASP 8 N -5.19 2.22 -0.06 1.15 9.92 -1.26 -3.74 116.55 119.59 2kwl n ASP 8 Ca 0.03 -2.06 -0.03 0.00 -0.53 0.00 0.00 54.79 52.20 2kwl n ASP 8 Cb 0.22 -0.30 -0.13 0.00 -0.64 0.00 0.00 41.12 40.27 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kwl n GLU 9 N 0.57 1.10 0.34 -1.24 -0.58 0.29 -3.93 120.64 117.19 2kwl n GLU 9 Ca 0.13 -0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.64 2kwl n GLU 9 Cb 0.38 -1.41 -0.09 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.39 -0.10 -3.67 2.04 -1.28 0.27 117.51 115.16 2kwl h ILE 10 Ca -0.30 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2kwl h ILE 10 Cb 1.60 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2kwl h ILE 10 CO 0.02 0.00 -0.46 2.19 0.00 0.00 0.00 178.15 179.89 2kwl h PHE 11 N -0.84 0.29 -0.21 1.37 -0.00 -1.81 -1.79 116.94 113.96 2kwl h PHE 11 Ca -0.09 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.97 57.76 2kwl h PHE 11 Cb 0.64 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.52 2kwl h PHE 11 CO -0.03 0.67 -0.01 1.03 -0.00 0.00 0.00 178.31 179.97 2kwl h SER 12 N 0.20 0.36 -0.28 -0.68 0.87 -1.64 0.24 113.55 112.62 2kwl h SER 12 Ca 0.01 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 2kwl h SER 12 Cb 0.90 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2kwl h SER 12 CO 0.07 0.60 -0.06 0.50 -0.53 0.00 0.00 176.83 177.41 2kwl h LYS 13 N 0.12 0.53 -0.35 2.24 3.64 -0.43 -1.13 116.57 121.19 2kwl h LYS 13 Ca 0.06 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 2kwl h LYS 13 Cb 0.41 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2kwl h LYS 13 CO 0.01 0.73 -0.20 0.28 -2.27 0.00 0.00 179.45 178.01 2kwl h VAL 14 N 0.29 1.26 -0.26 2.00 2.07 -1.32 -3.08 116.25 117.22 2kwl h VAL 14 Ca 0.07 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 2kwl h VAL 14 Cb 0.53 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2kwl h VAL 14 CO 0.03 0.41 -0.12 -0.09 0.02 0.00 0.00 177.57 177.82 2kwl h ARG 15 N 0.58 0.54 -0.29 1.57 9.65 -0.42 -2.80 114.38 123.22 2kwl h ARG 15 Ca 0.09 -0.23 0.08 0.00 -1.10 0.00 0.00 59.98 58.82 2kwl h ARG 15 Cb 0.66 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2kwl h ARG 15 CO 0.05 0.79 0.37 1.03 2.80 0.00 0.00 179.97 185.00 2kwl h SER 16 N 0.28 0.00 0.26 -3.80 0.87 -1.11 0.42 113.55 110.47 2kwl h SER 16 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kwl h SER 16 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2kwl h SER 16 CO 0.04 0.00 -0.12 0.40 -0.53 0.00 0.00 176.83 176.61 2kwl h ILE 17 N 0.00 0.75 0.00 2.23 2.04 -1.46 -3.27 117.51 117.79 2kwl h ILE 17 Ca 0.14 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.08 2kwl h ILE 17 Cb 0.87 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2kwl h ILE 17 CO -0.00 0.15 -0.73 0.16 0.00 0.00 0.00 178.15 177.73 2kwl h ILE 18 N -0.78 1.44 -1.04 -0.67 3.07 -1.35 -3.19 117.51 114.99 2kwl h ILE 18 Ca -0.04 -2.56 0.30 0.00 1.55 0.00 0.00 64.86 64.11 2kwl h ILE 18 Cb 0.51 2.41 -0.04 0.00 -0.27 0.00 0.00 36.82 39.42 2kwl h ILE 18 CO 0.06 0.71 0.74 -1.28 -1.05 0.00 0.00 178.15 177.34 2kwl h SER 19 N 0.00 0.01 -0.52 2.16 0.87 -0.25 0.51 113.55 116.34 2kwl h SER 19 Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2kwl h SER 19 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2kwl h SER 19 CO 0.09 0.00 0.03 -0.08 -0.53 0.00 0.00 176.83 176.35 2kwl h GLU 20 N 0.01 0.89 0.00 2.24 4.81 -1.61 0.43 114.58 121.35 2kwl h GLU 20 Ca 0.49 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2kwl h GLU 20 Cb 1.97 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 2kwl h GLU 20 CO -0.01 0.90 -0.53 0.37 -0.73 0.00 0.00 179.01 179.01 2kwl h GLN 21 N 0.76 0.00 -0.14 1.92 5.75 -0.65 -3.36 115.11 119.41 2kwl h GLN 21 Ca 0.15 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2kwl h GLN 21 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2kwl h GLN 21 CO 0.02 0.66 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.72 2kwl h LEU 22 N -1.00 0.18 2.25 -2.39 4.07 -0.30 -3.46 115.31 114.67 2kwl h LEU 22 Ca -0.12 -0.03 -0.41 0.00 0.08 0.00 0.00 57.88 57.41 2kwl h LEU 22 Cb 0.85 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.55 2kwl h LEU 22 CO -0.07 0.28 -0.55 -0.67 -1.08 0.00 0.00 178.44 176.34 2kwl n ASP 23 N -4.36 -5.94 -4.46 -0.43 -0.08 0.15 -4.99 116.55 96.45 2kwl n ASP 23 Ca -0.01 -0.11 -0.20 0.00 -1.51 0.00 0.00 54.79 52.96 2kwl n ASP 23 Cb 0.21 -4.88 0.03 0.00 2.34 0.00 0.00 41.12 38.81 2kwl n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kwl n LYS 24 N -3.33 0.74 -4.06 -0.67 4.76 -1.25 -5.06 118.16 109.30 2kwl n LYS 24 Ca -0.20 -2.82 -0.35 0.00 -2.87 0.00 0.00 58.31 52.07 2kwl n LYS 24 Cb 0.66 0.08 -0.07 0.00 -1.84 0.00 0.00 35.03 33.86 2kwl n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kwl s LYS 25 N -4.07 3.23 0.45 1.97 3.01 -1.26 -4.86 119.74 118.20 2kwl s LYS 25 Ca 0.38 -0.32 0.31 0.00 -1.01 0.00 0.00 55.97 55.33 2kwl s LYS 25 Cb -0.03 -2.99 1.46 0.00 -1.01 0.00 0.00 37.83 35.26 2kwl s LYS 25 CO 0.24 0.71 1.93 1.05 0.51 0.00 0.00 175.35 179.79 2kwl h GLU 26 N 4.60 0.00 -0.28 1.68 -0.00 -2.00 -1.37 114.58 117.22 2kwl h GLU 26 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2kwl h GLU 26 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2kwl h GLU 26 CO 0.60 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 179.36 2kwl n ASP 27 N -2.67 1.27 0.00 3.06 8.00 -1.26 -3.79 116.55 121.16 2kwl n ASP 27 Ca -0.00 -2.03 0.12 0.00 0.71 0.00 0.00 54.79 53.59 2kwl n ASP 27 Cb 0.17 -0.18 0.64 0.00 -0.02 0.00 0.00 41.12 41.72 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl n GLU 28 N 0.13 0.43 -1.47 -1.24 -0.58 -0.52 -4.81 120.64 112.59 2kwl n GLU 28 Ca 0.07 0.05 -0.47 0.00 -0.42 0.00 0.00 57.16 56.39 2kwl n GLU 28 Cb 0.22 -1.50 -0.07 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 -1.23 0.11 -3.54 -3.67 2.08 -1.25 -4.71 119.36 107.15 2kwl n ILE 29 Ca 0.13 -0.32 -0.08 0.00 0.56 0.00 0.00 62.75 63.04 2kwl n ILE 29 Cb 0.17 -1.69 -0.02 0.00 -0.75 0.00 0.00 39.64 37.36 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 8.47 0.00 -1.09 1.39 -1.32 -1.26 -4.93 115.64 116.90 2kwl s THR 30 Ca 1.11 -0.10 0.29 0.00 -1.21 0.00 0.00 61.69 61.79 2kwl s THR 30 Cb -0.79 -1.15 0.29 0.00 -1.51 0.00 0.00 72.50 69.34 2kwl s THR 30 CO 0.45 0.00 1.94 1.07 -2.21 0.00 0.00 174.62 175.87 2kwl n THR 31 N -0.29 0.00 0.41 5.08 5.66 -1.26 -3.03 114.28 120.85 2kwl n THR 31 Ca -0.09 -0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.03 2kwl n THR 31 Cb 0.62 -0.47 0.07 0.00 -1.55 0.00 0.00 70.33 68.99 2kwl n THR 31 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kwl n ASP 32 N -1.45 0.70 -0.08 1.09 8.00 -1.26 -4.27 116.55 119.27 2kwl n ASP 32 Ca 0.08 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.52 2kwl n ASP 32 Cb 0.32 0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 41.80 2kwl n ASP 32 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kwl h SER 33 N 0.00 0.00 -2.43 -2.24 0.02 -1.82 -3.47 113.55 103.60 2kwl h SER 33 Ca 0.00 -0.71 0.16 0.00 -0.84 0.00 0.00 61.79 60.40 2kwl h SER 33 Cb 0.82 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 2kwl h SER 33 CO 0.00 1.11 -0.21 0.54 -1.14 0.00 0.00 176.83 177.13 2kwl n ARG 34 N -4.57 -1.17 0.21 3.45 1.74 -1.23 -1.19 116.66 113.90 2kwl n ARG 34 Ca -0.16 0.77 0.06 0.00 -0.77 0.00 0.00 57.85 57.75 2kwl n ARG 34 Cb 0.50 -1.43 0.48 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.54 0.00 -0.04 -1.55 0.04 -1.89 0.31 116.94 113.27 2kwl h PHE 35 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2kwl h PHE 35 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2kwl h PHE 35 CO 0.00 0.28 0.01 -0.39 -0.60 0.00 0.00 178.31 177.60 2kwl h VAL 36 N 0.00 1.21 0.00 -0.55 -1.51 -1.73 -1.39 116.25 112.28 2kwl h VAL 36 Ca -0.00 -0.62 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 2kwl h VAL 36 Cb 0.57 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2kwl h VAL 36 CO 0.04 0.17 -0.30 -0.08 -1.23 0.00 0.00 177.57 176.16 2kwl h GLU 37 N -0.18 0.00 0.39 5.19 4.57 -1.04 -3.41 114.58 120.09 2kwl h GLU 37 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2kwl h GLU 37 Cb 0.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2kwl h GLU 37 CO 0.00 0.18 -0.27 0.22 -1.18 0.00 0.00 179.01 177.97 2kwl h ASP 38 N -1.00 -0.69 -4.53 1.04 3.58 -0.44 -3.45 116.42 110.93 2kwl h ASP 38 Ca -0.03 0.04 -0.38 0.00 0.42 0.00 0.00 57.03 57.08 2kwl h ASP 38 Cb 0.40 0.21 0.10 0.00 1.72 0.00 0.00 39.33 41.76 2kwl h ASP 38 CO -0.02 -0.39 0.20 0.18 -2.88 0.00 0.00 179.24 176.33 2kwl n LEU 39 N -3.98 0.00 -2.05 2.28 4.77 -0.53 -5.01 117.00 112.48 2kwl n LEU 39 Ca -0.08 -1.56 -0.25 0.00 -0.03 0.00 0.00 56.01 54.10 2kwl n LEU 39 Cb 0.26 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.70 2kwl n LEU 39 CO 0.17 -1.07 0.24 -0.46 -1.33 0.00 0.00 177.39 174.94 2kwl n ASN 40 N -3.25 5.04 -3.60 -1.43 6.94 -1.22 -4.30 115.26 113.45 2kwl n ASN 40 Ca 0.14 -3.75 -0.16 0.00 -0.02 0.00 0.00 54.58 50.79 2kwl n ASN 40 Cb 0.49 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kwl s ALA 41 N -3.61 -1.63 0.75 -2.53 0.00 -1.24 -5.09 121.76 108.41 2kwl s ALA 41 Ca 0.51 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 2kwl s ALA 41 Cb 0.41 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2kwl s ALA 41 CO 0.03 -0.34 1.08 -0.51 0.00 0.00 0.00 175.76 176.03 2kwl s ASP 42 N -0.54 4.91 0.52 0.00 1.11 -1.26 -4.17 116.67 117.24 2kwl s ASP 42 Ca -0.06 1.38 0.35 0.00 0.18 0.00 0.00 52.55 54.40 2kwl s ASP 42 Cb -0.02 -2.18 1.51 0.00 1.07 0.00 0.00 42.92 43.30 2kwl s ASP 42 CO 0.06 -1.71 1.78 0.77 1.18 0.00 0.00 175.17 177.25 2kwl h SER 43 N -0.91 0.06 -0.61 0.27 4.64 -1.98 0.12 113.55 115.14 2kwl h SER 43 Ca -0.46 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.00 2kwl h SER 43 Cb 1.25 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 2kwl h SER 43 CO 0.59 0.00 0.11 0.17 -0.87 0.00 0.00 176.83 176.84 2kwl h LEU 44 N 0.05 -0.04 0.00 5.97 8.10 -2.02 0.29 115.31 127.67 2kwl h LEU 44 Ca 0.60 0.12 -0.17 0.00 0.11 0.00 0.00 57.88 58.54 2kwl h LEU 44 Cb 2.28 0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 42.65 2kwl h LEU 44 CO -0.06 -0.01 -0.80 0.44 -4.11 0.00 0.00 178.44 173.90 2kwl h ASP 45 N 0.24 0.00 -0.03 0.17 5.19 -1.13 -3.25 116.42 117.61 2kwl h ASP 45 Ca 0.32 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.68 2kwl h ASP 45 Cb 0.50 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2kwl h ASP 45 CO -0.43 0.80 -0.11 0.40 -3.12 0.00 0.00 179.24 176.78 2kwl h ILE 46 N 0.00 1.18 -0.82 0.35 1.08 -0.64 -2.83 117.51 115.83 2kwl h ILE 46 Ca -0.01 -0.79 0.19 0.00 -0.39 0.00 0.00 64.86 63.85 2kwl h ILE 46 Cb 1.61 1.16 -0.11 0.00 -3.07 0.00 0.00 36.82 36.41 2kwl h ILE 46 CO 0.10 0.25 0.30 0.22 -0.69 0.00 0.00 178.15 178.34 2kwl h TYR 47 N 0.29 0.49 -0.19 1.37 5.03 -1.05 0.56 116.97 123.47 2kwl h TYR 47 Ca 0.06 0.04 -0.19 0.00 2.58 0.00 0.00 58.73 61.22 2kwl h TYR 47 Cb 0.37 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2kwl h TYR 47 CO 0.01 -0.04 -0.66 0.93 -1.32 0.00 0.00 178.16 177.08 2kwl h GLU 48 N 0.37 0.72 0.35 1.82 5.08 -1.70 -1.52 114.58 119.69 2kwl h GLU 48 Ca 0.49 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kwl h GLU 48 Cb 0.86 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2kwl h GLU 48 CO -0.50 1.14 -0.47 1.25 -1.00 0.00 0.00 179.01 179.42 2kwl h LEU 49 N 0.52 -1.33 -0.39 1.33 6.46 -0.86 0.11 115.31 121.15 2kwl h LEU 49 Ca -0.02 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2kwl h LEU 49 Cb 1.26 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 41.63 2kwl h LEU 49 CO 0.13 -0.58 0.08 0.17 -0.62 0.00 0.00 178.44 177.63 2kwl h LEU 50 N -0.85 0.60 -0.36 2.25 8.10 -1.39 -1.86 115.31 121.80 2kwl h LEU 50 Ca -0.04 -0.24 0.08 0.00 0.11 0.00 0.00 57.88 57.78 2kwl h LEU 50 Cb 0.77 -0.16 -0.08 0.00 -0.44 0.00 0.00 40.66 40.75 2kwl h LEU 50 CO -0.12 0.69 -0.21 0.22 -4.11 0.00 0.00 178.44 174.91 2kwl h TYR 51 N 0.48 -0.53 0.00 0.17 3.20 -1.09 0.81 116.97 120.00 2kwl h TYR 51 Ca 0.12 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2kwl h TYR 51 Cb 0.33 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2kwl h TYR 51 CO 0.02 -0.29 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.86 2kwl h LEU 52 N -0.15 0.00 -1.31 2.82 4.07 -0.71 -2.39 115.31 117.65 2kwl h LEU 52 Ca 0.18 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.07 2kwl h LEU 52 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2kwl h LEU 52 CO -0.45 0.32 -0.33 -0.07 -1.08 0.00 0.00 178.44 176.82 2kwl h LEU 53 N 0.00 0.00 -0.42 1.67 4.07 -0.05 -3.08 115.31 117.50 2kwl h LEU 53 Ca -0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.04 2kwl h LEU 53 Cb 0.57 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.23 2kwl h LEU 53 CO 0.04 0.33 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.25 2kwl h GLU 54 N 0.00 -0.06 -0.15 1.13 5.08 -0.54 -0.64 114.58 119.40 2kwl h GLU 54 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2kwl h GLU 54 Cb 0.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2kwl h GLU 54 CO 0.04 -0.04 -0.48 1.05 -1.00 0.00 0.00 179.01 178.59 2kwl h GLU 55 N -0.06 0.39 0.00 2.33 4.11 -1.69 0.36 114.58 120.03 2kwl h GLU 55 Ca 0.21 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kwl h GLU 55 Cb 0.38 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kwl h GLU 55 CO -0.47 0.79 -0.00 0.00 0.07 0.00 0.00 179.01 179.39 2kwl h ALA 56 N 1.18 1.08 0.00 1.06 0.00 -1.07 -1.96 119.26 119.55 2kwl h ALA 56 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kwl h ALA 56 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2kwl h ALA 56 CO 0.08 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.52 2kwl n PHE 57 N -3.20 0.00 -3.69 0.00 3.72 -0.66 -5.03 117.46 108.60 2kwl n PHE 57 Ca -0.03 -0.18 -0.29 0.00 -0.05 0.00 0.00 57.45 56.90 2kwl n PHE 57 Cb 0.09 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.18 -4.48 -3.55 4.37 2.03 0.11 -4.99 116.55 109.86 2kwl n ASP 58 Ca 0.00 -0.98 -0.13 0.00 0.52 0.00 0.00 54.79 54.19 2kwl n ASP 58 Cb 0.18 -3.51 -0.05 0.00 -0.72 0.00 0.00 41.12 37.01 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 -3.64 -0.49 0.15 1.67 1.01 0.15 -5.01 116.67 110.51 2kwl s ASP 59 Ca 0.38 0.51 -0.30 0.00 0.71 0.00 0.00 52.55 53.85 2kwl s ASP 59 Cb -0.13 0.41 -0.07 0.00 1.01 0.00 0.00 42.92 44.13 2kwl s ASP 59 CO 0.85 -0.47 1.12 -0.54 0.21 0.00 0.00 175.17 176.34 2kwl s LYS 60 N -1.25 4.56 -0.05 8.23 1.02 -1.26 -4.34 119.74 126.64 2kwl s LYS 60 Ca -0.05 1.72 -0.14 0.00 0.02 0.00 0.00 55.97 57.52 2kwl s LYS 60 Cb -0.00 -3.29 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 2kwl s LYS 60 CO 0.04 0.01 0.58 0.82 -0.92 0.00 0.00 175.35 175.88 2kwl h ILE 61 N 3.88 0.21 0.00 2.17 1.08 -1.93 0.30 117.51 123.22 2kwl h ILE 61 Ca -0.44 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 2kwl h ILE 61 Cb 1.21 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2kwl h ILE 61 CO 0.74 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.44 2kwl n PRO 62 N -5.03 0.25 -0.01 2.37 -0.04 -1.26 -0.75 135.00 130.53 2kwl n PRO 62 Ca -0.06 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 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 -1.25 0.15 0.12 0.54 4.07 -1.23 -4.40 120.64 118.65 2kwl n GLU 63 Ca 0.08 0.06 -0.06 0.00 -0.06 0.00 0.00 57.16 57.18 2kwl n GLU 63 Cb 0.11 -0.66 -0.03 0.00 -0.06 0.00 0.00 31.44 30.80 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 -0.28 -0.32 -0.14 4.31 -1.24 -0.51 -3.26 115.58 114.14 2kwl h ASN 64 Ca 0.00 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.06 2kwl h ASN 64 Cb 0.28 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2kwl h ASN 64 CO 0.00 0.02 0.15 -0.33 -1.29 0.00 0.00 177.43 175.98 2kwl h GLU 65 N -0.88 0.00 0.00 6.67 3.07 -0.93 0.11 114.58 122.61 2kwl h GLU 65 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2kwl h GLU 65 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2kwl h GLU 65 CO 0.06 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 2kwl n ALA 66 N -2.33 1.35 0.29 3.43 0.00 0.07 -1.80 120.51 121.52 2kwl n ALA 66 Ca 0.00 0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2kwl n ALA 66 Cb 0.26 -1.27 0.87 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.05 0.00 7.08 -0.86 -3.29 115.58 118.46 2kwl h ASN 67 Ca 0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.03 2kwl h ASN 67 Cb 0.17 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.24 2kwl h ASN 67 CO 0.00 0.05 -0.36 -0.62 -2.08 0.00 0.00 177.43 174.42 2kwl n GLU 68 N -3.67 1.36 -3.80 4.14 -0.58 -0.90 -5.14 120.64 112.06 2kwl n GLU 68 Ca -0.02 -1.52 -0.31 0.00 -0.42 0.00 0.00 57.16 54.88 2kwl n GLU 68 Cb 0.15 0.17 -0.04 0.00 -0.57 0.00 0.00 31.44 31.14 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2kwl s PHE 69 N -0.18 3.50 0.35 -0.32 5.36 -0.74 -4.90 117.98 121.03 2kwl s PHE 69 Ca 0.13 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 2kwl s PHE 69 Cb 0.43 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 2kwl s PHE 69 CO -0.11 0.51 0.00 -1.91 -1.46 0.00 0.00 175.22 172.25 2kwl n GLU 70 N 0.20 0.00 -3.59 10.12 4.07 -1.26 -4.99 120.64 125.19 2kwl n GLU 70 Ca -0.04 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.93 2kwl n GLU 70 Cb 0.51 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.85 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 -3.23 0.00 -0.24 6.31 -2.24 -1.26 -5.03 114.28 108.59 2kwl n THR 71 Ca 0.00 -1.68 0.03 0.00 -2.27 0.00 0.00 64.05 60.14 2kwl n THR 71 Cb 0.00 0.89 0.16 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.80 0.70 -1.05 2.28 2.07 -1.89 0.04 116.25 120.20 2kwl h VAL 72 Ca -0.19 -0.15 0.29 0.00 0.82 0.00 0.00 66.70 67.47 2kwl h VAL 72 Cb 0.91 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2kwl h VAL 72 CO 0.27 0.08 0.73 1.23 0.02 0.00 0.00 177.57 179.89 2kwl h GLY 73 N 0.44 0.42 1.26 2.17 0.00 -1.92 0.31 103.07 105.75 2kwl h GLY 73 Ca 0.37 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.45 2kwl h GLY 73 CO -0.36 -0.04 -0.56 -0.55 0.00 0.00 0.00 176.54 175.03 2kwl h ASP 74 N 0.14 0.86 -0.01 0.19 5.19 -1.33 -2.93 116.42 118.53 2kwl h ASP 74 Ca 0.53 -0.46 -0.19 0.00 -0.62 0.00 0.00 57.03 56.29 2kwl h ASP 74 Cb 1.83 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 41.09 2kwl h ASP 74 CO -0.10 1.24 -0.65 0.58 -3.12 0.00 0.00 179.24 177.19 2kwl h VAL 75 N 0.59 1.32 -0.11 -1.35 2.07 -0.42 -1.50 116.25 116.84 2kwl h VAL 75 Ca 0.01 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.64 2kwl h VAL 75 Cb 1.15 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2kwl h VAL 75 CO 0.12 0.60 0.01 0.58 0.02 0.00 0.00 177.57 178.89 2kwl h VAL 76 N 0.46 0.94 0.00 2.57 2.07 -1.01 0.22 116.25 121.50 2kwl h VAL 76 Ca -0.01 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 2kwl h VAL 76 Cb 1.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2kwl h VAL 76 CO 0.13 0.01 -0.51 -0.55 0.02 0.00 0.00 177.57 176.66 2kwl h ASN 77 N 0.05 0.00 0.63 0.57 7.08 -1.55 -2.90 115.58 119.46 2kwl h ASN 77 Ca 0.05 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.24 2kwl h ASN 77 Cb 0.05 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.30 2kwl h ASN 77 CO -0.08 0.51 -0.30 -0.26 -2.08 0.00 0.00 177.43 175.22 2kwl h PHE 78 N 0.00 -0.78 -0.00 4.14 -1.00 -0.75 -2.21 116.94 116.34 2kwl h PHE 78 Ca -0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2kwl h PHE 78 Cb 1.08 0.26 -0.00 0.00 3.61 0.00 0.00 35.95 40.90 2kwl h PHE 78 CO 0.00 -0.48 0.03 0.82 -1.61 0.00 0.00 178.31 177.06 2kwl h ILE 79 N -1.22 0.02 0.04 -0.55 2.04 -1.05 0.22 117.51 116.99 2kwl h ILE 79 Ca -0.09 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.52 2kwl h ILE 79 Cb 0.65 0.97 0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2kwl h ILE 79 CO 0.14 0.00 -1.01 0.11 0.00 0.00 0.00 178.15 177.39 2kwl h LYS 80 N 0.00 0.62 0.00 2.37 1.57 -1.39 -2.24 116.57 117.50 2kwl h LYS 80 Ca 0.00 -0.71 -0.20 0.00 -1.87 0.00 0.00 60.65 57.87 2kwl h LYS 80 Cb 0.05 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2kwl h LYS 80 CO -0.00 1.30 -0.93 1.57 -0.57 0.00 0.00 179.45 180.82 2kwl h LYS 81 N 0.25 0.00 -0.00 3.15 2.10 -0.61 0.13 116.57 121.58 2kwl h LYS 81 Ca -0.14 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.35 2kwl h LYS 81 Cb 1.68 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.99 2kwl h LYS 81 CO 0.20 0.93 -0.75 0.07 -2.00 0.00 0.00 179.45 177.89 2kwl h ARG 82 N 0.00 0.01 0.00 0.07 0.11 -1.07 -3.35 114.38 110.14 2kwl h ARG 82 Ca -0.01 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 2kwl h ARG 82 Cb 1.70 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.76 2kwl h ARG 82 CO 0.12 0.76 -0.99 1.17 0.10 0.00 0.00 179.97 181.13 2kwl n LYS 83 N -3.65 0.51 -0.50 0.08 0.00 -0.84 -5.08 118.16 108.69 2kwl n LYS 83 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 58.31 58.81 2kwl n LYS 83 Cb 0.73 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 34.07 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81