#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6r s LYS 3 N 0.00 3.44 -0.10 1.43 1.02 -1.26 -0.92 119.74 123.35 3f6r s LYS 3 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.43 3f6r s LYS 3 Cb 0.00 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3f6r s LYS 3 CO 0.00 -0.13 -0.20 0.08 -0.92 0.00 0.00 175.35 174.17 3f6r s VAL 4 N 1.34 1.80 -0.15 3.17 1.01 0.17 0.40 120.40 128.14 3f6r s VAL 4 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3f6r s VAL 4 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3f6r s VAL 4 CO -0.01 0.50 -0.06 -0.22 0.00 0.00 0.00 175.10 175.31 3f6r s LEU 5 N 0.52 3.14 -0.17 3.92 2.96 -0.83 -0.23 118.68 127.98 3f6r s LEU 5 Ca -0.16 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3f6r s LEU 5 Cb -0.17 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3f6r s LEU 5 CO 0.06 0.17 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.42 3f6r s ILE 6 N 0.35 2.05 -0.03 6.68 1.01 0.13 -0.68 121.20 130.71 3f6r s ILE 6 Ca -0.06 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3f6r s ILE 6 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3f6r s ILE 6 CO 0.04 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.66 3f6r s VAL 7 N 1.18 1.36 0.05 2.92 1.01 -0.43 -0.47 120.40 126.01 3f6r s VAL 7 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3f6r s VAL 7 Cb -0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3f6r s VAL 7 CO -0.10 0.39 -0.03 0.72 0.00 0.00 0.00 175.10 176.08 3f6r s PHE 8 N -0.07 0.50 -0.12 5.22 -0.12 -0.95 -0.41 117.98 122.04 3f6r s PHE 8 Ca -0.01 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 55.86 3f6r s PHE 8 Cb -0.10 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.94 3f6r s PHE 8 CO 0.01 -0.36 -0.12 0.20 -0.05 0.00 0.00 175.22 174.91 3f6r s GLY 9 N -2.78 0.96 -0.03 1.99 0.00 0.04 -0.60 107.32 106.90 3f6r s GLY 9 Ca 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 3f6r s GLY 9 CO -0.09 0.56 0.04 -0.45 0.00 0.00 0.00 173.10 173.16 3f6r s SER 10 N 1.43 0.50 -0.19 1.64 0.15 -1.26 -3.43 113.70 112.54 3f6r s SER 10 Ca 0.02 0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 3f6r s SER 10 Cb -0.13 -0.11 -0.20 0.00 -1.71 0.00 0.00 66.02 63.87 3f6r s SER 10 CO -0.07 -0.17 0.16 -1.20 1.20 0.00 0.00 173.24 173.16 3f6r n SER 11 N 4.61 1.96 -0.01 5.45 7.64 -1.26 -4.58 113.62 127.44 3f6r n SER 11 Ca -0.18 0.32 0.10 0.00 1.01 0.00 0.00 58.87 60.12 3f6r n SER 11 Cb 0.50 -0.89 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 3f6r n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f6r n THR 12 N -4.06 0.00 0.00 0.44 -2.24 -1.26 -5.00 114.28 102.16 3f6r n THR 12 Ca -0.36 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3f6r n THR 12 Cb 0.83 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3f6r n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f6r n GLY 13 N 1.37 0.96 0.21 3.38 0.00 -1.26 -5.02 105.19 104.84 3f6r n GLY 13 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3f6r n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f6r h ASN 14 N 0.00 0.76 1.17 1.61 2.35 -1.94 -0.49 115.58 119.03 3f6r h ASN 14 Ca 0.00 -0.52 -0.06 0.00 -0.55 0.00 0.00 56.30 55.16 3f6r h ASN 14 Cb 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3f6r h ASN 14 CO 0.00 1.14 -0.30 0.74 -1.65 0.00 0.00 177.43 177.36 3f6r h THR 15 N 0.41 0.63 0.39 2.81 2.02 -1.89 -2.69 112.91 114.58 3f6r h THR 15 Ca 0.02 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 3f6r h THR 15 Cb 0.98 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 3f6r h THR 15 CO 0.09 0.30 -0.19 -0.08 0.37 0.00 0.00 175.52 176.01 3f6r h GLU 16 N 0.00 -0.50 -1.00 6.66 4.81 -1.86 -2.23 114.58 120.47 3f6r h GLU 16 Ca -0.00 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.54 3f6r h GLU 16 Cb 0.97 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.33 3f6r h GLU 16 CO 0.04 -0.18 0.59 1.03 -0.73 0.00 0.00 179.01 179.75 3f6r h SER 17 N -0.88 0.62 0.08 1.04 0.87 -1.03 0.63 113.55 114.87 3f6r h SER 17 Ca -0.05 0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 3f6r h SER 17 Cb 0.54 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3f6r h SER 17 CO 0.09 0.02 -0.61 0.40 -0.53 0.00 0.00 176.83 176.20 3f6r h ILE 18 N 0.49 1.33 0.00 2.23 2.04 -1.46 -2.62 117.51 119.52 3f6r h ILE 18 Ca 0.68 -1.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 3f6r h ILE 18 Cb 1.39 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 3f6r h ILE 18 CO -0.52 0.58 -0.39 0.00 0.00 0.00 0.00 178.15 177.81 3f6r h ALA 19 N 0.94 0.94 0.13 1.87 0.00 -0.29 -1.65 119.26 121.20 3f6r h ALA 19 Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 3f6r h ALA 19 Cb 1.16 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.92 3f6r h ALA 19 CO 0.11 0.49 -1.12 1.96 0.00 0.00 0.00 179.25 180.70 3f6r h GLN 20 N 0.00 0.53 -0.56 0.00 4.20 -1.14 -2.19 115.11 115.94 3f6r h GLN 20 Ca -0.00 -0.74 -0.02 0.00 0.06 0.00 0.00 58.65 57.95 3f6r h GLN 20 Cb 0.97 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 3f6r h GLN 20 CO 0.05 1.33 0.29 -0.22 -0.67 0.00 0.00 178.83 179.61 3f6r h LYS 21 N 0.09 0.80 -0.82 1.46 1.63 -1.44 -1.85 116.57 116.44 3f6r h LYS 21 Ca -0.18 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3f6r h LYS 21 Cb 1.83 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 33.27 3f6r h LYS 21 CO 0.21 0.64 0.46 -0.07 -3.45 0.00 0.00 179.45 177.24 3f6r h LEU 22 N 0.76 1.00 -1.22 5.20 3.38 -1.36 -1.21 115.31 121.86 3f6r h LEU 22 Ca 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3f6r h LEU 22 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3f6r h LEU 22 CO -0.03 0.80 0.19 -0.08 0.09 0.00 0.00 178.44 179.41 3f6r h GLU 23 N 1.14 0.73 -0.08 1.13 4.81 -0.97 -2.33 114.58 119.00 3f6r h GLU 23 Ca 0.29 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3f6r h GLU 23 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3f6r h GLU 23 CO -0.05 0.62 -0.71 1.49 -0.73 0.00 0.00 179.01 179.62 3f6r h GLU 24 N 0.73 0.39 0.09 1.92 4.81 -0.46 -2.21 114.58 119.85 3f6r h GLU 24 Ca 0.17 -0.31 -0.26 0.00 -0.13 0.00 0.00 59.36 58.84 3f6r h GLU 24 Cb 0.17 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3f6r h GLU 24 CO -0.01 0.95 -1.17 -0.07 -0.73 0.00 0.00 179.01 177.97 3f6r h LEU 25 N 0.27 0.34 0.11 1.64 3.38 -1.00 -2.35 115.31 117.69 3f6r h LEU 25 Ca -0.03 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.44 3f6r h LEU 25 Cb 1.28 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.94 3f6r h LEU 25 CO 0.12 1.27 -0.67 0.40 0.09 0.00 0.00 178.44 179.65 3f6r h ILE 26 N 0.07 1.55 -0.99 1.22 2.04 -1.50 -3.01 117.51 116.89 3f6r h ILE 26 Ca -0.10 -2.49 0.22 0.00 1.00 0.00 0.00 64.86 63.49 3f6r h ILE 26 Cb 1.90 3.22 -0.09 0.00 -0.74 0.00 0.00 36.82 41.11 3f6r h ILE 26 CO 0.19 0.69 0.63 0.00 0.00 0.00 0.00 178.15 179.65 3f6r h ALA 27 N 0.05 2.02 0.00 1.87 0.00 -1.50 0.27 119.26 121.98 3f6r h ALA 27 Ca -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3f6r h ALA 27 Cb 1.51 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3f6r h ALA 27 CO 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 179.25 178.86 3f6r h ALA 28 N 1.63 1.16 -0.01 0.00 0.00 -1.35 -2.73 119.26 117.97 3f6r h ALA 28 Ca 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3f6r h ALA 28 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3f6r h ALA 28 CO -0.30 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3f6r n GLY 29 N -0.43 -0.85 0.00 0.00 0.00 0.95 -4.85 105.19 100.02 3f6r n GLY 29 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3f6r n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6r n GLY 30 N 0.98 1.03 3.72 -0.02 0.00 -1.03 -5.02 105.19 104.85 3f6r n GLY 30 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3f6r n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f6r s HIS 31 N -2.00 3.02 -0.40 1.61 4.02 -1.21 -4.29 115.29 116.04 3f6r s HIS 31 Ca 0.00 -0.03 -0.22 0.00 1.02 0.00 0.00 55.06 55.83 3f6r s HIS 31 Cb 0.00 -1.51 0.02 0.00 -1.02 0.00 0.00 32.58 30.07 3f6r s HIS 31 CO 0.00 0.50 0.70 -2.00 1.02 0.00 0.00 174.74 174.96 3f6r s GLU 32 N -2.64 3.51 -0.14 1.40 2.12 -0.10 -4.03 118.70 118.83 3f6r s GLU 32 Ca 0.28 -0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.49 3f6r s GLU 32 Cb -0.11 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 3f6r s GLU 32 CO 0.20 -0.93 0.07 0.08 -0.54 0.00 0.00 175.26 174.15 3f6r s VAL 33 N 2.95 4.91 -0.16 3.70 1.01 -1.26 -0.65 120.40 130.89 3f6r s VAL 33 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 3f6r s VAL 33 Cb -0.14 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3f6r s VAL 33 CO 0.18 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.80 3f6r s THR 34 N -0.37 2.71 -0.22 3.92 2.01 0.68 -4.97 115.64 119.40 3f6r s THR 34 Ca 0.09 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 3f6r s THR 34 Cb -0.12 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3f6r s THR 34 CO 0.02 0.51 0.02 -0.22 -0.69 0.00 0.00 174.62 174.25 3f6r s LEU 35 N 0.92 3.26 -0.02 4.42 2.96 -1.26 0.20 118.68 129.16 3f6r s LEU 35 Ca -0.03 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3f6r s LEU 35 Cb -0.15 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3f6r s LEU 35 CO -0.01 0.02 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.14 3f6r s LEU 36 N 1.29 1.94 -0.16 -0.68 1.43 0.38 -4.99 118.68 117.89 3f6r s LEU 36 Ca 0.04 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 3f6r s LEU 36 Cb -0.15 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 3f6r s LEU 36 CO 0.01 0.13 1.03 0.21 0.23 0.00 0.00 176.35 177.97 3f6r s ASN 37 N -0.11 7.17 0.62 2.29 3.84 -1.26 -2.23 114.94 125.26 3f6r s ASN 37 Ca 0.01 1.47 0.26 0.00 0.21 0.00 0.00 52.86 54.81 3f6r s ASN 37 Cb -0.07 -2.55 1.27 0.00 -0.55 0.00 0.00 41.25 39.35 3f6r s ASN 37 CO 0.00 -0.56 1.70 0.00 -2.79 0.00 0.00 177.10 175.46 3f6r h ALA 38 N 7.28 2.09 0.00 1.71 0.00 -1.15 0.61 119.26 129.81 3f6r h ALA 38 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3f6r h ALA 38 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3f6r h ALA 38 CO 0.92 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3f6r h ALA 39 N 1.11 1.00 0.00 0.00 0.00 -1.79 -3.16 119.26 116.42 3f6r h ALA 39 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3f6r h ALA 39 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3f6r h ALA 39 CO -0.00 0.00 -1.40 -0.25 0.00 0.00 0.00 179.25 177.60 3f6r n ASP 40 N -2.86 1.25 -4.72 0.00 8.00 0.21 -5.01 116.55 113.43 3f6r n ASP 40 Ca 0.01 -0.25 -0.40 0.00 0.71 0.00 0.00 54.79 54.86 3f6r n ASP 40 Cb 0.31 1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 42.86 3f6r n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6r s ALA 41 N -2.87 3.33 -0.17 2.24 0.00 -1.12 -5.04 121.76 118.13 3f6r s ALA 41 Ca -0.02 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 3f6r s ALA 41 Cb 0.10 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 3f6r s ALA 41 CO 0.63 -0.10 0.69 -1.54 0.00 0.00 0.00 175.76 175.44 3f6r s SER 42 N 0.80 6.79 0.21 0.00 1.04 -1.26 -4.98 113.70 116.30 3f6r s SER 42 Ca 0.38 0.96 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 3f6r s SER 42 Cb -0.18 -2.38 0.18 0.00 0.10 0.00 0.00 66.02 63.74 3f6r s SER 42 CO 0.18 -0.28 1.63 0.00 0.98 0.00 0.00 173.24 175.74 3f6r h ALA 43 N 7.34 0.87 -0.31 5.32 0.00 -1.94 -3.41 119.26 127.14 3f6r h ALA 43 Ca -0.32 -0.37 -0.77 0.00 0.00 0.00 0.00 54.91 53.45 3f6r h ALA 43 Cb 1.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3f6r h ALA 43 CO 0.79 0.63 1.24 -1.91 0.00 0.00 0.00 179.25 180.00 3f6r n GLU 44 N -4.11 0.17 -2.01 0.00 4.07 -1.26 0.15 120.64 117.65 3f6r n GLU 44 Ca 0.00 0.05 -0.18 0.00 -0.06 0.00 0.00 57.16 56.97 3f6r n GLU 44 Cb 0.44 -1.64 -0.04 0.00 -0.06 0.00 0.00 31.44 30.14 3f6r n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3f6r n ASN 45 N 7.31 -4.97 -0.19 4.31 5.15 0.17 -4.85 115.26 122.19 3f6r n ASN 45 Ca 0.49 0.23 0.09 0.00 -0.60 0.00 0.00 54.58 54.79 3f6r n ASN 45 Cb -0.00 -4.29 0.38 0.00 -0.53 0.00 0.00 39.78 35.34 3f6r n ASN 45 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3f6r h LEU 46 N 0.00 0.61 0.00 1.20 5.85 -0.12 -2.15 115.31 120.70 3f6r h LEU 46 Ca -0.40 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3f6r h LEU 46 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3f6r h LEU 46 CO 0.52 0.37 -0.04 0.00 -0.34 0.00 0.00 178.44 178.95 3f6r n ALA 47 N -2.46 2.36 -1.69 1.25 0.00 -0.79 -4.89 120.51 114.29 3f6r n ALA 47 Ca 0.12 -0.07 -0.44 0.00 0.00 0.00 0.00 53.44 53.05 3f6r n ALA 47 Cb 0.31 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 3f6r n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3f6r n ASP 48 N -1.98 3.58 0.00 0.00 2.03 -0.81 -1.03 116.55 118.34 3f6r n ASP 48 Ca 0.06 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3f6r n ASP 48 Cb 0.40 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 3f6r n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f6r n GLY 49 N 3.72 3.38 3.73 0.27 0.00 -1.26 -5.05 105.19 109.97 3f6r n GLY 49 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3f6r n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6r s TYR 50 N -2.91 3.51 0.16 1.61 1.51 -0.20 -4.73 117.35 116.31 3f6r s TYR 50 Ca 0.00 0.87 0.04 0.00 -1.01 0.00 0.00 57.07 56.97 3f6r s TYR 50 Cb 0.00 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 3f6r s TYR 50 CO 0.00 0.18 1.38 -0.44 -1.11 0.00 0.00 175.55 175.56 3f6r h ASP 51 N 6.67 0.20 -5.11 2.29 3.32 -0.36 -3.46 116.42 119.97 3f6r h ASP 51 Ca -0.41 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.34 3f6r h ASP 51 Cb 1.18 -0.06 -0.18 0.00 0.22 0.00 0.00 39.33 40.49 3f6r h ASP 51 CO 0.75 0.98 -0.63 0.00 -1.72 0.00 0.00 179.24 178.63 3f6r s ALA 52 N -3.15 0.19 -0.08 3.45 0.00 -1.05 -2.93 121.76 118.18 3f6r s ALA 52 Ca -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3f6r s ALA 52 Cb 0.10 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3f6r s ALA 52 CO 0.82 -0.29 -0.02 0.08 0.00 0.00 0.00 175.76 176.35 3f6r s VAL 53 N -2.75 0.54 -0.18 0.00 1.01 0.38 -1.96 120.40 117.43 3f6r s VAL 53 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3f6r s VAL 53 Cb -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3f6r s VAL 53 CO -0.06 0.28 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 3f6r s LEU 54 N 1.80 4.23 -0.16 3.92 1.43 0.14 -2.55 118.68 127.50 3f6r s LEU 54 Ca 0.03 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3f6r s LEU 54 Cb -0.13 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3f6r s LEU 54 CO -0.05 0.18 -0.09 -0.36 0.23 0.00 0.00 176.35 176.26 3f6r s PHE 55 N 0.26 2.89 -0.07 0.29 0.40 -0.45 -1.31 117.98 119.99 3f6r s PHE 55 Ca 0.11 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 3f6r s PHE 55 Cb -0.12 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 3f6r s PHE 55 CO -0.00 -0.29 -0.15 0.20 0.70 0.00 0.00 175.22 175.68 3f6r s GLY 56 N 0.69 1.51 -0.30 4.36 0.00 0.46 -1.34 107.32 112.70 3f6r s GLY 56 Ca -0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 3f6r s GLY 56 CO 0.02 -0.63 0.91 0.00 0.00 0.00 0.00 173.10 173.41 3f6r s SER 58 N 2.29 6.48 -0.08 0.00 1.04 -1.22 -4.60 113.70 117.61 3f6r s SER 58 Ca -0.05 1.31 -0.03 0.00 0.48 0.00 0.00 55.95 57.66 3f6r s SER 58 Cb -0.07 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 3f6r s SER 58 CO -0.17 -0.56 0.05 0.00 0.98 0.00 0.00 173.24 173.53 3f6r s ALA 59 N -2.63 3.48 0.00 5.32 0.00 -1.26 -1.97 121.76 124.70 3f6r s ALA 59 Ca 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3f6r s ALA 59 Cb -0.10 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3f6r s ALA 59 CO 0.37 0.61 0.00 0.91 0.00 0.00 0.00 175.76 177.65 3f6r n TRP 60 N 1.93 0.00 -0.21 0.00 7.02 0.90 -4.96 117.44 122.12 3f6r n TRP 60 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 3f6r n TRP 60 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 3f6r n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3f6r n GLY 61 N 1.54 -3.39 0.21 6.99 0.00 -1.26 -3.40 105.19 105.88 3f6r n GLY 61 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 3f6r n GLY 61 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3f6r h MET 62 N 0.29 0.65 0.00 1.61 4.05 -1.99 -3.44 114.93 116.10 3f6r h MET 62 Ca 0.00 -0.52 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 3f6r h MET 62 Cb 0.00 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3f6r h MET 62 CO 0.00 1.14 0.00 0.39 0.23 0.00 0.00 176.91 178.67 3f6r n GLU 63 N -3.91 0.00 -0.99 0.39 1.02 -1.26 -5.08 120.64 110.82 3f6r n GLU 63 Ca -0.06 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.84 3f6r n GLU 63 Cb 0.72 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.33 3f6r n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3f6r n ASP 64 N 0.00 -1.45 -4.68 1.62 3.85 -1.26 -4.99 116.55 109.64 3f6r n ASP 64 Ca 0.00 -1.11 -0.42 0.00 -0.71 0.00 0.00 54.79 52.55 3f6r n ASP 64 Cb 0.00 -0.81 -0.03 0.00 -1.35 0.00 0.00 41.12 38.93 3f6r n ASP 64 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3f6r s LEU 65 N 0.00 4.23 -0.11 -2.12 1.98 -1.26 -4.46 118.68 116.94 3f6r s LEU 65 Ca 0.58 1.37 0.03 0.00 -2.89 0.00 0.00 54.13 53.21 3f6r s LEU 65 Cb -0.05 -3.39 -0.00 0.00 0.66 0.00 0.00 46.19 43.41 3f6r s LEU 65 CO 0.43 -0.39 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.67 3f6r s GLU 66 N 1.92 3.10 0.51 1.98 2.02 -1.22 -4.96 118.70 122.06 3f6r s GLU 66 Ca 0.44 -0.84 -0.19 0.00 0.02 0.00 0.00 54.97 54.39 3f6r s GLU 66 Cb -0.18 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.60 3f6r s GLU 66 CO 0.16 0.15 1.05 -1.64 0.02 0.00 0.00 175.26 175.00 3f6r s MET 67 N 0.43 3.66 0.26 1.61 -1.94 -1.26 -0.07 119.30 121.99 3f6r s MET 67 Ca -0.16 1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.88 3f6r s MET 67 Cb -0.17 -2.07 -0.14 0.00 2.01 0.00 0.00 34.83 34.46 3f6r s MET 67 CO 0.07 -0.55 1.19 0.94 -0.01 0.00 0.00 175.02 176.65 3f6r n GLN 68 N -1.21 1.63 0.22 2.03 0.00 -0.83 -4.72 117.38 114.49 3f6r n GLN 68 Ca 0.09 0.57 0.10 0.00 -0.00 0.00 0.00 57.00 57.77 3f6r n GLN 68 Cb 0.52 -2.08 0.36 0.00 0.00 0.00 0.00 30.24 29.04 3f6r n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f6r h ASP 69 N 2.90 0.00 0.48 1.69 1.82 -1.94 -0.20 116.42 121.17 3f6r h ASP 69 Ca -0.43 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.01 3f6r h ASP 69 Cb 1.31 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.32 3f6r h ASP 69 CO 0.66 0.18 -0.90 0.44 -1.61 0.00 0.00 179.24 178.02 3f6r h ASP 70 N 0.00 0.36 0.19 2.28 3.32 -1.95 -3.06 116.42 117.56 3f6r h ASP 70 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3f6r h ASP 70 Cb 0.88 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3f6r h ASP 70 CO 0.02 1.09 -0.09 0.15 -1.72 0.00 0.00 179.24 178.69 3f6r h PHE 71 N 0.16 -0.24 -0.91 4.55 3.57 -1.72 -3.29 116.94 119.06 3f6r h PHE 71 Ca -0.06 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.58 3f6r h PHE 71 Cb 1.53 0.08 -0.15 0.00 2.79 0.00 0.00 35.95 40.19 3f6r h PHE 71 CO 0.04 0.17 -0.38 1.25 -2.23 0.00 0.00 178.31 177.16 3f6r h LEU 72 N -0.81 -1.40 -1.29 0.59 5.85 -1.14 0.64 115.31 117.76 3f6r h LEU 72 Ca -0.03 0.29 0.16 0.00 0.84 0.00 0.00 57.88 59.14 3f6r h LEU 72 Cb 0.52 0.73 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 3f6r h LEU 72 CO 0.04 -0.29 0.58 0.28 -0.34 0.00 0.00 178.44 178.71 3f6r h SER 73 N -0.04 0.63 0.23 1.25 0.02 -1.65 0.26 113.55 114.25 3f6r h SER 73 Ca 0.32 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 61.09 3f6r h SER 73 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3f6r h SER 73 CO -0.92 0.30 -0.91 0.25 -1.14 0.00 0.00 176.83 174.41 3f6r h LEU 74 N 0.66 0.62 -0.78 5.07 5.85 -0.03 -3.29 115.31 123.41 3f6r h LEU 74 Ca 0.46 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3f6r h LEU 74 Cb 0.80 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3f6r h LEU 74 CO -0.22 1.26 0.48 0.15 -0.34 0.00 0.00 178.44 179.78 3f6r h PHE 75 N 0.29 0.90 -1.06 1.25 3.57 0.32 0.69 116.94 122.89 3f6r h PHE 75 Ca -0.08 0.03 0.29 0.00 3.53 0.00 0.00 57.97 61.74 3f6r h PHE 75 Cb 1.54 -0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 3f6r h PHE 75 CO 0.07 0.48 0.66 1.49 -2.23 0.00 0.00 178.31 178.78 3f6r h GLU 76 N 0.91 0.39 -0.69 1.11 4.81 -1.13 -1.95 114.58 118.02 3f6r h GLU 76 Ca 0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3f6r h GLU 76 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3f6r h GLU 76 CO -0.14 0.25 0.00 0.39 -0.73 0.00 0.00 179.01 178.78 3f6r n GLU 77 N -4.75 3.45 -0.26 1.92 -0.58 0.22 -4.46 120.64 116.17 3f6r n GLU 77 Ca 0.28 -2.83 0.33 0.00 -0.42 0.00 0.00 57.16 54.51 3f6r n GLU 77 Cb 0.92 -1.81 0.74 0.00 -0.57 0.00 0.00 31.44 30.72 3f6r n GLU 77 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3f6r h PHE 78 N 4.22 0.00 -0.20 -0.32 -1.00 -1.14 -0.55 116.94 117.96 3f6r h PHE 78 Ca 0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 3f6r h PHE 78 Cb 1.33 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.88 3f6r h PHE 78 CO 0.70 0.00 0.15 -0.44 -1.61 0.00 0.00 178.31 177.11 3f6r h ASP 79 N 0.00 0.00 -0.01 2.17 3.32 -1.84 -2.42 116.42 117.64 3f6r h ASP 79 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3f6r h ASP 79 Cb 2.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.62 3f6r h ASP 79 CO -0.01 0.00 -0.27 0.54 -1.72 0.00 0.00 179.24 177.78 3f6r n ARG 80 N -4.37 1.61 -0.04 3.56 1.74 -0.21 -4.53 116.66 114.42 3f6r n ARG 80 Ca 0.02 -1.31 -0.17 0.00 -0.77 0.00 0.00 57.85 55.63 3f6r n ARG 80 Cb 0.29 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 3f6r n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f6r h ILE 81 N 3.19 1.27 -0.16 0.55 2.04 -1.47 0.50 117.51 123.43 3f6r h ILE 81 Ca 0.00 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.98 3f6r h ILE 81 Cb 0.82 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3f6r h ILE 81 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.36 3f6r n GLY 82 N 0.59 0.73 0.07 5.37 0.00 -1.26 -1.89 105.19 108.79 3f6r n GLY 82 Ca -0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3f6r n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f6r n LEU 83 N -0.08 0.53 -4.67 0.99 4.77 -1.26 -4.72 117.00 112.56 3f6r n LEU 83 Ca 0.00 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 3f6r n LEU 83 Cb 0.05 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 3f6r n LEU 83 CO 0.00 -0.12 1.57 0.00 -1.33 0.00 0.00 177.39 177.52 3f6r n ALA 84 N -1.68 1.50 -0.99 -1.18 0.00 -1.23 -1.37 120.51 115.55 3f6r n ALA 84 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3f6r n ALA 84 Cb 0.40 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3f6r n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6r n GLY 85 N 4.50 0.55 3.90 0.00 0.00 0.12 -4.95 105.19 109.31 3f6r n GLY 85 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3f6r n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f6r s ARG 86 N -0.13 3.17 0.12 1.61 0.52 -0.47 -4.92 118.95 118.86 3f6r s ARG 86 Ca 0.00 -0.92 -0.16 0.00 -0.52 0.00 0.00 55.73 54.13 3f6r s ARG 86 Cb 0.00 -2.73 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 3f6r s ARG 86 CO 0.00 0.39 0.55 0.15 0.02 0.00 0.00 175.30 176.41 3f6r s LYS 87 N -3.93 4.05 0.01 3.54 1.02 -1.15 -1.43 119.74 121.85 3f6r s LYS 87 Ca 0.34 0.57 -0.08 0.00 0.02 0.00 0.00 55.97 56.82 3f6r s LYS 87 Cb -0.08 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 3f6r s LYS 87 CO 0.27 0.53 0.16 0.08 -0.92 0.00 0.00 175.35 175.47 3f6r s VAL 88 N -1.35 0.09 0.11 3.17 1.01 0.16 -0.47 120.40 123.12 3f6r s VAL 88 Ca 0.35 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3f6r s VAL 88 Cb -0.16 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.67 3f6r s VAL 88 CO 0.19 -0.41 0.37 0.00 0.00 0.00 0.00 175.10 175.25 3f6r s ALA 89 N -1.71 -0.84 0.09 5.51 0.00 -1.06 0.05 121.76 123.81 3f6r s ALA 89 Ca -0.12 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 51.83 3f6r s ALA 89 Cb -0.06 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3f6r s ALA 89 CO 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 175.76 174.97 3f6r s ALA 90 N -3.64 1.65 0.17 0.00 0.00 -1.26 -1.34 121.76 117.35 3f6r s ALA 90 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 3f6r s ALA 90 Cb 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3f6r s ALA 90 CO -0.11 0.32 0.11 -0.59 0.00 0.00 0.00 175.76 175.49 3f6r s PHE 91 N -1.14 1.03 -0.03 0.00 -0.71 -0.45 -0.97 117.98 115.70 3f6r s PHE 91 Ca 0.05 -1.31 -0.30 0.00 -1.04 0.00 0.00 56.93 54.33 3f6r s PHE 91 Cb -0.10 -0.51 0.11 0.00 -1.21 0.00 0.00 43.02 41.30 3f6r s PHE 91 CO 0.04 -0.60 0.99 0.00 -1.34 0.00 0.00 175.22 174.30 3f6r s ALA 92 N -4.11 -1.88 0.02 1.99 0.00 -0.70 -2.78 121.76 114.29 3f6r s ALA 92 Ca 0.33 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.33 3f6r s ALA 92 Cb 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3f6r s ALA 92 CO 0.08 -0.73 0.06 0.45 0.00 0.00 0.00 175.76 175.63 3f6r s SER 93 N -2.49 5.51 0.00 0.00 0.15 -1.26 -3.29 113.70 112.32 3f6r s SER 93 Ca 0.07 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.79 3f6r s SER 93 Cb -0.01 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3f6r s SER 93 CO -0.06 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.23 3f6r n GLY 94 N 1.03 2.48 2.72 9.45 0.00 0.08 -4.32 105.19 116.63 3f6r n GLY 94 Ca -0.12 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3f6r n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f6r s ASP 95 N -0.58 2.87 0.45 1.61 2.15 -1.26 -4.19 116.67 117.72 3f6r s ASP 95 Ca 0.00 -0.82 0.23 0.00 0.43 0.00 0.00 52.55 52.39 3f6r s ASP 95 Cb 0.00 -0.56 1.22 0.00 -0.30 0.00 0.00 42.92 43.29 3f6r s ASP 95 CO 0.00 -0.31 1.85 1.56 -0.17 0.00 0.00 175.17 178.09 3f6r h GLN 96 N 8.26 0.26 0.00 4.34 1.08 -1.98 -0.19 115.11 126.89 3f6r h GLN 96 Ca -0.16 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 3f6r h GLN 96 Cb 1.12 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3f6r h GLN 96 CO 0.33 0.18 0.00 0.39 -0.95 0.00 0.00 178.83 178.78 3f6r n GLU 97 N -4.45 0.15 -3.96 1.46 1.02 -1.26 -4.62 120.64 108.98 3f6r n GLU 97 Ca 0.21 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 57.16 3f6r n GLU 97 Cb 0.83 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 3f6r n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f6r s TYR 98 N -2.06 3.23 -0.01 -0.32 1.51 -0.09 -5.05 117.35 114.57 3f6r s TYR 98 Ca 0.07 -0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 3f6r s TYR 98 Cb 0.04 -1.57 -0.19 0.00 -0.11 0.00 0.00 41.96 40.12 3f6r s TYR 98 CO 0.06 0.40 1.32 1.49 -1.11 0.00 0.00 175.55 177.71 3f6r h GLU 99 N 1.27 0.02 -3.73 -0.62 4.81 -1.86 -3.37 114.58 111.10 3f6r h GLU 99 Ca -0.49 -0.01 -0.79 0.00 -0.13 0.00 0.00 59.36 57.94 3f6r h GLU 99 Cb 1.24 -0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.35 3f6r h GLU 99 CO 0.60 0.46 0.18 -1.01 -0.73 0.00 0.00 179.01 178.50 3f6r s HIS 100 N -4.45 3.90 0.05 0.92 3.76 -1.26 -5.03 115.29 113.18 3f6r s HIS 100 Ca -0.16 -2.25 -0.30 0.00 -0.15 0.00 0.00 55.06 52.20 3f6r s HIS 100 Cb 0.02 -3.79 -0.08 0.00 1.11 0.00 0.00 32.58 29.84 3f6r s HIS 100 CO 0.68 -0.97 1.78 0.12 -0.85 0.00 0.00 174.74 175.50 3f6r s PHE 101 N -0.29 1.95 -1.23 1.40 5.36 -1.26 -2.98 117.98 120.93 3f6r s PHE 101 Ca 0.22 -0.00 -0.29 0.00 -0.96 0.00 0.00 56.93 55.90 3f6r s PHE 101 Cb -0.10 -4.08 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 3f6r s PHE 101 CO -0.09 -4.57 0.54 0.00 -1.46 0.00 0.00 175.22 169.65 3f6r h GLY 103 N -2.35 0.00 1.76 0.00 0.00 -1.91 -2.49 103.07 98.08 3f6r h GLY 103 Ca -0.68 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 3f6r h GLY 103 CO 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.96 3f6r h ALA 104 N 2.09 1.47 0.80 3.60 0.00 -1.87 -3.15 119.26 122.20 3f6r h ALA 104 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3f6r h ALA 104 Cb 0.40 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3f6r h ALA 104 CO 0.00 0.37 -0.39 0.28 0.00 0.00 0.00 179.25 179.52 3f6r h VAL 105 N 0.28 0.21 -0.77 0.00 2.07 -1.70 -0.38 116.25 115.95 3f6r h VAL 105 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3f6r h VAL 105 Cb 0.38 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3f6r h VAL 105 CO 0.02 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.67 3f6r h PRO 106 N -1.08 0.82 -0.37 1.57 0.13 -1.74 -1.93 132.00 129.41 3f6r h PRO 106 Ca -0.11 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 3f6r h PRO 106 Cb 0.83 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 3f6r h PRO 106 CO 0.17 0.54 0.19 0.00 -0.23 0.00 0.00 178.00 178.68 3f6r h ALA 107 N 1.58 0.47 -0.61 -0.56 0.00 -1.47 -1.99 119.26 116.68 3f6r h ALA 107 Ca 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3f6r h ALA 107 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3f6r h ALA 107 CO -0.11 0.01 0.26 0.82 0.00 0.00 0.00 179.25 180.23 3f6r h ILE 108 N 0.46 1.23 -0.15 0.00 2.04 -0.76 -2.41 117.51 117.92 3f6r h ILE 108 Ca 0.13 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3f6r h ILE 108 Cb 0.08 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3f6r h ILE 108 CO -0.02 0.27 -0.05 -0.33 0.00 0.00 0.00 178.15 178.02 3f6r h GLU 109 N 0.85 0.22 0.13 2.37 5.08 -1.07 -1.36 114.58 120.79 3f6r h GLU 109 Ca 0.21 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 3f6r h GLU 109 Cb 0.18 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3f6r h GLU 109 CO -0.02 0.29 -0.84 0.93 -1.00 0.00 0.00 179.01 178.37 3f6r h GLU 110 N 0.21 0.28 -0.93 2.33 5.08 -1.12 -2.28 114.58 118.16 3f6r h GLU 110 Ca 0.05 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3f6r h GLU 110 Cb 0.24 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 3f6r h GLU 110 CO 0.01 1.23 0.60 -0.09 -1.00 0.00 0.00 179.01 179.76 3f6r h ARG 111 N -0.39 1.05 -0.44 2.33 9.65 -1.37 -0.98 114.38 124.22 3f6r h ARG 111 Ca -0.15 -0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.53 3f6r h ARG 111 Cb 1.63 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.96 3f6r h ARG 111 CO 0.14 0.69 -0.27 0.00 2.80 0.00 0.00 179.97 183.33 3f6r h ALA 112 N 1.49 0.62 -0.27 2.80 0.00 -1.27 -2.45 119.26 120.19 3f6r h ALA 112 Ca 0.39 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3f6r h ALA 112 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3f6r h ALA 112 CO -0.14 0.65 -0.37 0.87 0.00 0.00 0.00 179.25 180.26 3f6r h LYS 113 N 0.79 0.61 0.00 0.00 1.57 -1.11 0.12 116.57 118.55 3f6r h LYS 113 Ca 0.09 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3f6r h LYS 113 Cb 0.85 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 3f6r h LYS 113 CO 0.08 0.89 -0.12 0.93 -0.57 0.00 0.00 179.45 180.65 3f6r h GLU 114 N 0.51 0.00 -0.08 3.15 5.08 -1.07 -1.90 114.58 120.27 3f6r h GLU 114 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3f6r h GLU 114 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3f6r h GLU 114 CO 0.07 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 3f6r n LEU 115 N -3.65 2.62 0.00 1.33 4.77 -0.93 -4.93 117.00 116.21 3f6r n LEU 115 Ca -0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3f6r n LEU 115 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3f6r n LEU 115 CO 0.30 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3f6r n GLY 116 N 1.32 1.06 3.91 -0.72 0.00 -0.71 -3.48 105.19 106.56 3f6r n GLY 116 Ca 0.16 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3f6r n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6r s ALA 117 N -2.00 3.53 -0.14 4.61 0.00 0.36 0.13 121.76 128.26 3f6r s ALA 117 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 3f6r s ALA 117 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3f6r s ALA 117 CO 0.00 0.01 0.01 0.99 0.00 0.00 0.00 175.76 176.77 3f6r s THR 118 N -2.33 4.36 -0.49 0.00 2.01 -0.52 -4.28 115.64 114.39 3f6r s THR 118 Ca 0.45 -0.20 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 3f6r s THR 118 Cb -0.10 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.54 3f6r s THR 118 CO 0.35 0.53 0.97 -0.63 -0.69 0.00 0.00 174.62 175.14 3f6r s ILE 119 N -0.14 4.40 0.16 1.82 -1.09 -1.26 -0.66 121.20 124.42 3f6r s ILE 119 Ca 0.05 0.69 -0.14 0.00 -2.23 0.00 0.00 60.65 59.01 3f6r s ILE 119 Cb -0.12 -4.50 0.04 0.00 -1.58 0.00 0.00 42.46 36.30 3f6r s ILE 119 CO 0.02 -0.95 1.77 0.40 -1.23 0.00 0.00 174.94 174.94 3f6r h ILE 120 N 6.09 1.17 -3.49 2.92 2.04 -0.74 -3.46 117.51 122.04 3f6r h ILE 120 Ca -0.24 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3f6r h ILE 120 Cb 1.07 0.56 -0.14 0.00 -0.74 0.00 0.00 36.82 37.57 3f6r h ILE 120 CO 1.06 0.19 -0.22 0.00 0.00 0.00 0.00 178.15 179.18 3f6r s ALA 121 N -5.84 -0.64 0.36 1.87 0.00 -1.26 -4.84 121.76 111.41 3f6r s ALA 121 Ca -0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 3f6r s ALA 121 Cb 0.12 0.51 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 3f6r s ALA 121 CO 0.76 -0.53 1.23 -1.21 0.00 0.00 0.00 175.76 176.01 3f6r s GLU 122 N -3.42 4.24 0.22 0.00 2.02 -1.26 -4.64 118.70 115.87 3f6r s GLU 122 Ca 0.01 2.02 -0.32 0.00 0.02 0.00 0.00 54.97 56.70 3f6r s GLU 122 Cb 0.02 -2.91 -0.14 0.00 0.10 0.00 0.00 34.13 31.20 3f6r s GLU 122 CO -0.09 -0.21 1.43 0.41 0.02 0.00 0.00 175.26 176.82 3f6r n GLY 123 N 0.79 0.82 3.68 -1.39 0.00 -1.26 -4.86 105.19 102.97 3f6r n GLY 123 Ca 0.02 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 3f6r n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f6r s LEU 124 N 0.23 4.25 -0.14 0.99 2.96 -0.14 -4.96 118.68 121.86 3f6r s LEU 124 Ca 0.70 1.81 -0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3f6r s LEU 124 Cb -0.66 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.51 3f6r s LEU 124 CO 0.48 -0.66 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.22 3f6r s LYS 125 N 2.67 1.73 0.27 1.98 1.02 -1.26 -1.72 119.74 124.44 3f6r s LYS 125 Ca 0.57 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.00 3f6r s LYS 125 Cb -0.24 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3f6r s LYS 125 CO 0.20 -0.32 0.50 0.00 -0.92 0.00 0.00 175.35 174.82 3f6r s MET 126 N 1.61 1.65 0.15 1.68 0.23 -1.21 -5.05 119.30 118.37 3f6r s MET 126 Ca 0.03 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.40 3f6r s MET 126 Cb -0.14 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 3f6r s MET 126 CO -0.09 -0.70 0.15 -1.21 -2.03 0.00 0.00 175.02 171.15 3f6r s GLU 127 N -3.76 2.96 1.96 3.16 2.02 -1.26 -0.74 118.70 123.05 3f6r s GLU 127 Ca 0.23 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3f6r s GLU 127 Cb -0.01 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3f6r s GLU 127 CO 0.11 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.30 3f6r n GLY 128 N -0.28 -0.94 0.00 -1.39 0.00 -1.26 -4.66 105.19 96.66 3f6r n GLY 128 Ca -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3f6r n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6r n ASP 129 N -1.29 0.00 0.01 1.61 3.85 -1.26 -4.79 116.55 114.69 3f6r n ASP 129 Ca 0.00 -0.81 -0.07 0.00 -0.71 0.00 0.00 54.79 53.20 3f6r n ASP 129 Cb 0.00 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 39.87 3f6r n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f6r h ALA 130 N -1.84 0.81 0.00 2.12 0.00 -1.80 -2.74 119.26 115.82 3f6r h ALA 130 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3f6r h ALA 130 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3f6r h ALA 130 CO 0.00 0.66 0.00 0.77 0.00 0.00 0.00 179.25 180.68 3f6r h SER 131 N 0.41 0.00 0.98 0.00 0.02 -1.94 -2.71 113.55 110.31 3f6r h SER 131 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3f6r h SER 131 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3f6r h SER 131 CO 0.09 0.00 -0.27 -3.20 -1.14 0.00 0.00 176.83 172.31 3f6r n ASN 132 N -2.33 0.50 -2.72 3.07 2.85 -1.03 -4.46 115.26 111.14 3f6r n ASN 132 Ca 0.01 0.26 -0.08 0.00 -0.11 0.00 0.00 54.58 54.66 3f6r n ASN 132 Cb 0.16 -0.24 0.09 0.00 1.24 0.00 0.00 39.78 41.03 3f6r n ASN 132 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3f6r n ASP 133 N -1.85 -2.18 -0.22 1.20 -0.08 -1.04 -4.99 116.55 107.39 3f6r n ASP 133 Ca 0.05 -3.38 0.09 0.00 -1.51 0.00 0.00 54.79 50.05 3f6r n ASP 133 Cb 0.39 1.76 0.37 0.00 2.34 0.00 0.00 41.12 45.98 3f6r n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6r h PRO 134 N 2.79 0.69 0.50 -0.67 0.13 -1.74 -1.84 132.00 131.88 3f6r h PRO 134 Ca -0.15 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 3f6r h PRO 134 Cb 1.13 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3f6r h PRO 134 CO 0.09 0.46 -0.37 0.93 -0.23 0.00 0.00 178.00 178.88 3f6r h GLU 135 N 0.71 -0.83 -0.98 0.86 4.39 -1.95 0.39 114.58 117.17 3f6r h GLU 135 Ca 0.37 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.32 3f6r h GLU 135 Cb 0.48 0.19 -0.11 0.00 -0.10 0.00 0.00 28.75 29.20 3f6r h GLU 135 CO -0.14 -0.55 0.58 0.00 -1.16 0.00 0.00 179.01 177.74 3f6r h ALA 136 N -0.50 1.64 -0.04 3.43 0.00 -1.76 0.23 119.26 122.27 3f6r h ALA 136 Ca -0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f6r h ALA 136 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3f6r h ALA 136 CO 0.01 -0.11 -0.05 0.28 0.00 0.00 0.00 179.25 179.39 3f6r h VAL 137 N 0.70 1.40 -0.77 0.00 2.07 -1.08 -2.77 116.25 115.80 3f6r h VAL 137 Ca 0.58 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.89 3f6r h VAL 137 Cb 0.95 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 3f6r h VAL 137 CO -0.41 0.34 0.47 0.00 0.02 0.00 0.00 177.57 178.00 3f6r h ALA 138 N 0.51 1.04 -0.34 1.67 0.00 0.86 -1.70 119.26 121.30 3f6r h ALA 138 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3f6r h ALA 138 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3f6r h ALA 138 CO 0.01 0.22 -0.15 1.03 0.00 0.00 0.00 179.25 180.36 3f6r h SER 139 N 0.89 0.73 -0.71 0.00 0.87 -0.65 -0.73 113.55 113.96 3f6r h SER 139 Ca 0.33 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3f6r h SER 139 Cb 0.11 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3f6r h SER 139 CO -0.15 0.97 0.35 0.15 -0.53 0.00 0.00 176.83 177.61 3f6r h PHE 140 N 0.49 1.03 -0.17 2.24 3.57 -1.28 -0.25 116.94 122.57 3f6r h PHE 140 Ca 0.08 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3f6r h PHE 140 Cb 0.69 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3f6r h PHE 140 CO 0.06 0.75 -0.29 0.00 -2.23 0.00 0.00 178.31 176.60 3f6r h ALA 141 N 1.35 1.20 0.42 2.41 0.00 -1.10 -2.06 119.26 121.48 3f6r h ALA 141 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3f6r h ALA 141 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f6r h ALA 141 CO -0.03 0.52 -0.20 0.93 0.00 0.00 0.00 179.25 180.47 3f6r h GLU 142 N 0.29 -0.54 -0.62 0.00 5.08 -0.06 -0.41 114.58 118.32 3f6r h GLU 142 Ca 0.04 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 3f6r h GLU 142 Cb 0.66 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.94 3f6r h GLU 142 CO 0.05 -0.31 0.10 -0.44 -1.00 0.00 0.00 179.01 177.41 3f6r h ASP 143 N -0.65 -0.08 0.57 1.42 5.19 -1.00 -1.96 116.42 119.92 3f6r h ASP 143 Ca -0.06 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3f6r h ASP 143 Cb 0.48 0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.19 3f6r h ASP 143 CO 0.09 -0.03 -0.28 0.58 -3.12 0.00 0.00 179.24 176.48 3f6r h VAL 144 N 0.22 0.41 -0.70 -1.35 2.07 -1.30 -3.17 116.25 112.43 3f6r h VAL 144 Ca 0.33 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 67.87 3f6r h VAL 144 Cb 0.52 0.46 -0.13 0.00 -1.52 0.00 0.00 31.29 30.63 3f6r h VAL 144 CO -0.45 0.02 -0.10 -0.07 0.02 0.00 0.00 177.57 176.99 3f6r h LEU 145 N -0.85 -0.51 -1.79 2.57 3.38 -0.64 -0.84 115.31 116.62 3f6r h LEU 145 Ca -0.08 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3f6r h LEU 145 Cb 0.62 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3f6r h LEU 145 CO 0.13 -0.20 0.00 0.11 0.09 0.00 0.00 178.44 178.57 3f6r h LYS 146 N 0.04 0.00 -0.14 1.13 1.79 -1.36 -1.51 116.57 116.53 3f6r h LYS 146 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3f6r h LYS 146 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3f6r h LYS 146 CO -0.67 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 178.74 3f6r n GLN 147 N -2.94 2.05 0.00 3.15 1.13 -0.33 -5.12 117.38 115.31 3f6r n GLN 147 Ca -0.00 -1.55 0.14 0.00 -1.94 0.00 0.00 57.00 53.64 3f6r n GLN 147 Cb 0.22 -1.46 0.55 0.00 0.11 0.00 0.00 30.24 29.66 3f6r n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90