#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7r n GLU 3 N 0.00 2.64 -3.87 0.00 2.13 -1.26 -4.87 120.64 115.41 3k7r n GLU 3 Ca 0.00 0.94 -0.35 0.00 0.66 0.00 0.00 57.16 58.41 3k7r n GLU 3 Cb 0.00 -2.72 -0.10 0.00 0.27 0.00 0.00 31.44 28.90 3k7r n GLU 3 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3k7r s ILE 4 N 0.06 4.96 0.32 6.31 1.01 -1.26 -4.21 121.20 128.39 3k7r s ILE 4 Ca 0.65 0.03 0.09 0.00 0.00 0.00 0.00 60.65 61.43 3k7r s ILE 4 Cb -0.51 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3k7r s ILE 4 CO 0.48 0.42 0.03 -0.54 0.00 0.00 0.00 174.94 175.33 3k7r s LYS 5 N 0.62 2.18 -0.23 2.79 3.01 0.17 -4.88 119.74 123.40 3k7r s LYS 5 Ca 0.05 -1.62 0.02 0.00 -1.01 0.00 0.00 55.97 53.41 3k7r s LYS 5 Cb -0.13 -2.04 0.04 0.00 -1.01 0.00 0.00 37.83 34.70 3k7r s LYS 5 CO 0.01 0.20 -0.14 -1.58 0.51 0.00 0.00 175.35 174.35 3k7r s HIS 6 N -2.45 3.09 0.05 3.18 5.65 -1.26 -1.34 115.29 122.21 3k7r s HIS 6 Ca 0.34 -2.05 0.05 0.00 0.25 0.00 0.00 55.06 53.66 3k7r s HIS 6 Cb -0.02 -1.94 -0.04 0.00 -1.18 0.00 0.00 32.58 29.40 3k7r s HIS 6 CO 0.20 -0.85 -0.08 0.71 -0.65 0.00 0.00 174.74 174.08 3k7r s TYR 7 N 1.18 2.83 -0.06 3.88 2.02 -0.56 -0.82 117.35 125.81 3k7r s TYR 7 Ca -0.04 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3k7r s TYR 7 Cb -0.17 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3k7r s TYR 7 CO -0.08 0.40 -0.05 -1.14 -1.57 0.00 0.00 175.55 173.11 3k7r s GLN 8 N -1.80 0.94 -0.08 -0.62 0.74 -0.41 -0.96 119.66 117.47 3k7r s GLN 8 Ca 0.20 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.51 3k7r s GLN 8 Cb -0.11 -1.00 -0.02 0.00 1.10 0.00 0.00 33.01 32.97 3k7r s GLN 8 CO 0.11 -0.14 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.54 3k7r s PHE 9 N 1.20 2.81 -0.46 1.67 0.08 -0.02 -0.63 117.98 122.63 3k7r s PHE 9 Ca -0.06 -0.25 -0.22 0.00 0.12 0.00 0.00 56.93 56.52 3k7r s PHE 9 Cb -0.14 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3k7r s PHE 9 CO -0.02 0.10 0.71 1.21 -0.10 0.00 0.00 175.22 177.13 3k7r s ASN 10 N -0.39 6.34 -0.11 1.36 2.47 -0.04 -1.58 114.94 122.99 3k7r s ASN 10 Ca 0.05 -0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.04 3k7r s ASN 10 Cb -0.12 -2.35 -0.00 0.00 -1.45 0.00 0.00 41.25 37.33 3k7r s ASN 10 CO 0.02 -0.87 -0.22 -0.69 -3.72 0.00 0.00 177.10 171.62 3k7r s VAL 11 N 3.05 2.22 -0.57 -5.21 1.01 -0.72 0.61 120.40 120.80 3k7r s VAL 11 Ca 0.25 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 3k7r s VAL 11 Cb -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3k7r s VAL 11 CO 0.20 0.55 1.86 -0.69 0.00 0.00 0.00 175.10 177.02 3k7r s VAL 12 N 0.42 3.37 -0.11 2.92 1.01 -0.14 -4.58 120.40 123.28 3k7r s VAL 12 Ca -0.16 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3k7r s VAL 12 Cb -0.17 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3k7r s VAL 12 CO 0.07 -0.82 -0.16 -0.04 0.00 0.00 0.00 175.10 174.16 3k7r s MET 13 N 6.86 2.27 -0.16 2.72 -1.94 -1.26 -4.30 119.30 123.48 3k7r s MET 13 Ca 0.70 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 54.13 3k7r s MET 13 Cb -0.14 -1.91 -0.12 0.00 2.01 0.00 0.00 34.83 34.66 3k7r s MET 13 CO 0.23 -0.05 -0.12 2.41 -0.01 0.00 0.00 175.02 177.48 3k7r n THR 14 N 4.17 0.97 -4.58 2.05 -1.04 -1.26 -4.93 114.28 109.67 3k7r n THR 14 Ca -0.19 -0.41 -0.28 0.00 -2.04 0.00 0.00 64.05 61.13 3k7r n THR 14 Cb 0.51 -1.03 -0.08 0.00 -1.82 0.00 0.00 70.33 67.92 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 1.66 0.00 -0.09 0.00 4.64 -2.00 -1.97 113.55 115.80 3k7r h SER 16 Ca -0.37 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3k7r h SER 16 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3k7r h SER 16 CO 0.60 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.79 3k7r h GLY 17 N 2.13 0.08 0.71 -0.77 0.00 -1.98 -0.75 103.07 102.48 3k7r h GLY 17 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.39 3k7r h GLY 17 CO 0.00 -0.02 0.27 0.00 0.00 0.00 0.00 176.54 176.79 3k7r h SER 19 N 0.53 0.15 -0.61 0.00 4.64 -1.54 -2.98 113.55 113.73 3k7r h SER 19 Ca 0.24 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3k7r h SER 19 Cb 0.15 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3k7r h SER 19 CO -0.16 0.93 0.26 1.23 -0.87 0.00 0.00 176.83 178.21 3k7r h GLY 20 N 2.10 1.01 1.00 -0.77 0.00 -0.83 -1.52 103.07 104.06 3k7r h GLY 20 Ca -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3k7r h GLY 20 CO 0.12 0.49 0.19 0.00 0.00 0.00 0.00 176.54 177.35 3k7r h ALA 21 N 1.35 0.78 -0.39 3.60 0.00 -0.90 0.20 119.26 123.91 3k7r h ALA 21 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3k7r h ALA 21 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3k7r h ALA 21 CO -0.02 0.44 0.07 0.28 0.00 0.00 0.00 179.25 180.02 3k7r h VAL 22 N 0.85 1.24 -0.10 0.00 2.07 -1.44 -2.99 116.25 115.88 3k7r h VAL 22 Ca 0.19 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3k7r h VAL 22 Cb 0.28 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3k7r h VAL 22 CO -0.01 0.29 -0.07 -1.13 0.02 0.00 0.00 177.57 176.68 3k7r h ASN 23 N 0.49 -0.22 -1.00 0.57 -1.24 -0.94 -2.29 115.58 110.95 3k7r h ASN 23 Ca 0.12 0.05 0.14 0.00 0.71 0.00 0.00 56.30 57.32 3k7r h ASN 23 Cb 0.36 0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.44 3k7r h ASN 23 CO 0.01 -0.09 0.63 0.11 -1.29 0.00 0.00 177.43 176.79 3k7r h LYS 24 N -0.07 0.90 -0.06 6.67 1.57 -0.60 -0.07 116.57 124.91 3k7r h LYS 24 Ca 0.06 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3k7r h LYS 24 Cb 0.16 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3k7r h LYS 24 CO -0.15 0.59 -0.54 -0.39 -0.57 0.00 0.00 179.45 178.40 3k7r h VAL 25 N 0.92 1.37 0.15 0.50 -1.51 -1.34 -2.65 116.25 113.70 3k7r h VAL 25 Ca 0.52 -1.85 -0.29 0.00 -1.23 0.00 0.00 66.70 63.85 3k7r h VAL 25 Cb 0.61 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 31.71 3k7r h VAL 25 CO -0.29 0.54 -1.35 -0.07 -1.23 0.00 0.00 177.57 175.17 3k7r h LEU 26 N 0.13 0.50 -0.91 4.19 3.38 -0.75 -3.27 115.31 118.58 3k7r h LEU 26 Ca 0.00 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 3k7r h LEU 26 Cb 1.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3k7r h LEU 26 CO 0.08 1.44 -0.49 0.71 0.09 0.00 0.00 178.44 180.27 3k7r h THR 27 N 0.09 1.35 0.00 0.22 1.35 -1.07 -2.19 112.91 112.66 3k7r h THR 27 Ca -0.18 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3k7r h THR 27 Cb 2.02 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 3k7r h THR 27 CO 0.21 0.50 0.19 0.11 -0.25 0.00 0.00 175.52 176.27 3k7r h LYS 28 N 0.11 0.00 -0.53 4.72 1.57 -1.52 -2.05 116.57 118.86 3k7r h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k7r h LYS 28 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3k7r h LYS 28 CO 0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3k7r n LEU 29 N -2.48 3.88 -4.79 2.94 4.77 -0.82 -4.94 117.00 115.56 3k7r n LEU 29 Ca -0.02 -2.25 -0.35 0.00 -0.03 0.00 0.00 56.01 53.37 3k7r n LEU 29 Cb 0.22 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3k7r n LEU 29 CO 0.11 0.82 0.75 -1.61 -1.33 0.00 0.00 177.39 176.13 3k7r s GLU 30 N -1.46 3.67 0.00 3.23 2.02 -0.77 -1.00 118.70 124.39 3k7r s GLU 30 Ca 0.41 1.48 0.16 0.00 0.02 0.00 0.00 54.97 57.04 3k7r s GLU 30 Cb 0.24 -2.11 0.66 0.00 0.10 0.00 0.00 34.13 33.03 3k7r s GLU 30 CO 0.22 -0.56 1.47 -0.35 0.02 0.00 0.00 175.26 176.06 3k7r n PRO 31 N -0.99 1.49 -0.30 0.39 -0.04 -1.26 -4.83 135.00 129.46 3k7r n PRO 31 Ca 0.10 -0.75 -0.03 0.00 -0.04 0.00 0.00 63.50 62.78 3k7r n PRO 31 Cb 0.51 -1.30 0.12 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.41 1.06 -3.32 3.54 3.32 -1.47 -3.31 116.42 117.65 3k7r h ASP 32 Ca 0.00 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 3k7r h ASP 32 Cb 0.31 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 39.51 3k7r h ASP 32 CO 0.00 0.85 0.38 -0.69 -1.72 0.00 0.00 179.24 178.06 3k7r s VAL 33 N -5.81 4.88 -0.24 -1.35 1.01 -0.19 -2.41 120.40 116.30 3k7r s VAL 33 Ca -0.12 1.50 0.14 0.00 0.00 0.00 0.00 61.98 63.49 3k7r s VAL 33 Cb 0.17 -4.08 -0.19 0.00 0.00 0.00 0.00 36.38 32.28 3k7r s VAL 33 CO 0.82 -0.02 0.40 -1.54 0.00 0.00 0.00 175.10 174.76 3k7r n SER 34 N 5.69 1.42 -3.72 3.32 3.41 0.15 -4.18 113.62 119.72 3k7r n SER 34 Ca 0.04 -0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.23 3k7r n SER 34 Cb 0.48 1.41 -0.10 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.71 0.49 -0.07 4.33 2.20 -1.17 -5.00 119.74 117.80 3k7r s LYS 35 Ca -0.01 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.26 3k7r s LYS 35 Cb 0.09 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 3k7r s LYS 35 CO 0.56 -0.08 -0.15 0.42 -0.36 0.00 0.00 175.35 175.75 3k7r s ILE 36 N 0.41 1.38 -0.16 5.43 1.01 -1.26 -0.98 121.20 127.03 3k7r s ILE 36 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3k7r s ILE 36 Cb -0.04 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.25 3k7r s ILE 36 CO -0.02 0.41 -0.02 -1.81 0.00 0.00 0.00 174.94 173.50 3k7r s ASP 37 N 0.55 2.69 -0.15 3.58 1.01 0.30 -5.01 116.67 119.65 3k7r s ASP 37 Ca -0.15 -0.63 -0.02 0.00 0.71 0.00 0.00 52.55 52.46 3k7r s ASP 37 Cb -0.16 -0.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.98 3k7r s ASP 37 CO 0.05 -0.22 -0.08 -0.63 0.21 0.00 0.00 175.17 174.50 3k7r s ILE 38 N 1.73 3.48 -0.37 0.77 1.01 -1.26 -0.26 121.20 126.30 3k7r s ILE 38 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3k7r s ILE 38 Cb -0.15 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3k7r s ILE 38 CO -0.07 0.51 0.18 -0.55 0.00 0.00 0.00 174.94 175.00 3k7r s SER 39 N 0.39 5.51 0.18 3.58 0.15 0.32 -4.96 113.70 118.88 3k7r s SER 39 Ca -0.07 -1.25 -0.13 0.00 0.70 0.00 0.00 55.95 55.19 3k7r s SER 39 Cb -0.15 -1.94 0.08 0.00 -1.71 0.00 0.00 66.02 62.30 3k7r s SER 39 CO 0.04 -0.41 1.83 0.25 1.20 0.00 0.00 173.24 176.14 3k7r h LEU 40 N 8.32 0.67 -0.74 3.45 5.85 -1.96 0.26 115.31 131.16 3k7r h LEU 40 Ca -0.23 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3k7r h LEU 40 Cb 1.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3k7r h LEU 40 CO 0.67 0.51 0.22 -0.33 -0.34 0.00 0.00 178.44 179.16 3k7r h GLU 41 N 0.77 1.17 0.00 1.25 3.07 -1.92 -2.93 114.58 115.97 3k7r h GLU 41 Ca 0.21 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3k7r h GLU 41 Cb -0.05 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3k7r h GLU 41 CO -0.04 1.00 -0.50 1.63 -1.40 0.00 0.00 179.01 179.70 3k7r n LYS 42 N -4.24 0.14 -3.20 2.33 5.02 -1.11 -4.94 118.16 112.16 3k7r n LYS 42 Ca 0.06 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 3k7r n LYS 42 Cb 0.24 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.80 -5.11 -4.55 1.97 1.13 0.05 -4.97 117.38 104.11 3k7r n GLN 43 Ca 0.05 0.53 -0.26 0.00 -1.94 0.00 0.00 57.00 55.37 3k7r n GLN 43 Cb 0.39 -4.66 -0.14 0.00 0.11 0.00 0.00 30.24 25.94 3k7r n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3k7r s LEU 44 N -5.03 2.23 -0.18 1.08 1.43 -1.02 -1.75 118.68 115.44 3k7r s LEU 44 Ca 0.37 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3k7r s LEU 44 Cb -0.16 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 45.06 3k7r s LEU 44 CO 0.47 0.15 -0.00 -0.69 0.23 0.00 0.00 176.35 176.50 3k7r s VAL 45 N -0.94 0.82 -0.16 -1.59 1.01 -0.62 -0.52 120.40 118.40 3k7r s VAL 45 Ca 0.09 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3k7r s VAL 45 Cb -0.10 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3k7r s VAL 45 CO 0.03 -0.06 0.09 -1.81 0.00 0.00 0.00 175.10 173.35 3k7r s ASP 46 N 1.74 5.89 -0.03 3.32 1.01 0.64 -0.84 116.67 128.39 3k7r s ASP 46 Ca -0.01 0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.51 3k7r s ASP 46 Cb -0.16 -1.96 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 3k7r s ASP 46 CO -0.07 0.26 -0.15 -0.69 0.21 0.00 0.00 175.17 174.72 3k7r s VAL 47 N -0.11 1.26 -0.14 -1.27 1.01 -0.13 -0.54 120.40 120.47 3k7r s VAL 47 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k7r s VAL 47 Cb -0.12 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3k7r s VAL 47 CO 0.01 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 174.96 3k7r s TYR 48 N -0.05 2.69 -0.04 5.22 1.51 -0.15 -1.50 117.35 125.02 3k7r s TYR 48 Ca -0.01 -1.21 -0.29 0.00 -1.01 0.00 0.00 57.07 54.55 3k7r s TYR 48 Cb -0.09 -1.82 0.10 0.00 -0.11 0.00 0.00 41.96 40.03 3k7r s TYR 48 CO 0.01 -0.54 0.83 -0.08 -1.11 0.00 0.00 175.55 174.65 3k7r s THR 49 N 0.74 0.00 -0.84 -0.71 -1.32 -0.45 -0.67 115.64 112.39 3k7r s THR 49 Ca -0.08 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 3k7r s THR 49 Cb -0.16 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.88 3k7r s THR 49 CO 0.00 0.00 1.42 0.35 -2.21 0.00 0.00 174.62 174.18 3k7r n THR 50 N 0.34 0.16 -2.04 5.08 -2.24 -1.01 0.46 114.28 115.04 3k7r n THR 50 Ca -0.13 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 3k7r n THR 50 Cb 0.60 0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.56 3.55 0.35 3.22 1.43 -1.26 -4.86 118.68 117.55 3k7r s LEU 51 Ca 0.09 1.97 -0.27 0.00 -1.03 0.00 0.00 54.13 54.89 3k7r s LEU 51 Cb 0.16 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3k7r s LEU 51 CO 0.70 -1.31 1.23 -2.84 0.23 0.00 0.00 176.35 174.36 3k7r s PRO 52 N -3.82 4.27 0.22 1.29 0.02 -1.26 -4.88 135.00 130.83 3k7r s PRO 52 Ca 0.67 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.60 3k7r s PRO 52 Cb -0.19 -2.94 0.27 0.00 0.02 0.00 0.00 34.50 31.66 3k7r s PRO 52 CO 0.35 -0.20 1.37 0.98 -0.33 0.00 0.00 177.00 179.17 3k7r n TYR 53 N 0.57 0.12 -0.34 6.54 9.36 -1.26 -1.73 117.16 130.42 3k7r n TYR 53 Ca 0.01 1.08 0.05 0.00 3.32 0.00 0.00 57.90 62.37 3k7r n TYR 53 Cb 0.44 -0.89 0.23 0.00 -0.63 0.00 0.00 39.34 38.49 3k7r n TYR 53 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3k7r h ASP 54 N 0.00 0.94 -0.19 2.98 2.03 -1.99 0.63 116.42 120.82 3k7r h ASP 54 Ca 0.34 0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.63 3k7r h ASP 54 Cb 0.56 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 3k7r h ASP 54 CO -0.89 0.56 -0.01 0.15 -1.03 0.00 0.00 179.24 178.03 3k7r h PHE 55 N 1.04 0.38 -0.38 4.15 3.57 -1.71 -1.84 116.94 122.15 3k7r h PHE 55 Ca 0.44 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3k7r h PHE 55 Cb 0.32 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3k7r h PHE 55 CO -0.00 0.55 0.18 0.82 -2.23 0.00 0.00 178.31 177.63 3k7r h ILE 56 N 0.09 1.17 -0.56 1.41 1.08 -0.94 -1.84 117.51 117.92 3k7r h ILE 56 Ca 0.05 -0.49 0.09 0.00 -0.39 0.00 0.00 64.86 64.13 3k7r h ILE 56 Cb 0.41 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 3k7r h ILE 56 CO 0.01 0.18 0.16 0.25 -0.69 0.00 0.00 178.15 178.07 3k7r h LEU 57 N 0.47 0.10 -0.54 1.44 5.85 -0.82 -1.72 115.31 120.10 3k7r h LEU 57 Ca 0.13 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 3k7r h LEU 57 Cb 0.12 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3k7r h LEU 57 CO -0.02 0.07 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.18 3k7r h GLU 58 N 0.32 0.32 -0.16 1.25 4.39 -1.13 -0.85 114.58 118.71 3k7r h GLU 58 Ca 0.29 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3k7r h GLU 58 Cb 0.37 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3k7r h GLU 58 CO -0.33 0.86 0.10 0.87 -1.16 0.00 0.00 179.01 179.36 3k7r h LYS 59 N 0.23 0.22 0.31 2.33 1.79 -0.64 -1.90 116.57 118.91 3k7r h LYS 59 Ca -0.01 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 3k7r h LYS 59 Cb 1.19 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3k7r h LYS 59 CO 0.11 0.17 -0.15 0.82 -1.08 0.00 0.00 179.45 179.31 3k7r h ILE 60 N 0.20 0.70 -0.76 1.86 2.04 -1.22 -3.06 117.51 117.27 3k7r h ILE 60 Ca 0.06 -0.09 0.19 0.00 1.00 0.00 0.00 64.86 66.02 3k7r h ILE 60 Cb 0.00 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3k7r h ILE 60 CO -0.01 0.02 0.53 0.11 0.00 0.00 0.00 178.15 178.79 3k7r h LYS 61 N -0.47 0.17 0.00 2.37 1.57 -1.08 0.15 116.57 119.28 3k7r h LYS 61 Ca -0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3k7r h LYS 61 Cb 0.35 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3k7r h LYS 61 CO 0.07 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 3k7r n LYS 62 N -4.40 0.99 0.24 3.15 5.02 -0.72 -1.40 118.16 121.03 3k7r n LYS 62 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 3k7r n LYS 62 Cb 0.71 -1.46 0.37 0.00 -0.02 0.00 0.00 35.03 34.63 3k7r n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3k7r h THR 63 N 0.00 0.07 0.00 -0.18 1.35 -1.05 -3.47 112.91 109.64 3k7r h THR 63 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3k7r h THR 63 Cb 0.00 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3k7r h THR 63 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3k7r n GLY 64 N 0.66 0.76 3.74 5.82 0.00 -0.49 -5.05 105.19 110.62 3k7r n GLY 64 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.48 4.64 0.02 1.61 -0.14 -1.26 -5.00 119.74 119.14 3k7r s LYS 65 Ca 0.00 1.65 -0.30 0.00 -1.36 0.00 0.00 55.97 55.96 3k7r s LYS 65 Cb 0.00 -3.29 -0.06 0.00 -1.68 0.00 0.00 37.83 32.80 3k7r s LYS 65 CO 0.00 0.16 1.43 -2.00 -0.76 0.00 0.00 175.35 174.18 3k7r s GLU 66 N -0.48 4.28 -0.32 1.68 2.12 -1.26 -4.64 118.70 120.07 3k7r s GLU 66 Ca 0.48 2.01 -0.14 0.00 0.36 0.00 0.00 54.97 57.68 3k7r s GLU 66 Cb -0.28 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 3k7r s GLU 66 CO 0.34 -0.58 0.33 0.08 -0.54 0.00 0.00 175.26 174.90 3k7r s VAL 67 N 2.32 5.19 0.06 3.70 1.01 -1.26 -0.97 120.40 130.45 3k7r s VAL 67 Ca 0.65 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 3k7r s VAL 67 Cb -0.33 -3.76 -0.28 0.00 0.00 0.00 0.00 36.38 32.01 3k7r s VAL 67 CO 0.27 -0.01 1.12 0.03 0.00 0.00 0.00 175.10 176.51 3k7r h ARG 68 N 8.41 0.65 -2.66 2.72 2.47 -0.21 -3.48 114.38 122.28 3k7r h ARG 68 Ca -0.31 -0.83 0.08 0.00 -1.26 0.00 0.00 59.98 57.66 3k7r h ARG 68 Cb 1.15 0.27 -0.10 0.00 -1.65 0.00 0.00 29.97 29.64 3k7r h ARG 68 CO 0.66 1.38 0.35 -1.54 0.56 0.00 0.00 179.97 181.39 3k7r s SER 69 N -7.41 -0.35 0.05 7.04 1.04 -1.21 -5.01 113.70 107.84 3k7r s SER 69 Ca -0.09 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 3k7r s SER 69 Cb 0.06 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 3k7r s SER 69 CO 0.93 -0.95 0.17 -0.83 0.98 0.00 0.00 173.24 173.54 3k7r s GLY 70 N -2.77 0.08 0.19 7.32 0.00 -1.26 -0.86 107.32 110.01 3k7r s GLY 70 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 3k7r s GLY 70 CO -0.04 -0.58 0.34 -1.59 0.00 0.00 0.00 173.10 171.23 3k7r s LYS 71 N -2.81 1.26 -0.16 2.90 -2.85 0.20 -4.99 119.74 113.29 3k7r s LYS 71 Ca -0.03 -1.19 -0.07 0.00 -1.00 0.00 0.00 55.97 53.68 3k7r s LYS 71 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 3k7r s LYS 71 CO -0.05 -0.48 0.07 -1.14 0.10 0.00 0.00 175.35 173.85 3k7r s GLN 72 N -3.98 3.73 0.00 1.78 0.74 -1.26 -1.29 119.66 119.38 3k7r s GLN 72 Ca 0.19 -0.31 0.12 0.00 0.05 0.00 0.00 55.36 55.41 3k7r s GLN 72 Cb 0.02 -3.15 0.10 0.00 1.10 0.00 0.00 33.01 31.08 3k7r s GLN 72 CO 0.02 0.44 0.88 1.28 -0.55 0.00 0.00 175.29 177.36