#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7b s PHE 2 N 0.00 2.81 -0.15 1.12 5.36 0.12 -2.82 117.98 124.42 1u7b s PHE 2 Ca 0.00 -0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 55.16 1u7b s PHE 2 Cb 0.00 -1.87 0.07 0.00 -0.34 0.00 0.00 43.02 40.88 1u7b s PHE 2 CO 0.00 -0.31 0.15 -2.00 -1.46 0.00 0.00 175.22 171.60 1u7b s GLU 3 N 0.55 0.09 -0.21 10.12 2.56 0.88 -1.53 118.70 131.15 1u7b s GLU 3 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.09 1u7b s GLU 3 Cb -0.16 -1.16 0.05 0.00 2.00 0.00 0.00 34.13 34.86 1u7b s GLU 3 CO 0.04 -0.56 -0.06 0.00 -0.56 0.00 0.00 175.26 174.12 1u7b s ALA 4 N 2.24 1.85 -0.35 6.30 0.00 -0.33 -0.11 121.76 131.37 1u7b s ALA 4 Ca 0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1u7b s ALA 4 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1u7b s ALA 4 CO -0.09 -1.03 0.17 0.50 0.00 0.00 0.00 175.76 175.31 1u7b s ARG 5 N 1.45 2.98 -0.33 0.00 3.52 0.07 -0.76 118.95 125.90 1u7b s ARG 5 Ca -0.03 -0.96 -0.08 0.00 -0.13 0.00 0.00 55.73 54.52 1u7b s ARG 5 Cb -0.18 -3.63 0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1u7b s ARG 5 CO -0.07 -0.59 0.12 -1.17 -0.81 0.00 0.00 175.30 172.78 1u7b s LEU 6 N 1.56 4.19 0.09 -0.88 2.96 0.10 -0.21 118.68 126.48 1u7b s LEU 6 Ca 0.03 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 52.85 1u7b s LEU 6 Cb -0.18 -1.92 -0.11 0.00 0.50 0.00 0.00 46.19 44.48 1u7b s LEU 6 CO 0.06 -0.27 1.66 0.58 -1.32 0.00 0.00 176.35 177.05 1u7b h VAL 7 N 5.94 1.12 -1.54 1.68 2.07 -1.89 0.41 116.25 124.04 1u7b h VAL 7 Ca -0.28 -0.36 -0.73 0.00 0.82 0.00 0.00 66.70 66.15 1u7b h VAL 7 Cb 1.11 1.10 -0.14 0.00 -1.52 0.00 0.00 31.29 31.84 1u7b h VAL 7 CO 0.62 0.11 1.85 0.00 0.02 0.00 0.00 177.57 180.17 1u7b n GLN 8 N -4.91 3.38 0.12 1.57 6.02 -1.26 -3.96 117.38 118.34 1u7b n GLN 8 Ca -0.05 -3.55 0.18 0.00 -0.01 0.00 0.00 57.00 53.57 1u7b n GLN 8 Cb 0.09 -3.09 0.76 0.00 1.02 0.00 0.00 30.24 29.03 1u7b n GLN 8 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u7b h GLY 9 N 9.54 0.00 0.91 1.08 0.00 -1.47 -1.91 103.07 111.22 1u7b h GLY 9 Ca 0.38 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.87 1u7b h GLY 9 CO 1.46 0.00 0.39 1.48 0.00 0.00 0.00 176.54 179.87 1u7b h SER 10 N 0.00 0.00 -0.27 0.19 4.64 -1.79 -0.57 113.55 115.75 1u7b h SER 10 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1u7b h SER 10 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1u7b h SER 10 CO -0.00 0.00 0.17 0.40 -0.87 0.00 0.00 176.83 176.53 1u7b h ILE 11 N 0.00 1.06 -0.53 0.95 1.08 -1.71 0.75 117.51 119.11 1u7b h ILE 11 Ca 0.25 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.50 1u7b h ILE 11 Cb 1.04 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1u7b h ILE 11 CO -0.00 0.06 -0.08 0.25 -0.69 0.00 0.00 178.15 177.69 1u7b h LEU 12 N 0.35 0.97 -0.51 1.44 5.85 -1.31 -0.66 115.31 121.44 1u7b h LEU 12 Ca 0.10 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1u7b h LEU 12 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1u7b h LEU 12 CO -0.03 1.07 0.30 0.11 -0.34 0.00 0.00 178.44 179.56 1u7b h LYS 13 N 0.88 0.58 -0.42 1.25 1.57 -1.06 -1.53 116.57 117.85 1u7b h LYS 13 Ca 0.14 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1u7b h LYS 13 Cb 0.63 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1u7b h LYS 13 CO 0.04 0.39 -0.17 0.87 -0.57 0.00 0.00 179.45 180.01 1u7b h LYS 14 N 0.60 0.80 0.02 3.15 1.57 -0.55 -1.99 116.57 120.17 1u7b h LYS 14 Ca 0.21 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1u7b h LYS 14 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1u7b h LYS 14 CO -0.10 0.91 -0.01 0.28 -0.57 0.00 0.00 179.45 179.96 1u7b h VAL 15 N 0.71 1.03 -0.69 0.50 2.07 -0.67 -0.92 116.25 118.29 1u7b h VAL 15 Ca 0.11 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1u7b h VAL 15 Cb 0.67 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1u7b h VAL 15 CO 0.05 0.04 0.34 -0.07 0.02 0.00 0.00 177.57 177.95 1u7b h LEU 16 N -0.10 0.87 -1.27 2.57 -0.00 -1.22 -0.78 115.31 115.39 1u7b h LEU 16 Ca -0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 1u7b h LEU 16 Cb 0.09 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 1u7b h LEU 16 CO 0.01 0.73 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.84 1u7b h GLU 17 N 0.97 0.48 0.00 1.13 4.39 -1.11 0.35 114.58 120.80 1u7b h GLU 17 Ca 0.24 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1u7b h GLU 17 Cb 0.08 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1u7b h GLU 17 CO -0.03 0.52 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 1u7b h ALA 18 N 1.53 1.00 0.00 3.43 0.00 -0.02 -3.37 119.26 121.83 1u7b h ALA 18 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.63 1u7b h ALA 18 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1u7b h ALA 18 CO 0.01 0.00 -2.09 1.28 0.00 0.00 0.00 179.25 178.45 1u7b n LEU 19 N -2.61 1.93 -0.32 0.00 4.77 -0.41 -4.59 117.00 115.77 1u7b n LEU 19 Ca 0.05 0.36 0.25 0.00 -0.03 0.00 0.00 56.01 56.64 1u7b n LEU 19 Cb 0.46 -0.87 0.55 0.00 -2.33 0.00 0.00 43.42 41.23 1u7b n LEU 19 CO 0.31 0.48 1.23 0.07 -1.33 0.00 0.00 177.39 178.16 1u7b h LYS 20 N -0.99 0.30 0.00 3.23 2.10 -1.07 0.01 116.57 120.16 1u7b h LYS 20 Ca -0.58 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 57.97 1u7b h LYS 20 Cb 1.51 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.76 1u7b h LYS 20 CO -0.35 0.20 -0.40 0.38 -2.00 0.00 0.00 179.45 177.28 1u7b h ASP 21 N 0.31 0.00 0.07 7.07 2.03 -1.82 -3.33 116.42 120.76 1u7b h ASP 21 Ca 0.59 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.55 1u7b h ASP 21 Cb 1.66 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.13 1u7b h ASP 21 CO -0.25 0.40 -1.93 -0.11 -1.03 0.00 0.00 179.24 176.33 1u7b n LEU 22 N -3.46 2.46 -4.05 0.15 7.94 -0.16 -4.97 117.00 114.91 1u7b n LEU 22 Ca 0.00 0.22 -0.15 0.00 -1.11 0.00 0.00 56.01 54.97 1u7b n LEU 22 Cb 0.56 -1.04 -0.13 0.00 0.53 0.00 0.00 43.42 43.34 1u7b n LEU 22 CO 0.37 0.72 -0.41 0.27 -1.11 0.00 0.00 177.39 177.23 1u7b s ILE 23 N -2.51 0.61 -0.15 1.96 -4.36 -0.34 -4.68 121.20 111.73 1u7b s ILE 23 Ca -0.27 -0.80 0.22 0.00 -0.26 0.00 0.00 60.65 59.54 1u7b s ILE 23 Cb 0.07 -0.61 -0.26 0.00 1.25 0.00 0.00 42.46 42.91 1u7b s ILE 23 CO 0.69 -0.15 0.63 -0.46 0.24 0.00 0.00 174.94 175.88 1u7b n ASN 24 N 2.00 0.23 -3.85 4.36 6.94 -1.26 -3.92 115.26 119.76 1u7b n ASN 24 Ca -0.19 -0.01 -0.12 0.00 -0.02 0.00 0.00 54.58 54.25 1u7b n ASN 24 Cb 0.56 1.62 -0.10 0.00 -2.36 0.00 0.00 39.78 39.49 1u7b n ASN 24 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1u7b s GLU 25 N -3.45 0.44 0.03 -3.83 1.03 -1.26 -0.08 118.70 111.58 1u7b s GLU 25 Ca -0.05 -0.24 -0.27 0.00 0.03 0.00 0.00 54.97 54.44 1u7b s GLU 25 Cb 0.13 0.19 0.09 0.00 -0.80 0.00 0.00 34.13 33.75 1u7b s GLU 25 CO 0.88 -0.10 0.81 0.00 -1.33 0.00 0.00 175.26 175.52 1u7b s ALA 26 N -1.05 -1.77 -0.22 -0.84 0.00 -0.52 -4.91 121.76 112.45 1u7b s ALA 26 Ca -0.11 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1u7b s ALA 26 Cb -0.06 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1u7b s ALA 26 CO 0.02 -0.68 0.22 0.00 0.00 0.00 0.00 175.76 175.32 1u7b s TRP 28 N 0.95 3.13 -0.32 0.00 0.52 0.38 -4.30 118.94 119.30 1u7b s TRP 28 Ca 0.11 -0.59 -0.25 0.00 0.02 0.00 0.00 56.10 55.39 1u7b s TRP 28 Cb -0.13 -3.28 0.01 0.00 -1.15 0.00 0.00 33.47 28.91 1u7b s TRP 28 CO 0.04 -0.89 0.89 -0.51 0.02 0.00 0.00 176.95 176.51 1u7b s ASP 29 N 2.44 6.74 -0.04 2.95 1.01 0.75 -1.48 116.67 129.04 1u7b s ASP 29 Ca 0.12 0.74 0.02 0.00 0.71 0.00 0.00 52.55 54.13 1u7b s ASP 29 Cb -0.20 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1u7b s ASP 29 CO 0.11 -0.74 -0.08 -0.63 0.21 0.00 0.00 175.17 174.05 1u7b s ILE 30 N 3.25 3.62 0.36 0.77 -1.09 0.26 -0.81 121.20 127.55 1u7b s ILE 30 Ca 0.37 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 1u7b s ILE 30 Cb -0.13 -2.50 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1u7b s ILE 30 CO 0.15 0.53 0.68 -0.94 -1.23 0.00 0.00 174.94 174.13 1u7b s SER 31 N -0.99 0.29 0.55 3.58 1.04 -0.78 0.02 113.70 117.41 1u7b s SER 31 Ca 0.14 -1.23 0.24 0.00 0.48 0.00 0.00 55.95 55.57 1u7b s SER 31 Cb -0.11 0.78 1.46 0.00 0.10 0.00 0.00 66.02 68.25 1u7b s SER 31 CO 0.03 -1.54 2.09 0.28 0.98 0.00 0.00 173.24 175.09 1u7b h SER 32 N 2.04 0.00 1.59 7.02 0.02 -1.87 -1.88 113.55 120.47 1u7b h SER 32 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1u7b h SER 32 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1u7b h SER 32 CO 0.39 0.00 -0.22 0.77 -1.14 0.00 0.00 176.83 176.63 1u7b h SER 33 N 0.00 0.00 0.00 3.07 4.64 -1.95 -3.44 113.55 115.86 1u7b h SER 33 Ca 0.11 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1u7b h SER 33 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1u7b h SER 33 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1u7b n GLY 34 N 1.19 0.70 3.47 -0.77 0.00 -0.71 -1.04 105.19 108.04 1u7b n GLY 34 Ca 0.04 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1u7b n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7b s VAL 35 N -3.25 3.51 -0.04 1.61 1.01 0.33 -1.87 120.40 121.71 1u7b s VAL 35 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1u7b s VAL 35 Cb 0.00 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1u7b s VAL 35 CO 0.00 0.53 -0.16 0.20 0.00 0.00 0.00 175.10 175.67 1u7b s ASN 36 N 0.03 2.03 -0.03 3.32 0.01 0.01 -1.31 114.94 119.01 1u7b s ASN 36 Ca -0.02 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1u7b s ASN 36 Cb -0.14 -0.50 0.02 0.00 0.41 0.00 0.00 41.25 41.04 1u7b s ASN 36 CO 0.03 0.15 0.06 -0.22 -1.51 0.00 0.00 177.10 175.62 1u7b s LEU 37 N -0.02 1.35 -0.13 0.60 0.20 -0.57 -0.18 118.68 119.93 1u7b s LEU 37 Ca -0.02 0.11 -0.09 0.00 0.69 0.00 0.00 54.13 54.82 1u7b s LEU 37 Cb -0.10 0.11 0.04 0.00 -0.43 0.00 0.00 46.19 45.80 1u7b s LEU 37 CO 0.01 -0.08 0.32 -1.58 -0.29 0.00 0.00 176.35 174.74 1u7b s GLN 38 N 0.63 0.34 -0.26 1.98 0.74 -1.26 0.50 119.66 122.32 1u7b s GLN 38 Ca -0.05 0.55 -0.26 0.00 0.05 0.00 0.00 55.36 55.65 1u7b s GLN 38 Cb -0.07 0.06 0.14 0.00 1.10 0.00 0.00 33.01 34.23 1u7b s GLN 38 CO -0.02 -0.10 1.11 0.45 -0.55 0.00 0.00 175.29 176.18 1u7b s SER 39 N 0.74 -0.35 0.24 6.67 0.15 -0.69 -4.67 113.70 115.79 1u7b s SER 39 Ca -0.05 0.62 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1u7b s SER 39 Cb -0.06 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1u7b s SER 39 CO -0.05 -0.15 0.43 -0.04 1.20 0.00 0.00 173.24 174.62 1u7b s MET 40 N -0.08 3.52 0.85 5.44 -1.94 -1.26 -1.34 119.30 124.49 1u7b s MET 40 Ca 0.03 -0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 53.54 1u7b s MET 40 Cb -0.04 -2.80 0.10 0.00 2.01 0.00 0.00 34.83 34.10 1u7b s MET 40 CO -0.07 0.35 1.15 0.16 -0.01 0.00 0.00 175.02 176.60 1u7b s ASP 41 N -3.38 4.08 0.37 3.03 -4.77 -0.86 -4.88 116.67 110.26 1u7b s ASP 41 Ca 0.39 0.94 0.13 0.00 -3.30 0.00 0.00 52.55 50.71 1u7b s ASP 41 Cb -0.11 -1.52 0.94 0.00 -1.09 0.00 0.00 42.92 41.15 1u7b s ASP 41 CO 0.30 -2.19 1.82 0.77 0.70 0.00 0.00 175.17 176.57 1u7b h SER 42 N -1.25 0.57 0.34 2.11 4.64 -1.92 -0.17 113.55 117.86 1u7b h SER 42 Ca -0.48 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1u7b h SER 42 Cb 1.32 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1u7b h SER 42 CO 0.63 0.22 -0.03 -1.54 -0.87 0.00 0.00 176.83 175.24 1u7b n SER 43 N -4.61 0.18 -1.82 4.97 3.41 -1.26 -4.90 113.62 109.59 1u7b n SER 43 Ca 0.21 -0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 58.10 1u7b n SER 43 Cb 0.65 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1u7b n SER 43 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u7b n HIS 44 N -1.07 -0.47 0.03 7.33 8.25 -0.08 -4.83 115.22 124.38 1u7b n HIS 44 Ca 0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1u7b n HIS 44 Cb 0.22 -3.31 -0.13 0.00 1.12 0.00 0.00 29.99 27.89 1u7b n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u7b h VAL 45 N 0.00 1.38 -3.71 1.59 2.07 -1.91 -3.47 116.25 112.20 1u7b h VAL 45 Ca -0.39 -3.14 -0.26 0.00 0.82 0.00 0.00 66.70 63.72 1u7b h VAL 45 Cb 1.23 2.69 -0.15 0.00 -1.52 0.00 0.00 31.29 33.54 1u7b h VAL 45 CO 0.53 0.79 -0.69 -0.94 0.02 0.00 0.00 177.57 177.28 1u7b s SER 46 N -6.48 1.30 -0.00 0.57 1.04 -1.26 -1.22 113.70 107.64 1u7b s SER 46 Ca -0.01 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1u7b s SER 46 Cb 0.09 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1u7b s SER 46 CO 0.82 -0.47 -0.00 -0.22 0.98 0.00 0.00 173.24 174.35 1u7b s LEU 47 N -3.11 1.98 0.01 2.42 2.96 -0.66 -2.02 118.68 120.27 1u7b s LEU 47 Ca 0.16 -0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 1u7b s LEU 47 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 1u7b s LEU 47 CO -0.01 0.00 -0.26 0.54 -1.32 0.00 0.00 176.35 175.30 1u7b s VAL 48 N 0.01 2.07 -0.07 1.68 0.11 -0.45 -0.49 120.40 123.26 1u7b s VAL 48 Ca -0.00 -1.23 -0.00 0.00 -2.93 0.00 0.00 61.98 57.81 1u7b s VAL 48 Cb -0.00 -1.74 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1u7b s VAL 48 CO -0.00 0.47 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.63 1u7b s GLN 49 N -0.91 0.85 -0.05 1.54 -0.44 0.22 -1.70 119.66 119.16 1u7b s GLN 49 Ca 0.11 -0.02 0.05 0.00 -2.50 0.00 0.00 55.36 53.00 1u7b s GLN 49 Cb -0.10 -1.05 -0.02 0.00 -1.64 0.00 0.00 33.01 30.20 1u7b s GLN 49 CO 0.00 -0.23 -0.20 -1.17 0.50 0.00 0.00 175.29 174.19 1u7b s LEU 50 N 1.62 2.37 -0.08 3.68 2.96 0.18 -0.64 118.68 128.77 1u7b s LEU 50 Ca 0.00 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1u7b s LEU 50 Cb -0.13 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.13 1u7b s LEU 50 CO -0.04 0.29 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.30 1u7b s THR 51 N -0.43 1.03 -0.33 3.68 2.01 -0.30 -1.51 115.64 119.80 1u7b s THR 51 Ca 0.05 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1u7b s THR 51 Cb -0.12 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.50 1u7b s THR 51 CO 0.02 0.35 0.13 -0.76 -0.69 0.00 0.00 174.62 173.67 1u7b s LEU 52 N 1.16 2.05 0.49 4.42 1.43 -0.43 -1.90 118.68 125.90 1u7b s LEU 52 Ca -0.05 -1.80 -0.23 0.00 -1.03 0.00 0.00 54.13 51.02 1u7b s LEU 52 Cb -0.14 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1u7b s LEU 52 CO -0.02 -0.39 1.27 -0.13 0.23 0.00 0.00 176.35 177.31 1u7b s ARG 53 N 1.43 3.54 0.36 1.70 0.52 0.96 -0.51 118.95 126.94 1u7b s ARG 53 Ca 0.12 2.03 0.06 0.00 -0.52 0.00 0.00 55.73 57.41 1u7b s ARG 53 Cb -0.19 -2.40 0.74 0.00 0.52 0.00 0.00 34.95 33.62 1u7b s ARG 53 CO -0.20 -0.81 1.95 0.66 0.02 0.00 0.00 175.30 176.92 1u7b h SER 54 N 1.90 0.67 -0.30 0.23 4.64 -1.38 -1.17 113.55 118.15 1u7b h SER 54 Ca -0.50 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 60.91 1u7b h SER 54 Cb 1.27 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1u7b h SER 54 CO 0.59 0.43 0.30 -0.33 -0.87 0.00 0.00 176.83 176.95 1u7b h GLU 55 N 0.76 0.00 0.00 4.77 3.07 -1.92 -1.06 114.58 120.20 1u7b h GLU 55 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1u7b h GLU 55 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1u7b h GLU 55 CO -0.11 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.91 1u7b n GLY 56 N -1.46 -1.41 3.91 -3.84 0.00 -0.44 -4.82 105.19 97.12 1u7b n GLY 56 Ca 0.04 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1u7b n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u7b s PHE 57 N -3.08 3.52 0.12 1.61 0.40 -0.40 -4.87 117.98 115.27 1u7b s PHE 57 Ca 0.10 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.64 1u7b s PHE 57 Cb 0.13 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.73 1u7b s PHE 57 CO 0.47 0.56 1.73 0.22 0.70 0.00 0.00 175.22 178.90 1u7b h ASP 58 N 3.31 0.29 -3.88 1.36 3.58 -0.89 -3.42 116.42 116.76 1u7b h ASP 58 Ca -0.47 -0.06 -0.45 0.00 0.42 0.00 0.00 57.03 56.47 1u7b h ASP 58 Cb 1.17 -0.07 -0.31 0.00 1.72 0.00 0.00 39.33 41.84 1u7b h ASP 58 CO 0.72 0.27 -0.80 -0.89 -2.88 0.00 0.00 179.24 175.66 1u7b s THR 59 N -5.95 0.91 -0.09 2.25 2.01 -1.19 -5.00 115.64 108.56 1u7b s THR 59 Ca -0.13 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 1u7b s THR 59 Cb 0.08 -0.80 0.05 0.00 0.01 0.00 0.00 72.50 71.85 1u7b s THR 59 CO 0.70 0.27 0.20 -0.47 -0.69 0.00 0.00 174.62 174.64 1u7b s TYR 60 N 0.09 -0.27 -0.05 4.92 5.04 -1.25 -0.75 117.35 125.09 1u7b s TYR 60 Ca -0.02 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1u7b s TYR 60 Cb -0.08 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.16 1u7b s TYR 60 CO 0.01 -0.26 0.11 0.50 -1.34 0.00 0.00 175.55 174.57 1u7b s ARG 61 N 1.81 0.06 -0.43 4.97 3.52 0.84 -4.98 118.95 124.73 1u7b s ARG 61 Ca -0.03 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.91 1u7b s ARG 61 Cb -0.12 -0.15 0.18 0.00 -1.56 0.00 0.00 34.95 33.30 1u7b s ARG 61 CO -0.07 -0.14 0.57 0.00 -0.81 0.00 0.00 175.30 174.86 1u7b h ASP 63 N 6.40 0.80 -4.92 0.00 3.32 -1.92 -3.33 116.42 116.77 1u7b h ASP 63 Ca 0.07 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 1u7b h ASP 63 Cb 1.11 -0.09 -0.15 0.00 0.22 0.00 0.00 39.33 40.43 1u7b h ASP 63 CO 0.12 0.37 -0.68 -0.13 -1.72 0.00 0.00 179.24 177.20 1u7b s ARG 64 N -5.84 0.84 0.32 3.56 3.00 -1.26 -4.96 118.95 114.60 1u7b s ARG 64 Ca -0.11 -1.36 -0.29 0.00 0.00 0.00 0.00 55.73 53.97 1u7b s ARG 64 Cb 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 34.95 35.06 1u7b s ARG 64 CO 0.80 -0.11 1.41 -0.80 0.00 0.00 0.00 175.30 176.61 1u7b s ASN 65 N -3.03 6.59 0.03 0.23 0.02 -1.26 -4.64 114.94 112.89 1u7b s ASN 65 Ca 0.15 2.80 0.01 0.00 -1.02 0.00 0.00 52.86 54.80 1u7b s ASN 65 Cb 0.07 -2.65 -0.02 0.00 0.02 0.00 0.00 41.25 38.67 1u7b s ASN 65 CO -0.04 -0.70 -0.06 -0.76 0.02 0.00 0.00 177.10 175.57 1u7b s LEU 66 N -1.40 2.26 -0.42 0.60 1.43 0.10 -4.98 118.68 116.27 1u7b s LEU 66 Ca 0.54 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1u7b s LEU 66 Cb -0.43 -0.06 0.14 0.00 0.03 0.00 0.00 46.19 45.87 1u7b s LEU 66 CO 0.53 -0.25 0.23 0.00 0.23 0.00 0.00 176.35 177.09 1u7b s ALA 67 N -1.47 1.89 -0.25 4.21 0.00 -1.26 0.89 121.76 125.76 1u7b s ALA 67 Ca -0.12 -2.43 -0.23 0.00 0.00 0.00 0.00 51.96 49.18 1u7b s ALA 67 Cb -0.10 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1u7b s ALA 67 CO -0.00 -2.07 0.75 -1.64 0.00 0.00 0.00 175.76 172.80 1u7b s MET 68 N 0.52 4.14 -0.18 0.00 -1.94 -0.55 -4.84 119.30 116.46 1u7b s MET 68 Ca 0.18 0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 54.64 1u7b s MET 68 Cb -0.24 -3.65 0.00 0.00 2.01 0.00 0.00 34.83 32.95 1u7b s MET 68 CO 0.00 -0.49 1.03 0.20 -0.01 0.00 0.00 175.02 175.76 1u7b s GLY 69 N 1.41 1.94 -0.01 -0.03 0.00 -1.21 -0.47 107.32 108.95 1u7b s GLY 69 Ca 0.31 0.25 0.05 0.00 0.00 0.00 0.00 44.72 45.33 1u7b s GLY 69 CO 0.08 2.09 -0.15 0.14 0.00 0.00 0.00 173.10 175.26 1u7b s VAL 70 N 2.77 1.21 -0.57 1.40 1.01 0.01 -0.67 120.40 125.57 1u7b s VAL 70 Ca 0.46 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1u7b s VAL 70 Cb -0.16 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1u7b s VAL 70 CO 0.10 0.31 0.95 0.21 0.00 0.00 0.00 175.10 176.68 1u7b s ASN 71 N -0.44 6.31 0.42 3.32 3.84 -1.26 -1.44 114.94 125.70 1u7b s ASN 71 Ca 0.06 -0.46 0.15 0.00 0.21 0.00 0.00 52.86 52.82 1u7b s ASN 71 Cb -0.06 -2.43 0.93 0.00 -0.55 0.00 0.00 41.25 39.13 1u7b s ASN 71 CO -0.00 -1.27 1.93 -0.07 -2.79 0.00 0.00 177.10 174.90 1u7b h LEU 72 N 11.06 0.00 -0.45 3.21 3.38 -0.81 -0.41 115.31 131.29 1u7b h LEU 72 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1u7b h LEU 72 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1u7b h LEU 72 CO 1.10 0.26 0.03 0.74 0.09 0.00 0.00 178.44 180.66 1u7b h THR 73 N 0.00 1.26 -0.27 0.22 2.02 -1.84 -0.14 112.91 114.16 1u7b h THR 73 Ca -0.00 -0.99 -0.19 0.00 0.77 0.00 0.00 66.41 66.00 1u7b h THR 73 Cb 0.47 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1u7b h THR 73 CO 0.03 0.34 -0.57 0.28 0.37 0.00 0.00 175.52 175.98 1u7b h SER 74 N 0.63 0.95 -0.65 4.18 0.02 -1.78 -2.50 113.55 114.40 1u7b h SER 74 Ca 0.13 -0.52 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1u7b h SER 74 Cb 0.46 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1u7b h SER 74 CO 0.02 1.31 0.20 -0.03 -1.14 0.00 0.00 176.83 177.19 1u7b h MET 75 N 0.64 1.01 -0.66 3.45 -1.53 -0.93 -1.97 114.93 114.95 1u7b h MET 75 Ca 0.01 -0.22 -0.07 0.00 -3.44 0.00 0.00 59.70 55.98 1u7b h MET 75 Cb 1.18 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 32.05 1u7b h MET 75 CO 0.12 0.89 0.15 1.03 0.14 0.00 0.00 176.91 179.24 1u7b h SER 76 N 0.94 0.99 -0.85 1.39 0.87 -1.00 -0.68 113.55 115.21 1u7b h SER 76 Ca 0.21 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1u7b h SER 76 Cb 0.30 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1u7b h SER 76 CO -0.01 0.96 0.42 0.11 -0.53 0.00 0.00 176.83 177.79 1u7b h LYS 77 N 0.99 1.21 -0.23 2.24 1.57 -1.13 -1.92 116.57 119.31 1u7b h LYS 77 Ca 0.21 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1u7b h LYS 77 Cb 0.37 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1u7b h LYS 77 CO 0.00 0.92 -0.47 0.82 -0.57 0.00 0.00 179.45 180.16 1u7b h ILE 78 N 1.21 1.31 0.00 1.86 1.08 -1.00 -2.69 117.51 119.28 1u7b h ILE 78 Ca 0.29 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1u7b h ILE 78 Cb 0.10 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1u7b h ILE 78 CO -0.04 0.53 0.00 -0.07 -0.69 0.00 0.00 178.15 177.88 1u7b h LEU 79 N 0.47 0.00 -1.37 1.44 3.38 -0.60 -1.04 115.31 117.59 1u7b h LEU 79 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1u7b h LEU 79 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1u7b h LEU 79 CO 0.09 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.73 1u7b h LYS 80 N 0.00 0.00 -0.12 1.13 1.79 -1.01 -2.12 116.57 116.25 1u7b h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1u7b h LYS 80 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1u7b h LYS 80 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1u7b s ALA 82 N -1.85 3.40 0.78 0.00 0.00 -0.80 -5.06 121.76 118.23 1u7b s ALA 82 Ca 0.30 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 1u7b s ALA 82 Cb 0.15 -1.73 0.06 0.00 0.00 0.00 0.00 23.12 21.60 1u7b s ALA 82 CO 0.24 0.41 1.08 0.20 0.00 0.00 0.00 175.76 177.69 1u7b s GLY 83 N -0.32 1.65 0.00 0.00 0.00 -1.26 -4.91 107.32 102.48 1u7b s GLY 83 Ca 0.08 0.09 0.19 0.00 0.00 0.00 0.00 44.72 45.07 1u7b s GLY 83 CO 0.02 0.46 1.60 0.70 0.00 0.00 0.00 173.10 175.88 1u7b n ASN 84 N -3.48 0.00 -0.37 1.64 3.02 -1.26 -2.35 115.26 112.46 1u7b n ASN 84 Ca 0.08 0.42 0.04 0.00 -0.03 0.00 0.00 54.58 55.09 1u7b n ASN 84 Cb 0.54 -0.46 0.11 0.00 -0.61 0.00 0.00 39.78 39.36 1u7b n ASN 84 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1u7b n GLU 85 N -1.46 2.73 -2.68 3.52 4.07 -1.26 -4.01 120.64 121.55 1u7b n GLU 85 Ca 0.05 -2.02 -0.35 0.00 -0.06 0.00 0.00 57.16 54.78 1u7b n GLU 85 Cb 0.21 -1.28 -0.05 0.00 -0.06 0.00 0.00 31.44 30.26 1u7b n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1u7b s ASP 86 N -1.36 6.88 -0.08 4.31 1.11 -0.99 -4.31 116.67 122.24 1u7b s ASP 86 Ca 0.18 1.88 -0.20 0.00 0.18 0.00 0.00 52.55 54.59 1u7b s ASP 86 Cb 0.13 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.51 1u7b s ASP 86 CO 0.07 -0.40 0.58 -0.63 1.18 0.00 0.00 175.17 175.98 1u7b s ILE 87 N -1.84 5.08 -0.11 0.77 1.01 -0.64 -2.14 121.20 123.34 1u7b s ILE 87 Ca 0.59 1.19 0.02 0.00 0.00 0.00 0.00 60.65 62.44 1u7b s ILE 87 Cb -0.17 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1u7b s ILE 87 CO 0.22 0.32 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 1u7b s ILE 88 N 0.51 2.74 -0.08 2.92 1.01 0.13 -0.72 121.20 127.71 1u7b s ILE 88 Ca 0.31 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1u7b s ILE 88 Cb -0.17 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 1u7b s ILE 88 CO 0.14 0.54 -0.24 -0.89 0.00 0.00 0.00 174.94 174.50 1u7b s THR 89 N 0.22 2.02 -0.15 2.92 2.01 0.38 0.01 115.64 123.05 1u7b s THR 89 Ca -0.11 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.83 1u7b s THR 89 Cb -0.16 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1u7b s THR 89 CO 0.06 0.56 0.03 -0.76 -0.69 0.00 0.00 174.62 173.81 1u7b s LEU 90 N 0.15 3.64 -0.00 4.42 1.43 0.06 -0.15 118.68 128.24 1u7b s LEU 90 Ca -0.13 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1u7b s LEU 90 Cb -0.16 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1u7b s LEU 90 CO 0.07 0.23 -0.00 -0.60 0.23 0.00 0.00 176.35 176.28 1u7b s ARG 91 N 0.02 0.05 -0.06 1.70 3.52 0.05 -1.18 118.95 123.04 1u7b s ARG 91 Ca 0.04 0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.46 1u7b s ARG 91 Cb -0.13 -0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1u7b s ARG 91 CO 0.01 -0.01 0.44 0.00 -0.81 0.00 0.00 175.30 174.93 1u7b s ALA 92 N 0.15 -1.11 0.70 6.12 0.00 -0.58 -0.89 121.76 126.16 1u7b s ALA 92 Ca -0.01 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 1u7b s ALA 92 Cb -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1u7b s ALA 92 CO -0.00 -0.28 1.05 -1.21 0.00 0.00 0.00 175.76 175.32 1u7b s GLU 93 N -0.90 2.52 0.01 0.00 0.41 -1.26 0.13 118.70 119.61 1u7b s GLU 93 Ca -0.10 0.10 -0.04 0.00 -0.41 0.00 0.00 54.97 54.53 1u7b s GLU 93 Cb -0.03 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.20 1u7b s GLU 93 CO 0.05 -1.12 1.06 0.22 -0.49 0.00 0.00 175.26 174.97 1u7b h ASP 94 N -0.61 -0.21 -1.95 -0.19 1.82 -1.99 -2.25 116.42 111.05 1u7b h ASP 94 Ca -0.45 0.03 -0.79 0.00 -0.39 0.00 0.00 57.03 55.43 1u7b h ASP 94 Cb 1.29 0.09 -0.22 0.00 0.68 0.00 0.00 39.33 41.16 1u7b h ASP 94 CO 0.63 -0.04 1.46 0.59 -1.61 0.00 0.00 179.24 180.27 1u7b n ASN 95 N -3.06 7.40 -4.74 2.28 3.02 -1.26 -4.91 115.26 113.99 1u7b n ASN 95 Ca -0.00 -3.48 -0.41 0.00 -0.03 0.00 0.00 54.58 50.65 1u7b n ASN 95 Cb 0.04 -1.25 -0.02 0.00 -0.61 0.00 0.00 39.78 37.94 1u7b n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u7b s ALA 96 N -3.09 3.67 0.00 5.41 0.00 -0.85 -4.90 121.76 122.01 1u7b s ALA 96 Ca 0.43 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1u7b s ALA 96 Cb 0.17 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1u7b s ALA 96 CO -0.09 -0.82 0.67 -3.47 0.00 0.00 0.00 175.76 172.05 1u7b n ASP 97 N 2.37 1.33 -3.82 0.00 2.03 -1.26 -4.94 116.55 112.27 1u7b n ASP 97 Ca 0.08 -1.36 -0.12 0.00 0.52 0.00 0.00 54.79 53.90 1u7b n ASP 97 Cb 0.39 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 1u7b n ASP 97 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1u7b s THR 98 N -0.36 0.07 -0.10 5.18 -4.23 -1.26 -0.88 115.64 114.05 1u7b s THR 98 Ca 0.00 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1u7b s THR 98 Cb 0.00 -0.52 -0.00 0.00 1.34 0.00 0.00 72.50 73.32 1u7b s THR 98 CO 0.00 -0.32 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.32 1u7b s LEU 99 N -1.35 2.23 -0.13 4.79 2.96 0.43 -4.63 118.68 122.98 1u7b s LEU 99 Ca -0.14 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 1u7b s LEU 99 Cb -0.06 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1u7b s LEU 99 CO 0.03 0.17 0.07 0.00 -1.32 0.00 0.00 176.35 175.30 1u7b s ALA 100 N 0.28 3.52 -0.14 5.97 0.00 -0.06 -1.16 121.76 130.16 1u7b s ALA 100 Ca -0.15 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1u7b s ALA 100 Cb -0.17 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1u7b s ALA 100 CO 0.08 0.46 -0.18 -0.51 0.00 0.00 0.00 175.76 175.60 1u7b s LEU 101 N -0.50 1.92 -0.16 0.00 1.02 0.19 -0.77 118.68 120.37 1u7b s LEU 101 Ca 0.10 -0.54 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1u7b s LEU 101 Cb -0.12 -1.30 -0.01 0.00 0.02 0.00 0.00 46.19 44.79 1u7b s LEU 101 CO 0.02 0.02 -0.11 -0.69 0.02 0.00 0.00 176.35 175.61 1u7b s VAL 102 N 1.09 3.04 -0.21 -1.59 1.01 0.79 -0.15 120.40 124.38 1u7b s VAL 102 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1u7b s VAL 102 Cb -0.14 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 1u7b s VAL 102 CO -0.06 0.50 -0.08 -0.36 0.00 0.00 0.00 175.10 175.11 1u7b s PHE 103 N 0.75 2.92 -0.34 5.22 0.08 -0.07 -0.47 117.98 126.07 1u7b s PHE 103 Ca -0.05 -1.05 -0.10 0.00 0.12 0.00 0.00 56.93 55.85 1u7b s PHE 103 Cb -0.15 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1u7b s PHE 103 CO 0.01 -0.58 0.18 -1.21 -0.10 0.00 0.00 175.22 173.52 1u7b s GLU 104 N 1.38 3.07 0.56 0.44 2.02 0.10 -0.81 118.70 125.47 1u7b s GLU 104 Ca 0.05 -0.90 -0.20 0.00 0.02 0.00 0.00 54.97 53.94 1u7b s GLU 104 Cb -0.14 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 1u7b s GLU 104 CO -0.05 -0.56 1.19 0.00 0.02 0.00 0.00 175.26 175.86 1u7b s ALA 105 N 1.58 2.65 -1.06 5.21 0.00 -0.70 -1.61 121.76 127.83 1u7b s ALA 105 Ca 0.03 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1u7b s ALA 105 Cb -0.18 -3.42 0.31 0.00 0.00 0.00 0.00 23.12 19.83 1u7b s ALA 105 CO 0.06 -1.00 1.21 -0.35 0.00 0.00 0.00 175.76 175.68 1u7b n PRO 106 N -1.36 0.01 0.02 0.00 -0.04 -1.26 -1.87 135.00 130.50 1u7b n PRO 106 Ca 0.12 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1u7b n PRO 106 Cb 0.50 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 1u7b n PRO 106 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1u7b n ASN 107 N -1.47 0.43 0.00 3.54 0.23 -1.26 -4.94 115.26 111.78 1u7b n ASN 107 Ca 0.02 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1u7b n ASN 107 Cb 0.08 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1u7b n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u7b n GLN 108 N -1.65 -1.14 0.00 -3.83 1.13 -0.78 -4.74 117.38 106.36 1u7b n GLN 108 Ca 0.05 0.29 0.06 0.00 -1.94 0.00 0.00 57.00 55.46 1u7b n GLN 108 Cb 0.36 -4.48 -0.07 0.00 0.11 0.00 0.00 30.24 26.16 1u7b n GLN 108 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1u7b n GLU 109 N -0.42 2.61 -4.63 -1.09 -0.00 -1.26 -4.94 120.64 110.91 1u7b n GLU 109 Ca 0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 57.16 56.85 1u7b n GLU 109 Cb 0.29 -1.12 -0.17 0.00 -0.00 0.00 0.00 31.44 30.43 1u7b n GLU 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1u7b s LYS 110 N -2.21 2.06 -0.04 3.44 2.20 -1.26 -5.10 119.74 118.82 1u7b s LYS 110 Ca 0.05 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1u7b s LYS 110 Cb 0.10 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 1u7b s LYS 110 CO 0.53 0.02 -0.03 0.08 -0.36 0.00 0.00 175.35 175.58 1u7b s VAL 111 N 0.74 0.46 0.10 4.02 1.01 -1.26 -1.72 120.40 123.74 1u7b s VAL 111 Ca -0.12 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1u7b s VAL 111 Cb -0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1u7b s VAL 111 CO 0.03 0.21 -0.08 -0.44 0.00 0.00 0.00 175.10 174.82 1u7b s SER 112 N 1.03 4.54 -0.04 3.32 0.01 0.01 -4.97 113.70 117.60 1u7b s SER 112 Ca -0.09 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 1u7b s SER 112 Cb -0.14 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.20 1u7b s SER 112 CO -0.01 0.18 0.05 -0.62 0.41 0.00 0.00 173.24 173.25 1u7b s ASP 113 N -2.21 1.02 0.02 2.44 3.68 -1.26 -0.89 116.67 119.47 1u7b s ASP 113 Ca 0.22 0.05 0.09 0.00 2.13 0.00 0.00 52.55 55.04 1u7b s ASP 113 Cb -0.11 -0.17 -0.03 0.00 -1.45 0.00 0.00 42.92 41.17 1u7b s ASP 113 CO 0.15 -0.22 -0.26 -0.31 0.13 0.00 0.00 175.17 174.65 1u7b s TYR 114 N 1.96 2.33 -0.09 -5.34 2.02 0.79 -4.96 117.35 114.06 1u7b s TYR 114 Ca 0.03 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1u7b s TYR 114 Cb -0.12 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1u7b s TYR 114 CO -0.03 0.08 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.71 1u7b s GLU 115 N -1.04 1.66 0.08 -0.62 8.01 -1.26 0.54 118.70 126.07 1u7b s GLU 115 Ca 0.11 -0.35 0.09 0.00 0.01 0.00 0.00 54.97 54.83 1u7b s GLU 115 Cb -0.10 -1.53 -0.03 0.00 -4.31 0.00 0.00 34.13 28.16 1u7b s GLU 115 CO 0.01 -0.12 -0.23 0.00 0.01 0.00 0.00 175.26 174.93 1u7b s MET 116 N 1.17 1.39 0.44 1.61 0.23 -0.31 -4.95 119.30 118.87 1u7b s MET 116 Ca -0.05 -1.13 -0.23 0.00 -1.03 0.00 0.00 55.69 53.26 1u7b s MET 116 Cb -0.14 -1.65 -0.08 0.00 -1.53 0.00 0.00 34.83 31.43 1u7b s MET 116 CO -0.02 0.40 1.08 -1.59 -2.03 0.00 0.00 175.02 172.86 1u7b s LYS 117 N -1.60 3.93 0.48 3.16 0.00 -1.26 -0.43 119.74 124.02 1u7b s LYS 117 Ca 0.09 1.55 0.03 0.00 0.00 0.00 0.00 55.97 57.65 1u7b s LYS 117 Cb -0.10 -2.37 0.02 0.00 0.00 0.00 0.00 37.83 35.38 1u7b s LYS 117 CO 0.04 -0.35 0.68 -0.51 0.00 0.00 0.00 175.35 175.20 1u7b s LEU 118 N -3.00 3.48 0.08 2.77 1.43 -0.06 -4.78 118.68 118.59 1u7b s LEU 118 Ca 0.62 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1u7b s LEU 118 Cb -0.22 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1u7b s LEU 118 CO 0.27 -0.92 -0.08 0.00 0.23 0.00 0.00 176.35 175.85 1u7b s MET 119 N -4.58 0.72 -0.13 1.70 0.23 0.16 -4.91 119.30 112.49 1u7b s MET 119 Ca 0.55 -1.07 -0.29 0.00 -1.03 0.00 0.00 55.69 53.84 1u7b s MET 119 Cb -0.10 -0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 32.88 1u7b s MET 119 CO 0.36 0.03 1.07 -0.51 -2.03 0.00 0.00 175.02 173.94 1u7b s ASP 120 N -2.35 7.16 -0.04 -1.18 1.01 -1.26 -3.30 116.67 116.71 1u7b s ASP 120 Ca 0.02 1.56 0.03 0.00 0.71 0.00 0.00 52.55 54.87 1u7b s ASP 120 Cb -0.02 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1u7b s ASP 120 CO -0.02 -0.54 -0.13 -0.76 0.21 0.00 0.00 175.17 173.93 1u7b s LEU 121 N 2.42 1.83 -1.34 1.23 1.43 -1.26 -5.04 118.68 117.95 1u7b s LEU 121 Ca 0.49 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 1u7b s LEU 121 Cb -0.19 -0.78 0.09 0.00 0.03 0.00 0.00 46.19 45.34 1u7b s LEU 121 CO 0.16 0.10 1.89 -0.90 0.23 0.00 0.00 176.35 177.83 1u7b n ASP 122 N 3.28 4.63 -4.62 2.29 5.75 -1.26 -4.95 116.55 121.67 1u7b n ASP 122 Ca -0.19 -2.93 -0.49 0.00 -0.01 0.00 0.00 54.79 51.17 1u7b n ASP 122 Cb 0.53 -1.65 -0.05 0.00 -1.03 0.00 0.00 41.12 38.92 1u7b n ASP 122 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1u7b n VAL 123 N 5.23 0.44 -3.53 2.12 3.14 -1.26 -4.92 118.33 119.56 1u7b n VAL 123 Ca 0.47 -0.18 -0.37 0.00 -2.96 0.00 0.00 64.34 61.30 1u7b n VAL 123 Cb 0.42 -1.84 -0.06 0.00 -1.06 0.00 0.00 33.84 31.29 1u7b n VAL 123 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1u7b s GLU 124 N 4.78 4.02 0.78 1.45 -1.05 -1.26 -5.07 118.70 122.36 1u7b s GLU 124 Ca 0.98 0.26 -0.12 0.00 -0.15 0.00 0.00 54.97 55.94 1u7b s GLU 124 Cb -0.73 -3.31 0.07 0.00 -0.44 0.00 0.00 34.13 29.72 1u7b s GLU 124 CO 0.51 0.49 1.14 -0.65 0.95 0.00 0.00 175.26 177.70 1u7b s GLN 125 N -0.37 1.94 -0.49 -4.83 -0.21 -1.26 -5.01 119.66 109.44 1u7b s GLN 125 Ca 0.21 1.47 0.05 0.00 0.02 0.00 0.00 55.36 57.11 1u7b s GLN 125 Cb -0.15 -1.84 0.21 0.00 1.00 0.00 0.00 33.01 32.23 1u7b s GLN 125 CO 0.09 -1.93 0.83 -0.11 -2.12 0.00 0.00 175.29 172.05 1u7b n LEU 126 N -3.34 -3.06 -4.56 2.90 7.94 -1.26 -5.12 117.00 110.50 1u7b n LEU 126 Ca 0.11 -2.80 -0.46 0.00 -1.11 0.00 0.00 56.01 51.74 1u7b n LEU 126 Cb 0.52 0.75 -0.05 0.00 0.53 0.00 0.00 43.42 45.18 1u7b n LEU 126 CO 0.50 1.87 1.77 0.61 -1.11 0.00 0.00 177.39 181.03 1u7b n GLY 127 N 2.51 0.96 2.87 -3.96 0.00 -1.26 -4.94 105.19 101.37 1u7b n GLY 127 Ca 0.14 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.71 1u7b n GLY 127 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u7b s ILE 128 N 7.16 1.52 -0.24 -0.61 -4.36 -1.26 -5.10 121.20 118.31 1u7b s ILE 128 Ca 1.02 -1.76 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 1u7b s ILE 128 Cb -0.57 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1u7b s ILE 128 CO 0.43 -0.58 1.59 -2.16 0.24 0.00 0.00 174.94 174.46 1u7b s PRO 129 N 1.30 3.76 -0.12 0.37 0.04 -1.26 -4.96 135.00 134.13 1u7b s PRO 129 Ca 0.08 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 1u7b s PRO 129 Cb -0.18 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 30.27 1u7b s PRO 129 CO -0.16 -1.34 1.91 -1.21 0.04 0.00 0.00 177.00 176.24 1u7b s GLU 130 N 4.72 3.74 0.00 4.56 2.02 -1.26 -4.94 118.70 127.55 1u7b s GLU 130 Ca 0.70 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.81 1u7b s GLU 130 Cb -0.23 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 29.82 1u7b s GLU 130 CO 0.29 -1.39 0.00 0.00 0.02 0.00 0.00 175.26 174.18 1u7b n GLN 131 N 7.91 2.13 -4.29 1.61 -0.00 -1.26 -5.15 117.38 118.32 1u7b n GLN 131 Ca 0.22 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.90 1u7b n GLN 131 Cb 0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 30.24 30.59 1u7b n GLN 131 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1u7b s GLU 132 N -0.34 2.68 0.18 2.61 2.02 -1.26 -5.12 118.70 119.46 1u7b s GLU 132 Ca 0.00 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.37 1u7b s GLU 132 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1u7b s GLU 132 CO 0.00 0.60 0.08 0.71 0.02 0.00 0.00 175.26 176.67 1u7b s TYR 133 N -1.11 3.01 0.27 1.61 1.51 -1.26 -5.00 117.35 116.37 1u7b s TYR 133 Ca 0.20 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1u7b s TYR 133 Cb -0.11 -1.44 0.36 0.00 -0.11 0.00 0.00 41.96 40.66 1u7b s TYR 133 CO 0.11 0.52 1.72 0.77 -1.11 0.00 0.00 175.55 177.57 1u7b h SER 134 N 2.46 0.60 -3.56 2.29 0.02 -1.64 -3.44 113.55 110.28 1u7b h SER 134 Ca -0.47 -0.19 -0.28 0.00 -0.84 0.00 0.00 61.79 60.01 1u7b h SER 134 Cb 1.21 -0.16 -0.33 0.00 0.14 0.00 0.00 62.40 63.26 1u7b h SER 134 CO 0.61 0.79 -0.72 0.00 -1.14 0.00 0.00 176.83 176.37 1u7b s VAL 136 N 0.86 1.26 -0.11 0.00 1.01 -0.54 -0.13 120.40 122.75 1u7b s VAL 136 Ca -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1u7b s VAL 136 Cb -0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1u7b s VAL 136 CO -0.03 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 1u7b s VAL 137 N 1.36 2.67 -0.13 2.92 1.01 0.84 -1.68 120.40 127.39 1u7b s VAL 137 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1u7b s VAL 137 Cb -0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1u7b s VAL 137 CO -0.06 0.54 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 1u7b s LYS 138 N 0.26 3.22 0.26 2.72 2.20 -0.35 0.31 119.74 128.36 1u7b s LYS 138 Ca -0.12 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.60 1u7b s LYS 138 Cb -0.16 -2.54 -0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1u7b s LYS 138 CO 0.06 0.11 0.49 0.00 -0.36 0.00 0.00 175.35 175.65 1u7b s MET 139 N 0.58 1.60 0.30 4.03 0.23 -0.49 -1.39 119.30 124.15 1u7b s MET 139 Ca -0.10 -1.29 -0.29 0.00 -1.03 0.00 0.00 55.69 52.98 1u7b s MET 139 Cb -0.16 0.48 -0.11 0.00 -1.53 0.00 0.00 34.83 33.51 1u7b s MET 139 CO 0.03 -0.67 1.50 -2.14 -2.03 0.00 0.00 175.02 171.71 1u7b s PRO 140 N -3.90 4.19 0.31 3.16 0.02 -1.25 -0.94 135.00 136.59 1u7b s PRO 140 Ca 0.23 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.72 1u7b s PRO 140 Cb -0.01 -3.04 0.52 0.00 0.02 0.00 0.00 34.50 31.98 1u7b s PRO 140 CO 0.10 -0.50 1.88 0.66 -0.33 0.00 0.00 177.00 178.80 1u7b h SER 141 N 4.41 0.66 -0.01 2.53 4.64 -0.92 -2.23 113.55 122.64 1u7b h SER 141 Ca -0.48 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 60.64 1u7b h SER 141 Cb 1.22 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1u7b h SER 141 CO 0.75 0.65 -0.28 1.23 -0.87 0.00 0.00 176.83 178.30 1u7b h GLY 142 N 0.89 0.49 0.87 -0.77 0.00 -1.87 -1.56 103.07 101.11 1u7b h GLY 142 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1u7b h GLY 142 CO -0.01 0.37 0.06 -2.09 0.00 0.00 0.00 176.54 174.88 1u7b h GLU 143 N 0.39 0.36 -0.68 4.80 4.57 -1.79 -1.33 114.58 120.90 1u7b h GLU 143 Ca 0.05 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1u7b h GLU 143 Cb 0.70 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1u7b h GLU 143 CO 0.05 0.46 0.23 0.35 -1.18 0.00 0.00 179.01 178.93 1u7b h PHE 144 N 0.19 1.07 -0.61 0.92 3.57 -1.24 -1.65 116.94 119.19 1u7b h PHE 144 Ca 0.07 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1u7b h PHE 144 Cb 0.26 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1u7b h PHE 144 CO 0.01 0.85 0.40 0.00 -2.23 0.00 0.00 178.31 177.34 1u7b h ALA 145 N 1.10 0.77 -0.35 2.41 0.00 -1.10 -1.69 119.26 120.40 1u7b h ALA 145 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1u7b h ALA 145 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u7b h ALA 145 CO -0.01 0.21 -0.08 -0.09 0.00 0.00 0.00 179.25 179.27 1u7b h ARG 146 N 0.83 0.58 0.04 0.00 9.65 -0.96 -1.15 114.38 123.37 1u7b h ARG 146 Ca 0.22 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1u7b h ARG 146 Cb -0.09 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1u7b h ARG 146 CO -0.05 0.67 -0.02 0.82 2.80 0.00 0.00 179.97 184.19 1u7b h ILE 147 N 0.54 1.11 -0.53 1.20 1.08 -0.83 -0.30 117.51 119.78 1u7b h ILE 147 Ca 0.10 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1u7b h ILE 147 Cb 0.47 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 1u7b h ILE 147 CO 0.03 0.12 0.22 0.00 -0.69 0.00 0.00 178.15 177.82 1u7b h ARG 149 N 0.75 0.32 0.22 0.00 2.43 -1.09 -2.55 114.38 114.46 1u7b h ARG 149 Ca 0.18 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1u7b h ARG 149 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1u7b h ARG 149 CO -0.02 0.70 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.59 1u7b h ASP 150 N -0.05 -0.25 0.32 -3.80 3.32 -0.82 -2.59 116.42 112.55 1u7b h ASP 150 Ca 0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1u7b h ASP 150 Cb 0.63 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1u7b h ASP 150 CO 0.03 -0.14 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.29 1u7b h LEU 151 N -0.34 0.00 -1.63 1.55 3.38 -1.38 -0.15 115.31 116.73 1u7b h LEU 151 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1u7b h LEU 151 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1u7b h LEU 151 CO 0.05 0.05 0.00 0.28 0.09 0.00 0.00 178.44 178.91 1u7b h SER 152 N 0.00 0.00 1.28 -0.43 0.02 -1.04 0.97 113.55 114.35 1u7b h SER 152 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u7b h SER 152 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1u7b h SER 152 CO 0.01 0.00 -0.17 1.41 -1.14 0.00 0.00 176.83 176.93 1u7b n HIS 153 N -2.97 0.78 -0.13 3.45 8.25 -0.07 -4.17 115.22 120.36 1u7b n HIS 153 Ca 0.00 0.23 -0.26 0.00 -0.26 0.00 0.00 57.72 57.43 1u7b n HIS 153 Cb 0.25 -0.84 -0.09 0.00 1.12 0.00 0.00 29.99 30.43 1u7b n HIS 153 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u7b n ILE 154 N -2.18 1.39 -3.93 1.59 2.08 -0.14 -4.97 119.36 113.19 1u7b n ILE 154 Ca 0.05 -0.38 -0.07 0.00 0.56 0.00 0.00 62.75 62.91 1u7b n ILE 154 Cb 0.43 -1.77 -0.02 0.00 -0.75 0.00 0.00 39.64 37.53 1u7b n ILE 154 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u7b n GLY 155 N 1.55 3.16 0.00 7.39 0.00 0.15 -2.97 105.19 114.47 1u7b n GLY 155 Ca -0.49 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1u7b n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u7b n ASP 156 N -2.21 0.81 -4.15 1.61 5.75 -1.26 -4.28 116.55 112.82 1u7b n ASP 156 Ca 0.02 -0.80 -0.14 0.00 -0.01 0.00 0.00 54.79 53.86 1u7b n ASP 156 Cb 0.23 1.08 -0.11 0.00 -1.03 0.00 0.00 41.12 41.30 1u7b n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u7b s ALA 157 N -2.63 1.00 -0.06 2.12 0.00 -1.26 -1.41 121.76 119.51 1u7b s ALA 157 Ca 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1u7b s ALA 157 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1u7b s ALA 157 CO 0.68 -0.06 -0.16 0.54 0.00 0.00 0.00 175.76 176.76 1u7b s VAL 158 N -2.43 1.43 -0.27 0.00 0.11 0.42 -4.47 120.40 115.19 1u7b s VAL 158 Ca 0.04 -0.67 -0.15 0.00 -2.93 0.00 0.00 61.98 58.27 1u7b s VAL 158 Cb -0.03 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1u7b s VAL 158 CO -0.01 0.42 0.36 -0.69 -3.33 0.00 0.00 175.10 171.84 1u7b s VAL 159 N 0.37 5.19 -0.26 2.04 1.01 0.15 -0.95 120.40 127.95 1u7b s VAL 159 Ca -0.11 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1u7b s VAL 159 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1u7b s VAL 159 CO 0.04 0.17 0.12 -0.63 0.00 0.00 0.00 175.10 174.80 1u7b s ILE 160 N 1.98 4.68 -0.09 2.22 1.01 0.16 -0.47 121.20 130.69 1u7b s ILE 160 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1u7b s ILE 160 Cb -0.16 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1u7b s ILE 160 CO 0.10 0.30 -0.18 -0.44 0.00 0.00 0.00 174.94 174.72 1u7b s SER 161 N 1.67 3.66 -0.02 3.58 0.01 0.42 -1.06 113.70 121.96 1u7b s SER 161 Ca 0.07 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.03 1u7b s SER 161 Cb -0.15 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.88 1u7b s SER 161 CO 0.06 0.23 -0.23 0.00 0.41 0.00 0.00 173.24 173.72 1u7b n ALA 163 N 2.56 -1.78 -1.93 0.00 0.00 -1.04 -2.40 120.51 115.92 1u7b n ALA 163 Ca -0.16 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 1u7b n ALA 163 Cb 0.52 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 1u7b n ALA 163 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1u7b s LYS 164 N -2.03 4.49 0.00 0.00 1.02 -1.26 -2.33 119.74 119.63 1u7b s LYS 164 Ca 0.15 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1u7b s LYS 164 Cb -0.02 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1u7b s LYS 164 CO 0.04 -0.05 0.00 -0.25 -0.92 0.00 0.00 175.35 174.17 1u7b n ASP 165 N 1.95 0.00 0.00 2.83 8.00 -1.26 -5.03 116.55 123.03 1u7b n ASP 165 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1u7b n ASP 165 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1u7b n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u7b n GLY 166 N -0.04 -0.56 3.18 0.44 0.00 -0.98 -4.20 105.19 103.01 1u7b n GLY 166 Ca 0.00 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 1u7b n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u7b s VAL 167 N -2.45 1.44 -0.03 1.61 0.11 -0.03 -2.49 120.40 118.57 1u7b s VAL 167 Ca 0.00 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.32 1u7b s VAL 167 Cb 0.00 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 1u7b s VAL 167 CO 0.00 0.40 -0.23 -0.75 -3.33 0.00 0.00 175.10 171.19 1u7b s LYS 168 N -0.46 1.96 -0.18 1.54 2.20 0.63 -0.68 119.74 124.75 1u7b s LYS 168 Ca 0.07 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1u7b s LYS 168 Cb -0.07 -1.84 -0.00 0.00 -1.51 0.00 0.00 37.83 34.41 1u7b s LYS 168 CO -0.01 0.46 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.27 1u7b s PHE 169 N -0.44 2.86 0.02 4.03 0.40 0.30 -0.43 117.98 124.72 1u7b s PHE 169 Ca 0.06 -1.10 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 1u7b s PHE 169 Cb -0.10 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1u7b s PHE 169 CO 0.00 -0.55 -0.18 -1.12 0.70 0.00 0.00 175.22 174.06 1u7b s SER 170 N 1.15 2.17 0.02 1.36 0.01 0.38 -0.65 113.70 118.14 1u7b s SER 170 Ca 0.01 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1u7b s SER 170 Cb -0.14 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1u7b s SER 170 CO -0.04 0.16 0.16 0.00 0.41 0.00 0.00 173.24 173.94 1u7b s ALA 171 N -0.65 -0.32 -0.01 1.44 0.00 -0.75 0.30 121.76 121.77 1u7b s ALA 171 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 1u7b s ALA 171 Cb -0.08 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1u7b s ALA 171 CO 0.01 -0.30 0.05 -1.54 0.00 0.00 0.00 175.76 173.98 1u7b s SER 172 N -1.82 0.03 0.15 0.00 1.04 -1.26 -1.09 113.70 110.75 1u7b s SER 172 Ca -0.09 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 1u7b s SER 172 Cb -0.04 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1u7b s SER 172 CO -0.02 -0.14 0.26 0.61 0.98 0.00 0.00 173.24 174.94 1u7b n GLY 173 N 2.44 1.99 0.30 7.32 0.00 0.81 -4.33 105.19 113.73 1u7b n GLY 173 Ca -0.17 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.72 1u7b n GLY 173 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1u7b h GLU 174 N 0.00 0.15 -0.00 1.61 4.11 -1.98 -1.43 114.58 117.04 1u7b h GLU 174 Ca -0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1u7b h GLU 174 Cb 0.47 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1u7b h GLU 174 CO 0.16 0.10 -0.14 1.47 0.07 0.00 0.00 179.01 180.67 1u7b n LEU 175 N -4.49 0.37 0.00 3.06 -0.00 -1.26 -5.03 117.00 109.65 1u7b n LEU 175 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1u7b n LEU 175 Cb 0.22 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1u7b n LEU 175 CO 0.35 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.42 1u7b n GLY 176 N 1.35 0.92 3.11 1.47 0.00 -0.54 -5.12 105.19 106.38 1u7b n GLY 176 Ca 0.12 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 1u7b n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u7b s ASN 177 N -4.00 0.86 0.04 1.61 2.20 -1.26 -0.13 114.94 114.26 1u7b s ASN 177 Ca 0.00 -0.82 -0.06 0.00 -0.94 0.00 0.00 52.86 51.04 1u7b s ASN 177 Cb 0.00 0.10 -0.01 0.00 -2.00 0.00 0.00 41.25 39.33 1u7b s ASN 177 CO 0.00 -0.40 0.10 -0.83 -2.94 0.00 0.00 177.10 173.03 1u7b s GLY 178 N -2.44 0.18 -0.04 0.45 0.00 -0.25 -5.01 107.32 100.20 1u7b s GLY 178 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1u7b s GLY 178 CO -0.04 -0.72 0.10 0.54 0.00 0.00 0.00 173.10 172.99 1u7b s ASN 179 N -2.20 -0.08 -0.14 1.64 4.22 -1.26 -1.81 114.94 115.31 1u7b s ASN 179 Ca -0.04 0.21 0.01 0.00 -2.14 0.00 0.00 52.86 50.90 1u7b s ASN 179 Cb -0.00 0.15 -0.00 0.00 1.28 0.00 0.00 41.25 42.68 1u7b s ASN 179 CO -0.05 -0.09 -0.18 -0.63 -2.04 0.00 0.00 177.10 174.11 1u7b s ILE 180 N 0.61 2.50 -0.10 0.54 -1.09 0.18 -4.95 121.20 118.88 1u7b s ILE 180 Ca -0.05 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1u7b s ILE 180 Cb -0.06 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1u7b s ILE 180 CO -0.03 0.53 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.31 1u7b s LYS 181 N 0.68 3.07 -0.12 2.79 2.20 -1.26 -0.54 119.74 126.56 1u7b s LYS 181 Ca -0.09 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1u7b s LYS 181 Cb -0.16 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1u7b s LYS 181 CO 0.02 0.32 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.62 1u7b s LEU 182 N 0.04 2.29 0.02 5.43 1.43 0.15 -4.98 118.68 123.06 1u7b s LEU 182 Ca -0.06 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1u7b s LEU 182 Cb -0.15 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1u7b s LEU 182 CO 0.05 0.14 -0.24 -0.44 0.23 0.00 0.00 176.35 176.09 1u7b s SER 183 N 0.47 3.31 0.29 2.29 0.01 -1.26 -0.85 113.70 117.95 1u7b s SER 183 Ca -0.14 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.32 1u7b s SER 183 Cb -0.17 -0.39 -0.13 0.00 0.21 0.00 0.00 66.02 65.54 1u7b s SER 183 CO 0.06 0.28 1.19 0.00 0.41 0.00 0.00 173.24 175.17 1u7b n GLN 184 N 1.92 1.74 -2.44 12.44 6.02 -1.26 -4.86 117.38 130.94 1u7b n GLN 184 Ca -0.17 0.61 -0.23 0.00 -0.01 0.00 0.00 57.00 57.20 1u7b n GLN 184 Cb 0.52 -2.11 0.06 0.00 1.02 0.00 0.00 30.24 29.73 1u7b n GLN 184 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1u7b s THR 185 N -0.86 2.41 -0.54 5.09 -4.23 -0.89 -5.00 115.64 111.61 1u7b s THR 185 Ca 0.60 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 1u7b s THR 185 Cb -0.65 -2.93 0.41 0.00 1.34 0.00 0.00 72.50 70.67 1u7b s THR 185 CO 0.59 0.00 1.45 -1.54 -0.54 0.00 0.00 174.62 174.58 1u7b n SER 186 N -2.68 5.76 0.00 3.99 3.41 -1.26 -4.89 113.62 117.95 1u7b n SER 186 Ca 0.09 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1u7b n SER 186 Cb 0.60 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1u7b n SER 186 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1u7b n GLU 191 N -0.57 0.00 0.00 4.33 0.00 -1.26 -5.18 120.64 117.96 1u7b n GLU 191 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.62 1u7b n GLU 191 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1u7b n GLU 191 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1u7b n GLU 192 N 0.00 0.00 -0.41 3.44 1.02 -1.26 -4.82 120.64 118.61 1u7b n GLU 192 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1u7b n GLU 192 Cb 0.00 -0.14 0.20 0.00 -0.02 0.00 0.00 31.44 31.48 1u7b n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u7b n GLU 193 N -2.13 1.97 -4.16 3.49 -0.58 -1.26 -3.94 120.64 114.03 1u7b n GLU 193 Ca 0.00 -2.88 -0.23 0.00 -0.42 0.00 0.00 57.16 53.63 1u7b n GLU 193 Cb 0.00 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 1u7b n GLU 193 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u7b s ALA 194 N -2.98 3.40 -0.13 0.62 0.00 -1.26 -4.87 121.76 116.54 1u7b s ALA 194 Ca 0.39 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1u7b s ALA 194 Cb 0.34 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1u7b s ALA 194 CO 0.03 0.17 -0.21 0.08 0.00 0.00 0.00 175.76 175.83 1u7b s VAL 195 N -2.32 1.93 -0.05 0.00 1.01 -1.26 -3.98 120.40 115.74 1u7b s VAL 195 Ca 0.34 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1u7b s VAL 195 Cb -0.05 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1u7b s VAL 195 CO 0.22 0.53 -0.20 0.42 0.00 0.00 0.00 175.10 176.07 1u7b s THR 196 N 0.81 1.63 -0.12 3.92 -4.23 -0.48 -2.10 115.64 115.06 1u7b s THR 196 Ca -0.08 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1u7b s THR 196 Cb -0.16 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.33 1u7b s THR 196 CO -0.01 0.46 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.87 1u7b s ILE 197 N -0.05 0.79 -0.29 2.99 1.01 -1.26 -1.21 121.20 123.18 1u7b s ILE 197 Ca -0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1u7b s ILE 197 Cb -0.12 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1u7b s ILE 197 CO 0.02 0.22 0.04 -1.61 0.00 0.00 0.00 174.94 173.61 1u7b s GLU 198 N 1.79 2.95 -0.12 2.79 2.02 -0.68 -5.01 118.70 122.45 1u7b s GLU 198 Ca 0.03 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1u7b s GLU 198 Cb -0.14 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 1u7b s GLU 198 CO -0.07 -0.46 -0.18 1.41 0.02 0.00 0.00 175.26 175.98 1u7b s MET 199 N 1.43 3.24 -0.04 1.61 1.75 -1.26 -1.46 119.30 124.57 1u7b s MET 199 Ca 0.01 -0.77 0.18 0.00 -1.25 0.00 0.00 55.69 53.86 1u7b s MET 199 Cb -0.17 -2.49 -0.21 0.00 2.84 0.00 0.00 34.83 34.80 1u7b s MET 199 CO 0.00 0.20 0.53 -1.71 -0.65 0.00 0.00 175.02 173.39 1u7b n ASN 200 N 3.53 0.44 -3.63 1.11 2.85 0.42 -4.99 115.26 114.99 1u7b n ASN 200 Ca -0.19 0.19 -0.04 0.00 -0.11 0.00 0.00 54.58 54.44 1u7b n ASN 200 Cb 0.53 0.76 -0.04 0.00 1.24 0.00 0.00 39.78 42.27 1u7b n ASN 200 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1u7b s GLU 201 N -2.90 0.17 0.33 1.20 -1.05 -1.24 -5.08 118.70 110.13 1u7b s GLU 201 Ca -0.06 0.04 -0.28 0.00 -0.15 0.00 0.00 54.97 54.52 1u7b s GLU 201 Cb 0.09 0.08 -0.13 0.00 -0.44 0.00 0.00 34.13 33.73 1u7b s GLU 201 CO 0.84 -0.05 1.22 -2.30 0.95 0.00 0.00 175.26 175.91 1u7b n PRO 202 N 0.54 1.93 -3.91 -4.83 -0.02 -1.26 -4.67 135.00 122.79 1u7b n PRO 202 Ca -0.02 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1u7b n PRO 202 Cb 0.59 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 1u7b n PRO 202 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u7b s VAL 203 N -1.09 0.07 -0.06 -1.45 1.01 -1.01 -4.98 120.40 112.90 1u7b s VAL 203 Ca 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 1u7b s VAL 203 Cb -0.60 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1u7b s VAL 203 CO 0.62 0.04 -0.02 -1.58 0.00 0.00 0.00 175.10 174.16 1u7b s GLN 204 N 0.18 0.68 0.03 2.72 0.74 -1.26 0.16 119.66 122.91 1u7b s GLN 204 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.39 1u7b s GLN 204 Cb -0.03 -0.88 -0.02 0.00 1.10 0.00 0.00 33.01 33.18 1u7b s GLN 204 CO -0.01 -0.20 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.02 1u7b s LEU 205 N 1.44 2.23 -0.10 3.68 1.43 -0.22 -4.90 118.68 122.24 1u7b s LEU 205 Ca -0.03 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1u7b s LEU 205 Cb -0.13 0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 1u7b s LEU 205 CO -0.03 -0.44 -0.16 -0.89 0.23 0.00 0.00 176.35 175.05 1u7b s THR 206 N -2.52 2.78 0.12 5.49 2.01 -1.26 0.38 115.64 122.63 1u7b s THR 206 Ca -0.06 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1u7b s THR 206 Cb -0.02 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1u7b s THR 206 CO -0.05 0.55 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1u7b s PHE 207 N 0.07 1.21 -0.09 4.92 0.08 -0.12 -0.69 117.98 123.35 1u7b s PHE 207 Ca -0.07 -0.65 -0.27 0.00 0.12 0.00 0.00 56.93 56.07 1u7b s PHE 207 Cb -0.15 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1u7b s PHE 207 CO 0.05 0.06 0.86 0.00 -0.10 0.00 0.00 175.22 176.09 1u7b s ALA 208 N -2.57 3.36 0.36 5.36 0.00 -1.26 -0.44 121.76 126.57 1u7b s ALA 208 Ca 0.09 0.24 0.20 0.00 0.00 0.00 0.00 51.96 52.49 1u7b s ALA 208 Cb -0.02 -3.21 1.03 0.00 0.00 0.00 0.00 23.12 20.92 1u7b s ALA 208 CO 0.01 -0.38 1.93 -0.07 0.00 0.00 0.00 175.76 177.25 1u7b h LEU 209 N 7.43 0.00 -0.71 0.00 3.38 -1.56 -2.97 115.31 120.88 1u7b h LEU 209 Ca -0.36 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1u7b h LEU 209 Cb 1.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1u7b h LEU 209 CO 0.79 0.24 0.39 -0.09 0.09 0.00 0.00 178.44 179.87 1u7b h ARG 210 N 0.00 0.68 -0.13 1.13 2.43 -1.93 0.54 114.38 117.11 1u7b h ARG 210 Ca -0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 1u7b h ARG 210 Cb 0.52 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1u7b h ARG 210 CO 0.03 0.45 -0.61 1.88 -1.51 0.00 0.00 179.97 180.22 1u7b h TYR 211 N 0.70 0.86 -0.61 2.20 0.05 -1.92 -3.01 116.97 115.24 1u7b h TYR 211 Ca 0.33 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1u7b h TYR 211 Cb 0.24 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1u7b h TYR 211 CO -0.08 1.18 0.40 -0.07 -1.05 0.00 0.00 178.16 178.54 1u7b h LEU 212 N 0.29 0.66 -1.39 3.88 3.38 -1.37 0.49 115.31 121.26 1u7b h LEU 212 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1u7b h LEU 212 Cb 1.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1u7b h LEU 212 CO 0.13 0.47 0.00 0.78 0.09 0.00 0.00 178.44 179.91 1u7b h ASN 213 N 0.78 0.00 0.08 -0.43 2.35 -0.87 -2.10 115.58 115.39 1u7b h ASN 213 Ca 0.23 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.74 1u7b h ASN 213 Cb -0.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.37 1u7b h ASN 213 CO -0.06 0.00 -0.98 -0.26 -1.65 0.00 0.00 177.43 174.48 1u7b h PHE 214 N 0.00 0.83 -0.69 1.19 0.04 -0.81 -3.31 116.94 114.20 1u7b h PHE 214 Ca 0.00 -0.51 0.02 0.00 2.80 0.00 0.00 57.97 60.27 1u7b h PHE 214 Cb 0.52 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 1u7b h PHE 214 CO 0.00 1.36 0.45 0.74 -0.60 0.00 0.00 178.31 180.25 1u7b h PHE 215 N 0.07 0.85 0.00 -0.55 0.04 -0.87 -2.22 116.94 114.24 1u7b h PHE 215 Ca -0.15 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1u7b h PHE 215 Cb 1.69 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.56 1u7b h PHE 215 CO 0.14 0.51 0.00 0.25 -0.60 0.00 0.00 178.31 178.61 1u7b n THR 216 N -4.63 0.00 0.66 -1.55 -2.24 -0.83 -1.44 114.28 104.25 1u7b n THR 216 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1u7b n THR 216 Cb 0.04 -0.70 0.46 0.00 -2.10 0.00 0.00 70.33 68.03 1u7b n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u7b n LYS 217 N -0.87 0.09 0.00 -0.78 4.76 -0.84 -2.29 118.16 118.22 1u7b n LYS 217 Ca 0.06 0.20 0.14 0.00 -2.87 0.00 0.00 58.31 55.84 1u7b n LYS 217 Cb 0.03 -1.63 0.53 0.00 -1.84 0.00 0.00 35.03 32.12 1u7b n LYS 217 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u7b n ALA 218 N -1.61 2.68 -0.25 7.82 0.00 -0.52 -4.37 120.51 124.27 1u7b n ALA 218 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1u7b n ALA 218 Cb 0.29 -1.19 0.16 0.00 0.00 0.00 0.00 19.45 18.70 1u7b n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u7b h THR 219 N 1.89 0.40 0.00 0.00 2.02 -1.67 -0.88 112.91 114.67 1u7b h THR 219 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u7b h THR 219 Cb 0.46 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1u7b h THR 219 CO 0.00 0.03 0.00 -0.81 0.37 0.00 0.00 175.52 175.11 1u7b n PRO 220 N -5.29 0.06 0.20 6.66 -0.04 -1.26 -2.31 135.00 133.01 1u7b n PRO 220 Ca 0.13 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.19 1u7b n PRO 220 Cb 0.46 -1.66 0.17 0.00 -0.04 0.00 0.00 33.50 32.43 1u7b n PRO 220 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1u7b h LEU 221 N 0.00 0.00 -7.18 1.53 3.38 -1.49 -3.47 115.31 108.08 1u7b h LEU 221 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1u7b h LEU 221 Cb 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.61 1u7b h LEU 221 CO 0.00 0.17 0.03 -0.55 0.09 0.00 0.00 178.44 178.19 1u7b s SER 222 N -6.26 -0.49 0.38 -0.43 0.15 -0.98 -4.49 113.70 101.59 1u7b s SER 222 Ca 0.05 0.46 0.25 0.00 0.70 0.00 0.00 55.95 57.41 1u7b s SER 222 Cb 0.06 0.47 0.55 0.00 -1.71 0.00 0.00 66.02 65.39 1u7b s SER 222 CO 0.68 -0.58 1.68 0.28 1.20 0.00 0.00 173.24 176.51 1u7b h SER 223 N 3.23 0.00 -3.06 5.45 0.02 -1.90 -3.42 113.55 113.88 1u7b h SER 223 Ca -0.28 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.17 1u7b h SER 223 Cb 1.16 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1u7b h SER 223 CO 0.40 0.00 -0.75 0.28 -1.14 0.00 0.00 176.83 175.62 1u7b s THR 224 N -3.22 1.92 -0.02 -2.27 -1.32 -1.26 -0.33 115.64 109.14 1u7b s THR 224 Ca 0.07 -2.20 -0.03 0.00 -1.21 0.00 0.00 61.69 58.33 1u7b s THR 224 Cb 0.07 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.00 1u7b s THR 224 CO 0.63 -0.49 0.07 0.54 -2.21 0.00 0.00 174.62 173.16 1u7b s VAL 225 N -2.67 0.03 -0.08 5.08 0.11 -0.11 -4.53 120.40 118.22 1u7b s VAL 225 Ca 0.23 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1u7b s VAL 225 Cb -0.03 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1u7b s VAL 225 CO 0.09 -0.15 -0.21 0.42 -3.33 0.00 0.00 175.10 171.92 1u7b s THR 226 N -0.44 1.83 -0.15 5.04 -4.23 -0.87 -1.40 115.64 115.42 1u7b s THR 226 Ca -0.05 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1u7b s THR 226 Cb -0.03 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 1u7b s THR 226 CO 0.00 0.51 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.77 1u7b s LEU 227 N 0.32 3.12 -0.13 4.79 1.43 0.15 -1.43 118.68 126.93 1u7b s LEU 227 Ca -0.15 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1u7b s LEU 227 Cb -0.17 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1u7b s LEU 227 CO 0.07 0.17 -0.21 -0.44 0.23 0.00 0.00 176.35 176.17 1u7b s SER 228 N 0.37 3.27 0.04 2.29 0.01 -0.07 -0.11 113.70 119.50 1u7b s SER 228 Ca -0.06 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.68 1u7b s SER 228 Cb -0.15 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1u7b s SER 228 CO 0.04 0.12 -0.08 -0.04 0.41 0.00 0.00 173.24 173.69 1u7b s MET 229 N 0.60 0.52 -0.02 12.44 -1.94 0.82 -2.06 119.30 129.66 1u7b s MET 229 Ca -0.11 -0.74 -0.19 0.00 -1.71 0.00 0.00 55.69 52.94 1u7b s MET 229 Cb -0.16 -0.29 0.04 0.00 2.01 0.00 0.00 34.83 36.42 1u7b s MET 229 CO 0.03 0.05 0.41 -1.12 -0.01 0.00 0.00 175.02 174.39 1u7b s SER 230 N -1.53 -0.32 0.47 3.03 0.01 -1.26 -1.10 113.70 113.00 1u7b s SER 230 Ca -0.10 0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.16 1u7b s SER 230 Cb -0.10 0.38 -0.08 0.00 0.21 0.00 0.00 66.02 66.43 1u7b s SER 230 CO 0.00 -0.51 1.26 0.00 0.41 0.00 0.00 173.24 174.40 1u7b n ALA 231 N 1.09 1.25 -3.31 1.44 0.00 -1.26 -2.82 120.51 116.90 1u7b n ALA 231 Ca -0.21 0.20 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1u7b n ALA 231 Cb 0.57 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 1u7b n ALA 231 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u7b n ASP 232 N -0.17 -2.79 -4.08 0.00 8.00 -1.26 -4.94 116.55 111.31 1u7b n ASP 232 Ca 0.08 -0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.19 1u7b n ASP 232 Cb 0.42 -2.37 -0.11 0.00 -0.02 0.00 0.00 41.12 39.04 1u7b n ASP 232 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u7b s VAL 233 N -2.75 0.39 0.46 2.53 -7.23 -1.13 -5.08 120.40 107.58 1u7b s VAL 233 Ca 0.36 -1.49 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 1u7b s VAL 233 Cb -0.20 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.57 1u7b s VAL 233 CO 0.44 -0.73 1.40 -2.84 -0.31 0.00 0.00 175.10 173.05 1u7b s PRO 234 N -2.87 3.66 0.43 4.82 0.02 -1.26 -4.65 135.00 135.14 1u7b s PRO 234 Ca -0.00 2.35 -0.22 0.00 0.02 0.00 0.00 61.00 63.14 1u7b s PRO 234 Cb -0.00 -2.62 -0.09 0.00 0.02 0.00 0.00 34.50 31.81 1u7b s PRO 234 CO -0.04 -0.81 1.02 -1.17 -0.33 0.00 0.00 177.00 175.66 1u7b s LEU 235 N -2.78 4.02 -0.12 -5.54 2.96 -0.17 -4.78 118.68 112.27 1u7b s LEU 235 Ca 0.62 1.91 0.01 0.00 -0.22 0.00 0.00 54.13 56.45 1u7b s LEU 235 Cb -0.42 -4.37 0.02 0.00 0.50 0.00 0.00 46.19 41.92 1u7b s LEU 235 CO 0.54 -0.52 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.21 1u7b s VAL 236 N -1.87 1.51 -0.19 1.68 1.01 -0.88 -0.82 120.40 120.86 1u7b s VAL 236 Ca 0.61 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1u7b s VAL 236 Cb -0.17 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1u7b s VAL 236 CO 0.22 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.92 1u7b s VAL 237 N 1.09 2.46 -0.04 2.92 1.01 0.45 -0.89 120.40 127.40 1u7b s VAL 237 Ca -0.04 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1u7b s VAL 237 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1u7b s VAL 237 CO -0.03 0.51 -0.22 -0.70 0.00 0.00 0.00 175.10 174.65 1u7b s GLU 238 N 1.27 2.09 -0.15 2.72 2.12 -0.51 -0.13 118.70 126.12 1u7b s GLU 238 Ca 0.04 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.58 1u7b s GLU 238 Cb -0.14 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.40 1u7b s GLU 238 CO -0.09 0.39 -0.19 0.71 -0.54 0.00 0.00 175.26 175.55 1u7b s TYR 239 N -0.27 2.48 -0.02 5.30 1.51 -0.22 -2.05 117.35 124.09 1u7b s TYR 239 Ca 0.01 -1.34 -0.25 0.00 -1.01 0.00 0.00 57.07 54.49 1u7b s TYR 239 Cb -0.11 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1u7b s TYR 239 CO 0.01 -0.66 0.75 0.15 -1.11 0.00 0.00 175.55 174.70 1u7b s LYS 240 N 1.12 4.47 -0.73 -0.62 -0.14 -1.26 -0.66 119.74 121.90 1u7b s LYS 240 Ca -0.01 1.00 -0.15 0.00 -1.36 0.00 0.00 55.97 55.45 1u7b s LYS 240 Cb -0.14 -3.42 0.18 0.00 -1.68 0.00 0.00 37.83 32.77 1u7b s LYS 240 CO -0.07 0.13 0.71 0.42 -0.76 0.00 0.00 175.35 175.78 1u7b s ILE 241 N 0.53 5.39 0.00 2.17 -1.09 -0.05 -4.39 121.20 123.76 1u7b s ILE 241 Ca 0.40 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.78 1u7b s ILE 241 Cb -0.19 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 1u7b s ILE 241 CO 0.21 -1.02 0.00 0.00 -1.23 0.00 0.00 174.94 172.90 1u7b n ALA 242 N 4.65 0.00 -3.94 9.38 0.00 -1.26 -0.32 120.51 129.02 1u7b n ALA 242 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.22 1u7b n ALA 242 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 1u7b n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u7b n ASP 243 N 0.00 -1.45 0.08 0.00 8.00 -1.26 -4.74 116.55 117.18 1u7b n ASP 243 Ca 0.00 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1u7b n ASP 243 Cb 0.00 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1u7b n ASP 243 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1u7b n MET 244 N -4.41 0.00 0.00 -1.24 2.81 0.56 -4.31 117.12 110.53 1u7b n MET 244 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1u7b n MET 244 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 1u7b n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u7b n GLY 245 N 1.03 -0.52 3.82 3.03 0.00 -0.80 -0.03 105.19 111.72 1u7b n GLY 245 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1u7b n GLY 245 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u7b s HIS 246 N 0.00 -0.15 -0.16 1.61 -3.43 -0.80 -0.88 115.29 111.49 1u7b s HIS 246 Ca 0.00 -0.27 -0.01 0.00 -0.80 0.00 0.00 55.06 53.98 1u7b s HIS 246 Cb 0.00 0.69 0.04 0.00 -1.43 0.00 0.00 32.58 31.89 1u7b s HIS 246 CO 0.00 -1.12 -0.03 -1.17 -2.00 0.00 0.00 174.74 170.43 1u7b s LEU 247 N -2.95 1.41 -0.09 5.38 2.96 0.16 -1.14 118.68 124.41 1u7b s LEU 247 Ca 0.12 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1u7b s LEU 247 Cb -0.04 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1u7b s LEU 247 CO 0.06 -0.21 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.20 1u7b s LYS 248 N 1.72 2.90 -0.03 1.98 1.02 0.19 -1.05 119.74 126.47 1u7b s LYS 248 Ca 0.01 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.39 1u7b s LYS 248 Cb -0.15 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1u7b s LYS 248 CO -0.07 0.45 -0.25 0.71 -0.92 0.00 0.00 175.35 175.26 1u7b s TYR 249 N -0.27 2.37 0.00 3.18 2.02 0.82 -0.61 117.35 124.85 1u7b s TYR 249 Ca 0.02 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.33 1u7b s TYR 249 Cb -0.13 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1u7b s TYR 249 CO 0.03 -0.05 -0.22 0.71 -1.57 0.00 0.00 175.55 174.44 1u7b s TYR 250 N -0.55 2.44 -0.05 2.71 1.51 0.36 -0.41 117.35 123.37 1u7b s TYR 250 Ca 0.08 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1u7b s TYR 250 Cb -0.11 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1u7b s TYR 250 CO -0.00 0.10 0.02 -1.17 -1.11 0.00 0.00 175.55 173.39 1u7b s LEU 251 N -0.93 0.65 0.19 -1.29 2.96 0.00 -1.66 118.68 118.60 1u7b s LEU 251 Ca 0.12 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 1u7b s LEU 251 Cb -0.10 -0.26 -0.08 0.00 0.50 0.00 0.00 46.19 46.24 1u7b s LEU 251 CO 0.01 -0.18 1.25 0.00 -1.32 0.00 0.00 176.35 176.11 1u7b s ALA 252 N 1.69 3.47 0.97 5.97 0.00 -0.36 -1.00 121.76 132.51 1u7b s ALA 252 Ca -0.00 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 1u7b s ALA 252 Cb -0.13 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.72 1u7b s ALA 252 CO -0.03 -0.45 1.15 -1.25 0.00 0.00 0.00 175.76 175.18 1u7b s PRO 253 N -0.14 0.62 -0.04 0.00 0.04 -1.26 -4.81 135.00 129.42 1u7b s PRO 253 Ca 0.55 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 61.55 1u7b s PRO 253 Cb -0.34 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1u7b s PRO 253 CO 0.37 -2.53 0.68 0.15 0.04 0.00 0.00 177.00 175.71 1u7b s LYS 254 N -5.32 4.42 0.00 4.56 1.02 0.13 -5.00 119.74 119.55 1u7b s LYS 254 Ca 0.66 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1u7b s LYS 254 Cb -0.13 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1u7b s LYS 254 CO 0.54 0.17 0.00 -0.89 -0.92 0.00 0.00 175.35 174.25