#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 4.64 -0.19 0.00 0.41 -1.26 -4.94 118.70 117.36 3k7r s GLU 3 Ca 0.00 1.58 -0.23 0.00 -0.41 0.00 0.00 54.97 55.92 3k7r s GLU 3 Cb 0.00 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 3k7r s GLU 3 CO 0.00 0.12 0.71 0.42 -0.49 0.00 0.00 175.26 176.02 3k7r s ILE 4 N -0.02 4.96 0.08 -1.63 1.01 -1.26 -4.24 121.20 120.10 3k7r s ILE 4 Ca 0.49 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 3k7r s ILE 4 Cb -0.26 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3k7r s ILE 4 CO 0.32 0.07 0.30 -0.54 0.00 0.00 0.00 174.94 175.09 3k7r s LYS 5 N 2.02 3.56 -0.23 2.79 3.01 0.14 -4.85 119.74 126.17 3k7r s LYS 5 Ca 0.32 -0.17 -0.06 0.00 -1.01 0.00 0.00 55.97 55.06 3k7r s LYS 5 Cb -0.16 -2.98 -0.02 0.00 -1.01 0.00 0.00 37.83 33.66 3k7r s LYS 5 CO 0.11 0.56 0.02 -1.58 0.51 0.00 0.00 175.35 174.97 3k7r s HIS 6 N -1.50 3.03 -0.06 3.18 5.65 -1.26 -1.77 115.29 122.55 3k7r s HIS 6 Ca 0.35 -0.62 0.02 0.00 0.25 0.00 0.00 55.06 55.06 3k7r s HIS 6 Cb -0.13 -2.17 -0.03 0.00 -1.18 0.00 0.00 32.58 29.07 3k7r s HIS 6 CO 0.23 -0.42 -0.12 0.71 -0.65 0.00 0.00 174.74 174.49 3k7r s TYR 7 N 1.50 2.79 -0.06 3.88 2.02 0.22 0.04 117.35 127.74 3k7r s TYR 7 Ca 0.06 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3k7r s TYR 7 Cb -0.15 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 3k7r s TYR 7 CO 0.01 0.19 -0.22 -1.14 -1.57 0.00 0.00 175.55 172.82 3k7r s GLN 8 N -0.63 2.32 -0.05 -0.62 0.74 0.48 -1.31 119.66 120.59 3k7r s GLN 8 Ca 0.09 -0.79 0.07 0.00 0.05 0.00 0.00 55.36 54.78 3k7r s GLN 8 Cb -0.11 -1.95 -0.01 0.00 1.10 0.00 0.00 33.01 32.03 3k7r s GLN 8 CO 0.01 0.30 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.74 3k7r s PHE 9 N -0.01 2.41 -0.49 1.67 0.08 0.03 -0.42 117.98 121.24 3k7r s PHE 9 Ca -0.06 -0.63 -0.16 0.00 0.12 0.00 0.00 56.93 56.20 3k7r s PHE 9 Cb -0.14 -1.57 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 3k7r s PHE 9 CO 0.04 -0.16 0.46 1.21 -0.10 0.00 0.00 175.22 176.67 3k7r s ASN 10 N -0.31 6.17 -0.09 1.36 3.84 -0.30 -0.77 114.94 124.83 3k7r s ASN 10 Ca 0.01 -1.27 0.04 0.00 0.21 0.00 0.00 52.86 51.85 3k7r s ASN 10 Cb -0.13 -2.21 -0.01 0.00 -0.55 0.00 0.00 41.25 38.35 3k7r s ASN 10 CO 0.02 -0.73 -0.22 -0.69 -2.79 0.00 0.00 177.10 172.70 3k7r s VAL 11 N 1.88 2.32 -0.28 -5.21 1.01 -0.72 0.36 120.40 119.76 3k7r s VAL 11 Ca 0.07 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 3k7r s VAL 11 Cb -0.24 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3k7r s VAL 11 CO 0.08 0.56 1.97 -0.69 0.00 0.00 0.00 175.10 177.02 3k7r s VAL 12 N 0.08 3.28 -0.08 2.92 1.01 0.49 -4.67 120.40 123.44 3k7r s VAL 12 Ca -0.10 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3k7r s VAL 12 Cb -0.16 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.89 3k7r s VAL 12 CO 0.06 -0.24 0.11 -0.04 0.00 0.00 0.00 175.10 174.99 3k7r s MET 13 N 5.93 -0.01 -0.07 2.72 -1.94 -1.26 -4.41 119.30 120.26 3k7r s MET 13 Ca 0.89 0.40 0.05 0.00 -1.71 0.00 0.00 55.69 55.31 3k7r s MET 13 Cb -0.27 -0.59 -0.08 0.00 2.01 0.00 0.00 34.83 35.90 3k7r s MET 13 CO 0.34 -0.37 0.00 2.41 -0.01 0.00 0.00 175.02 177.40 3k7r n THR 14 N 5.31 0.48 -4.47 2.05 -1.04 -1.26 -4.87 114.28 110.48 3k7r n THR 14 Ca -0.04 -0.27 -0.23 0.00 -2.04 0.00 0.00 64.05 61.47 3k7r n THR 14 Cb 0.50 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 3k7r n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k7r n SER 16 N -1.50 0.17 -0.01 0.00 3.41 -1.26 -2.71 113.62 111.72 3k7r n SER 16 Ca -0.09 -0.25 -0.13 0.00 -0.26 0.00 0.00 58.87 58.15 3k7r n SER 16 Cb 0.51 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 3k7r n SER 16 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3k7r h GLY 17 N 4.99 -0.04 -0.53 5.00 0.00 -1.96 -0.65 103.07 109.87 3k7r h GLY 17 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.47 3k7r h GLY 17 CO 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 176.54 176.22 3k7r h SER 19 N -0.10 0.73 -0.66 0.00 4.64 -1.62 -2.79 113.55 113.76 3k7r h SER 19 Ca 0.28 -0.85 0.10 0.00 -0.47 0.00 0.00 61.79 60.85 3k7r h SER 19 Cb 0.56 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 3k7r h SER 19 CO -0.75 1.52 0.44 1.23 -0.87 0.00 0.00 176.83 178.39 3k7r h GLY 20 N 0.06 0.68 1.24 -0.77 0.00 -0.94 -0.50 103.07 102.84 3k7r h GLY 20 Ca -0.17 -0.19 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 3k7r h GLY 20 CO 0.21 0.11 -0.59 0.00 0.00 0.00 0.00 176.54 176.27 3k7r h ALA 21 N 1.67 0.49 -0.15 3.60 0.00 -0.10 -1.78 119.26 122.99 3k7r h ALA 21 Ca 0.31 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3k7r h ALA 21 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k7r h ALA 21 CO -0.09 0.69 0.08 0.28 0.00 0.00 0.00 179.25 180.21 3k7r h VAL 22 N 0.59 1.09 -0.93 0.00 2.07 -1.32 -2.82 116.25 114.94 3k7r h VAL 22 Ca 0.00 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.39 3k7r h VAL 22 Cb 1.19 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 3k7r h VAL 22 CO 0.12 0.08 0.55 -1.13 0.02 0.00 0.00 177.57 177.22 3k7r h ASN 23 N 0.15 0.79 -0.32 0.57 -1.24 -0.97 -1.90 115.58 112.66 3k7r h ASN 23 Ca 0.05 0.06 -0.15 0.00 0.71 0.00 0.00 56.30 56.97 3k7r h ASN 23 Cb 0.06 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 3k7r h ASN 23 CO -0.01 0.41 -0.40 0.50 -1.29 0.00 0.00 177.43 176.64 3k7r h LYS 24 N 0.87 0.83 -0.19 6.67 3.64 -1.17 -1.00 116.57 126.22 3k7r h LYS 24 Ca 0.46 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3k7r h LYS 24 Cb 0.49 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3k7r h LYS 24 CO -0.28 1.10 -0.31 -0.39 -2.27 0.00 0.00 179.45 177.30 3k7r h VAL 25 N 0.60 1.28 -0.08 2.00 -1.51 -1.19 -2.66 116.25 114.70 3k7r h VAL 25 Ca 0.04 -1.35 -0.06 0.00 -1.23 0.00 0.00 66.70 64.10 3k7r h VAL 25 Cb 0.99 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3k7r h VAL 25 CO 0.09 0.42 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.60 3k7r h LEU 26 N 0.34 0.29 -1.34 4.19 3.38 -1.11 -3.29 115.31 117.78 3k7r h LEU 26 Ca 0.04 -0.58 0.10 0.00 0.09 0.00 0.00 57.88 57.54 3k7r h LEU 26 Cb 0.72 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3k7r h LEU 26 CO 0.06 0.82 0.52 0.71 0.09 0.00 0.00 178.44 180.64 3k7r h THR 27 N -0.22 0.94 -0.43 0.22 1.35 -1.19 -0.53 112.91 113.06 3k7r h THR 27 Ca -0.00 -0.25 0.12 0.00 -0.55 0.00 0.00 66.41 65.73 3k7r h THR 27 Cb 0.77 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 3k7r h THR 27 CO 0.04 0.13 0.64 0.11 -0.25 0.00 0.00 175.52 176.19 3k7r h LYS 28 N 0.73 0.00 -0.17 4.72 1.57 -1.53 -2.51 116.57 119.37 3k7r h LYS 28 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3k7r h LYS 28 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3k7r h LYS 28 CO -0.14 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.02 3k7r n LEU 29 N -3.34 2.29 -4.77 2.94 4.77 -0.21 -4.84 117.00 113.85 3k7r n LEU 29 Ca 0.08 -0.90 -0.41 0.00 -0.03 0.00 0.00 56.01 54.76 3k7r n LEU 29 Cb 0.80 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3k7r n LEU 29 CO 0.21 0.45 1.00 -1.61 -1.33 0.00 0.00 177.39 176.12 3k7r s GLU 30 N -1.80 4.32 0.00 3.23 2.02 -0.95 -1.44 118.70 124.08 3k7r s GLU 30 Ca 0.34 2.27 0.23 0.00 0.02 0.00 0.00 54.97 57.83 3k7r s GLU 30 Cb 0.20 -3.06 0.73 0.00 0.10 0.00 0.00 34.13 32.10 3k7r s GLU 30 CO 0.30 -0.24 1.55 -0.35 0.02 0.00 0.00 175.26 176.54 3k7r n PRO 31 N 0.78 1.86 0.00 0.39 -0.04 -1.26 -4.89 135.00 131.84 3k7r n PRO 31 Ca 0.00 -1.29 0.15 0.00 -0.04 0.00 0.00 63.50 62.32 3k7r n PRO 31 Cb 0.41 -1.43 0.71 0.00 -0.04 0.00 0.00 33.50 33.15 3k7r n PRO 31 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k7r n ASP 32 N 0.52 0.15 -4.37 3.54 8.00 -0.52 -4.62 116.55 119.24 3k7r n ASP 32 Ca 0.17 -0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.02 3k7r n ASP 32 Cb 0.39 -0.21 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 3k7r n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k7r s VAL 33 N -2.54 3.82 -0.98 2.53 1.01 -1.09 -2.59 120.40 120.55 3k7r s VAL 33 Ca 0.29 -0.35 0.24 0.00 0.00 0.00 0.00 61.98 62.16 3k7r s VAL 33 Cb 0.20 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 3k7r s VAL 33 CO 0.47 0.38 1.26 -1.54 0.00 0.00 0.00 175.10 175.66 3k7r n SER 34 N 4.86 0.64 -3.64 3.32 3.41 -0.08 -4.62 113.62 117.51 3k7r n SER 34 Ca -0.17 -0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 57.95 3k7r n SER 34 Cb 0.51 0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 64.87 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 -3.01 0.39 -0.22 4.33 2.20 -1.21 -4.99 119.74 117.22 3k7r s LYS 35 Ca 0.10 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.33 3k7r s LYS 35 Cb 0.17 0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.64 3k7r s LYS 35 CO 0.75 -0.07 -0.15 0.42 -0.36 0.00 0.00 175.35 175.94 3k7r s ILE 36 N 1.02 2.13 -0.32 5.43 1.01 -1.26 -1.02 121.20 128.20 3k7r s ILE 36 Ca -0.06 -1.31 -0.01 0.00 0.00 0.00 0.00 60.65 59.28 3k7r s ILE 36 Cb -0.04 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.41 3k7r s ILE 36 CO -0.13 0.23 0.02 -1.81 0.00 0.00 0.00 174.94 173.26 3k7r s ASP 37 N 1.19 4.87 -0.18 3.58 1.01 0.06 -4.99 116.67 122.22 3k7r s ASP 37 Ca -0.02 -1.50 -0.07 0.00 0.71 0.00 0.00 52.55 51.66 3k7r s ASP 37 Cb -0.17 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3k7r s ASP 37 CO -0.09 -0.31 0.05 -0.63 0.21 0.00 0.00 175.17 174.41 3k7r s ILE 38 N 1.18 4.73 -0.35 0.77 1.01 -1.26 -0.60 121.20 126.68 3k7r s ILE 38 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.58 3k7r s ILE 38 Cb -0.20 -3.13 0.09 0.00 0.01 0.00 0.00 42.46 39.23 3k7r s ILE 38 CO -0.03 0.46 0.08 -0.55 0.00 0.00 0.00 174.94 174.90 3k7r s SER 39 N 0.35 4.92 0.30 3.58 0.15 -0.10 -4.96 113.70 117.95 3k7r s SER 39 Ca 0.03 -1.87 -0.00 0.00 0.70 0.00 0.00 55.95 54.80 3k7r s SER 39 Cb -0.12 -1.70 0.50 0.00 -1.71 0.00 0.00 66.02 62.98 3k7r s SER 39 CO 0.00 -0.39 1.94 0.25 1.20 0.00 0.00 173.24 176.24 3k7r h LEU 40 N 7.85 0.92 -0.35 3.45 5.85 -1.96 -1.65 115.31 129.41 3k7r h LEU 40 Ca -0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3k7r h LEU 40 Cb 1.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3k7r h LEU 40 CO 0.58 0.63 0.23 -0.08 -0.34 0.00 0.00 178.44 179.45 3k7r h GLU 41 N 1.06 0.47 -0.22 1.25 4.57 -1.93 -2.84 114.58 116.95 3k7r h GLU 41 Ca 0.35 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3k7r h GLU 41 Cb 0.05 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3k7r h GLU 41 CO -0.11 0.33 0.00 1.63 -1.18 0.00 0.00 179.01 179.68 3k7r n LYS 42 N -4.83 1.84 -4.00 1.92 5.02 -1.04 -4.93 118.16 112.14 3k7r n LYS 42 Ca -0.00 -1.27 -0.31 0.00 -2.02 0.00 0.00 58.31 54.71 3k7r n LYS 42 Cb 0.03 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.49 -4.71 -4.70 1.97 6.02 -0.66 -4.97 117.38 110.83 3k7r n GLN 43 Ca 0.16 0.52 -0.30 0.00 -0.01 0.00 0.00 57.00 57.38 3k7r n GLN 43 Cb 0.36 -5.32 -0.14 0.00 1.02 0.00 0.00 30.24 26.16 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 -7.24 2.26 -0.15 1.08 1.43 -0.99 -1.76 118.68 113.31 3k7r s LEU 44 Ca 0.63 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3k7r s LEU 44 Cb -0.32 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.66 3k7r s LEU 44 CO 0.86 0.23 -0.04 -0.69 0.23 0.00 0.00 176.35 176.94 3k7r s VAL 45 N -0.91 0.93 -0.15 -1.59 1.01 0.05 -0.92 120.40 118.81 3k7r s VAL 45 Ca 0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3k7r s VAL 45 Cb -0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3k7r s VAL 45 CO 0.04 0.13 -0.05 -1.81 0.00 0.00 0.00 175.10 173.41 3k7r s ASP 46 N 1.72 4.65 -0.05 3.32 1.01 0.23 -0.79 116.67 126.75 3k7r s ASP 46 Ca 0.02 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.13 3k7r s ASP 46 Cb -0.15 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.03 3k7r s ASP 46 CO -0.07 0.16 -0.15 -0.69 0.21 0.00 0.00 175.17 174.63 3k7r s VAL 47 N 0.41 1.27 -0.20 -1.27 1.01 -0.43 -0.76 120.40 120.43 3k7r s VAL 47 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3k7r s VAL 47 Cb -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3k7r s VAL 47 CO 0.03 0.38 -0.03 -0.31 0.00 0.00 0.00 175.10 175.17 3k7r s TYR 48 N 0.31 2.98 0.02 5.22 1.51 -0.19 -0.61 117.35 126.59 3k7r s TYR 48 Ca -0.09 -0.69 -0.28 0.00 -1.01 0.00 0.00 57.07 55.01 3k7r s TYR 48 Cb -0.13 -2.07 0.09 0.00 -0.11 0.00 0.00 41.96 39.75 3k7r s TYR 48 CO 0.03 -0.37 0.81 -0.08 -1.11 0.00 0.00 175.55 174.82 3k7r s THR 49 N 1.14 0.00 -0.45 -0.71 -1.32 -0.73 -0.90 115.64 112.67 3k7r s THR 49 Ca 0.02 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.73 3k7r s THR 49 Cb -0.15 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.81 3k7r s THR 49 CO 0.00 0.00 1.10 0.35 -2.21 0.00 0.00 174.62 173.86 3k7r n THR 50 N -0.09 0.39 -1.78 5.08 -2.24 -1.07 0.24 114.28 114.81 3k7r n THR 50 Ca -0.12 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 3k7r n THR 50 Cb 0.62 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -4.58 3.50 0.60 3.22 1.43 -1.26 -4.84 118.68 116.75 3k7r s LEU 51 Ca 0.02 2.28 -0.17 0.00 -1.03 0.00 0.00 54.13 55.23 3k7r s LEU 51 Cb 0.12 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 3k7r s LEU 51 CO 0.78 -1.79 1.14 -2.84 0.23 0.00 0.00 176.35 173.87 3k7r s PRO 52 N -3.68 3.01 0.20 1.29 0.02 -1.26 -4.91 135.00 129.66 3k7r s PRO 52 Ca 0.74 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 3k7r s PRO 52 Cb -0.27 -1.96 0.20 0.00 0.02 0.00 0.00 34.50 32.48 3k7r s PRO 52 CO 0.38 -1.12 1.63 -0.92 -0.33 0.00 0.00 177.00 176.64 3k7r h TYR 53 N 0.64 -0.40 -0.72 6.54 3.20 -1.98 -2.57 116.97 121.67 3k7r h TYR 53 Ca -0.49 0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 3k7r h TYR 53 Cb 1.27 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.77 3k7r h TYR 53 CO 0.51 -0.28 0.17 0.22 -1.64 0.00 0.00 178.16 177.15 3k7r h ASP 54 N -0.03 1.09 -0.54 -2.11 3.58 -1.98 0.23 116.42 116.65 3k7r h ASP 54 Ca 0.27 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3k7r h ASP 54 Cb 0.46 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3k7r h ASP 54 CO -0.61 1.04 0.26 0.15 -2.88 0.00 0.00 179.24 177.19 3k7r h PHE 55 N 1.09 0.78 -0.02 0.28 3.57 -1.89 -0.16 116.94 120.59 3k7r h PHE 55 Ca 0.22 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3k7r h PHE 55 Cb 0.38 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3k7r h PHE 55 CO 0.03 0.61 0.01 0.82 -2.23 0.00 0.00 178.31 177.55 3k7r h ILE 56 N 0.73 1.08 -0.53 1.41 1.08 -0.97 -2.27 117.51 118.03 3k7r h ILE 56 Ca 0.19 -0.23 0.10 0.00 -0.39 0.00 0.00 64.86 64.53 3k7r h ILE 56 Cb 0.12 1.19 -0.08 0.00 -3.07 0.00 0.00 36.82 34.98 3k7r h ILE 56 CO -0.02 0.06 0.04 0.25 -0.69 0.00 0.00 178.15 177.79 3k7r h LEU 57 N -0.06 -0.14 -0.80 1.44 5.85 -0.25 -1.78 115.31 119.57 3k7r h LEU 57 Ca 0.01 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3k7r h LEU 57 Cb 0.09 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3k7r h LEU 57 CO -0.00 -0.04 0.09 -0.08 -0.34 0.00 0.00 178.44 178.06 3k7r h GLU 58 N 0.16 0.99 -0.61 1.25 4.57 -0.98 -1.75 114.58 118.21 3k7r h GLU 58 Ca 0.27 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3k7r h GLU 58 Cb 0.40 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3k7r h GLU 58 CO -0.41 0.92 0.34 0.87 -1.18 0.00 0.00 179.01 179.55 3k7r h LYS 59 N 0.93 0.84 -0.64 1.92 1.79 -0.79 -2.41 116.57 118.22 3k7r h LYS 59 Ca 0.19 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3k7r h LYS 59 Cb 0.42 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 3k7r h LYS 59 CO 0.01 0.63 0.39 0.82 -1.08 0.00 0.00 179.45 180.22 3k7r h ILE 60 N 0.82 1.08 0.00 1.86 2.04 -1.10 -2.85 117.51 119.36 3k7r h ILE 60 Ca 0.22 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3k7r h ILE 60 Cb 0.02 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3k7r h ILE 60 CO -0.04 0.14 -0.12 0.11 0.00 0.00 0.00 178.15 178.24 3k7r h LYS 61 N 0.77 0.00 0.00 2.37 1.57 -1.06 -2.20 116.57 118.02 3k7r h LYS 61 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3k7r h LYS 61 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3k7r h LYS 61 CO -0.11 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 3k7r n LYS 62 N -3.37 0.11 0.23 3.15 4.76 -0.93 -0.84 118.16 121.28 3k7r n LYS 62 Ca -0.01 0.54 0.13 0.00 -2.87 0.00 0.00 58.31 56.10 3k7r n LYS 62 Cb 0.31 -1.82 0.30 0.00 -1.84 0.00 0.00 35.03 31.98 3k7r n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3k7r h THR 63 N 0.00 0.08 0.00 -0.18 1.35 -1.53 -3.47 112.91 109.16 3k7r h THR 63 Ca 0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3k7r h THR 63 Cb 0.09 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 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 0.81 1.49 3.74 5.82 0.00 -0.02 -5.03 105.19 112.00 3k7r n GLY 64 Ca 0.03 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 -0.51 4.51 0.12 1.61 -0.14 -1.26 -4.98 119.74 119.09 3k7r s LYS 65 Ca 0.00 1.89 -0.31 0.00 -1.36 0.00 0.00 55.97 56.19 3k7r s LYS 65 Cb 0.00 -3.22 -0.09 0.00 -1.68 0.00 0.00 37.83 32.85 3k7r s LYS 65 CO 0.00 -0.04 1.48 -2.00 -0.76 0.00 0.00 175.35 174.03 3k7r s GLU 66 N -0.58 4.27 -0.46 1.68 2.12 -1.26 -4.72 118.70 119.75 3k7r s GLU 66 Ca 0.51 2.19 -0.17 0.00 0.36 0.00 0.00 54.97 57.86 3k7r s GLU 66 Cb -0.33 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 30.84 3k7r s GLU 66 CO 0.39 -0.53 0.46 0.08 -0.54 0.00 0.00 175.26 175.11 3k7r s VAL 67 N 1.33 5.09 0.24 3.70 1.01 -1.26 -0.38 120.40 130.13 3k7r s VAL 67 Ca 0.67 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3k7r s VAL 67 Cb -0.39 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 31.92 3k7r s VAL 67 CO 0.30 -0.55 1.67 0.03 0.00 0.00 0.00 175.10 176.55 3k7r h ARG 68 N 8.79 0.68 -2.63 2.72 3.08 -0.46 -3.47 114.38 123.10 3k7r h ARG 68 Ca -0.27 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.58 3k7r h ARG 68 Cb 1.11 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.99 3k7r h ARG 68 CO 0.86 0.84 0.36 -1.54 -1.07 0.00 0.00 179.97 179.41 3k7r s SER 69 N -6.76 -0.42 0.07 7.04 1.04 -1.15 -5.00 113.70 108.53 3k7r s SER 69 Ca -0.08 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 3k7r s SER 69 Cb 0.13 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3k7r s SER 69 CO 0.82 -0.85 0.14 -0.83 0.98 0.00 0.00 173.24 173.49 3k7r s GLY 70 N -2.67 0.17 0.09 7.32 0.00 -1.26 -1.15 107.32 109.81 3k7r s GLY 70 Ca 0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 3k7r s GLY 70 CO -0.08 -0.88 0.39 -1.59 0.00 0.00 0.00 173.10 170.93 3k7r s LYS 71 N -3.70 0.98 -0.22 2.90 -2.85 0.44 -4.98 119.74 112.30 3k7r s LYS 71 Ca 0.04 -0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 54.32 3k7r s LYS 71 Cb 0.05 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 3k7r s LYS 71 CO -0.10 -0.36 0.22 -1.14 0.10 0.00 0.00 175.35 174.08 3k7r s GLN 72 N -3.21 4.13 0.00 1.78 0.74 -1.26 -0.39 119.66 121.45 3k7r s GLN 72 Ca -0.01 -0.12 0.29 0.00 0.05 0.00 0.00 55.36 55.57 3k7r s GLN 72 Cb 0.01 -3.51 1.21 0.00 1.10 0.00 0.00 33.01 31.82 3k7r s GLN 72 CO -0.08 0.09 1.84 1.28 -0.55 0.00 0.00 175.29 177.87