#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl n PRO 2 N 0.00 -1.63 0.00 1.61 -0.04 -1.26 -4.82 135.00 128.86 2kwl n PRO 2 Ca 0.00 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 2kwl n PRO 2 Cb 0.00 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2kwl n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kwl n GLY 3 N 0.40 1.74 2.89 0.55 0.00 -1.26 -5.09 105.19 104.42 2kwl n GLY 3 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 4.31 -0.21 1.61 0.01 -1.26 -4.95 113.70 111.21 2kwl s SER 4 Ca 0.00 -2.37 -0.32 0.00 1.31 0.00 0.00 55.95 54.57 2kwl s SER 4 Cb 0.00 -1.38 0.15 0.00 0.21 0.00 0.00 66.02 65.00 2kwl s SER 4 CO 0.00 -0.33 1.22 -0.32 0.41 0.00 0.00 173.24 174.22 2kwl s MET 5 N 0.63 0.28 0.50 12.44 0.00 -1.26 -5.01 119.30 126.87 2kwl s MET 5 Ca 0.14 -0.03 0.26 0.00 0.00 0.00 0.00 55.69 56.06 2kwl s MET 5 Cb -0.21 0.13 1.35 0.00 0.00 0.00 0.00 34.83 36.09 2kwl s MET 5 CO -0.08 -0.11 1.90 -0.44 0.00 0.00 0.00 175.02 176.30 2kwl h ASP 6 N 2.11 0.12 -0.48 1.11 3.32 -1.97 -1.07 116.42 119.57 2kwl h ASP 6 Ca -0.10 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.06 2kwl h ASP 6 Cb 1.17 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 2kwl h ASP 6 CO 0.24 0.05 -0.08 0.78 -1.72 0.00 0.00 179.24 178.51 2kwl h ASN 7 N 0.12 -0.36 -0.46 6.45 4.21 -1.87 0.22 115.58 123.90 2kwl h ASN 7 Ca 0.41 0.13 0.00 0.00 1.21 0.00 0.00 56.30 58.05 2kwl h ASN 7 Cb 1.41 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.88 2kwl h ASN 7 CO -0.06 -0.13 0.00 -0.90 -1.29 0.00 0.00 177.43 175.05 2kwl n ASP 8 N -5.31 2.88 -0.04 5.81 5.68 -0.45 -3.84 116.55 121.29 2kwl n ASP 8 Ca 0.04 -2.13 0.02 0.00 -0.50 0.00 0.00 54.79 52.23 2kwl n ASP 8 Cb 0.26 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 39.73 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2kwl n GLU 9 N 0.80 0.88 0.18 0.11 4.07 0.62 -3.98 120.64 123.32 2kwl n GLU 9 Ca 0.16 -0.10 -0.13 0.00 -0.06 0.00 0.00 57.16 57.04 2kwl n GLU 9 Cb 0.50 -1.41 -0.07 0.00 -0.06 0.00 0.00 31.44 30.40 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2kwl h ILE 10 N 0.00 0.54 -0.07 6.31 2.04 -1.24 0.26 117.51 125.35 2kwl h ILE 10 Ca -0.18 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 2kwl h ILE 10 Cb 1.27 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2kwl h ILE 10 CO 0.01 0.10 -0.30 2.19 0.00 0.00 0.00 178.15 180.14 2kwl h PHE 11 N -0.88 0.13 -0.03 1.37 -0.00 -1.81 -1.69 116.94 114.03 2kwl h PHE 11 Ca -0.05 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 57.84 2kwl h PHE 11 Cb 0.54 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.46 2kwl h PHE 11 CO 0.03 0.42 -0.19 1.03 -0.00 0.00 0.00 178.31 179.59 2kwl h SER 12 N 0.11 0.21 -0.33 -0.68 0.87 -1.68 -2.44 113.55 109.61 2kwl h SER 12 Ca 0.01 -0.69 -0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2kwl h SER 12 Cb 0.60 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2kwl h SER 12 CO 0.04 0.87 0.21 0.50 -0.53 0.00 0.00 176.83 177.92 2kwl h LYS 13 N -0.43 0.45 -0.58 2.24 3.64 -0.40 0.53 116.57 122.02 2kwl h LYS 13 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kwl h LYS 13 Cb 0.88 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2kwl h LYS 13 CO 0.04 0.33 0.37 0.28 -2.27 0.00 0.00 179.45 178.20 2kwl h VAL 14 N 0.44 1.16 0.00 2.00 2.07 -1.40 -2.17 116.25 118.35 2kwl h VAL 14 Ca 0.12 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2kwl h VAL 14 Cb -0.01 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2kwl h VAL 14 CO -0.02 0.16 -0.40 -0.09 0.02 0.00 0.00 177.57 177.23 2kwl h ARG 15 N 0.79 0.00 -0.13 1.57 2.43 -1.16 -2.64 114.38 115.24 2kwl h ARG 15 Ca 0.21 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2kwl h ARG 15 Cb -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2kwl h ARG 15 CO -0.04 0.40 0.15 1.03 -1.51 0.00 0.00 179.97 180.00 2kwl h SER 16 N 0.00 0.00 0.07 -3.80 0.87 -0.21 0.44 113.55 110.91 2kwl h SER 16 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kwl h SER 16 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2kwl h SER 16 CO 0.05 0.00 -0.03 0.40 -0.53 0.00 0.00 176.83 176.72 2kwl h ILE 17 N 0.00 0.97 0.00 2.23 5.03 -1.46 -3.33 117.51 120.95 2kwl h ILE 17 Ca 0.06 -1.51 -0.08 0.00 -0.12 0.00 0.00 64.86 63.21 2kwl h ILE 17 Cb 0.35 1.75 -0.01 0.00 -3.03 0.00 0.00 36.82 35.89 2kwl h ILE 17 CO -0.00 0.30 -0.40 0.16 -0.68 0.00 0.00 178.15 177.53 2kwl h ILE 18 N -0.93 1.24 -0.94 -0.67 3.07 -1.52 -2.89 117.51 114.87 2kwl h ILE 18 Ca -0.01 -1.39 0.27 0.00 1.55 0.00 0.00 64.86 65.28 2kwl h ILE 18 Cb 0.56 1.76 -0.04 0.00 -0.27 0.00 0.00 36.82 38.83 2kwl h ILE 18 CO 0.01 0.39 0.76 0.77 -1.05 0.00 0.00 178.15 179.04 2kwl h SER 19 N 0.00 0.00 0.43 2.16 4.64 -0.25 0.51 113.55 121.04 2kwl h SER 19 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kwl h SER 19 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2kwl h SER 19 CO 0.05 0.00 -0.32 -0.08 -0.87 0.00 0.00 176.83 175.61 2kwl h GLU 20 N 0.00 -0.72 0.07 4.77 4.81 -1.65 0.59 114.58 122.45 2kwl h GLU 20 Ca 0.45 0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.51 2kwl h GLU 20 Cb 1.97 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.50 2kwl h GLU 20 CO -0.00 -0.48 -1.10 1.96 -0.73 0.00 0.00 179.01 178.65 2kwl h GLN 21 N -0.74 0.16 -0.14 1.92 7.50 -1.34 -3.34 115.11 119.13 2kwl h GLN 21 Ca -0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 58.65 58.83 2kwl h GLN 21 Cb 0.64 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 2kwl h GLN 21 CO 0.00 1.13 0.03 -0.07 -1.50 0.00 0.00 178.83 178.42 2kwl h LEU 22 N -0.57 0.16 2.54 1.46 4.07 -0.14 -3.45 115.31 119.37 2kwl h LEU 22 Ca -0.25 -0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.44 2kwl h LEU 22 Cb 1.53 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 2kwl h LEU 22 CO -0.00 0.17 -0.33 -0.67 -1.08 0.00 0.00 178.44 176.54 2kwl n ASP 23 N -4.46 -4.00 -4.87 -0.43 2.03 0.20 -4.94 116.55 100.09 2kwl n ASP 23 Ca -0.01 0.19 -0.25 0.00 0.52 0.00 0.00 54.79 55.24 2kwl n ASP 23 Cb 0.13 -3.41 -0.02 0.00 -0.72 0.00 0.00 41.12 37.10 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 -4.94 2.30 -0.11 -0.67 -0.14 -1.26 -5.06 119.74 109.86 2kwl s LYS 24 Ca 0.00 -1.92 -0.05 0.00 -1.36 0.00 0.00 55.97 52.65 2kwl s LYS 24 Cb 0.00 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 2kwl s LYS 24 CO 0.00 -0.45 0.07 0.15 -0.76 0.00 0.00 175.35 174.36 2kwl s LYS 25 N -4.18 3.26 0.39 1.68 3.01 -1.26 -4.77 119.74 117.87 2kwl s LYS 25 Ca 0.37 -0.26 0.28 0.00 -1.01 0.00 0.00 55.97 55.34 2kwl s LYS 25 Cb -0.01 -3.01 1.32 0.00 -1.01 0.00 0.00 37.83 35.12 2kwl s LYS 25 CO 0.22 0.72 1.85 1.05 0.51 0.00 0.00 175.35 179.70 2kwl h GLU 26 N 5.14 0.00 -0.21 1.68 4.11 -1.95 -1.53 114.58 121.82 2kwl h GLU 26 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2kwl h GLU 26 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kwl h GLU 26 CO 0.57 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.18 2kwl n ASP 27 N -2.53 0.84 -0.31 3.06 2.03 -1.26 -3.66 116.55 114.72 2kwl n ASP 27 Ca 0.00 -2.02 0.05 0.00 0.52 0.00 0.00 54.79 53.35 2kwl n ASP 27 Cb 0.17 -0.13 0.21 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.08 1.40 -1.54 -0.67 -0.58 -0.58 -4.90 120.64 113.70 2kwl n GLU 28 Ca 0.05 -0.61 -0.54 0.00 -0.42 0.00 0.00 57.16 55.64 2kwl n GLU 28 Cb 0.14 -1.21 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.06 0.24 -3.49 -3.67 2.08 -1.24 -4.89 119.36 108.32 2kwl n ILE 29 Ca 0.09 -0.15 -0.11 0.00 0.56 0.00 0.00 62.75 63.14 2kwl n ILE 29 Cb 0.17 -1.39 -0.03 0.00 -0.75 0.00 0.00 39.64 37.64 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 5.63 0.00 -1.11 1.39 -1.32 -1.26 -4.97 115.64 114.00 2kwl s THR 30 Ca 1.06 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.83 2kwl s THR 30 Cb -0.99 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 69.30 2kwl s THR 30 CO 0.57 0.00 1.95 1.07 -2.21 0.00 0.00 174.62 176.00 2kwl n THR 31 N 0.02 0.00 -0.40 5.08 5.66 -1.26 -3.06 114.28 120.32 2kwl n THR 31 Ca -0.13 -0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.95 2kwl n THR 31 Cb 0.61 -0.47 0.32 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.44 4.42 -0.02 1.09 9.92 -1.26 -4.40 116.55 124.87 2kwl n ASP 32 Ca 0.09 -2.47 -0.06 0.00 -0.53 0.00 0.00 54.79 51.83 2kwl n ASP 32 Cb 0.31 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.91 1.15 -1.17 -2.24 7.64 -1.17 -4.97 113.62 113.76 2kwl n SER 33 Ca 0.23 0.17 0.10 0.00 1.01 0.00 0.00 58.87 60.39 2kwl n SER 33 Cb 0.85 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 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 -3.69 -1.50 0.10 1.43 1.74 -1.25 -1.45 116.66 112.03 2kwl n ARG 34 Ca -0.10 0.99 -0.01 0.00 -0.77 0.00 0.00 57.85 57.96 2kwl n ARG 34 Cb 0.34 -1.83 0.25 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.69 0.27 -0.18 -1.55 0.04 -1.90 0.15 116.94 113.08 2kwl h PHE 35 Ca 0.02 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2kwl h PHE 35 Cb 0.68 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 2kwl h PHE 35 CO 0.00 0.57 0.00 -0.39 -0.60 0.00 0.00 178.31 177.89 2kwl h VAL 36 N 0.21 0.88 0.00 -0.55 -1.51 -1.69 0.27 116.25 113.85 2kwl h VAL 36 Ca 0.02 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2kwl h VAL 36 Cb 0.73 0.81 -0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2kwl h VAL 36 CO 0.06 0.01 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.05 2kwl h GLU 37 N 0.06 0.00 0.48 5.19 4.57 -1.18 -3.41 114.58 120.29 2kwl h GLU 37 Ca 0.08 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2kwl h GLU 37 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kwl h GLU 37 CO -0.14 0.27 -0.24 0.22 -1.18 0.00 0.00 179.01 177.94 2kwl h ASP 38 N -1.00 -0.59 -4.30 1.04 3.58 -0.76 -3.44 116.42 110.96 2kwl h ASP 38 Ca -0.04 0.02 -0.48 0.00 0.42 0.00 0.00 57.03 56.96 2kwl h ASP 38 Cb 0.44 0.16 0.12 0.00 1.72 0.00 0.00 39.33 41.77 2kwl h ASP 38 CO -0.02 -0.40 0.33 -0.22 -2.88 0.00 0.00 179.24 176.04 2kwl s LEU 39 N -7.00 2.37 -0.50 2.28 0.20 0.95 -4.97 118.68 112.02 2kwl s LEU 39 Ca -0.10 1.14 0.03 0.00 0.69 0.00 0.00 54.13 55.88 2kwl s LEU 39 Cb 0.01 -3.64 0.59 0.00 -0.43 0.00 0.00 46.19 42.73 2kwl s LEU 39 CO 0.30 -2.17 1.91 -0.46 -0.29 0.00 0.00 176.35 175.64 2kwl n ASN 40 N -3.54 4.78 -1.47 3.68 0.23 -1.25 -4.39 115.26 113.29 2kwl n ASN 40 Ca 0.07 -3.68 -0.03 0.00 -0.53 0.00 0.00 54.58 50.42 2kwl n ASN 40 Cb 0.58 -0.86 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kwl n ALA 41 N -1.08 -0.39 -2.49 -2.53 0.00 -1.26 -5.11 120.51 107.66 2kwl n ALA 41 Ca 0.59 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 2kwl n ALA 41 Cb 1.34 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 21.03 2kwl n ALA 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kwl s ASP 42 N -1.54 5.19 0.62 0.00 2.15 -1.26 -3.50 116.67 118.33 2kwl s ASP 42 Ca 0.05 -0.55 0.30 0.00 0.43 0.00 0.00 52.55 52.78 2kwl s ASP 42 Cb -0.01 -0.91 1.63 0.00 -0.30 0.00 0.00 42.92 43.33 2kwl s ASP 42 CO 0.04 -0.37 1.98 0.77 -0.17 0.00 0.00 175.17 177.42 2kwl h SER 43 N 1.27 0.00 -0.39 -0.34 4.64 -1.97 -1.81 113.55 114.95 2kwl h SER 43 Ca -0.44 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 2kwl h SER 43 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 2kwl h SER 43 CO 0.59 0.00 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.36 2kwl h LEU 44 N 0.00 -0.43 -0.02 5.97 3.38 -2.01 0.35 115.31 122.55 2kwl h LEU 44 Ca 0.09 0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 2kwl h LEU 44 Cb 0.75 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2kwl h LEU 44 CO -0.00 -0.15 -0.53 0.44 0.09 0.00 0.00 178.44 178.29 2kwl h ASP 45 N -0.03 0.00 0.91 -0.43 3.32 -1.74 -3.20 116.42 115.26 2kwl h ASP 45 Ca 0.19 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2kwl h ASP 45 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2kwl h ASP 45 CO -0.42 0.53 -0.29 0.40 -1.72 0.00 0.00 179.24 177.73 2kwl h ILE 46 N 0.00 0.69 -0.26 0.35 1.08 -1.02 -3.15 117.51 115.20 2kwl h ILE 46 Ca -0.01 -1.31 0.06 0.00 -0.39 0.00 0.00 64.86 63.22 2kwl h ILE 46 Cb 1.40 1.85 -0.07 0.00 -3.07 0.00 0.00 36.82 36.93 2kwl h ILE 46 CO 0.07 0.29 -0.23 0.22 -0.69 0.00 0.00 178.15 177.81 2kwl h TYR 47 N 0.00 -0.60 -0.01 1.37 5.03 -0.36 -0.87 116.97 121.53 2kwl h TYR 47 Ca -0.00 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 2kwl h TYR 47 Cb 0.83 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.40 2kwl h TYR 47 CO 0.00 -0.31 -0.59 0.93 -1.32 0.00 0.00 178.16 176.87 2kwl h GLU 48 N -0.22 0.02 0.68 1.82 5.08 -1.76 -1.29 114.58 118.91 2kwl h GLU 48 Ca 0.14 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2kwl h GLU 48 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kwl h GLU 48 CO -0.39 0.61 -0.47 1.25 -1.00 0.00 0.00 179.01 179.00 2kwl h LEU 49 N 0.02 -1.23 -0.43 1.33 7.12 -1.17 -1.05 115.31 119.90 2kwl h LEU 49 Ca -0.01 0.08 -0.17 0.00 0.13 0.00 0.00 57.88 57.92 2kwl h LEU 49 Cb 1.05 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 41.55 2kwl h LEU 49 CO 0.08 -0.70 -0.48 0.17 -0.13 0.00 0.00 178.44 177.39 2kwl h LEU 50 N -1.10 0.86 -0.62 2.25 8.10 -1.30 -1.84 115.31 121.65 2kwl h LEU 50 Ca -0.09 -0.43 0.12 0.00 0.11 0.00 0.00 57.88 57.59 2kwl h LEU 50 Cb 0.90 -0.24 -0.09 0.00 -0.44 0.00 0.00 40.66 40.78 2kwl h LEU 50 CO 0.06 1.19 0.12 0.22 -4.11 0.00 0.00 178.44 175.92 2kwl h TYR 51 N 0.62 0.19 0.00 0.17 3.20 -1.16 0.17 116.97 120.17 2kwl h TYR 51 Ca 0.03 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 2kwl h TYR 51 Cb 1.05 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 2kwl h TYR 51 CO 0.06 -0.05 -0.85 -0.07 -1.64 0.00 0.00 178.16 175.61 2kwl h LEU 52 N 0.25 0.00 -0.28 2.82 4.07 -1.17 -3.17 115.31 117.83 2kwl h LEU 52 Ca 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 2kwl h LEU 52 Cb 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2kwl h LEU 52 CO -0.43 0.85 0.08 0.25 -1.08 0.00 0.00 178.44 178.11 2kwl h LEU 53 N 0.00 0.41 -1.45 1.67 5.85 -0.23 -2.71 115.31 118.85 2kwl h LEU 53 Ca -0.01 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2kwl h LEU 53 Cb 1.57 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2kwl h LEU 53 CO 0.11 0.52 -0.17 1.05 -0.34 0.00 0.00 178.44 179.62 2kwl h GLU 54 N 0.28 0.15 0.00 1.25 4.11 -0.81 -2.10 114.58 117.47 2kwl h GLU 54 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 2kwl h GLU 54 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kwl h GLU 54 CO -0.00 0.32 -0.19 1.49 0.07 0.00 0.00 179.01 180.70 2kwl h GLU 55 N 0.14 0.00 0.00 1.06 4.57 -1.45 0.26 114.58 119.16 2kwl h GLU 55 Ca 0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2kwl h GLU 55 Cb 0.39 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2kwl h GLU 55 CO 0.02 0.19 -0.02 0.00 -1.18 0.00 0.00 179.01 178.03 2kwl h ALA 56 N 1.81 0.99 -0.00 2.92 0.00 -1.20 -3.10 119.26 120.68 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 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kwl h ALA 56 CO 0.03 0.02 -0.54 1.19 0.00 0.00 0.00 179.25 179.95 2kwl n PHE 57 N -3.11 0.00 -2.83 0.00 3.72 -0.59 -5.04 117.46 109.61 2kwl n PHE 57 Ca 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2kwl n PHE 57 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.98 -6.96 -3.64 4.37 8.00 0.80 -5.06 116.55 113.09 2kwl n ASP 58 Ca 0.04 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 2kwl n ASP 58 Cb 0.24 -4.69 -0.07 0.00 -0.02 0.00 0.00 41.12 36.58 2kwl n ASP 58 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kwl s ASP 59 N -2.85 -0.57 0.12 -2.24 1.47 -1.05 -5.04 116.67 106.51 2kwl s ASP 59 Ca 0.00 1.08 -0.30 0.00 1.18 0.00 0.00 52.55 54.51 2kwl s ASP 59 Cb -0.00 1.11 -0.07 0.00 -0.34 0.00 0.00 42.92 43.63 2kwl s ASP 59 CO 0.64 -0.19 1.19 -0.54 0.68 0.00 0.00 175.17 176.95 2kwl s LYS 60 N 0.40 4.47 -0.05 2.11 3.01 -1.26 -4.56 119.74 123.86 2kwl s LYS 60 Ca 0.01 1.80 -0.14 0.00 -1.01 0.00 0.00 55.97 56.63 2kwl s LYS 60 Cb -0.05 -3.30 -0.09 0.00 -1.01 0.00 0.00 37.83 33.38 2kwl s LYS 60 CO -0.05 -0.16 0.56 0.82 0.51 0.00 0.00 175.35 177.03 2kwl h ILE 61 N 4.17 0.23 0.00 2.17 1.08 -1.95 0.32 117.51 123.53 2kwl h ILE 61 Ca -0.43 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 2kwl h ILE 61 Cb 1.21 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2kwl h ILE 61 CO 0.78 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.49 2kwl n PRO 62 N -5.01 0.26 -0.00 2.37 -0.04 -1.26 -0.11 135.00 131.21 2kwl n PRO 62 Ca -0.06 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 2kwl n PRO 62 Cb 0.19 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.23 0.10 0.18 0.54 0.00 -1.23 -4.39 120.64 114.60 2kwl n GLU 63 Ca 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 57.16 57.20 2kwl n GLU 63 Cb 0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 31.44 31.00 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2kwl h ASN 64 N -0.18 -0.43 -0.55 4.31 -1.24 -0.50 -3.28 115.58 113.71 2kwl h ASN 64 Ca 0.00 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.08 2kwl h ASN 64 Cb 0.18 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 2kwl h ASN 64 CO 0.00 -0.10 0.37 -0.33 -1.29 0.00 0.00 177.43 176.07 2kwl h GLU 65 N -0.91 0.52 -0.36 6.67 3.07 -0.84 -0.79 114.58 121.93 2kwl h GLU 65 Ca -0.05 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.88 2kwl h GLU 65 Cb 0.39 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2kwl h GLU 65 CO 0.09 0.35 0.45 0.00 -1.40 0.00 0.00 179.01 178.49 2kwl h ALA 66 N 1.70 2.03 -0.42 3.43 0.00 -0.57 0.14 119.26 125.57 2kwl h ALA 66 Ca 0.24 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2kwl h ALA 66 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kwl h ALA 66 CO -0.07 -0.64 0.33 -2.95 0.00 0.00 0.00 179.25 175.93 2kwl h ASN 67 N 0.00 0.00 -0.15 0.00 7.08 -1.19 -3.17 115.58 118.14 2kwl h ASN 67 Ca 0.17 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.19 2kwl h ASN 67 Cb 1.07 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 37.08 2kwl h ASN 67 CO -0.00 0.00 -0.55 -0.62 -2.08 0.00 0.00 177.43 174.18 2kwl n GLU 68 N -4.21 1.46 -3.96 4.14 -0.58 0.29 -5.13 120.64 112.65 2kwl n GLU 68 Ca 0.07 -1.97 -0.30 0.00 -0.42 0.00 0.00 57.16 54.53 2kwl n GLU 68 Cb 0.52 -0.24 -0.04 0.00 -0.57 0.00 0.00 31.44 31.11 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 -1.10 3.43 0.24 -0.32 5.36 -0.01 -4.89 117.98 120.70 2kwl s PHE 69 Ca 0.16 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2kwl s PHE 69 Cb 0.41 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 2kwl s PHE 69 CO -0.10 0.56 0.00 -1.91 -1.46 0.00 0.00 175.22 172.32 2kwl n GLU 70 N 0.21 0.00 -3.79 10.12 4.07 -1.26 -4.94 120.64 125.05 2kwl n GLU 70 Ca -0.06 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.87 2kwl n GLU 70 Cb 0.52 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.84 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 -2.97 0.00 -0.32 6.31 -2.24 -1.26 -5.03 114.28 108.77 2kwl n THR 71 Ca 0.00 -1.88 0.10 0.00 -2.27 0.00 0.00 64.05 59.99 2kwl n THR 71 Cb 0.00 0.85 0.27 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.73 0.73 -1.01 2.28 2.07 -1.90 -0.10 116.25 120.04 2kwl h VAL 72 Ca -0.21 -0.24 0.25 0.00 0.82 0.00 0.00 66.70 67.32 2kwl h VAL 72 Cb 0.94 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 2kwl h VAL 72 CO 0.31 0.13 0.66 1.23 0.02 0.00 0.00 177.57 179.92 2kwl h GLY 73 N 0.71 1.10 0.76 2.17 0.00 -1.94 0.01 103.07 105.88 2kwl h GLY 73 Ca 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2kwl h GLY 73 CO -0.37 -0.09 -0.07 -0.55 0.00 0.00 0.00 176.54 175.46 2kwl h ASP 74 N 0.40 0.34 -0.87 0.19 5.19 -1.35 -2.88 116.42 117.43 2kwl h ASP 74 Ca 0.56 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2kwl h ASP 74 Cb 1.43 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.81 2kwl h ASP 74 CO -0.26 0.67 0.53 0.58 -3.12 0.00 0.00 179.24 177.64 2kwl h VAL 75 N 0.01 1.24 0.69 -1.35 2.07 -1.02 -0.10 116.25 117.79 2kwl h VAL 75 Ca 0.04 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2kwl h VAL 75 Cb 0.53 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2kwl h VAL 75 CO 0.02 0.25 -0.45 0.58 0.02 0.00 0.00 177.57 177.99 2kwl h VAL 76 N 1.21 0.10 0.00 2.57 2.07 -1.12 0.11 116.25 121.19 2kwl h VAL 76 Ca 0.32 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 2kwl h VAL 76 Cb -0.06 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2kwl h VAL 76 CO -0.06 0.00 -0.06 -0.55 0.02 0.00 0.00 177.57 176.92 2kwl h ASN 77 N -1.08 0.00 0.35 0.57 7.08 -1.40 -1.79 115.58 119.31 2kwl h ASN 77 Ca -0.09 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 2kwl h ASN 77 Cb 0.88 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.12 2kwl h ASN 77 CO 0.07 0.06 -0.17 -0.26 -2.08 0.00 0.00 177.43 175.05 2kwl h PHE 78 N 0.00 -0.43 0.00 4.14 -1.00 -0.39 -2.99 116.94 116.27 2kwl h PHE 78 Ca -0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2kwl h PHE 78 Cb 0.32 0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.02 2kwl h PHE 78 CO 0.00 -0.27 -0.02 0.82 -1.61 0.00 0.00 178.31 177.23 2kwl h ILE 79 N -1.09 0.19 0.22 -0.55 2.04 -0.76 0.25 117.51 117.81 2kwl h ILE 79 Ca -0.05 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2kwl h ILE 79 Cb 0.36 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2kwl h ILE 79 CO 0.08 0.02 -0.10 0.11 0.00 0.00 0.00 178.15 178.26 2kwl h LYS 80 N 0.00 -0.28 0.07 2.37 1.57 -1.36 -2.86 116.57 116.07 2kwl h LYS 80 Ca -0.00 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 2kwl h LYS 80 Cb 0.15 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kwl h LYS 80 CO 0.00 0.05 -1.15 1.57 -0.57 0.00 0.00 179.45 179.36 2kwl h LYS 81 N -0.65 0.14 -0.92 3.15 5.09 -1.34 0.11 116.57 122.16 2kwl h LYS 81 Ca -0.03 -0.24 0.13 0.00 0.09 0.00 0.00 60.65 60.60 2kwl h LYS 81 Cb 0.46 0.09 -0.09 0.00 0.10 0.00 0.00 32.23 32.80 2kwl h LYS 81 CO 0.05 1.10 0.54 0.00 -2.09 0.00 0.00 179.45 179.05 2kwl h ARG 82 N 0.04 0.80 0.01 0.07 3.08 -0.58 -3.18 114.38 114.62 2kwl h ARG 82 Ca -0.08 -0.05 -0.42 0.00 0.07 0.00 0.00 59.98 59.50 2kwl h ARG 82 Cb 1.88 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.69 2kwl h ARG 82 CO 0.17 0.53 -2.40 1.17 -1.07 0.00 0.00 179.97 178.36 2kwl n LYS 83 N -4.73 0.62 -0.67 0.04 0.00 -1.08 -5.06 118.16 107.27 2kwl n LYS 83 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.73 2kwl n LYS 83 Cb 0.37 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.87 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81