#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7r s GLU 3 N 0.00 4.57 -0.27 0.00 2.12 -1.26 -5.02 118.70 118.84 3k7r s GLU 3 Ca 0.00 1.34 -0.14 0.00 0.36 0.00 0.00 54.97 56.53 3k7r s GLU 3 Cb 0.00 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3k7r s GLU 3 CO 0.00 0.03 0.33 0.42 -0.54 0.00 0.00 175.26 175.50 3k7r s ILE 4 N 0.74 5.20 0.12 -3.70 1.01 -1.26 -4.39 121.20 118.93 3k7r s ILE 4 Ca 0.49 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.64 3k7r s ILE 4 Cb -0.21 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3k7r s ILE 4 CO 0.27 0.18 0.24 -0.54 0.00 0.00 0.00 174.94 175.09 3k7r s LYS 5 N 1.99 3.37 -0.24 2.79 1.02 0.16 -4.87 119.74 123.96 3k7r s LYS 5 Ca 0.13 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 3k7r s LYS 5 Cb -0.16 -2.95 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3k7r s LYS 5 CO 0.10 0.54 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.41 3k7r s HIS 6 N -1.66 3.04 0.05 3.18 5.65 -1.26 -0.96 115.29 123.32 3k7r s HIS 6 Ca 0.34 -1.61 0.05 0.00 0.25 0.00 0.00 55.06 54.09 3k7r s HIS 6 Cb -0.12 -2.03 -0.04 0.00 -1.18 0.00 0.00 32.58 29.22 3k7r s HIS 6 CO 0.28 -0.75 -0.10 0.71 -0.65 0.00 0.00 174.74 174.23 3k7r s TYR 7 N 1.31 2.78 -0.09 3.88 2.02 0.11 -0.77 117.35 126.58 3k7r s TYR 7 Ca 0.00 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3k7r s TYR 7 Cb -0.16 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3k7r s TYR 7 CO -0.06 0.37 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.96 3k7r s GLN 8 N -1.75 2.56 -0.09 -0.62 0.74 -0.61 -0.43 119.66 119.45 3k7r s GLN 8 Ca 0.19 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.92 3k7r s GLN 8 Cb -0.11 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.01 3k7r s GLN 8 CO 0.10 0.12 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.69 3k7r s PHE 9 N 0.47 2.61 -0.53 1.67 0.08 0.94 -0.62 117.98 122.60 3k7r s PHE 9 Ca -0.17 -0.81 -0.24 0.00 0.12 0.00 0.00 56.93 55.83 3k7r s PHE 9 Cb -0.17 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3k7r s PHE 9 CO 0.07 -0.28 0.94 1.21 -0.10 0.00 0.00 175.22 177.06 3k7r s ASN 10 N 0.15 6.37 -0.09 1.36 2.47 0.88 -0.54 114.94 125.54 3k7r s ASN 10 Ca -0.11 -0.27 0.04 0.00 0.42 0.00 0.00 52.86 52.93 3k7r s ASN 10 Cb -0.16 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 3k7r s ASN 10 CO 0.06 -1.19 -0.21 -0.69 -3.72 0.00 0.00 177.10 171.35 3k7r s VAL 11 N 3.91 1.84 -0.83 -5.21 1.01 -0.56 0.19 120.40 120.75 3k7r s VAL 11 Ca 0.31 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 3k7r s VAL 11 Cb -0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3k7r s VAL 11 CO 0.20 0.51 1.74 -0.69 0.00 0.00 0.00 175.10 176.86 3k7r s VAL 12 N 0.38 3.56 -0.18 2.92 1.01 0.89 -4.55 120.40 124.42 3k7r s VAL 12 Ca -0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3k7r s VAL 12 Cb -0.17 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3k7r s VAL 12 CO 0.07 -1.26 -0.13 -0.04 0.00 0.00 0.00 175.10 173.75 3k7r s MET 13 N 6.43 3.22 -0.06 2.72 -1.94 -1.26 -4.35 119.30 124.06 3k7r s MET 13 Ca 0.60 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.92 3k7r s MET 13 Cb -0.07 -2.73 -0.09 0.00 2.01 0.00 0.00 34.83 33.94 3k7r s MET 13 CO 0.05 -0.09 0.05 2.41 -0.01 0.00 0.00 175.02 177.43 3k7r n THR 14 N 4.39 0.41 -4.31 2.05 -1.04 -1.26 -4.86 114.28 109.68 3k7r n THR 14 Ca -0.19 -0.29 -0.19 0.00 -2.04 0.00 0.00 64.05 61.35 3k7r n THR 14 Cb 0.51 -0.62 -0.09 0.00 -1.82 0.00 0.00 70.33 68.32 3k7r n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k7r h SER 16 N 2.20 0.00 -0.16 0.00 4.64 -1.99 -0.64 113.55 117.59 3k7r h SER 16 Ca -0.30 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.86 3k7r h SER 16 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3k7r h SER 16 CO 0.45 0.03 -0.49 1.23 -0.87 0.00 0.00 176.83 177.17 3k7r h GLY 17 N 1.47 0.80 1.00 -0.77 0.00 -1.97 -1.86 103.07 101.74 3k7r h GLY 17 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3k7r h GLY 17 CO 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 176.54 177.15 3k7r h SER 19 N -0.53 0.34 -0.66 0.00 4.64 -1.62 -2.59 113.55 113.14 3k7r h SER 19 Ca -0.05 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3k7r h SER 19 Cb 0.41 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3k7r h SER 19 CO 0.09 0.63 0.43 1.23 -0.87 0.00 0.00 176.83 178.34 3k7r h GLY 20 N 1.06 0.92 1.84 -0.77 0.00 -1.01 -0.03 103.07 105.09 3k7r h GLY 20 Ca 0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3k7r h GLY 20 CO 0.05 0.34 -0.44 0.00 0.00 0.00 0.00 176.54 176.49 3k7r h ALA 21 N 1.24 1.12 -0.06 3.60 0.00 -0.47 0.22 119.26 124.91 3k7r h ALA 21 Ca 0.24 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3k7r h ALA 21 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3k7r h ALA 21 CO -0.05 0.60 -0.17 0.28 0.00 0.00 0.00 179.25 179.90 3k7r h VAL 22 N 0.14 1.44 -0.36 0.00 2.07 -1.15 -2.61 116.25 115.79 3k7r h VAL 22 Ca 0.01 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.04 3k7r h VAL 22 Cb 0.84 2.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 3k7r h VAL 22 CO 0.07 0.44 -0.31 -1.13 0.02 0.00 0.00 177.57 176.65 3k7r h ASN 23 N -0.31 -1.03 -0.79 0.57 -1.24 -0.81 -2.77 115.58 109.19 3k7r h ASN 23 Ca -0.01 0.18 0.12 0.00 0.71 0.00 0.00 56.30 57.31 3k7r h ASN 23 Cb 0.80 0.48 -0.09 0.00 0.73 0.00 0.00 38.32 40.24 3k7r h ASN 23 CO 0.04 -0.32 0.40 0.50 -1.29 0.00 0.00 177.43 176.76 3k7r h LYS 24 N -0.26 0.59 0.00 6.67 3.64 -0.45 -0.96 116.57 125.80 3k7r h LYS 24 Ca 0.16 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 3k7r h LYS 24 Cb 0.53 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3k7r h LYS 24 CO -0.50 0.39 -0.82 -0.39 -2.27 0.00 0.00 179.45 175.86 3k7r h VAL 25 N 0.61 1.58 0.02 2.00 -1.51 -1.29 -2.99 116.25 114.68 3k7r h VAL 25 Ca 0.42 -2.79 -0.25 0.00 -1.23 0.00 0.00 66.70 62.85 3k7r h VAL 25 Cb 0.54 2.50 0.01 0.00 -2.13 0.00 0.00 31.29 32.21 3k7r h VAL 25 CO -0.33 0.80 -1.04 -0.07 -1.23 0.00 0.00 177.57 175.70 3k7r h LEU 26 N 0.00 0.72 -1.55 4.19 3.38 -1.32 -3.22 115.31 117.51 3k7r h LEU 26 Ca -0.01 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 3k7r h LEU 26 Cb 1.44 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3k7r h LEU 26 CO 0.11 1.40 -0.15 0.71 0.09 0.00 0.00 178.44 180.60 3k7r h THR 27 N 0.29 0.48 0.00 0.22 1.35 -1.14 -0.10 112.91 114.01 3k7r h THR 27 Ca -0.12 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3k7r h THR 27 Cb 1.69 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3k7r h THR 27 CO 0.19 0.15 0.00 0.29 -0.25 0.00 0.00 175.52 175.90 3k7r n LYS 28 N -3.45 0.02 -0.07 4.72 5.02 -1.13 -2.75 118.16 120.51 3k7r n LYS 28 Ca -0.01 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.73 3k7r n LYS 28 Cb 0.32 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.97 3k7r n LYS 28 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k7r n LEU 29 N -1.46 3.01 -4.77 -0.35 4.77 -0.05 -4.96 117.00 113.19 3k7r n LEU 29 Ca 0.02 -1.22 -0.37 0.00 -0.03 0.00 0.00 56.01 54.42 3k7r n LEU 29 Cb 0.09 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3k7r n LEU 29 CO 0.07 0.58 0.84 -1.61 -1.33 0.00 0.00 177.39 175.94 3k7r s GLU 30 N -1.62 3.58 0.00 3.23 2.02 -1.11 -1.00 118.70 123.81 3k7r s GLU 30 Ca 0.29 1.80 0.31 0.00 0.02 0.00 0.00 54.97 57.40 3k7r s GLU 30 Cb 0.19 -2.30 1.73 0.00 0.10 0.00 0.00 34.13 33.85 3k7r s GLU 30 CO 0.28 -0.70 2.13 -0.35 0.02 0.00 0.00 175.26 176.63 3k7r n PRO 31 N -0.73 1.13 0.18 0.39 -0.04 -1.26 -4.84 135.00 129.83 3k7r n PRO 31 Ca 0.09 -0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.38 3k7r n PRO 31 Cb 0.48 -1.49 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 3k7r n PRO 31 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3k7r h ASP 32 N 0.48 0.00 -3.49 3.54 3.32 -1.69 -3.35 116.42 115.23 3k7r h ASP 32 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3k7r h ASP 32 Cb 0.10 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.54 3k7r h ASP 32 CO 0.00 0.41 -0.07 -0.69 -1.72 0.00 0.00 179.24 177.17 3k7r s VAL 33 N -3.90 5.12 -0.03 -1.35 1.01 -0.17 -2.29 120.40 118.79 3k7r s VAL 33 Ca -0.02 0.89 0.22 0.00 0.00 0.00 0.00 61.98 63.07 3k7r s VAL 33 Cb 0.13 -3.82 -0.34 0.00 0.00 0.00 0.00 36.38 32.36 3k7r s VAL 33 CO 0.71 0.18 0.48 -1.54 0.00 0.00 0.00 175.10 174.93 3k7r n SER 34 N 4.84 0.00 -3.64 3.32 3.41 -0.19 -4.16 113.62 117.22 3k7r n SER 34 Ca -0.05 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 3k7r n SER 34 Cb 0.50 1.99 -0.07 0.00 -0.26 0.00 0.00 64.21 66.38 3k7r n SER 34 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3k7r s LYS 35 N -3.52 0.73 -0.15 4.33 2.20 -1.20 -5.01 119.74 117.12 3k7r s LYS 35 Ca -0.08 1.12 0.01 0.00 -0.36 0.00 0.00 55.97 56.66 3k7r s LYS 35 Cb 0.14 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 3k7r s LYS 35 CO 0.91 -0.13 -0.17 0.42 -0.36 0.00 0.00 175.35 176.02 3k7r s ILE 36 N 1.19 1.77 -0.26 5.43 1.01 -1.26 -1.36 121.20 127.73 3k7r s ILE 36 Ca -0.06 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3k7r s ILE 36 Cb -0.05 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.86 3k7r s ILE 36 CO -0.13 0.49 -0.11 -1.81 0.00 0.00 0.00 174.94 173.39 3k7r s ASP 37 N 1.20 4.43 -0.18 3.58 1.01 -0.25 -5.00 116.67 121.47 3k7r s ASP 37 Ca 0.00 -1.40 -0.04 0.00 0.71 0.00 0.00 52.55 51.83 3k7r s ASP 37 Cb -0.14 -1.54 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 3k7r s ASP 37 CO -0.08 -0.19 -0.04 -0.63 0.21 0.00 0.00 175.17 174.44 3k7r s ILE 38 N 1.11 3.68 -0.33 0.77 1.01 -1.26 -0.36 121.20 125.82 3k7r s ILE 38 Ca -0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3k7r s ILE 38 Cb -0.20 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.70 3k7r s ILE 38 CO -0.05 0.46 0.06 -0.55 0.00 0.00 0.00 174.94 174.86 3k7r s SER 39 N 0.85 4.98 0.21 3.58 0.15 -0.15 -4.95 113.70 118.36 3k7r s SER 39 Ca -0.01 -1.57 -0.10 0.00 0.70 0.00 0.00 55.95 54.98 3k7r s SER 39 Cb -0.15 -1.74 0.16 0.00 -1.71 0.00 0.00 66.02 62.59 3k7r s SER 39 CO 0.02 -0.35 1.84 0.25 1.20 0.00 0.00 173.24 176.20 3k7r h LEU 40 N 7.98 0.94 -0.42 3.45 5.85 -1.94 0.11 115.31 131.28 3k7r h LEU 40 Ca -0.17 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 3k7r h LEU 40 Cb 1.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3k7r h LEU 40 CO 0.58 0.75 -0.06 -0.33 -0.34 0.00 0.00 178.44 179.03 3k7r h GLU 41 N 1.06 0.77 0.00 1.25 3.07 -1.92 -2.86 114.58 115.96 3k7r h GLU 41 Ca 0.28 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k7r h GLU 41 Cb -0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3k7r h GLU 41 CO -0.05 0.88 -0.18 1.63 -1.40 0.00 0.00 179.01 179.89 3k7r n LYS 42 N -4.36 0.14 -3.35 2.33 5.02 -1.18 -4.96 118.16 111.80 3k7r n LYS 42 Ca -0.01 0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 3k7r n LYS 42 Cb 0.34 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 3k7r n LYS 42 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k7r n GLN 43 N -1.87 -6.36 -4.72 1.97 6.02 0.28 -4.96 117.38 107.74 3k7r n GLN 43 Ca 0.06 0.74 -0.24 0.00 -0.01 0.00 0.00 57.00 57.55 3k7r n GLN 43 Cb 0.39 -5.47 -0.15 0.00 1.02 0.00 0.00 30.24 26.02 3k7r n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k7r s LEU 44 N -6.15 2.05 -0.21 1.08 1.43 -0.67 -1.50 118.68 114.71 3k7r s LEU 44 Ca 0.23 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3k7r s LEU 44 Cb -0.10 -0.82 0.06 0.00 0.03 0.00 0.00 46.19 45.35 3k7r s LEU 44 CO 0.64 0.18 -0.03 -0.69 0.23 0.00 0.00 176.35 176.68 3k7r s VAL 45 N -0.45 1.16 -0.19 -1.59 1.01 0.30 -0.98 120.40 119.67 3k7r s VAL 45 Ca 0.06 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3k7r s VAL 45 Cb -0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3k7r s VAL 45 CO -0.00 -0.08 0.17 -1.81 0.00 0.00 0.00 175.10 173.38 3k7r s ASP 46 N 1.57 6.27 -0.05 3.32 1.01 0.52 -0.04 116.67 129.27 3k7r s ASP 46 Ca -0.03 0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.56 3k7r s ASP 46 Cb -0.18 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.65 3k7r s ASP 46 CO -0.07 0.16 -0.13 -0.69 0.21 0.00 0.00 175.17 174.65 3k7r s VAL 47 N 0.38 1.13 -0.17 -1.27 1.01 0.42 -1.08 120.40 120.82 3k7r s VAL 47 Ca 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3k7r s VAL 47 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3k7r s VAL 47 CO -0.00 0.35 -0.10 -0.31 0.00 0.00 0.00 175.10 175.04 3k7r s TYR 48 N 0.45 2.88 0.14 5.22 1.51 -0.46 0.04 117.35 127.13 3k7r s TYR 48 Ca -0.10 -0.83 -0.25 0.00 -1.01 0.00 0.00 57.07 54.88 3k7r s TYR 48 Cb -0.14 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 39.82 3k7r s TYR 48 CO 0.03 -0.39 0.81 -0.08 -1.11 0.00 0.00 175.55 174.82 3k7r s THR 49 N 0.88 0.00 -1.88 -0.71 -1.32 -0.14 -1.02 115.64 111.46 3k7r s THR 49 Ca -0.03 -0.42 0.22 0.00 -1.21 0.00 0.00 61.69 60.26 3k7r s THR 49 Cb -0.15 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.28 3k7r s THR 49 CO 0.00 0.00 1.08 0.35 -2.21 0.00 0.00 174.62 173.84 3k7r n THR 50 N -0.39 0.00 -2.65 5.08 -2.24 -0.97 0.40 114.28 113.51 3k7r n THR 50 Ca -0.09 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 3k7r n THR 50 Cb 0.62 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 3k7r n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k7r s LEU 51 N -2.56 3.87 0.76 3.22 1.43 -1.26 -4.95 118.68 119.19 3k7r s LEU 51 Ca 0.17 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 3k7r s LEU 51 Cb 0.18 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.90 3k7r s LEU 51 CO 0.62 -0.60 1.10 -2.16 0.23 0.00 0.00 176.35 175.54 3k7r s PRO 52 N -3.27 2.27 0.11 1.29 0.04 -1.26 -4.86 135.00 129.32 3k7r s PRO 52 Ca 0.64 1.26 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 3k7r s PRO 52 Cb -0.13 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3k7r s PRO 52 CO 0.18 -1.64 1.64 -0.92 0.04 0.00 0.00 177.00 176.30 3k7r h TYR 53 N -0.93 -0.68 -0.60 0.56 3.20 -2.00 -1.95 116.97 114.58 3k7r h TYR 53 Ca -0.44 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.52 3k7r h TYR 53 Cb 1.24 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 3k7r h TYR 53 CO 0.56 -0.36 0.40 -0.44 -1.64 0.00 0.00 178.16 176.69 3k7r h ASP 54 N -0.47 0.43 0.11 -2.11 3.45 -1.98 0.11 116.42 115.95 3k7r h ASP 54 Ca 0.02 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 3k7r h ASP 54 Cb 0.49 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3k7r h ASP 54 CO -0.13 0.27 -0.05 0.15 -1.57 0.00 0.00 179.24 177.91 3k7r h PHE 55 N 0.48 -0.13 -0.30 4.55 3.57 -1.87 -0.98 116.94 122.26 3k7r h PHE 55 Ca 0.27 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.82 3k7r h PHE 55 Cb 0.43 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3k7r h PHE 55 CO -0.00 0.19 0.03 0.82 -2.23 0.00 0.00 178.31 177.12 3k7r h ILE 56 N -0.47 0.81 -0.48 1.41 1.08 -0.81 -2.22 117.51 116.83 3k7r h ILE 56 Ca -0.01 -0.04 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 3k7r h ILE 56 Cb 0.39 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 34.73 3k7r h ILE 56 CO 0.02 0.02 -0.04 0.25 -0.69 0.00 0.00 178.15 177.72 3k7r h LEU 57 N 0.12 -0.28 -1.22 1.44 5.85 -0.78 -2.14 115.31 118.31 3k7r h LEU 57 Ca 0.14 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 3k7r h LEU 57 Cb 0.18 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3k7r h LEU 57 CO -0.22 -0.10 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.31 3k7r h GLU 58 N 0.07 0.36 -0.74 1.25 4.39 -0.98 -0.57 114.58 118.37 3k7r h GLU 58 Ca 0.24 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 3k7r h GLU 58 Cb 0.36 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 3k7r h GLU 58 CO -0.43 0.51 0.24 0.87 -1.16 0.00 0.00 179.01 179.04 3k7r h LYS 59 N 0.34 1.14 -0.22 2.33 1.79 -0.79 -2.24 116.57 118.93 3k7r h LYS 59 Ca 0.06 -0.24 -0.18 0.00 -2.18 0.00 0.00 60.65 58.12 3k7r h LYS 59 Cb 0.46 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3k7r h LYS 59 CO 0.03 0.96 -0.55 0.82 -1.08 0.00 0.00 179.45 179.63 3k7r h ILE 60 N 1.10 1.29 -0.16 1.86 2.04 -1.06 -3.01 117.51 119.57 3k7r h ILE 60 Ca 0.24 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.39 3k7r h ILE 60 Cb 0.29 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3k7r h ILE 60 CO -0.01 0.56 0.12 0.11 0.00 0.00 0.00 178.15 178.93 3k7r h LYS 61 N 0.51 0.00 0.00 2.37 1.57 -1.01 -2.09 116.57 117.91 3k7r h LYS 61 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k7r h LYS 61 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3k7r h LYS 61 CO 0.12 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.87 3k7r h LYS 62 N 0.00 0.00 -0.08 3.15 1.79 -1.26 -1.55 116.57 118.61 3k7r h LYS 62 Ca 0.08 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 3k7r h LYS 62 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3k7r h LYS 62 CO -0.00 0.00 -0.41 1.79 -1.08 0.00 0.00 179.45 179.75 3k7r h THR 63 N 0.00 1.31 0.00 -0.16 1.35 -1.49 -3.47 112.91 110.45 3k7r h THR 63 Ca 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 3k7r h THR 63 Cb 0.37 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3k7r h THR 63 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3k7r n GLY 64 N -0.22 0.49 3.77 5.82 0.00 -0.58 -5.07 105.19 109.40 3k7r n GLY 64 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3k7r n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k7r s LYS 65 N -0.98 4.52 0.04 1.61 -0.14 -1.26 -4.99 119.74 118.53 3k7r s LYS 65 Ca 0.00 1.61 -0.30 0.00 -1.36 0.00 0.00 55.97 55.91 3k7r s LYS 65 Cb 0.00 -2.96 -0.06 0.00 -1.68 0.00 0.00 37.83 33.13 3k7r s LYS 65 CO 0.00 0.16 1.34 -2.00 -0.76 0.00 0.00 175.35 174.09 3k7r s GLU 66 N -1.80 4.33 -0.26 1.68 2.12 -1.26 -4.66 118.70 118.85 3k7r s GLU 66 Ca 0.49 1.94 -0.18 0.00 0.36 0.00 0.00 54.97 57.57 3k7r s GLU 66 Cb -0.26 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 3k7r s GLU 66 CO 0.33 -0.47 0.51 0.08 -0.54 0.00 0.00 175.26 175.17 3k7r s VAL 67 N 1.79 5.08 0.04 3.70 1.01 -1.26 -0.08 120.40 130.68 3k7r s VAL 67 Ca 0.62 0.87 0.01 0.00 0.00 0.00 0.00 61.98 63.48 3k7r s VAL 67 Cb -0.32 -3.82 -0.26 0.00 0.00 0.00 0.00 36.38 31.98 3k7r s VAL 67 CO 0.28 0.10 1.00 0.03 0.00 0.00 0.00 175.10 176.51 3k7r h ARG 68 N 7.98 0.16 -1.25 2.72 3.08 -0.63 -3.49 114.38 122.95 3k7r h ARG 68 Ca -0.29 -0.27 0.34 0.00 0.07 0.00 0.00 59.98 59.82 3k7r h ARG 68 Cb 1.14 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 31.15 3k7r h ARG 68 CO 0.71 1.03 0.90 -1.54 -1.07 0.00 0.00 179.97 180.01 3k7r s SER 69 N -6.84 -0.04 0.21 7.04 1.04 -1.22 -5.02 113.70 108.88 3k7r s SER 69 Ca -0.05 -0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 3k7r s SER 69 Cb 0.08 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.32 3k7r s SER 69 CO 0.85 -0.15 0.59 -0.83 0.98 0.00 0.00 173.24 174.67 3k7r s GLY 70 N -2.74 -0.16 0.22 7.32 0.00 -1.26 -0.09 107.32 110.61 3k7r s GLY 70 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 3k7r s GLY 70 CO -0.05 -0.15 0.33 -1.59 0.00 0.00 0.00 173.10 171.64 3k7r s LYS 71 N -3.87 1.36 -0.10 2.90 -2.85 0.21 -4.99 119.74 112.40 3k7r s LYS 71 Ca 0.09 -1.37 -0.01 0.00 -1.00 0.00 0.00 55.97 53.68 3k7r s LYS 71 Cb -0.02 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 3k7r s LYS 71 CO -0.02 -0.52 -0.07 -1.14 0.10 0.00 0.00 175.35 173.71 3k7r s GLN 72 N -4.06 3.13 0.00 1.78 0.74 -1.26 -1.58 119.66 118.42 3k7r s GLN 72 Ca 0.27 -0.56 0.12 0.00 0.05 0.00 0.00 55.36 55.25 3k7r s GLN 72 Cb 0.03 -2.70 0.10 0.00 1.10 0.00 0.00 33.01 31.53 3k7r s GLN 72 CO 0.08 0.47 0.89 1.28 -0.55 0.00 0.00 175.29 177.46