#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 3.05 0.00 1.61 0.04 -1.26 -2.44 135.00 136.00 2kwl s PRO 2 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2kwl s PRO 2 Cb 0.00 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2kwl s PRO 2 CO 0.00 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2kwl n GLY 3 N 5.50 2.10 0.83 0.56 0.00 -1.26 -4.90 105.19 108.02 2kwl n GLY 3 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 2.58 -3.68 1.61 3.41 -1.02 -4.90 113.62 111.61 2kwl n SER 4 Ca 0.00 -3.55 -0.29 0.00 -0.26 0.00 0.00 58.87 54.77 2kwl n SER 4 Cb 0.00 -0.57 -0.15 0.00 -0.26 0.00 0.00 64.21 63.23 2kwl n SER 4 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2kwl s MET 5 N -3.11 0.55 0.08 4.33 0.00 -1.12 -4.34 119.30 115.69 2kwl s MET 5 Ca 0.41 -0.77 -0.19 0.00 0.00 0.00 0.00 55.69 55.14 2kwl s MET 5 Cb 0.37 -1.79 0.04 0.00 0.00 0.00 0.00 34.83 33.45 2kwl s MET 5 CO 0.01 -0.92 0.46 -0.51 0.00 0.00 0.00 175.02 174.06 2kwl s ASP 6 N 1.81 -0.34 0.22 1.11 1.01 -1.26 -4.99 116.67 114.22 2kwl s ASP 6 Ca 0.07 -0.05 -0.08 0.00 0.71 0.00 0.00 52.55 53.19 2kwl s ASP 6 Cb -0.17 0.48 0.31 0.00 1.01 0.00 0.00 42.92 44.55 2kwl s ASP 6 CO -0.24 -0.77 1.75 -0.55 0.21 0.00 0.00 175.17 175.56 2kwl h ASN 7 N 2.64 0.28 -0.14 0.27 -1.07 -1.84 0.30 115.58 116.02 2kwl h ASN 7 Ca -0.32 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.12 2kwl h ASN 7 Cb 1.23 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2kwl h ASN 7 CO 0.43 0.16 0.00 -0.90 0.07 0.00 0.00 177.43 177.19 2kwl n ASP 8 N -4.97 1.10 -0.04 6.14 5.68 -1.26 -3.49 116.55 119.72 2kwl n ASP 8 Ca 0.10 -1.71 0.02 0.00 -0.50 0.00 0.00 54.79 52.69 2kwl n ASP 8 Cb 0.29 -0.09 -0.13 0.00 -1.14 0.00 0.00 41.12 40.05 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kwl n GLU 9 N -0.01 0.88 0.22 0.11 -0.58 0.89 -3.87 120.64 118.28 2kwl n GLU 9 Ca 0.13 -0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 2kwl n GLU 9 Cb 0.22 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.55 -0.09 -3.67 2.04 -1.11 0.28 117.51 115.51 2kwl h ILE 10 Ca -0.18 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.18 2kwl h ILE 10 Cb 1.30 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2kwl h ILE 10 CO 0.01 0.06 -0.55 2.19 0.00 0.00 0.00 178.15 179.87 2kwl h PHE 11 N -0.79 0.33 -0.31 1.37 -0.00 -1.81 -1.74 116.94 113.99 2kwl h PHE 11 Ca -0.06 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.97 57.67 2kwl h PHE 11 Cb 0.54 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 36.42 2kwl h PHE 11 CO -0.00 0.75 -0.31 1.03 -0.00 0.00 0.00 178.31 179.77 2kwl h SER 12 N 0.20 0.82 -0.10 -0.68 0.87 -1.66 -0.37 113.55 112.63 2kwl h SER 12 Ca 0.00 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 2kwl h SER 12 Cb 1.02 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2kwl h SER 12 CO 0.09 1.12 -0.07 0.50 -0.53 0.00 0.00 176.83 177.93 2kwl h LYS 13 N 0.53 0.22 -0.34 2.24 3.64 -0.39 -1.31 116.57 121.15 2kwl h LYS 13 Ca 0.05 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2kwl h LYS 13 Cb 0.89 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2kwl h LYS 13 CO 0.08 0.61 -0.03 -0.24 -2.27 0.00 0.00 179.45 177.60 2kwl h VAL 14 N -0.17 1.21 -0.15 2.00 3.04 -1.36 -2.95 116.25 117.87 2kwl h VAL 14 Ca 0.02 -0.86 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 2kwl h VAL 14 Cb 0.56 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2kwl h VAL 14 CO 0.02 0.29 -0.16 -0.09 -1.01 0.00 0.00 177.57 176.62 2kwl h ARG 15 N 0.52 0.38 -0.26 4.17 9.65 -1.02 -2.95 114.38 124.86 2kwl h ARG 15 Ca 0.11 -0.20 0.08 0.00 -1.10 0.00 0.00 59.98 58.86 2kwl h ARG 15 Cb 0.38 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2kwl h ARG 15 CO 0.02 0.76 0.33 1.03 2.80 0.00 0.00 179.97 184.91 2kwl h SER 16 N 0.00 0.00 0.32 -3.80 0.87 -1.07 0.38 113.55 110.25 2kwl h SER 16 Ca 0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 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 0.04 0.00 -0.15 0.40 -0.53 0.00 0.00 176.83 176.59 2kwl h ILE 17 N 0.00 0.66 0.00 2.23 2.04 -1.39 -3.25 117.51 117.79 2kwl h ILE 17 Ca 0.12 -0.62 -0.17 0.00 1.00 0.00 0.00 64.86 65.19 2kwl h ILE 17 Cb 0.78 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2kwl h ILE 17 CO -0.00 0.11 -0.81 0.16 0.00 0.00 0.00 178.15 177.62 2kwl h ILE 18 N -0.79 1.58 -0.86 -0.67 3.07 -1.39 -3.19 117.51 115.26 2kwl h ILE 18 Ca -0.04 -2.76 0.25 0.00 1.55 0.00 0.00 64.86 63.85 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 0.77 -1.05 0.00 0.00 178.15 179.43 2kwl h SER 19 N 0.00 0.00 0.41 2.16 4.64 -0.32 0.50 113.55 120.95 2kwl h SER 19 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2kwl h SER 19 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2kwl h SER 19 CO 0.11 0.00 -0.31 -0.08 -0.87 0.00 0.00 176.83 175.67 2kwl h GLU 20 N 0.00 -0.69 0.07 4.77 4.57 -1.59 0.60 114.58 122.32 2kwl h GLU 20 Ca 0.41 0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.43 2kwl h GLU 20 Cb 1.80 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.54 2kwl h GLU 20 CO -0.00 -0.46 -1.04 0.37 -1.18 0.00 0.00 179.01 176.70 2kwl h GLN 21 N -0.72 0.14 0.00 1.92 5.75 -1.40 -3.33 115.11 117.48 2kwl h GLN 21 Ca -0.04 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 2kwl h GLN 21 Cb 0.61 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 2kwl h GLN 21 CO 0.00 1.12 -0.06 -0.07 -2.65 0.00 0.00 178.83 177.17 2kwl h LEU 22 N -0.61 0.00 0.71 -2.39 4.07 -0.15 -3.45 115.31 113.50 2kwl h LEU 22 Ca -0.24 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.35 2kwl h LEU 22 Cb 1.49 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.18 2kwl h LEU 22 CO -0.01 0.06 -0.55 -0.67 -1.08 0.00 0.00 178.44 176.20 2kwl n ASP 23 N -4.28 -4.04 -4.95 -0.43 2.03 0.21 -4.95 116.55 100.14 2kwl n ASP 23 Ca -0.03 -0.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.72 2kwl n ASP 23 Cb 0.15 -3.34 0.02 0.00 -0.72 0.00 0.00 41.12 37.22 2kwl n ASP 23 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2kwl s LYS 24 N -5.91 2.35 -0.09 -0.67 0.00 -1.25 -5.06 119.74 109.10 2kwl s LYS 24 Ca 0.36 -1.76 -0.04 0.00 0.00 0.00 0.00 55.97 54.52 2kwl s LYS 24 Cb -0.19 -2.38 -0.04 0.00 0.00 0.00 0.00 37.83 35.23 2kwl s LYS 24 CO 0.45 -0.62 0.09 0.15 0.00 0.00 0.00 175.35 175.41 2kwl s LYS 25 N -4.40 3.24 0.48 1.78 3.01 -1.26 -4.83 119.74 117.76 2kwl s LYS 25 Ca 0.47 -0.27 0.32 0.00 -1.01 0.00 0.00 55.97 55.49 2kwl s LYS 25 Cb -0.04 -3.01 1.67 0.00 -1.01 0.00 0.00 37.83 35.44 2kwl s LYS 25 CO 0.29 0.74 1.99 1.05 0.51 0.00 0.00 175.35 179.93 2kwl h GLU 26 N 4.92 0.00 -0.28 1.68 9.09 -1.98 -0.21 114.58 127.80 2kwl h GLU 26 Ca -0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.88 2kwl h GLU 26 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2kwl h GLU 26 CO 0.57 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.16 2kwl n ASP 27 N -2.68 1.31 0.00 3.06 2.03 -1.26 -3.80 116.55 115.21 2kwl n ASP 27 Ca -0.01 -2.02 0.12 0.00 0.52 0.00 0.00 54.79 53.40 2kwl n ASP 27 Cb 0.11 -0.18 0.66 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.17 0.46 -1.43 -0.67 -0.58 -0.09 -4.82 120.64 113.67 2kwl n GLU 28 Ca 0.08 0.04 -0.51 0.00 -0.42 0.00 0.00 57.16 56.35 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 -1.22 0.17 -3.50 -3.67 2.08 -1.25 -4.86 119.36 107.11 2kwl n ILE 29 Ca 0.13 -0.24 -0.10 0.00 0.56 0.00 0.00 62.75 63.11 2kwl n ILE 29 Cb 0.17 -1.56 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 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 7.26 0.00 -1.11 1.39 -1.32 -1.26 -4.96 115.64 115.64 2kwl s THR 30 Ca 1.10 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.88 2kwl s THR 30 Cb -0.90 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 69.39 2kwl s THR 30 CO 0.50 0.00 1.94 0.35 -2.21 0.00 0.00 174.62 175.20 2kwl n THR 31 N -0.10 0.00 0.24 5.08 -2.24 -1.26 -3.06 114.28 112.94 2kwl n THR 31 Ca -0.11 -0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 2kwl n THR 31 Cb 0.62 -0.46 0.23 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.44 3.05 0.00 3.42 9.92 -1.26 -4.31 116.55 125.93 2kwl n ASP 32 Ca 0.09 -2.16 -0.03 0.00 -0.53 0.00 0.00 54.79 52.16 2kwl n ASP 32 Cb 0.32 -0.41 -0.01 0.00 -0.64 0.00 0.00 41.12 40.38 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2kwl n SER 33 N 0.82 0.71 -0.98 -2.24 3.41 -1.17 -4.98 113.62 109.19 2kwl n SER 33 Ca 0.17 0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.92 2kwl n SER 33 Cb 0.54 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 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 -3.38 -0.52 0.17 4.33 1.74 -1.24 -1.51 116.66 116.24 2kwl n ARG 34 Ca -0.05 0.34 0.01 0.00 -0.77 0.00 0.00 57.85 57.39 2kwl n ARG 34 Cb 0.33 -0.64 0.30 0.00 -1.02 0.00 0.00 32.46 31.43 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 -0.24 0.00 -0.21 -1.55 0.04 -1.90 0.22 116.94 113.30 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 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2kwl h PHE 35 CO 0.00 0.45 0.13 -0.39 -0.60 0.00 0.00 178.31 177.91 2kwl h VAL 36 N 0.00 1.06 0.00 -0.55 -1.51 -1.66 0.28 116.25 113.86 2kwl h VAL 36 Ca -0.00 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 2kwl h VAL 36 Cb 0.80 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2kwl h VAL 36 CO 0.06 0.05 -0.17 -0.33 -1.23 0.00 0.00 177.57 175.95 2kwl h GLU 37 N 0.27 0.00 0.47 5.19 4.39 -1.20 -3.41 114.58 120.29 2kwl h GLU 37 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2kwl h GLU 37 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kwl h GLU 37 CO -0.02 0.29 -0.22 0.22 -1.16 0.00 0.00 179.01 178.12 2kwl h ASP 38 N -1.00 -0.53 -3.91 1.42 3.58 -1.05 -3.45 116.42 111.48 2kwl h ASP 38 Ca -0.02 0.02 -0.44 0.00 0.42 0.00 0.00 57.03 57.00 2kwl h ASP 38 Cb 0.39 0.14 0.17 0.00 1.72 0.00 0.00 39.33 41.75 2kwl h ASP 38 CO -0.01 -0.35 0.38 -0.76 -2.88 0.00 0.00 179.24 175.62 2kwl s LEU 39 N -7.06 2.40 -0.47 2.28 1.02 0.99 -5.00 118.68 112.85 2kwl s LEU 39 Ca -0.09 0.29 0.04 0.00 0.02 0.00 0.00 54.13 54.38 2kwl s LEU 39 Cb 0.01 -2.26 0.44 0.00 0.02 0.00 0.00 46.19 44.40 2kwl s LEU 39 CO 0.27 -3.00 1.47 -0.46 0.02 0.00 0.00 176.35 174.65 2kwl n ASN 40 N -3.95 5.84 -2.46 2.29 0.23 -1.24 -4.38 115.26 111.59 2kwl n ASN 40 Ca 0.15 -3.76 -0.06 0.00 -0.53 0.00 0.00 54.58 50.38 2kwl n ASN 40 Cb 0.59 -0.59 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.71 -1.51 -2.79 -2.53 0.00 -1.25 -5.09 120.51 106.63 2kwl n ALA 41 Ca 0.49 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 2kwl n ALA 41 Cb 0.77 0.75 -0.05 0.00 0.00 0.00 0.00 19.45 20.92 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 -2.67 5.39 0.59 0.00 1.01 -1.26 -3.25 116.67 116.48 2kwl s ASP 42 Ca 0.13 -0.28 0.29 0.00 0.71 0.00 0.00 52.55 53.41 2kwl s ASP 42 Cb -0.04 -1.34 1.41 0.00 1.01 0.00 0.00 42.92 43.97 2kwl s ASP 42 CO 0.09 -0.01 1.82 0.28 0.21 0.00 0.00 175.17 177.55 2kwl h SER 43 N 1.75 0.00 -0.43 0.27 0.02 -1.97 -0.88 113.55 112.31 2kwl h SER 43 Ca -0.48 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2kwl h SER 43 Cb 1.23 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 2kwl h SER 43 CO 0.61 0.00 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.12 2kwl h LEU 44 N 0.00 -0.42 -0.01 5.07 3.38 -2.01 0.26 115.31 121.58 2kwl h LEU 44 Ca 0.27 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 2kwl h LEU 44 Cb 1.45 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2kwl h LEU 44 CO -0.00 -0.15 -0.33 -0.78 0.09 0.00 0.00 178.44 177.27 2kwl h ASP 45 N -0.01 0.00 0.78 -0.43 3.58 -1.57 -3.21 116.42 115.56 2kwl h ASP 45 Ca 0.21 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 2kwl h ASP 45 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2kwl h ASP 45 CO -0.45 0.33 -0.45 0.40 -2.88 0.00 0.00 179.24 176.20 2kwl h ILE 46 N 0.00 1.05 -0.52 2.25 1.08 -0.84 -3.17 117.51 117.36 2kwl h ILE 46 Ca -0.00 -1.70 0.10 0.00 -0.39 0.00 0.00 64.86 62.86 2kwl h ILE 46 Cb 1.25 2.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.91 2kwl h ILE 46 CO 0.04 0.44 -0.00 0.22 -0.69 0.00 0.00 178.15 178.16 2kwl h TYR 47 N 0.00 -0.04 -0.18 1.37 5.03 -0.56 -0.89 116.97 121.71 2kwl h TYR 47 Ca -0.00 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.18 2kwl h TYR 47 Cb 0.96 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 2kwl h TYR 47 CO 0.00 -0.13 -0.58 0.93 -1.32 0.00 0.00 178.16 177.07 2kwl h GLU 48 N 0.11 0.58 0.37 1.82 5.08 -1.75 -1.12 114.58 119.67 2kwl h GLU 48 Ca 0.27 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2kwl h GLU 48 Cb 0.41 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2kwl h GLU 48 CO -0.44 0.99 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.98 2kwl h LEU 49 N 0.44 -1.44 -0.61 1.33 3.38 -1.18 -0.66 115.31 116.57 2kwl h LEU 49 Ca 0.00 0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2kwl h LEU 49 Cb 1.13 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2kwl h LEU 49 CO 0.11 -0.62 -0.30 0.17 0.09 0.00 0.00 178.44 177.88 2kwl h LEU 50 N -0.91 0.80 -0.60 1.67 8.10 -1.34 -1.67 115.31 121.37 2kwl h LEU 50 Ca -0.04 -0.33 0.12 0.00 0.11 0.00 0.00 57.88 57.74 2kwl h LEU 50 Cb 0.83 -0.22 -0.09 0.00 -0.44 0.00 0.00 40.66 40.73 2kwl h LEU 50 CO -0.13 1.05 0.11 0.22 -4.11 0.00 0.00 178.44 175.57 2kwl h TYR 51 N 0.66 0.16 0.00 0.17 3.20 -0.93 0.81 116.97 121.04 2kwl h TYR 51 Ca 0.07 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.84 2kwl h TYR 51 Cb 0.84 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 2kwl h TYR 51 CO 0.04 -0.05 -0.69 -0.07 -1.64 0.00 0.00 178.16 175.75 2kwl h LEU 52 N 0.23 0.00 -0.23 2.82 4.07 -1.06 -3.17 115.31 117.96 2kwl h LEU 52 Ca 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 2kwl h LEU 52 Cb 0.48 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2kwl h LEU 52 CO -0.42 0.69 0.07 0.25 -1.08 0.00 0.00 178.44 177.95 2kwl h LEU 53 N 0.00 0.34 -1.40 1.67 5.85 -0.10 -1.95 115.31 119.72 2kwl h LEU 53 Ca -0.01 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 2kwl h LEU 53 Cb 1.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2kwl h LEU 53 CO 0.09 0.46 -0.30 1.05 -0.34 0.00 0.00 178.44 179.40 2kwl h GLU 54 N 0.21 0.00 -0.31 1.25 4.11 -1.00 -2.88 114.58 115.96 2kwl h GLU 54 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 2kwl h GLU 54 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kwl h GLU 54 CO -0.00 0.30 -0.17 1.49 0.07 0.00 0.00 179.01 180.70 2kwl h GLU 55 N 0.00 0.66 -0.01 1.06 4.81 -1.46 0.30 114.58 119.95 2kwl h GLU 55 Ca -0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2kwl h GLU 55 Cb 0.54 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2kwl h GLU 55 CO 0.04 0.89 0.06 0.00 -0.73 0.00 0.00 179.01 179.26 2kwl h ALA 56 N 0.76 1.15 -0.00 2.92 0.00 -1.13 -0.36 119.26 122.60 2kwl h ALA 56 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kwl h ALA 56 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kwl h ALA 56 CO 0.05 -0.06 -0.41 1.19 0.00 0.00 0.00 179.25 180.01 2kwl n PHE 57 N -3.19 0.00 -2.71 0.00 3.72 -1.04 -5.05 117.46 109.19 2kwl n PHE 57 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 2kwl n PHE 57 Cb 0.13 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.96 -7.02 -3.62 4.37 9.92 0.96 -5.07 116.55 115.14 2kwl n ASP 58 Ca 0.03 0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 54.43 2kwl n ASP 58 Cb 0.18 -4.72 -0.07 0.00 -0.64 0.00 0.00 41.12 35.88 2kwl n ASP 58 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kwl s ASP 59 N -2.55 -0.55 -0.00 -2.24 1.01 -0.63 -5.01 116.67 106.70 2kwl s ASP 59 Ca 0.13 0.97 -0.30 0.00 0.71 0.00 0.00 52.55 54.06 2kwl s ASP 59 Cb -0.04 0.95 -0.04 0.00 1.01 0.00 0.00 42.92 44.81 2kwl s ASP 59 CO 0.65 -0.25 1.09 -0.54 0.21 0.00 0.00 175.17 176.33 2kwl s LYS 60 N -0.04 4.46 -0.06 8.23 3.01 -1.26 -4.51 119.74 129.58 2kwl s LYS 60 Ca 0.00 1.58 -0.13 0.00 -1.01 0.00 0.00 55.97 56.41 2kwl s LYS 60 Cb -0.04 -3.45 -0.08 0.00 -1.01 0.00 0.00 37.83 33.25 2kwl s LYS 60 CO -0.01 -0.22 0.51 0.82 0.51 0.00 0.00 175.35 176.96 2kwl h ILE 61 N 4.78 0.15 0.00 2.17 1.08 -1.94 0.31 117.51 124.05 2kwl h ILE 61 Ca -0.39 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2kwl h ILE 61 Cb 1.20 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2kwl h ILE 61 CO 0.81 0.04 0.00 -0.81 -0.69 0.00 0.00 178.15 177.50 2kwl n PRO 62 N -5.01 0.28 -0.00 2.37 -0.04 -1.26 0.46 135.00 131.79 2kwl n PRO 62 Ca -0.05 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2kwl n PRO 62 Cb 0.18 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.21 0.09 0.09 0.54 0.00 -1.23 -4.45 120.64 114.47 2kwl n GLU 63 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 57.16 57.23 2kwl n GLU 63 Cb 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 31.44 31.03 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 -0.17 -0.25 -0.02 4.31 -1.24 -0.54 -3.28 115.58 114.39 2kwl h ASN 64 Ca 0.00 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.02 2kwl h ASN 64 Cb 0.17 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 2kwl h ASN 64 CO 0.00 0.07 0.04 -0.33 -1.29 0.00 0.00 177.43 175.92 2kwl h GLU 65 N -0.81 0.00 0.00 6.67 5.08 -0.76 0.27 114.58 125.03 2kwl h GLU 65 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kwl h GLU 65 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kwl h GLU 65 CO 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 2kwl n ALA 66 N -2.18 1.45 0.28 3.43 0.00 0.17 -2.13 120.51 121.54 2kwl n ALA 66 Ca -0.02 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.60 2kwl n ALA 66 Cb 0.12 -1.26 0.87 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.03 0.00 -0.00 -1.03 -3.28 115.58 111.24 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 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 38.37 2kwl h ASN 67 CO 0.00 0.00 -0.34 1.21 -0.00 0.00 0.00 177.43 178.30 2kwl n GLU 68 N -3.94 1.31 -3.87 4.14 4.07 -1.02 -5.14 120.64 116.20 2kwl n GLU 68 Ca -0.03 -1.53 -0.31 0.00 -0.06 0.00 0.00 57.16 55.23 2kwl n GLU 68 Cb 0.10 0.17 -0.04 0.00 -0.06 0.00 0.00 31.44 31.62 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 0.00 3.51 0.31 4.31 5.36 -0.90 -4.88 117.98 125.68 2kwl s PHE 69 Ca 0.15 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 2kwl s PHE 69 Cb 0.43 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 41.30 2kwl s PHE 69 CO -0.11 0.55 0.00 -1.91 -1.46 0.00 0.00 175.22 172.29 2kwl n GLU 70 N 0.22 0.00 -3.50 10.12 4.07 -1.26 -4.99 120.64 125.30 2kwl n GLU 70 Ca -0.04 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.93 2kwl n GLU 70 Cb 0.51 0.00 -0.03 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 -3.15 0.00 -0.32 6.31 -2.24 -1.26 -5.03 114.28 108.59 2kwl n THR 71 Ca 0.00 -1.50 0.12 0.00 -2.27 0.00 0.00 64.05 60.39 2kwl n THR 71 Cb 0.00 0.87 0.29 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.79 0.64 -1.01 2.28 2.07 -1.91 0.67 116.25 120.78 2kwl h VAL 72 Ca -0.20 -0.21 0.26 0.00 0.82 0.00 0.00 66.70 67.36 2kwl h VAL 72 Cb 0.92 -0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 2kwl h VAL 72 CO 0.28 0.11 0.67 1.23 0.02 0.00 0.00 177.57 179.88 2kwl h GLY 73 N 0.62 0.95 0.77 2.17 0.00 -1.93 0.28 103.07 105.92 2kwl h GLY 73 Ca 0.55 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 2kwl h GLY 73 CO -0.42 -0.08 -0.12 -0.55 0.00 0.00 0.00 176.54 175.37 2kwl h ASP 74 N 0.34 0.40 -0.00 0.19 5.19 -1.20 -2.80 116.42 118.53 2kwl h ASP 74 Ca 0.55 -0.45 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2kwl h ASP 74 Cb 1.51 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 2kwl h ASP 74 CO -0.22 0.76 0.00 0.58 -3.12 0.00 0.00 179.24 177.24 2kwl h VAL 75 N 0.05 1.07 -0.49 -1.35 2.07 -0.98 0.24 116.25 116.85 2kwl h VAL 75 Ca 0.03 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.45 2kwl h VAL 75 Cb 0.63 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 2kwl h VAL 75 CO 0.03 0.05 -0.06 0.58 0.02 0.00 0.00 177.57 178.19 2kwl h VAL 76 N -0.08 0.55 0.00 2.57 2.07 -1.16 0.33 116.25 120.54 2kwl h VAL 76 Ca 0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2kwl h VAL 76 Cb 0.08 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2kwl h VAL 76 CO -0.00 0.01 -0.15 -1.13 0.02 0.00 0.00 177.57 176.32 2kwl h ASN 77 N 0.05 0.00 0.26 0.57 -1.24 -1.36 -2.91 115.58 110.95 2kwl h ASN 77 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 2kwl h ASN 77 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 2kwl h ASN 77 CO -0.46 0.15 -0.12 -0.26 -1.29 0.00 0.00 177.43 175.44 2kwl h PHE 78 N 0.00 -0.32 -0.33 0.67 -1.00 0.21 -3.22 116.94 112.95 2kwl h PHE 78 Ca -0.00 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.87 2kwl h PHE 78 Cb 0.85 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 2kwl h PHE 78 CO 0.00 -0.20 0.28 0.82 -1.61 0.00 0.00 178.31 177.60 2kwl h ILE 79 N -0.99 0.64 0.39 -0.55 2.04 -0.58 0.35 117.51 118.81 2kwl h ILE 79 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2kwl h ILE 79 Cb 0.26 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2kwl h ILE 79 CO 0.06 0.00 -0.24 0.11 0.00 0.00 0.00 178.15 178.08 2kwl h LYS 80 N 0.00 -0.58 0.00 2.37 1.57 -1.57 0.26 116.57 118.62 2kwl h LYS 80 Ca 0.16 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 2kwl h LYS 80 Cb 0.72 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 2kwl h LYS 80 CO -0.00 -0.39 -0.86 1.57 -0.57 0.00 0.00 179.45 179.21 2kwl h LYS 81 N -0.60 0.00 0.00 3.15 2.10 -1.40 0.21 116.57 120.03 2kwl h LYS 81 Ca -0.04 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 2kwl h LYS 81 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2kwl h LYS 81 CO 0.04 0.66 -0.25 -0.09 -2.00 0.00 0.00 179.45 177.82 2kwl h ARG 82 N 0.00 0.00 0.00 0.07 2.43 -0.21 -3.35 114.38 113.32 2kwl h ARG 82 Ca -0.04 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2kwl h ARG 82 Cb 1.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 2kwl h ARG 82 CO 0.09 0.25 -1.37 1.17 -1.51 0.00 0.00 179.97 178.59 2kwl n LYS 83 N -3.38 0.36 -0.56 0.20 4.81 0.92 -5.01 118.16 115.48 2kwl n LYS 83 Ca 0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2kwl n LYS 83 Cb 0.45 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.40 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98