#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 2.08 -3.13 0.00 2.13 -1.26 -4.98 120.64 115.48 3k7r n GLU 3 Ca 0.00 0.76 -0.43 0.00 0.66 0.00 0.00 57.16 58.15 3k7r n GLU 3 Cb 0.00 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.07 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 3.32 4.84 0.12 6.31 1.01 -1.26 -4.43 121.20 131.10 3k7r s ILE 4 Ca 0.90 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 3k7r s ILE 4 Cb -0.72 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.43 3k7r s ILE 4 CO 0.50 -0.74 0.31 -0.54 0.00 0.00 0.00 174.94 174.46 3k7r s LYS 5 N 2.75 3.53 -0.20 2.79 1.02 0.54 -4.84 119.74 125.33 3k7r s LYS 5 Ca 0.18 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3k7r s LYS 5 Cb -0.17 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 3k7r s LYS 5 CO 0.15 0.52 -0.16 -1.58 -0.92 0.00 0.00 175.35 173.35 3k7r s HIS 6 N -1.63 2.87 -0.02 3.18 5.65 -1.26 -1.09 115.29 122.98 3k7r s HIS 6 Ca 0.38 -1.57 0.05 0.00 0.25 0.00 0.00 55.06 54.16 3k7r s HIS 6 Cb -0.12 -1.96 -0.03 0.00 -1.18 0.00 0.00 32.58 29.29 3k7r s HIS 6 CO 0.27 -0.77 -0.16 0.71 -0.65 0.00 0.00 174.74 174.14 3k7r s TYR 7 N 1.31 2.65 -0.05 3.88 2.02 -0.27 -1.01 117.35 125.88 3k7r s TYR 7 Ca 0.04 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 3k7r s TYR 7 Cb -0.14 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3k7r s TYR 7 CO -0.10 0.19 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.82 3k7r s GLN 8 N -0.90 1.41 -0.03 -0.62 0.74 -0.33 -0.70 119.66 119.22 3k7r s GLN 8 Ca 0.12 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.21 3k7r s GLN 8 Cb -0.11 -1.22 -0.00 0.00 1.10 0.00 0.00 33.01 32.78 3k7r s GLN 8 CO 0.02 0.06 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.60 3k7r s PHE 9 N 0.50 1.52 -0.37 1.67 0.08 -0.08 -0.76 117.98 120.54 3k7r s PHE 9 Ca -0.10 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.31 3k7r s PHE 9 Cb -0.13 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 3k7r s PHE 9 CO 0.02 -0.11 0.88 1.21 -0.10 0.00 0.00 175.22 177.12 3k7r s ASN 10 N -0.06 6.62 -0.04 1.36 2.47 -0.20 -0.64 114.94 124.45 3k7r s ASN 10 Ca -0.01 0.47 0.04 0.00 0.42 0.00 0.00 52.86 53.79 3k7r s ASN 10 Cb -0.10 -2.44 -0.00 0.00 -1.45 0.00 0.00 41.25 37.26 3k7r s ASN 10 CO 0.01 -0.83 -0.16 -0.69 -3.72 0.00 0.00 177.10 171.72 3k7r s VAL 11 N 3.36 1.32 -0.89 -5.21 1.01 0.03 -1.38 120.40 118.64 3k7r s VAL 11 Ca 0.36 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 3k7r s VAL 11 Cb -0.12 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 3k7r s VAL 11 CO 0.19 0.38 1.68 -0.69 0.00 0.00 0.00 175.10 176.66 3k7r s VAL 12 N 0.07 3.63 -0.26 2.92 1.01 -0.12 -4.56 120.40 123.09 3k7r s VAL 12 Ca -0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 3k7r s VAL 12 Cb -0.11 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.81 3k7r s VAL 12 CO 0.02 -1.40 -0.00 -0.04 0.00 0.00 0.00 175.10 173.68 3k7r s MET 13 N 6.16 3.11 -0.14 2.72 -1.94 -1.26 -4.38 119.30 123.57 3k7r s MET 13 Ca 0.57 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.77 3k7r s MET 13 Cb -0.05 -3.13 -0.23 0.00 2.01 0.00 0.00 34.83 33.42 3k7r s MET 13 CO 0.01 -0.35 0.27 2.41 -0.01 0.00 0.00 175.02 177.35 3k7r n THR 14 N 4.78 1.63 -4.38 2.05 -1.04 -1.26 -4.89 114.28 111.16 3k7r n THR 14 Ca -0.16 -0.70 -0.22 0.00 -2.04 0.00 0.00 64.05 60.93 3k7r n THR 14 Cb 0.49 -1.34 -0.08 0.00 -1.82 0.00 0.00 70.33 67.57 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 -1.37 0.00 -0.08 0.00 3.41 -1.26 -1.60 113.62 112.71 3k7r n SER 16 Ca 0.01 0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.80 3k7r n SER 16 Cb 0.64 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 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 3.55 0.52 0.92 5.00 0.00 -1.97 -1.01 103.07 110.07 3k7r h GLY 17 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3k7r h GLY 17 CO 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 3k7r h SER 19 N -0.14 1.03 -0.40 0.00 4.64 -1.58 -1.98 113.55 115.12 3k7r h SER 19 Ca -0.01 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 3k7r h SER 19 Cb 0.12 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3k7r h SER 19 CO 0.01 0.93 0.14 1.23 -0.87 0.00 0.00 176.83 178.27 3k7r h GLY 20 N 1.11 0.72 0.99 -0.77 0.00 -0.94 0.41 103.07 104.61 3k7r h GLY 20 Ca 0.24 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3k7r h GLY 20 CO -0.02 0.36 0.14 0.00 0.00 0.00 0.00 176.54 177.02 3k7r h ALA 21 N 1.50 0.72 -0.62 3.60 0.00 -0.13 -1.69 119.26 122.65 3k7r h ALA 21 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k7r h ALA 21 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3k7r h ALA 21 CO -0.01 0.41 0.24 0.28 0.00 0.00 0.00 179.25 180.17 3k7r h VAL 22 N 0.77 1.23 -0.51 0.00 2.07 -0.97 -2.78 116.25 116.08 3k7r h VAL 22 Ca 0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3k7r h VAL 22 Cb 0.33 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3k7r h VAL 22 CO 0.00 0.29 0.29 -1.13 0.02 0.00 0.00 177.57 177.04 3k7r h ASN 23 N 0.86 0.62 -0.44 0.57 -1.24 -0.70 -2.81 115.58 112.44 3k7r h ASN 23 Ca 0.20 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 3k7r h ASN 23 Cb 0.22 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3k7r h ASN 23 CO -0.02 0.52 0.28 0.11 -1.29 0.00 0.00 177.43 177.03 3k7r h LYS 24 N 0.67 0.60 -0.60 6.67 1.57 -1.25 -0.25 116.57 123.98 3k7r h LYS 24 Ca 0.18 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3k7r h LYS 24 Cb 0.03 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3k7r h LYS 24 CO -0.03 0.43 0.40 -0.39 -0.57 0.00 0.00 179.45 179.28 3k7r h VAL 25 N 0.59 1.14 0.00 0.50 -1.51 -1.41 -2.50 116.25 113.06 3k7r h VAL 25 Ca 0.16 -0.27 -0.05 0.00 -1.23 0.00 0.00 66.70 65.31 3k7r h VAL 25 Cb -0.02 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.41 3k7r h VAL 25 CO -0.03 0.14 -0.69 -0.07 -1.23 0.00 0.00 177.57 175.70 3k7r h LEU 26 N 0.78 0.00 0.00 4.19 3.38 -1.18 -3.19 115.31 119.30 3k7r h LEU 26 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3k7r h LEU 26 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3k7r h LEU 26 CO -0.05 0.21 -0.28 0.71 0.09 0.00 0.00 178.44 179.12 3k7r h THR 27 N 0.00 0.18 0.00 0.22 1.35 -0.95 -3.06 112.91 110.65 3k7r h THR 27 Ca -0.03 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3k7r h THR 27 Cb 1.19 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3k7r h THR 27 CO 0.02 0.10 0.00 0.29 -0.25 0.00 0.00 175.52 175.69 3k7r n LYS 28 N -3.06 0.20 -0.08 4.72 5.02 -0.95 -2.78 118.16 121.22 3k7r n LYS 28 Ca 0.03 0.13 0.05 0.00 -2.02 0.00 0.00 58.31 56.49 3k7r n LYS 28 Cb 0.58 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.18 2.32 -4.76 -0.35 4.77 -1.16 -4.98 117.00 111.65 3k7r n LEU 29 Ca 0.06 -1.57 -0.38 0.00 -0.03 0.00 0.00 56.01 54.09 3k7r n LEU 29 Cb 0.06 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3k7r n LEU 29 CO 0.07 0.54 0.88 -1.61 -1.33 0.00 0.00 177.39 175.94 3k7r s GLU 30 N -0.89 3.57 0.00 3.23 2.02 -1.12 -1.70 118.70 123.81 3k7r s GLU 30 Ca 0.15 1.94 0.24 0.00 0.02 0.00 0.00 54.97 57.32 3k7r s GLU 30 Cb 0.09 -2.38 0.57 0.00 0.10 0.00 0.00 34.13 32.51 3k7r s GLU 30 CO 0.12 -0.75 1.47 -0.35 0.02 0.00 0.00 175.26 175.77 3k7r n PRO 31 N -0.63 2.08 -0.35 0.39 -0.04 -1.26 -4.84 135.00 130.35 3k7r n PRO 31 Ca 0.08 -1.59 0.10 0.00 -0.04 0.00 0.00 63.50 62.05 3k7r n PRO 31 Cb 0.47 -1.46 0.28 0.00 -0.04 0.00 0.00 33.50 32.74 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 3.57 0.82 -3.54 3.54 3.32 -1.79 -3.27 116.42 119.07 3k7r h ASP 32 Ca 0.00 0.08 -0.62 0.00 0.02 0.00 0.00 57.03 56.51 3k7r h ASP 32 Cb 0.77 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 3k7r h ASP 32 CO 0.00 0.36 0.29 -0.69 -1.72 0.00 0.00 179.24 177.48 3k7r s VAL 33 N -5.91 4.79 -0.02 -1.35 1.01 -0.69 -2.89 120.40 115.34 3k7r s VAL 33 Ca -0.12 0.78 0.05 0.00 0.00 0.00 0.00 61.98 62.69 3k7r s VAL 33 Cb 0.24 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 3k7r s VAL 33 CO 0.80 -0.39 0.74 0.28 0.00 0.00 0.00 175.10 176.54 3k7r h SER 34 N 8.46 0.17 -4.55 3.32 0.02 -0.71 -3.39 113.55 116.87 3k7r h SER 34 Ca -0.25 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.27 3k7r h SER 34 Cb 1.10 -0.05 -0.22 0.00 0.14 0.00 0.00 62.40 63.37 3k7r h SER 34 CO 0.88 1.25 -0.33 -0.75 -1.14 0.00 0.00 176.83 176.74 3k7r s LYS 35 N -2.61 0.53 -0.05 3.45 2.20 -1.20 -5.01 119.74 117.04 3k7r s LYS 35 Ca -0.08 0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 3k7r s LYS 35 Cb 0.08 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 3k7r s LYS 35 CO 0.82 -0.12 0.03 0.42 -0.36 0.00 0.00 175.35 176.14 3k7r s ILE 36 N -0.76 0.11 -0.12 5.43 1.01 -1.26 -1.44 121.20 124.17 3k7r s ILE 36 Ca -0.08 0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.82 3k7r s ILE 36 Cb -0.04 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.15 3k7r s ILE 36 CO 0.02 0.19 -0.13 -1.81 0.00 0.00 0.00 174.94 173.22 3k7r s ASP 37 N 1.79 2.39 -0.09 3.58 1.01 -0.04 -5.00 116.67 120.30 3k7r s ASP 37 Ca 0.01 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 52.89 3k7r s ASP 37 Cb -0.12 -1.03 -0.01 0.00 1.01 0.00 0.00 42.92 42.76 3k7r s ASP 37 CO -0.03 -0.03 -0.17 -0.63 0.21 0.00 0.00 175.17 174.51 3k7r s ILE 38 N 1.26 2.73 -0.28 0.77 1.01 -1.26 0.27 121.20 125.69 3k7r s ILE 38 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3k7r s ILE 38 Cb -0.14 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.32 3k7r s ILE 38 CO -0.05 0.55 -0.06 -0.55 0.00 0.00 0.00 174.94 174.83 3k7r s SER 39 N -0.02 4.48 0.07 3.58 0.15 0.49 -4.98 113.70 117.46 3k7r s SER 39 Ca -0.05 -1.58 -0.27 0.00 0.70 0.00 0.00 55.95 54.75 3k7r s SER 39 Cb -0.14 -1.53 -0.17 0.00 -1.71 0.00 0.00 66.02 62.47 3k7r s SER 39 CO 0.04 -0.24 1.61 0.25 1.20 0.00 0.00 173.24 176.10 3k7r h LEU 40 N 7.75 -0.30 -0.48 3.45 6.46 -1.95 -1.15 115.31 129.08 3k7r h LEU 40 Ca -0.15 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.62 3k7r h LEU 40 Cb 1.04 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.96 3k7r h LEU 40 CO 0.47 -0.15 -0.53 -0.33 -0.62 0.00 0.00 178.44 177.28 3k7r h GLU 41 N -0.43 -0.29 -0.00 1.25 3.07 -1.94 -1.58 114.58 114.66 3k7r h GLU 41 Ca -0.04 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3k7r h GLU 41 Cb 0.33 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3k7r h GLU 41 CO 0.06 -0.19 -0.00 1.63 -1.40 0.00 0.00 179.01 179.10 3k7r n LYS 42 N -5.17 0.53 -2.82 2.33 5.02 -1.22 -4.92 118.16 111.92 3k7r n LYS 42 Ca -0.02 -0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 3k7r n LYS 42 Cb 0.30 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.23 -3.70 -4.69 1.97 1.13 -0.51 -4.97 117.38 105.38 3k7r n GLN 43 Ca 0.16 0.73 -0.28 0.00 -1.94 0.00 0.00 57.00 55.66 3k7r n GLN 43 Cb 0.22 -5.19 -0.14 0.00 0.11 0.00 0.00 30.24 25.24 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 -5.32 2.21 -0.11 1.08 1.43 -0.75 -0.79 118.68 116.43 3k7r s LEU 44 Ca 0.22 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3k7r s LEU 44 Cb -0.10 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.98 3k7r s LEU 44 CO 0.28 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 176.29 3k7r s VAL 45 N -0.89 1.03 -0.16 -1.59 1.01 0.18 -0.38 120.40 119.60 3k7r s VAL 45 Ca 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3k7r s VAL 45 Cb -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3k7r s VAL 45 CO 0.03 0.36 -0.09 -1.81 0.00 0.00 0.00 175.10 173.59 3k7r s ASP 46 N 1.61 4.17 -0.09 3.32 1.01 0.14 -0.90 116.67 125.93 3k7r s ASP 46 Ca 0.03 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 52.99 3k7r s ASP 46 Cb -0.13 -1.67 0.01 0.00 1.01 0.00 0.00 42.92 42.14 3k7r s ASP 46 CO -0.07 0.10 -0.18 -0.69 0.21 0.00 0.00 175.17 174.54 3k7r s VAL 47 N 0.73 1.64 -0.25 -1.27 1.01 0.12 -0.86 120.40 121.51 3k7r s VAL 47 Ca -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3k7r s VAL 47 Cb -0.15 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3k7r s VAL 47 CO 0.02 0.47 -0.01 -0.31 0.00 0.00 0.00 175.10 175.26 3k7r s TYR 48 N 0.63 3.06 0.22 5.22 1.51 -0.52 -1.11 117.35 126.36 3k7r s TYR 48 Ca -0.14 -1.19 -0.22 0.00 -1.01 0.00 0.00 57.07 54.50 3k7r s TYR 48 Cb -0.16 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.60 3k7r s TYR 48 CO 0.04 -0.63 0.72 -0.08 -1.11 0.00 0.00 175.55 174.49 3k7r s THR 49 N 1.42 0.00 -0.30 -0.71 -1.32 -0.25 -0.30 115.64 114.19 3k7r s THR 49 Ca 0.03 -0.64 0.17 0.00 -1.21 0.00 0.00 61.69 60.04 3k7r s THR 49 Cb -0.16 -1.68 -0.24 0.00 -1.51 0.00 0.00 72.50 68.91 3k7r s THR 49 CO -0.02 0.00 0.50 0.35 -2.21 0.00 0.00 174.62 173.24 3k7r n THR 50 N -0.43 0.00 -1.03 5.08 -2.24 -1.14 -0.34 114.28 114.18 3k7r n THR 50 Ca -0.08 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 3k7r n THR 50 Cb 0.61 0.42 0.13 0.00 -2.10 0.00 0.00 70.33 69.39 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 -3.72 3.05 0.50 3.22 1.43 -1.26 -4.94 118.68 116.95 3k7r s LEU 51 Ca -0.02 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.17 3k7r s LEU 51 Cb 0.12 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 3k7r s LEU 51 CO 0.72 -2.70 0.95 -2.84 0.23 0.00 0.00 176.35 172.71 3k7r s PRO 52 N -4.36 3.90 0.14 1.29 0.02 -1.26 -4.92 135.00 129.80 3k7r s PRO 52 Ca 0.70 0.86 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 3k7r s PRO 52 Cb -0.25 -2.18 -0.06 0.00 0.02 0.00 0.00 34.50 32.03 3k7r s PRO 52 CO 0.53 -0.25 1.36 0.98 -0.33 0.00 0.00 177.00 179.29 3k7r n TYR 53 N -1.61 -0.38 0.26 6.54 9.36 -1.26 -2.01 117.16 128.06 3k7r n TYR 53 Ca 0.06 1.09 0.12 0.00 3.32 0.00 0.00 57.90 62.49 3k7r n TYR 53 Cb 0.54 -0.57 0.70 0.00 -0.63 0.00 0.00 39.34 39.38 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 0.00 -0.33 2.98 3.04 -1.99 -1.64 116.42 118.48 3k7r h ASP 54 Ca 0.14 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.86 3k7r h ASP 54 Cb 0.36 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.64 3k7r h ASP 54 CO -0.82 0.13 -0.06 0.15 -2.04 0.00 0.00 179.24 176.60 3k7r h PHE 55 N 0.00 0.70 -0.23 4.15 3.57 -1.78 -1.64 116.94 121.71 3k7r h PHE 55 Ca -0.00 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3k7r h PHE 55 Cb 0.38 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3k7r h PHE 55 CO 0.00 0.78 0.08 0.82 -2.23 0.00 0.00 178.31 177.77 3k7r h ILE 56 N 0.42 1.18 -0.80 1.41 1.08 -1.24 -2.16 117.51 117.40 3k7r h ILE 56 Ca 0.09 -0.57 0.15 0.00 -0.39 0.00 0.00 64.86 64.13 3k7r h ILE 56 Cb 0.54 1.13 -0.09 0.00 -3.07 0.00 0.00 36.82 35.33 3k7r h ILE 56 CO 0.03 0.19 0.37 0.25 -0.69 0.00 0.00 178.15 178.29 3k7r h LEU 57 N 0.21 0.40 -0.33 1.44 5.85 -1.27 -2.14 115.31 119.47 3k7r h LEU 57 Ca 0.08 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 3k7r h LEU 57 Cb 0.21 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3k7r h LEU 57 CO -0.00 0.16 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.77 3k7r h GLU 58 N 0.53 0.69 -0.39 1.25 5.08 -0.92 -0.80 114.58 120.01 3k7r h GLU 58 Ca 0.44 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3k7r h GLU 58 Cb 0.65 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 3k7r h GLU 58 CO -0.39 0.89 0.06 0.87 -1.00 0.00 0.00 179.01 179.44 3k7r h LYS 59 N 0.46 0.17 -0.73 2.33 1.79 -1.06 0.01 116.57 119.53 3k7r h LYS 59 Ca 0.07 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 3k7r h LYS 59 Cb 0.68 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 3k7r h LYS 59 CO 0.05 0.11 0.25 0.82 -1.08 0.00 0.00 179.45 179.60 3k7r h ILE 60 N 0.18 1.26 -0.80 1.86 2.04 -1.13 -2.60 117.51 118.31 3k7r h ILE 60 Ca 0.19 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3k7r h ILE 60 Cb 0.24 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3k7r h ILE 60 CO -0.27 0.34 0.46 0.11 0.00 0.00 0.00 178.15 178.79 3k7r h LYS 61 N 1.08 1.10 -0.00 2.37 1.57 -0.53 -2.27 116.57 119.89 3k7r h LYS 61 Ca 0.24 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3k7r h LYS 61 Cb 0.27 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3k7r h LYS 61 CO -0.01 0.80 0.22 0.87 -0.57 0.00 0.00 179.45 180.75 3k7r h LYS 62 N 1.10 0.00 0.00 3.15 1.57 -0.60 0.24 116.57 122.03 3k7r h LYS 62 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3k7r h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3k7r h LYS 62 CO -0.05 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.62 3k7r h THR 63 N 0.00 0.00 0.00 -0.16 1.35 -1.43 -3.46 112.91 109.21 3k7r h THR 63 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3k7r h THR 63 Cb 0.43 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3k7r h THR 63 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3k7r n GLY 64 N 0.25 1.51 3.74 5.82 0.00 0.85 -5.04 105.19 112.33 3k7r n GLY 64 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.46 4.75 0.17 1.61 -0.14 -1.26 -4.99 119.74 119.42 3k7r s LYS 65 Ca 0.00 1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 55.85 3k7r s LYS 65 Cb 0.00 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.77 3k7r s LYS 65 CO 0.00 0.33 1.32 -2.00 -0.76 0.00 0.00 175.35 174.24 3k7r s GLU 66 N -0.71 4.38 -0.50 1.68 2.12 -1.26 -4.64 118.70 119.76 3k7r s GLU 66 Ca 0.44 2.04 -0.15 0.00 0.36 0.00 0.00 54.97 57.66 3k7r s GLU 66 Cb -0.26 -3.22 0.10 0.00 0.26 0.00 0.00 34.13 31.01 3k7r s GLU 66 CO 0.33 -0.30 0.44 0.08 -0.54 0.00 0.00 175.26 175.27 3k7r s VAL 67 N 0.43 5.18 0.22 3.70 1.01 -1.26 -0.95 120.40 128.73 3k7r s VAL 67 Ca 0.59 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3k7r s VAL 67 Cb -0.36 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 31.88 3k7r s VAL 67 CO 0.35 -0.72 1.68 0.03 0.00 0.00 0.00 175.10 176.44 3k7r h ARG 68 N 8.80 0.87 -2.41 2.72 3.08 -1.60 -3.47 114.38 122.36 3k7r h ARG 68 Ca -0.29 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.42 3k7r h ARG 68 Cb 1.10 -0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.91 3k7r h ARG 68 CO 0.95 0.92 0.15 -1.54 -1.07 0.00 0.00 179.97 179.38 3k7r s SER 69 N -6.67 -0.58 -0.05 7.04 1.04 -1.20 -4.98 113.70 108.30 3k7r s SER 69 Ca -0.10 0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 3k7r s SER 69 Cb 0.14 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.81 3k7r s SER 69 CO 0.83 -0.70 0.18 -0.83 0.98 0.00 0.00 173.24 173.71 3k7r s GLY 70 N -1.69 -0.10 0.07 7.32 0.00 -1.26 -1.03 107.32 110.63 3k7r s GLY 70 Ca -0.07 0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.93 3k7r s GLY 70 CO 0.02 0.27 0.19 -1.59 0.00 0.00 0.00 173.10 171.99 3k7r s LYS 71 N -0.32 0.78 -0.11 2.90 -2.85 0.06 -4.99 119.74 115.20 3k7r s LYS 71 Ca -0.04 -0.84 -0.13 0.00 -1.00 0.00 0.00 55.97 53.95 3k7r s LYS 71 Cb -0.03 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 3k7r s LYS 71 CO 0.01 -0.24 0.32 -1.14 0.10 0.00 0.00 175.35 174.40 3k7r s GLN 72 N -3.36 4.07 0.00 1.78 0.74 -1.26 -1.19 119.66 120.44 3k7r s GLN 72 Ca 0.01 0.17 0.13 0.00 0.05 0.00 0.00 55.36 55.72 3k7r s GLN 72 Cb 0.03 -3.34 0.10 0.00 1.10 0.00 0.00 33.01 30.89 3k7r s GLN 72 CO -0.08 0.42 0.90 1.28 -0.55 0.00 0.00 175.29 177.26