#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 -1.96 0.00 1.61 -0.04 -1.26 -4.82 135.00 128.53 2kwl n PRO 2 Ca 0.00 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2kwl n PRO 2 Cb 0.00 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.72 1.25 3.52 0.55 0.00 -1.26 -5.08 105.19 103.46 2kwl n GLY 3 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.07 -2.25 1.61 2.88 -1.26 -4.78 113.62 111.89 2kwl n SER 4 Ca 0.00 -0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.41 2kwl n SER 4 Cb 0.00 -1.38 -0.02 0.00 -0.75 0.00 0.00 64.21 62.06 2kwl n SER 4 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2kwl n MET 5 N 8.67 0.47 -0.24 -1.46 2.81 -1.26 -5.03 117.12 121.09 2kwl n MET 5 Ca 0.42 -1.73 0.18 0.00 -1.81 0.00 0.00 57.70 54.76 2kwl n MET 5 Cb 0.36 1.71 0.50 0.00 -0.71 0.00 0.00 33.22 35.08 2kwl n MET 5 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2kwl h ASP 6 N 1.25 0.42 -0.40 7.83 3.32 -1.96 -1.26 116.42 125.62 2kwl h ASP 6 Ca -0.18 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.00 2kwl h ASP 6 Cb 0.75 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.18 2kwl h ASP 6 CO 0.24 0.17 -0.19 0.78 -1.72 0.00 0.00 179.24 178.52 2kwl h ASN 7 N 0.43 -0.64 -0.42 6.45 2.35 -1.91 0.22 115.58 122.06 2kwl h ASN 7 Ca 0.47 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.37 2kwl h ASN 7 Cb 1.13 0.35 0.00 0.00 0.05 0.00 0.00 38.32 39.85 2kwl h ASN 7 CO -0.18 -0.22 0.00 0.47 -1.65 0.00 0.00 177.43 175.85 2kwl n ASP 8 N -5.37 2.81 -0.04 5.81 9.92 -0.56 -3.81 116.55 125.31 2kwl n ASP 8 Ca 0.02 -2.16 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 2kwl n ASP 8 Cb 0.28 -0.39 -0.13 0.00 -0.64 0.00 0.00 41.12 40.24 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2kwl n GLU 9 N 0.68 0.95 0.20 -1.24 2.13 0.61 -3.94 120.64 120.03 2kwl n GLU 9 Ca 0.15 -0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.76 2kwl n GLU 9 Cb 0.51 -1.41 -0.07 0.00 0.27 0.00 0.00 31.44 30.73 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kwl h ILE 10 N 0.00 0.50 -0.06 6.31 2.04 -1.24 0.26 117.51 125.32 2kwl h ILE 10 Ca -0.22 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 2kwl h ILE 10 Cb 1.39 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2kwl h ILE 10 CO 0.01 0.09 -0.35 2.19 0.00 0.00 0.00 178.15 180.09 2kwl h PHE 11 N -0.90 0.12 -0.05 1.37 -0.00 -1.81 -1.74 116.94 113.94 2kwl h PHE 11 Ca -0.05 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.82 2kwl h PHE 11 Cb 0.55 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2kwl h PHE 11 CO 0.02 0.45 -0.23 0.77 -0.00 0.00 0.00 178.31 179.32 2kwl h SER 12 N 0.10 0.28 -0.47 -0.68 0.02 -1.67 -2.33 113.55 108.80 2kwl h SER 12 Ca 0.01 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 2kwl h SER 12 Cb 0.67 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2kwl h SER 12 CO 0.05 0.89 0.24 0.50 -1.14 0.00 0.00 176.83 177.37 2kwl h LYS 13 N -0.31 0.66 -0.39 3.45 3.64 -0.40 0.54 116.57 123.76 2kwl h LYS 13 Ca -0.01 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2kwl h LYS 13 Cb 0.88 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2kwl h LYS 13 CO 0.05 0.54 0.22 0.28 -2.27 0.00 0.00 179.45 178.27 2kwl h VAL 14 N 0.61 1.14 0.00 2.00 2.07 -1.39 -2.37 116.25 118.31 2kwl h VAL 14 Ca 0.16 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2kwl h VAL 14 Cb 0.09 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2kwl h VAL 14 CO -0.02 0.14 -0.39 -0.09 0.02 0.00 0.00 177.57 177.23 2kwl h ARG 15 N 0.51 0.00 0.00 1.57 9.65 -1.22 -2.57 114.38 122.32 2kwl h ARG 15 Ca 0.14 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2kwl h ARG 15 Cb 0.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2kwl h ARG 15 CO -0.02 0.39 -0.20 1.03 2.80 0.00 0.00 179.97 183.97 2kwl h SER 16 N 0.00 0.00 0.06 -3.80 0.87 -0.37 0.36 113.55 110.67 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 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kwl h SER 16 CO 0.05 0.20 -0.03 0.40 -0.53 0.00 0.00 176.83 176.92 2kwl h ILE 17 N 0.00 1.03 0.00 2.23 2.04 -1.18 -3.33 117.51 118.30 2kwl h ILE 17 Ca -0.00 -1.56 -0.08 0.00 1.00 0.00 0.00 64.86 64.22 2kwl h ILE 17 Cb 0.39 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2kwl h ILE 17 CO 0.03 0.32 -0.38 0.16 0.00 0.00 0.00 178.15 178.27 2kwl h ILE 18 N -0.93 1.19 -0.98 -0.67 3.07 -1.46 -2.90 117.51 114.83 2kwl h ILE 18 Ca -0.01 -1.35 0.28 0.00 1.55 0.00 0.00 64.86 65.34 2kwl h ILE 18 Cb 0.58 1.74 -0.04 0.00 -0.27 0.00 0.00 36.82 38.84 2kwl h ILE 18 CO 0.01 0.37 0.79 -1.28 -1.05 0.00 0.00 178.15 176.99 2kwl h SER 19 N 0.00 0.00 0.45 2.16 0.87 -0.37 0.53 113.55 117.19 2kwl h SER 19 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kwl h SER 19 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2kwl h SER 19 CO 0.05 0.00 -0.35 -0.08 -0.53 0.00 0.00 176.83 175.92 2kwl h GLU 20 N 0.00 -0.76 0.08 2.24 4.22 -1.66 0.58 114.58 119.27 2kwl h GLU 20 Ca 0.47 0.05 -0.23 0.00 0.08 0.00 0.00 59.36 59.73 2kwl h GLU 20 Cb 2.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.45 2kwl h GLU 20 CO -0.00 -0.51 -1.17 1.96 -2.18 0.00 0.00 179.01 177.10 2kwl h GLN 21 N -0.79 0.17 -0.09 1.92 1.08 -1.35 -3.34 115.11 112.70 2kwl h GLN 21 Ca -0.04 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 2kwl h GLN 21 Cb 0.68 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2kwl h GLN 21 CO -0.01 1.14 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.93 2kwl h LEU 22 N -0.53 0.11 2.25 1.46 4.07 -0.09 -3.45 115.31 119.12 2kwl h LEU 22 Ca -0.27 -0.01 -0.30 0.00 0.08 0.00 0.00 57.88 57.39 2kwl h LEU 22 Cb 1.57 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 43.24 2kwl h LEU 22 CO 0.00 0.14 -0.36 -0.67 -1.08 0.00 0.00 178.44 176.48 2kwl n ASP 23 N -4.45 -4.37 -4.86 -0.43 2.03 0.20 -4.95 116.55 99.72 2kwl n ASP 23 Ca -0.02 0.20 -0.21 0.00 0.52 0.00 0.00 54.79 55.28 2kwl n ASP 23 Cb 0.14 -3.76 -0.04 0.00 -0.72 0.00 0.00 41.12 36.74 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 -4.55 2.48 -0.06 -0.67 -0.14 -1.26 -5.06 119.74 110.49 2kwl s LYS 24 Ca 0.00 -1.59 -0.03 0.00 -1.36 0.00 0.00 55.97 52.99 2kwl s LYS 24 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 2kwl s LYS 24 CO 0.00 -0.19 0.10 -1.59 -0.76 0.00 0.00 175.35 172.91 2kwl s LYS 25 N -4.10 3.23 0.38 1.68 0.00 -1.26 -4.72 119.74 114.94 2kwl s LYS 25 Ca 0.47 -0.33 0.27 0.00 0.00 0.00 0.00 55.97 56.37 2kwl s LYS 25 Cb -0.02 -2.99 1.35 0.00 0.00 0.00 0.00 37.83 36.17 2kwl s LYS 25 CO 0.27 0.70 1.81 1.05 0.00 0.00 0.00 175.35 179.18 2kwl h GLU 26 N 4.54 0.00 -0.28 1.78 -0.00 -1.95 -0.94 114.58 117.74 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 -3.47 -0.00 0.00 0.00 179.01 176.14 2kwl n ASP 27 N -2.44 0.82 -0.17 3.06 2.03 -1.26 -3.67 116.55 114.92 2kwl n ASP 27 Ca -0.01 -2.03 0.07 0.00 0.52 0.00 0.00 54.79 53.34 2kwl n ASP 27 Cb 0.10 -0.16 0.35 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.12 1.22 -1.55 -0.67 -0.58 -0.36 -4.86 120.64 113.72 2kwl n GLU 28 Ca 0.04 -0.33 -0.47 0.00 -0.42 0.00 0.00 57.16 55.98 2kwl n GLU 28 Cb 0.15 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 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 -0.38 0.31 -3.50 -3.67 2.08 -1.24 -4.81 119.36 108.14 2kwl n ILE 29 Ca 0.11 -0.35 -0.08 0.00 0.56 0.00 0.00 62.75 62.99 2kwl n ILE 29 Cb 0.12 -2.14 -0.02 0.00 -0.75 0.00 0.00 39.64 36.85 2kwl n ILE 29 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2kwl s THR 30 N 7.50 0.00 -0.59 1.39 -4.23 -1.26 -4.96 115.64 113.50 2kwl s THR 30 Ca 1.03 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.79 2kwl s THR 30 Cb -0.58 -1.00 0.30 0.00 1.34 0.00 0.00 72.50 72.56 2kwl s THR 30 CO 0.42 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 176.17 2kwl h THR 31 N 2.00 0.00 -0.13 3.99 1.03 -1.97 -3.09 112.91 114.75 2kwl h THR 31 Ca -0.22 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.46 2kwl h THR 31 Cb 1.24 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 2kwl h THR 31 CO 0.31 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 175.15 2kwl n ASP 32 N -2.64 1.57 -0.09 0.00 -0.08 -1.26 -4.24 116.55 109.82 2kwl n ASP 32 Ca 0.05 -1.65 -0.11 0.00 -1.51 0.00 0.00 54.79 51.56 2kwl n ASP 32 Cb 0.48 -0.08 -0.04 0.00 2.34 0.00 0.00 41.12 43.82 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kwl n SER 33 N 0.25 1.85 -0.93 1.67 7.64 -1.17 -4.94 113.62 117.99 2kwl n SER 33 Ca 0.17 0.31 0.06 0.00 1.01 0.00 0.00 58.87 60.42 2kwl n SER 33 Cb 0.33 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 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 -4.34 -0.89 0.21 1.43 1.74 -1.24 -1.47 116.66 112.11 2kwl n ARG 34 Ca -0.19 0.58 0.07 0.00 -0.77 0.00 0.00 57.85 57.55 2kwl n ARG 34 Cb 0.53 -1.08 0.45 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.41 0.00 -0.07 -1.55 0.04 -1.90 0.12 116.94 113.18 2kwl h PHE 35 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2kwl h PHE 35 Cb 0.40 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2kwl h PHE 35 CO 0.00 0.30 0.01 -0.39 -0.60 0.00 0.00 178.31 177.63 2kwl h VAL 36 N 0.00 1.21 0.00 -0.55 -1.51 -1.68 -0.00 116.25 113.72 2kwl h VAL 36 Ca -0.00 -0.64 -0.02 0.00 -1.23 0.00 0.00 66.70 64.81 2kwl h VAL 36 Cb 0.71 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2kwl h VAL 36 CO 0.04 0.18 -0.29 -0.33 -1.23 0.00 0.00 177.57 175.94 2kwl h GLU 37 N -0.12 0.00 0.31 5.19 4.39 -1.19 -3.40 114.58 119.76 2kwl h GLU 37 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kwl h GLU 37 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2kwl h GLU 37 CO 0.00 0.19 -0.27 0.22 -1.16 0.00 0.00 179.01 177.99 2kwl h ASP 38 N -1.00 -0.71 -6.13 1.42 1.82 -0.84 -3.44 116.42 107.54 2kwl h ASP 38 Ca -0.03 0.06 -0.44 0.00 -0.39 0.00 0.00 57.03 56.23 2kwl h ASP 38 Cb 0.39 0.24 0.04 0.00 0.68 0.00 0.00 39.33 40.68 2kwl h ASP 38 CO -0.02 -0.40 -0.02 0.18 -1.61 0.00 0.00 179.24 177.37 2kwl n LEU 39 N -5.39 0.00 -2.29 2.28 4.77 -0.02 -4.98 117.00 111.37 2kwl n LEU 39 Ca -0.09 -2.20 -0.28 0.00 -0.03 0.00 0.00 56.01 53.41 2kwl n LEU 39 Cb 0.30 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2kwl n LEU 39 CO 0.30 -0.75 0.49 -3.20 -1.33 0.00 0.00 177.39 172.90 2kwl n ASN 40 N -2.51 5.50 -3.52 -1.43 5.15 -1.22 -4.25 115.26 112.98 2kwl n ASN 40 Ca 0.15 -3.75 -0.12 0.00 -0.60 0.00 0.00 54.58 50.26 2kwl n ASN 40 Cb 0.55 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 39.23 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kwl s ALA 41 N -3.66 -1.35 0.40 5.20 0.00 -1.24 -5.08 121.76 116.04 2kwl s ALA 41 Ca 0.52 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 2kwl s ALA 41 Cb 0.42 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 24.21 2kwl s ALA 41 CO -0.08 -0.67 0.70 -0.51 0.00 0.00 0.00 175.76 175.20 2kwl s ASP 42 N -2.59 6.39 0.58 0.00 1.11 -1.26 -3.52 116.67 117.38 2kwl s ASP 42 Ca 0.00 0.89 0.29 0.00 0.18 0.00 0.00 52.55 53.92 2kwl s ASP 42 Cb -0.00 -2.22 1.44 0.00 1.07 0.00 0.00 42.92 43.20 2kwl s ASP 42 CO -0.10 -0.40 1.84 0.77 1.18 0.00 0.00 175.17 178.46 2kwl h SER 43 N 0.94 0.00 -0.43 0.27 4.64 -1.97 -0.49 113.55 116.51 2kwl h SER 43 Ca -0.47 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.92 2kwl h SER 43 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2kwl h SER 43 CO 0.63 0.00 0.03 -0.07 -0.87 0.00 0.00 176.83 176.55 2kwl h LEU 44 N 0.00 -0.12 0.00 5.97 3.38 -2.01 0.37 115.31 122.90 2kwl h LEU 44 Ca 0.28 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 2kwl h LEU 44 Cb 1.44 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2kwl h LEU 44 CO -0.00 -0.02 -0.31 -0.78 0.09 0.00 0.00 178.44 177.41 2kwl h ASP 45 N 0.14 0.00 1.08 -0.43 3.58 -1.48 -3.21 116.42 116.10 2kwl h ASP 45 Ca 0.21 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 2kwl h ASP 45 Cb 0.29 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2kwl h ASP 45 CO -0.33 0.31 -0.50 0.40 -2.88 0.00 0.00 179.24 176.24 2kwl h ILE 46 N 0.00 0.99 -0.40 2.25 1.08 -0.83 -3.24 117.51 117.36 2kwl h ILE 46 Ca -0.00 -1.99 0.08 0.00 -0.39 0.00 0.00 64.86 62.56 2kwl h ILE 46 Cb 1.24 2.21 -0.09 0.00 -3.07 0.00 0.00 36.82 37.11 2kwl h ILE 46 CO 0.04 0.49 -0.19 0.22 -0.69 0.00 0.00 178.15 178.02 2kwl h TYR 47 N 0.00 -0.47 -0.18 1.37 5.03 -0.32 -0.55 116.97 121.85 2kwl h TYR 47 Ca -0.00 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 2kwl h TYR 47 Cb 1.17 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 39.71 2kwl h TYR 47 CO 0.00 -0.27 -0.41 0.93 -1.32 0.00 0.00 178.16 177.09 2kwl h GLU 48 N -0.11 0.42 0.42 1.82 5.08 -1.76 -0.70 114.58 119.75 2kwl h GLU 48 Ca 0.20 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kwl h GLU 48 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2kwl h GLU 48 CO -0.47 0.77 -0.51 1.25 -1.00 0.00 0.00 179.01 179.04 2kwl h LEU 49 N 0.35 -1.44 -0.44 1.33 5.85 -1.17 0.18 115.31 119.98 2kwl h LEU 49 Ca 0.03 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 2kwl h LEU 49 Cb 0.88 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2kwl h LEU 49 CO 0.07 -0.64 -0.45 0.17 -0.34 0.00 0.00 178.44 177.25 2kwl h LEU 50 N -0.95 0.88 -0.45 2.25 8.10 -1.33 -1.71 115.31 122.09 2kwl h LEU 50 Ca -0.05 -0.42 0.07 0.00 0.11 0.00 0.00 57.88 57.58 2kwl h LEU 50 Cb 0.85 -0.25 -0.06 0.00 -0.44 0.00 0.00 40.66 40.76 2kwl h LEU 50 CO -0.12 1.19 0.12 0.22 -4.11 0.00 0.00 178.44 175.75 2kwl h TYR 51 N 0.65 0.20 0.00 0.17 3.20 -0.92 0.43 116.97 120.69 2kwl h TYR 51 Ca 0.04 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 2kwl h TYR 51 Cb 1.02 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2kwl h TYR 51 CO 0.06 0.04 -0.63 -0.07 -1.64 0.00 0.00 178.16 175.92 2kwl h LEU 52 N 0.27 0.00 0.04 2.82 4.07 -0.63 -3.06 115.31 118.83 2kwl h LEU 52 Ca 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 2kwl h LEU 52 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2kwl h LEU 52 CO -0.26 0.63 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.64 2kwl h LEU 53 N 0.00 -0.05 -1.74 1.67 4.07 -0.30 -2.88 115.31 116.08 2kwl h LEU 53 Ca -0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 2kwl h LEU 53 Cb 1.24 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2kwl h LEU 53 CO 0.08 0.23 -0.01 1.05 -1.08 0.00 0.00 178.44 178.72 2kwl h GLU 54 N -0.33 0.15 -0.17 1.13 4.11 -1.01 -1.62 114.58 116.84 2kwl h GLU 54 Ca -0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2kwl h GLU 54 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kwl h GLU 54 CO 0.01 0.17 -0.08 1.49 0.07 0.00 0.00 179.01 180.68 2kwl h GLU 55 N 0.15 0.25 0.00 1.06 4.81 -1.40 0.30 114.58 119.76 2kwl h GLU 55 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kwl h GLU 55 Cb 0.12 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kwl h GLU 55 CO 0.00 0.35 -0.01 0.00 -0.73 0.00 0.00 179.01 178.61 2kwl h ALA 56 N 1.68 1.00 -0.01 2.92 0.00 -1.11 -2.99 119.26 120.75 2kwl h ALA 56 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kwl h ALA 56 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kwl h ALA 56 CO 0.01 0.02 -0.16 1.19 0.00 0.00 0.00 179.25 180.32 2kwl n PHE 57 N -3.11 0.00 -3.17 0.00 3.72 -0.59 -5.04 117.46 109.28 2kwl n PHE 57 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 2kwl n PHE 57 Cb 0.40 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.23 -7.10 -3.64 4.37 8.00 0.97 -5.04 116.55 114.34 2kwl n ASP 58 Ca 0.07 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.46 2kwl n ASP 58 Cb 0.31 -4.32 -0.07 0.00 -0.02 0.00 0.00 41.12 37.02 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 -2.70 -0.64 0.05 -2.24 1.01 -1.06 -5.04 116.67 106.06 2kwl s ASP 59 Ca 0.12 1.09 -0.31 0.00 0.71 0.00 0.00 52.55 54.17 2kwl s ASP 59 Cb -0.03 1.21 -0.07 0.00 1.01 0.00 0.00 42.92 45.04 2kwl s ASP 59 CO 0.80 -0.18 1.47 -0.54 0.21 0.00 0.00 175.17 176.93 2kwl s LYS 60 N 1.04 4.27 -0.07 8.23 1.02 -1.26 -4.62 119.74 128.34 2kwl s LYS 60 Ca -0.05 2.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.92 2kwl s LYS 60 Cb -0.04 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 2kwl s LYS 60 CO -0.12 -0.59 0.46 0.82 -0.92 0.00 0.00 175.35 175.00 2kwl h ILE 61 N 4.71 0.33 0.00 2.17 1.08 -1.95 0.16 117.51 124.01 2kwl h ILE 61 Ca -0.40 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 2kwl h ILE 61 Cb 1.19 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2kwl h ILE 61 CO 0.90 0.10 0.00 -0.81 -0.69 0.00 0.00 178.15 177.65 2kwl n PRO 62 N -4.92 0.37 -0.01 2.37 -0.04 -1.26 0.79 135.00 132.31 2kwl n PRO 62 Ca -0.05 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 2kwl n PRO 62 Cb 0.17 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.12 0.11 0.01 0.54 4.07 -1.24 -4.47 120.64 118.54 2kwl n GLU 63 Ca 0.10 0.05 -0.02 0.00 -0.06 0.00 0.00 57.16 57.23 2kwl n GLU 63 Cb 0.08 -0.56 -0.01 0.00 -0.06 0.00 0.00 31.44 30.90 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2kwl h ASN 64 N -0.21 -0.09 -0.09 4.31 2.35 -1.07 -3.32 115.58 117.45 2kwl h ASN 64 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2kwl h ASN 64 Cb 0.21 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2kwl h ASN 64 CO 0.00 0.29 0.12 -0.33 -1.65 0.00 0.00 177.43 175.86 2kwl h GLU 65 N -0.81 0.00 0.00 0.81 4.39 -0.99 0.12 114.58 118.10 2kwl h GLU 65 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kwl h GLU 65 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kwl h GLU 65 CO 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.87 2kwl n ALA 66 N -2.26 1.50 0.34 3.43 0.00 0.24 -2.17 120.51 121.58 2kwl n ALA 66 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2kwl n ALA 66 Cb 0.22 -1.19 0.58 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.01 0.00 -0.00 -0.87 -3.29 115.58 111.41 2kwl h ASN 67 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.13 2kwl h ASN 67 Cb 0.19 0.00 -0.16 0.00 -0.00 0.00 0.00 38.32 38.36 2kwl h ASN 67 CO 0.00 0.00 -0.29 1.21 -0.00 0.00 0.00 177.43 178.35 2kwl n GLU 68 N -2.44 1.34 -4.06 4.14 4.07 -0.92 -5.13 120.64 117.63 2kwl n GLU 68 Ca 0.01 -1.26 -0.32 0.00 -0.06 0.00 0.00 57.16 55.53 2kwl n GLU 68 Cb 0.21 0.38 -0.06 0.00 -0.06 0.00 0.00 31.44 31.91 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 0.03 3.31 0.27 4.31 5.36 -0.92 -4.90 117.98 125.45 2kwl s PHE 69 Ca 0.09 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2kwl s PHE 69 Cb 0.43 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 2kwl s PHE 69 CO -0.12 0.56 0.00 -1.91 -1.46 0.00 0.00 175.22 172.28 2kwl n GLU 70 N 0.95 0.00 -3.76 10.12 2.13 -1.26 -4.98 120.64 123.85 2kwl n GLU 70 Ca -0.11 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.54 2kwl n GLU 70 Cb 0.52 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.17 2kwl n GLU 70 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kwl n THR 71 N -3.08 0.00 -0.29 6.31 -2.24 -1.26 -5.02 114.28 108.71 2kwl n THR 71 Ca 0.00 -1.87 0.10 0.00 -2.27 0.00 0.00 64.05 60.01 2kwl n THR 71 Cb 0.00 0.87 0.26 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.75 0.56 -0.98 2.28 2.07 -1.90 0.10 116.25 120.13 2kwl h VAL 72 Ca -0.20 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.40 2kwl h VAL 72 Cb 0.93 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 2kwl h VAL 72 CO 0.29 0.08 0.63 1.23 0.02 0.00 0.00 177.57 179.83 2kwl h GLY 73 N 0.44 1.20 1.69 2.17 0.00 -1.93 0.31 103.07 106.94 2kwl h GLY 73 Ca 0.50 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 2kwl h GLY 73 CO -0.48 -0.07 -0.39 -0.55 0.00 0.00 0.00 176.54 175.06 2kwl h ASP 74 N 0.48 0.36 0.01 0.19 5.19 -1.13 -2.90 116.42 118.62 2kwl h ASP 74 Ca 0.54 -0.15 -0.21 0.00 -0.62 0.00 0.00 57.03 56.60 2kwl h ASP 74 Cb 1.26 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 40.68 2kwl h ASP 74 CO -0.27 0.72 -0.81 0.58 -3.12 0.00 0.00 179.24 176.35 2kwl h VAL 75 N 0.29 1.36 -0.30 -1.35 2.07 -0.41 -2.25 116.25 115.66 2kwl h VAL 75 Ca 0.03 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.44 2kwl h VAL 75 Cb 0.82 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 33.06 2kwl h VAL 75 CO 0.07 0.65 -0.07 0.58 0.02 0.00 0.00 177.57 178.82 2kwl h VAL 76 N 0.10 0.71 0.00 2.57 2.07 -0.88 -0.05 116.25 120.77 2kwl h VAL 76 Ca -0.10 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2kwl h VAL 76 Cb 1.50 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2kwl h VAL 76 CO 0.16 0.00 -0.13 -0.55 0.02 0.00 0.00 177.57 177.07 2kwl h ASN 77 N 0.01 0.00 0.42 0.57 7.08 -1.60 -2.58 115.58 119.47 2kwl h ASN 77 Ca 0.15 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.35 2kwl h ASN 77 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 2kwl h ASN 77 CO -0.31 0.13 -0.20 -0.26 -2.08 0.00 0.00 177.43 174.71 2kwl h PHE 78 N 0.00 -0.52 0.00 4.14 -1.00 -0.50 -3.04 116.94 116.02 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 0.81 0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.54 2kwl h PHE 78 CO 0.00 -0.32 -0.04 0.82 -1.61 0.00 0.00 178.31 177.16 2kwl h ILE 79 N -0.96 0.22 0.29 -0.55 2.04 -1.17 -0.18 117.51 117.20 2kwl h ILE 79 Ca -0.06 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kwl h ILE 79 Cb 0.43 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2kwl h ILE 79 CO 0.09 0.04 -0.14 0.11 0.00 0.00 0.00 178.15 178.25 2kwl h LYS 80 N 0.00 -0.38 0.06 2.37 1.57 -1.47 -0.59 116.57 118.12 2kwl h LYS 80 Ca -0.00 0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 2kwl h LYS 80 Cb 0.24 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2kwl h LYS 80 CO 0.01 -0.17 -1.13 1.57 -0.57 0.00 0.00 179.45 179.15 2kwl h LYS 81 N -0.52 0.12 -0.48 3.15 5.09 -1.39 0.63 116.57 123.17 2kwl h LYS 81 Ca -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.49 2kwl h LYS 81 Cb 0.39 0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.77 2kwl h LYS 81 CO 0.07 1.08 0.27 0.00 -2.09 0.00 0.00 179.45 178.77 2kwl h ARG 82 N 0.03 0.67 0.06 0.07 3.08 -1.02 -3.27 114.38 114.00 2kwl h ARG 82 Ca -0.07 -0.08 -0.25 0.00 0.07 0.00 0.00 59.98 59.65 2kwl h ARG 82 Cb 1.87 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.76 2kwl h ARG 82 CO 0.16 0.52 -1.34 0.87 -1.07 0.00 0.00 179.97 179.11 2kwl h LYS 83 N 0.63 0.12 -0.03 0.04 1.57 -1.19 -3.50 116.57 114.21 2kwl h LYS 83 Ca 0.17 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kwl h LYS 83 Cb 0.04 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2kwl h LYS 83 CO -0.03 1.10 0.00 0.41 -0.57 0.00 0.00 179.45 180.36