#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 -0.84 119.74 123.42 3f6r s LYS 3 Ca 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.41 3f6r s LYS 3 Cb 0.00 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3f6r s LYS 3 CO 0.00 -0.15 -0.16 0.08 -0.92 0.00 0.00 175.35 174.20 3f6r s VAL 4 N 1.38 1.52 -0.19 3.17 1.01 0.14 0.03 120.40 127.47 3f6r s VAL 4 Ca 0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3f6r s VAL 4 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3f6r s VAL 4 CO -0.02 0.45 0.04 -0.22 0.00 0.00 0.00 175.10 175.35 3f6r s LEU 5 N 0.89 3.59 -0.20 3.92 2.96 -0.81 -0.11 118.68 128.92 3f6r s LEU 5 Ca -0.08 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3f6r s LEU 5 Cb -0.15 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3f6r s LEU 5 CO -0.00 0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.37 3f6r s ILE 6 N 0.70 2.52 -0.01 6.68 1.01 0.10 0.18 121.20 132.38 3f6r s ILE 6 Ca 0.02 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.95 3f6r s ILE 6 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3f6r s ILE 6 CO 0.02 0.49 -0.22 -0.69 0.00 0.00 0.00 174.94 174.54 3f6r s VAL 7 N 1.35 1.76 0.05 2.92 1.01 -0.11 -0.45 120.40 126.93 3f6r s VAL 7 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3f6r s VAL 7 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3f6r s VAL 7 CO -0.09 0.47 0.04 0.72 0.00 0.00 0.00 175.10 176.24 3f6r s PHE 8 N -0.55 0.34 -0.13 5.22 -0.12 -0.95 0.16 117.98 121.96 3f6r s PHE 8 Ca 0.09 -0.77 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 3f6r s PHE 8 Cb -0.09 -0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 3f6r s PHE 8 CO -0.01 -0.38 -0.19 0.20 -0.05 0.00 0.00 175.22 174.79 3f6r s GLY 9 N -2.51 1.24 -0.04 1.99 0.00 0.71 -1.20 107.32 107.51 3f6r s GLY 9 Ca 0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 3f6r s GLY 9 CO -0.08 0.06 0.04 -0.45 0.00 0.00 0.00 173.10 172.67 3f6r s SER 10 N 0.86 0.79 -0.15 1.64 0.15 -1.26 -3.37 113.70 112.35 3f6r s SER 10 Ca -0.07 0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.42 3f6r s SER 10 Cb -0.15 -0.17 -0.24 0.00 -1.71 0.00 0.00 66.02 63.75 3f6r s SER 10 CO -0.01 -0.19 0.44 0.28 1.20 0.00 0.00 173.24 174.96 3f6r h SER 11 N 7.92 0.20 0.00 5.45 0.02 -1.99 -3.41 113.55 121.75 3f6r h SER 11 Ca -0.27 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 3f6r h SER 11 Cb 1.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3f6r h SER 11 CO 0.30 1.52 -1.00 0.35 -1.14 0.00 0.00 176.83 176.87 3f6r n THR 12 N -4.15 0.00 0.00 -2.27 -2.24 -1.26 -4.99 114.28 99.37 3f6r n THR 12 Ca -0.26 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3f6r n THR 12 Cb 0.78 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 1.44 0.87 0.16 3.38 0.00 -1.26 -5.00 105.19 104.78 3f6r n GLY 13 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.48 -0.22 1.61 2.35 -1.94 0.88 115.58 118.75 3f6r h ASN 14 Ca 0.00 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.22 3f6r h ASN 14 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3f6r h ASN 14 CO 0.00 0.77 -0.30 0.74 -1.65 0.00 0.00 177.43 176.99 3f6r h THR 15 N 0.18 1.28 -0.16 2.81 2.02 -1.87 -2.69 112.91 114.48 3f6r h THR 15 Ca 0.05 -1.44 0.05 0.00 0.77 0.00 0.00 66.41 65.85 3f6r h THR 15 Cb 0.58 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 3f6r h THR 15 CO 0.03 0.47 -0.19 -0.08 0.37 0.00 0.00 175.52 176.12 3f6r h GLU 16 N 0.61 -0.21 -0.67 6.66 4.81 -1.81 -1.13 114.58 122.83 3f6r h GLU 16 Ca 0.07 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3f6r h GLU 16 Cb 0.82 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 3f6r h GLU 16 CO 0.07 -0.14 0.31 1.03 -0.73 0.00 0.00 179.01 179.55 3f6r h SER 17 N -0.22 0.39 -0.63 1.04 0.87 -0.64 -0.09 113.55 114.28 3f6r h SER 17 Ca 0.11 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 3f6r h SER 17 Cb 0.39 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 3f6r h SER 17 CO -0.30 0.22 0.18 0.40 -0.53 0.00 0.00 176.83 176.81 3f6r h ILE 18 N 0.54 1.25 -0.21 2.23 2.04 -1.25 -2.18 117.51 119.93 3f6r h ILE 18 Ca 0.33 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 3f6r h ILE 18 Cb 0.36 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3f6r h ILE 18 CO -0.27 0.34 -0.26 0.00 0.00 0.00 0.00 178.15 177.95 3f6r h ALA 19 N 1.21 1.16 -0.01 1.87 0.00 0.23 -0.40 119.26 123.33 3f6r h ALA 19 Ca 0.21 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 3f6r h ALA 19 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f6r h ALA 19 CO -0.00 0.53 -0.93 1.96 0.00 0.00 0.00 179.25 180.81 3f6r h GLN 20 N 0.35 0.43 -0.44 0.00 4.20 -1.07 -1.11 115.11 117.48 3f6r h GLN 20 Ca 0.05 -0.46 -0.12 0.00 0.06 0.00 0.00 58.65 58.18 3f6r h GLN 20 Cb 0.65 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3f6r h GLN 20 CO 0.05 1.11 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.90 3f6r h LYS 21 N 0.25 0.91 -0.59 1.46 1.63 -1.22 -2.55 116.57 116.45 3f6r h LYS 21 Ca -0.08 -0.39 -0.04 0.00 -0.85 0.00 0.00 60.65 59.29 3f6r h LYS 21 Cb 1.57 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.14 3f6r h LYS 21 CO 0.16 1.05 0.22 -0.07 -3.45 0.00 0.00 179.45 177.36 3f6r h LEU 22 N 0.74 0.83 -1.23 5.20 3.38 -1.05 -1.54 115.31 121.63 3f6r h LEU 22 Ca 0.10 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3f6r h LEU 22 Cb 0.77 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3f6r h LEU 22 CO 0.06 0.79 0.57 -0.08 0.09 0.00 0.00 178.44 179.86 3f6r h GLU 23 N 0.82 0.80 -0.02 1.13 4.81 -1.08 -2.07 114.58 118.98 3f6r h GLU 23 Ca 0.19 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.19 3f6r h GLU 23 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3f6r h GLU 23 CO -0.01 0.53 -0.82 1.49 -0.73 0.00 0.00 179.01 179.47 3f6r h GLU 24 N 0.83 0.24 0.03 1.92 4.81 -0.93 -2.31 114.58 119.17 3f6r h GLU 24 Ca 0.41 -0.23 -0.22 0.00 -0.13 0.00 0.00 59.36 59.19 3f6r h GLU 24 Cb 0.47 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3f6r h GLU 24 CO -0.18 0.93 -1.00 -0.07 -0.73 0.00 0.00 179.01 177.96 3f6r h LEU 25 N 0.15 0.18 0.17 1.64 3.38 -0.79 -2.73 115.31 117.30 3f6r h LEU 25 Ca -0.04 -0.17 -0.32 0.00 0.09 0.00 0.00 57.88 57.44 3f6r h LEU 25 Cb 1.42 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3f6r h LEU 25 CO 0.13 1.07 -1.59 0.40 0.09 0.00 0.00 178.44 178.54 3f6r h ILE 26 N 0.05 1.02 -0.05 1.22 2.04 -1.45 -3.08 117.51 117.26 3f6r h ILE 26 Ca -0.05 -2.49 0.02 0.00 1.00 0.00 0.00 64.86 63.33 3f6r h ILE 26 Cb 1.70 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 40.57 3f6r h ILE 26 CO 0.15 0.80 0.05 0.00 0.00 0.00 0.00 178.15 179.15 3f6r h ALA 27 N 0.06 1.72 0.00 1.87 0.00 -1.52 -0.03 119.26 121.37 3f6r h ALA 27 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3f6r h ALA 27 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3f6r h ALA 27 CO 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3f6r h ALA 28 N 1.95 1.00 -0.05 0.00 0.00 -1.44 -2.96 119.26 117.76 3f6r h ALA 28 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f6r h ALA 28 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3f6r h ALA 28 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3f6r n GLY 29 N 0.83 -0.69 0.84 0.00 0.00 -0.03 -4.85 105.19 101.28 3f6r n GLY 29 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.81 0.76 3.79 -0.02 0.00 -1.12 -4.99 105.19 104.42 3f6r n GLY 30 Ca 0.12 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 3.18 -0.39 1.61 4.02 -1.18 -4.28 115.29 116.24 3f6r s HIS 31 Ca 0.00 0.03 -0.20 0.00 1.02 0.00 0.00 55.06 55.92 3f6r s HIS 31 Cb 0.00 -1.57 0.01 0.00 -1.02 0.00 0.00 32.58 30.00 3f6r s HIS 31 CO 0.00 0.52 0.58 -2.00 1.02 0.00 0.00 174.74 174.86 3f6r s GLU 32 N -2.76 3.43 -0.15 1.40 2.12 -0.02 -4.02 118.70 118.70 3f6r s GLU 32 Ca 0.30 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.30 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 0.23 -0.83 0.05 0.08 -0.54 0.00 0.00 175.26 174.25 3f6r s VAL 33 N 2.60 4.71 -0.20 3.70 1.01 -1.26 -0.68 120.40 130.27 3f6r s VAL 33 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3f6r s VAL 33 Cb -0.15 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3f6r s VAL 33 CO 0.16 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.81 3f6r s THR 34 N -0.07 3.16 -0.21 3.92 2.01 0.85 -4.97 115.64 120.33 3f6r s THR 34 Ca 0.06 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 3f6r s THR 34 Cb -0.12 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 3f6r s THR 34 CO 0.01 0.45 0.04 -0.22 -0.69 0.00 0.00 174.62 174.22 3f6r s LEU 35 N 1.27 3.49 -0.03 4.42 2.96 -1.26 0.03 118.68 129.57 3f6r s LEU 35 Ca 0.03 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3f6r s LEU 35 Cb -0.14 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3f6r s LEU 35 CO -0.03 0.06 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.25 3f6r s LEU 36 N 1.02 1.57 -0.24 -0.68 1.43 0.40 -4.99 118.68 117.18 3f6r s LEU 36 Ca 0.03 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 3f6r s LEU 36 Cb -0.14 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3f6r s LEU 36 CO 0.03 -0.01 1.18 0.21 0.23 0.00 0.00 176.35 177.99 3f6r s ASN 37 N 0.53 6.91 0.53 2.29 3.84 -1.26 -2.24 114.94 125.55 3f6r s ASN 37 Ca -0.07 1.37 0.44 0.00 0.21 0.00 0.00 52.86 54.81 3f6r s ASN 37 Cb -0.11 -2.54 1.65 0.00 -0.55 0.00 0.00 41.25 39.71 3f6r s ASN 37 CO 0.00 -0.84 1.61 0.00 -2.79 0.00 0.00 177.10 175.08 3f6r h ALA 38 N 8.26 3.52 -0.03 1.71 0.00 -1.46 0.68 119.26 131.94 3f6r h ALA 38 Ca -0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3f6r h ALA 38 Cb 1.08 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f6r h ALA 38 CO 1.00 -2.08 -0.06 0.00 0.00 0.00 0.00 179.25 178.11 3f6r h ALA 39 N 1.20 1.84 0.00 0.00 0.00 -1.80 -2.88 119.26 117.63 3f6r h ALA 39 Ca 0.87 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.64 3f6r h ALA 39 Cb 3.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 21.09 3f6r h ALA 39 CO -0.12 0.12 -1.51 -0.25 0.00 0.00 0.00 179.25 177.50 3f6r n ASP 40 N -4.44 0.53 -4.72 0.00 8.00 0.24 -4.99 116.55 111.17 3f6r n ASP 40 Ca -0.02 0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 3f6r n ASP 40 Cb 0.16 0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 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 -3.24 3.30 -0.19 2.24 0.00 -1.09 -5.05 121.76 117.74 3f6r s ALA 41 Ca -0.04 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 3f6r s ALA 41 Cb 0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3f6r s ALA 41 CO 0.83 -0.25 0.48 -1.54 0.00 0.00 0.00 175.76 175.28 3f6r s SER 42 N 0.56 6.54 0.29 0.00 1.04 -1.26 -4.99 113.70 115.88 3f6r s SER 42 Ca 0.52 0.64 0.10 0.00 0.48 0.00 0.00 55.95 57.70 3f6r s SER 42 Cb -0.26 -2.27 0.42 0.00 0.10 0.00 0.00 66.02 64.01 3f6r s SER 42 CO 0.30 -0.13 1.66 0.00 0.98 0.00 0.00 173.24 176.05 3f6r h ALA 43 N 7.35 1.06 -0.98 5.32 0.00 -1.94 -3.40 119.26 126.67 3f6r h ALA 43 Ca -0.35 -0.51 -0.64 0.00 0.00 0.00 0.00 54.91 53.41 3f6r h ALA 43 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3f6r h ALA 43 CO 0.73 0.69 1.46 -1.91 0.00 0.00 0.00 179.25 180.23 3f6r n GLU 44 N -3.89 0.92 -1.82 0.00 4.07 -1.26 -0.41 120.64 118.25 3f6r n GLU 44 Ca -0.01 0.22 -0.21 0.00 -0.06 0.00 0.00 57.16 57.10 3f6r n GLU 44 Cb 0.56 -2.41 -0.07 0.00 -0.06 0.00 0.00 31.44 29.47 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 10.29 -5.59 -0.27 4.31 5.15 -0.10 -4.85 115.26 124.21 3f6r n ASN 45 Ca 0.44 0.36 0.19 0.00 -0.60 0.00 0.00 54.58 54.97 3f6r n ASN 45 Cb 0.22 -4.82 0.50 0.00 -0.53 0.00 0.00 39.78 35.15 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 0.44 -1.02 1.20 5.85 -0.68 -2.05 115.31 119.05 3f6r h LEU 46 Ca -0.44 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3f6r h LEU 46 Cb 1.35 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3f6r h LEU 46 CO 0.61 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 3f6r n ALA 47 N -2.50 2.56 -2.23 1.25 0.00 -0.95 -4.91 120.51 113.74 3f6r n ALA 47 Ca 0.21 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3f6r n ALA 47 Cb 0.73 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3f6r n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f6r s ASP 48 N -1.91 6.86 0.00 0.00 2.15 -0.77 -2.32 116.67 120.67 3f6r s ASP 48 Ca 0.37 2.16 0.00 0.00 0.43 0.00 0.00 52.55 55.51 3f6r s ASP 48 Cb 0.20 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3f6r s ASP 48 CO 0.32 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 3f6r n GLY 49 N 3.57 3.27 3.73 2.66 0.00 -1.26 -5.06 105.19 112.10 3f6r n GLY 49 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.88 3.51 0.11 1.61 1.51 -0.98 -4.76 117.35 115.46 3f6r s TYR 50 Ca 0.00 0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 56.78 3f6r s TYR 50 Cb 0.00 -2.47 -0.16 0.00 -0.11 0.00 0.00 41.96 39.23 3f6r s TYR 50 CO 0.00 0.22 1.25 -0.44 -1.11 0.00 0.00 175.55 175.47 3f6r h ASP 51 N 6.57 0.68 -4.23 2.29 3.32 -0.71 -3.46 116.42 120.88 3f6r h ASP 51 Ca -0.42 -0.55 -0.32 0.00 0.02 0.00 0.00 57.03 55.76 3f6r h ASP 51 Cb 1.18 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 3f6r h ASP 51 CO 0.75 1.36 -0.73 0.00 -1.72 0.00 0.00 179.24 178.90 3f6r s ALA 52 N -3.25 1.25 -0.07 3.45 0.00 -1.07 -2.91 121.76 119.16 3f6r s ALA 52 Ca -0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 3f6r s ALA 52 Cb 0.08 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3f6r s ALA 52 CO 0.89 -0.06 0.00 0.08 0.00 0.00 0.00 175.76 176.67 3f6r s VAL 53 N -2.81 0.34 -0.19 0.00 1.01 -0.48 -1.93 120.40 116.34 3f6r s VAL 53 Ca 0.10 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 3f6r s VAL 53 Cb -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3f6r s VAL 53 CO 0.00 0.25 0.10 -0.76 0.00 0.00 0.00 175.10 174.69 3f6r s LEU 54 N 1.94 4.02 -0.18 3.92 1.43 0.13 -2.64 118.68 127.30 3f6r s LEU 54 Ca 0.04 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3f6r s LEU 54 Cb -0.12 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3f6r s LEU 54 CO -0.05 0.18 -0.05 -0.36 0.23 0.00 0.00 176.35 176.30 3f6r s PHE 55 N 0.37 2.97 -0.08 0.29 0.40 -0.36 -0.93 117.98 120.64 3f6r s PHE 55 Ca 0.06 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 3f6r s PHE 55 Cb -0.12 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 3f6r s PHE 55 CO -0.01 -0.23 -0.11 0.20 0.70 0.00 0.00 175.22 175.76 3f6r s GLY 56 N 0.77 1.59 -0.29 4.36 0.00 0.12 -0.61 107.32 113.26 3f6r s GLY 56 Ca -0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 3f6r s GLY 56 CO 0.02 -0.57 0.98 0.00 0.00 0.00 0.00 173.10 173.53 3f6r s SER 58 N 1.84 6.56 -0.03 0.00 1.04 -1.22 -4.56 113.70 117.33 3f6r s SER 58 Ca -0.06 1.51 -0.02 0.00 0.48 0.00 0.00 55.95 57.86 3f6r s SER 58 Cb -0.05 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 3f6r s SER 58 CO -0.16 -0.61 0.09 0.00 0.98 0.00 0.00 173.24 173.54 3f6r s ALA 59 N -2.67 3.62 0.00 5.32 0.00 -1.26 -2.05 121.76 124.72 3f6r s ALA 59 Ca 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3f6r s ALA 59 Cb -0.10 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3f6r s ALA 59 CO 0.34 0.67 0.00 0.91 0.00 0.00 0.00 175.76 177.68 3f6r n TRP 60 N 1.41 0.00 -0.08 0.00 7.02 0.15 -4.93 117.44 121.00 3f6r n TRP 60 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 3f6r n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.71 -2.25 0.19 6.99 0.00 -1.26 -2.63 105.19 106.95 3f6r n GLY 61 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.40 0.00 1.61 4.05 -1.99 -3.44 114.93 115.57 3f6r h MET 62 Ca 0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 3f6r h MET 62 Cb 0.00 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3f6r h MET 62 CO 0.00 0.86 0.00 0.39 0.23 0.00 0.00 176.91 178.39 3f6r n GLU 63 N -3.93 0.00 -0.46 0.39 1.02 -1.26 -5.08 120.64 111.32 3f6r n GLU 63 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3f6r n GLU 63 Cb 0.60 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.14 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 -1.51 -4.70 1.62 3.85 -1.26 -4.98 116.55 109.57 3f6r n ASP 64 Ca 0.00 -0.79 -0.40 0.00 -0.71 0.00 0.00 54.79 52.89 3f6r n ASP 64 Cb 0.00 -0.45 -0.05 0.00 -1.35 0.00 0.00 41.12 39.28 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 4.25 -0.10 -2.12 1.98 -1.26 -4.43 118.68 117.00 3f6r s LEU 65 Ca 0.32 1.11 0.03 0.00 -2.89 0.00 0.00 54.13 52.70 3f6r s LEU 65 Cb -0.03 -3.07 0.00 0.00 0.66 0.00 0.00 46.19 43.75 3f6r s LEU 65 CO 0.24 -0.21 -0.21 -1.61 -1.89 0.00 0.00 176.35 172.67 3f6r s GLU 66 N 1.31 2.77 0.57 1.98 2.02 -1.08 -4.94 118.70 121.32 3f6r s GLU 66 Ca 0.36 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.40 3f6r s GLU 66 Cb -0.17 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 3f6r s GLU 66 CO 0.15 0.13 1.05 -1.64 0.02 0.00 0.00 175.26 174.97 3f6r s MET 67 N 0.46 3.45 0.23 1.61 -1.94 -1.26 0.30 119.30 122.16 3f6r s MET 67 Ca -0.17 1.23 -0.31 0.00 -1.71 0.00 0.00 55.69 54.73 3f6r s MET 67 Cb -0.17 -2.05 -0.13 0.00 2.01 0.00 0.00 34.83 34.48 3f6r s MET 67 CO 0.07 -0.70 1.44 0.94 -0.01 0.00 0.00 175.02 176.76 3f6r n GLN 68 N -1.77 2.10 0.26 2.03 0.00 -0.87 -4.75 117.38 114.37 3f6r n GLN 68 Ca 0.09 0.75 0.15 0.00 -0.00 0.00 0.00 57.00 57.99 3f6r n GLN 68 Cb 0.53 -2.43 0.57 0.00 0.00 0.00 0.00 30.24 28.91 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 4.48 0.00 0.24 1.69 1.82 -1.94 -0.85 116.42 121.86 3f6r h ASP 69 Ca -0.45 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 55.97 3f6r h ASP 69 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3f6r h ASP 69 CO 0.78 0.04 -0.88 0.44 -1.61 0.00 0.00 179.24 178.01 3f6r h ASP 70 N 0.00 0.59 -0.04 2.28 3.32 -1.96 -3.17 116.42 117.45 3f6r h ASP 70 Ca -0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3f6r h ASP 70 Cb 0.63 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 3f6r h ASP 70 CO 0.01 1.23 -0.05 0.15 -1.72 0.00 0.00 179.24 178.85 3f6r h PHE 71 N 0.29 0.12 -0.89 4.55 3.57 -1.66 -3.29 116.94 119.63 3f6r h PHE 71 Ca -0.07 -0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.58 3f6r h PHE 71 Cb 1.51 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 40.11 3f6r h PHE 71 CO 0.06 0.61 0.43 1.25 -2.23 0.00 0.00 178.31 178.43 3f6r h LEU 72 N -0.40 0.44 -1.48 0.59 5.85 -1.28 0.56 115.31 119.60 3f6r h LEU 72 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3f6r h LEU 72 Cb 0.59 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3f6r h LEU 72 CO 0.01 0.09 -0.05 0.28 -0.34 0.00 0.00 178.44 178.44 3f6r h SER 73 N 0.50 0.26 0.95 1.25 0.02 -1.64 -1.35 113.55 113.55 3f6r h SER 73 Ca 0.53 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.22 3f6r h SER 73 Cb 0.92 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 3f6r h SER 73 CO -0.46 0.35 -1.06 0.25 -1.14 0.00 0.00 176.83 174.77 3f6r h LEU 74 N 0.27 0.02 -0.59 5.07 5.85 -0.56 -3.33 115.31 122.04 3f6r h LEU 74 Ca 0.06 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3f6r h LEU 74 Cb 0.27 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3f6r h LEU 74 CO 0.01 1.01 0.18 0.15 -0.34 0.00 0.00 178.44 179.45 3f6r h PHE 75 N 0.00 0.96 -0.88 1.25 3.57 0.91 -1.19 116.94 121.56 3f6r h PHE 75 Ca -0.03 -0.10 0.24 0.00 3.53 0.00 0.00 57.97 61.61 3f6r h PHE 75 Cb 1.79 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 3f6r h PHE 75 CO 0.00 0.80 0.62 1.49 -2.23 0.00 0.00 178.31 178.99 3f6r h GLU 76 N 0.85 0.11 -0.67 1.11 4.81 -1.39 -2.19 114.58 117.21 3f6r h GLU 76 Ca 0.19 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3f6r h GLU 76 Cb 0.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3f6r h GLU 76 CO -0.00 0.08 0.00 0.39 -0.73 0.00 0.00 179.01 178.74 3f6r n GLU 77 N -4.35 3.23 0.07 1.92 -0.58 -0.47 -4.50 120.64 115.97 3f6r n GLU 77 Ca 0.18 -2.75 0.21 0.00 -0.42 0.00 0.00 57.16 54.39 3f6r n GLU 77 Cb 0.87 -1.71 0.73 0.00 -0.57 0.00 0.00 31.44 30.76 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 4.03 0.00 0.00 -0.32 -1.00 -1.23 -0.75 116.94 117.67 3f6r h PHE 78 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3f6r h PHE 78 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 3f6r h PHE 78 CO 0.61 0.00 -0.09 -0.44 -1.61 0.00 0.00 178.31 176.78 3f6r h ASP 79 N 0.00 0.00 -0.02 2.17 3.32 -1.84 -2.48 116.42 117.57 3f6r h ASP 79 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3f6r h ASP 79 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3f6r h ASP 79 CO -0.00 0.09 -0.32 0.54 -1.72 0.00 0.00 179.24 177.83 3f6r n ARG 80 N -3.92 1.57 -0.06 3.56 1.74 -0.29 -4.56 116.66 114.71 3f6r n ARG 80 Ca -0.02 -1.30 -0.15 0.00 -0.77 0.00 0.00 57.85 55.61 3f6r n ARG 80 Cb 0.19 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 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 3.18 1.33 0.00 0.55 2.04 -1.47 -0.23 117.51 122.91 3f6r h ILE 81 Ca 0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3f6r h ILE 81 Cb 0.84 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3f6r h ILE 81 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.26 3f6r n GLY 82 N 0.44 0.94 0.10 5.37 0.00 -1.26 -2.24 105.19 108.54 3f6r n GLY 82 Ca -0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.34 -4.69 0.99 4.77 -1.26 -4.78 117.00 112.37 3f6r n LEU 83 Ca 0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3f6r n LEU 83 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3f6r n LEU 83 CO 0.00 0.06 1.27 0.00 -1.33 0.00 0.00 177.39 177.39 3f6r s ALA 84 N -2.28 3.67 0.00 -1.18 0.00 -1.17 -2.21 121.76 118.59 3f6r s ALA 84 Ca 0.36 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3f6r s ALA 84 Cb 0.21 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3f6r s ALA 84 CO 0.42 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3f6r n GLY 85 N 3.89 0.98 3.89 0.00 0.00 -0.18 -4.94 105.19 108.84 3f6r n GLY 85 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.03 3.22 0.27 1.61 0.52 -0.94 -4.89 118.95 118.71 3f6r s ARG 86 Ca 0.00 -0.75 -0.22 0.00 -0.52 0.00 0.00 55.73 54.24 3f6r s ARG 86 Cb 0.00 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 3f6r s ARG 86 CO 0.00 0.49 0.82 0.15 0.02 0.00 0.00 175.30 176.78 3f6r s LYS 87 N -3.34 4.39 0.04 3.54 1.02 -1.14 -1.26 119.74 122.98 3f6r s LYS 87 Ca 0.33 1.07 -0.08 0.00 0.02 0.00 0.00 55.97 57.31 3f6r s LYS 87 Cb -0.10 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3f6r s LYS 87 CO 0.27 0.33 0.15 0.08 -0.92 0.00 0.00 175.35 175.26 3f6r s VAL 88 N -1.59 0.12 0.11 3.17 1.01 0.53 -1.38 120.40 122.38 3f6r s VAL 88 Ca 0.47 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3f6r s VAL 88 Cb -0.17 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.30 3f6r s VAL 88 CO 0.22 -0.56 0.46 0.00 0.00 0.00 0.00 175.10 175.22 3f6r s ALA 89 N -2.70 -1.12 0.16 5.51 0.00 -1.08 0.07 121.76 122.59 3f6r s ALA 89 Ca -0.04 0.20 0.10 0.00 0.00 0.00 0.00 51.96 52.21 3f6r s ALA 89 Cb -0.00 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3f6r s ALA 89 CO -0.05 -0.62 -0.21 0.00 0.00 0.00 0.00 175.76 174.88 3f6r s ALA 90 N -3.39 2.15 0.13 0.00 0.00 -1.26 -1.22 121.76 118.17 3f6r s ALA 90 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3f6r s ALA 90 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3f6r s ALA 90 CO -0.09 0.35 0.24 -0.59 0.00 0.00 0.00 175.76 175.67 3f6r s PHE 91 N -1.64 0.30 -0.04 0.00 -0.71 0.22 -1.14 117.98 114.97 3f6r s PHE 91 Ca 0.15 -0.69 -0.29 0.00 -1.04 0.00 0.00 56.93 55.06 3f6r s PHE 91 Cb -0.08 -0.07 0.10 0.00 -1.21 0.00 0.00 43.02 41.77 3f6r s PHE 91 CO 0.07 -0.64 0.88 0.00 -1.34 0.00 0.00 175.22 174.19 3f6r s ALA 92 N -3.92 -1.83 -0.05 1.99 0.00 -0.81 -2.16 121.76 114.97 3f6r s ALA 92 Ca 0.12 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 3f6r s ALA 92 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3f6r s ALA 92 CO -0.05 -0.56 0.15 0.45 0.00 0.00 0.00 175.76 175.75 3f6r s SER 93 N -2.01 6.24 0.00 0.00 0.15 -1.26 -3.06 113.70 113.76 3f6r s SER 93 Ca 0.01 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3f6r s SER 93 Cb -0.01 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 3f6r s SER 93 CO -0.05 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.32 3f6r n GLY 94 N 1.39 2.95 2.66 9.45 0.00 0.10 -4.39 105.19 117.35 3f6r n GLY 94 Ca -0.15 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 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 0.15 3.15 0.46 1.61 2.15 -1.26 -4.11 116.67 118.81 3f6r s ASP 95 Ca 0.00 -1.04 0.30 0.00 0.43 0.00 0.00 52.55 52.24 3f6r s ASP 95 Cb 0.00 -0.52 1.39 0.00 -0.30 0.00 0.00 42.92 43.49 3f6r s ASP 95 CO 0.00 -0.37 1.70 1.56 -0.17 0.00 0.00 175.17 177.89 3f6r h GLN 96 N 8.29 0.14 0.00 4.34 1.08 -1.98 0.49 115.11 127.47 3f6r h GLN 96 Ca -0.16 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3f6r h GLN 96 Cb 1.08 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3f6r h GLN 96 CO 0.38 0.10 0.00 0.39 -0.95 0.00 0.00 178.83 178.74 3f6r n GLU 97 N -4.49 0.16 -4.00 1.46 1.02 -1.26 -4.64 120.64 108.88 3f6r n GLU 97 Ca 0.32 0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 57.34 3f6r n GLU 97 Cb 1.30 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 31.19 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 -2.22 3.38 0.03 -0.32 1.51 0.16 -5.05 117.35 114.84 3f6r s TYR 98 Ca 0.08 -0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.89 3f6r s TYR 98 Cb 0.04 -1.54 -0.15 0.00 -0.11 0.00 0.00 41.96 40.21 3f6r s TYR 98 CO 0.08 0.45 1.38 1.49 -1.11 0.00 0.00 175.55 177.84 3f6r h GLU 99 N 1.24 0.27 -3.67 -0.62 4.81 -1.86 -3.37 114.58 111.37 3f6r h GLU 99 Ca -0.51 -0.12 -0.77 0.00 -0.13 0.00 0.00 59.36 57.82 3f6r h GLU 99 Cb 1.23 -0.01 -0.29 0.00 0.63 0.00 0.00 28.75 30.32 3f6r h GLU 99 CO 0.61 0.62 0.12 -1.01 -0.73 0.00 0.00 179.01 178.62 3f6r s HIS 100 N -4.51 3.88 -0.00 0.92 3.76 -1.26 -5.04 115.29 113.04 3f6r s HIS 100 Ca -0.14 -2.39 -0.30 0.00 -0.15 0.00 0.00 55.06 52.07 3f6r s HIS 100 Cb 0.05 -3.69 -0.07 0.00 1.11 0.00 0.00 32.58 29.98 3f6r s HIS 100 CO 0.73 -0.93 1.75 0.12 -0.85 0.00 0.00 174.74 175.56 3f6r s PHE 101 N -0.43 1.84 -1.40 1.40 5.36 -1.26 -2.52 117.98 120.96 3f6r s PHE 101 Ca 0.22 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 56.09 3f6r s PHE 101 Cb -0.11 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.55 3f6r s PHE 101 CO -0.08 -4.41 0.33 0.00 -1.46 0.00 0.00 175.22 169.59 3f6r h GLY 103 N -2.05 0.00 2.00 0.00 0.00 -1.87 -1.94 103.07 99.21 3f6r h GLY 103 Ca -0.67 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 3f6r h GLY 103 CO 0.62 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.94 3f6r h ALA 104 N 2.00 1.21 -0.01 3.60 0.00 -1.88 -3.16 119.26 121.03 3f6r h ALA 104 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f6r h ALA 104 Cb 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f6r h ALA 104 CO 0.00 0.28 -0.00 0.28 0.00 0.00 0.00 179.25 179.81 3f6r h VAL 105 N 0.00 1.27 0.00 0.00 2.07 -1.62 -0.99 116.25 116.98 3f6r h VAL 105 Ca -0.00 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3f6r h VAL 105 Cb 0.56 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3f6r h VAL 105 CO 0.03 0.21 -0.42 1.55 0.02 0.00 0.00 177.57 178.96 3f6r h PRO 106 N -0.33 0.00 -0.28 1.57 0.13 -1.73 -2.20 132.00 129.16 3f6r h PRO 106 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3f6r h PRO 106 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3f6r h PRO 106 CO 0.00 0.42 0.04 0.00 -0.23 0.00 0.00 178.00 178.23 3f6r h ALA 107 N 1.58 0.37 -0.20 -0.56 0.00 -1.51 -2.29 119.26 116.65 3f6r h ALA 107 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f6r h ALA 107 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3f6r h ALA 107 CO 0.06 0.07 0.13 0.82 0.00 0.00 0.00 179.25 180.32 3f6r h ILE 108 N 0.28 1.07 -0.65 0.00 2.04 -1.08 -2.09 117.51 117.08 3f6r h ILE 108 Ca 0.08 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3f6r h ILE 108 Cb 0.35 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3f6r h ILE 108 CO 0.01 0.07 0.43 -0.33 0.00 0.00 0.00 178.15 178.33 3f6r h GLU 109 N 0.25 0.51 0.22 2.37 5.08 -1.27 -0.45 114.58 121.30 3f6r h GLU 109 Ca 0.07 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 58.07 3f6r h GLU 109 Cb 0.00 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.17 3f6r h GLU 109 CO -0.01 0.34 -1.49 0.93 -1.00 0.00 0.00 179.01 177.78 3f6r h GLU 110 N 0.52 0.48 -0.22 2.33 5.08 -1.08 -2.09 114.58 119.59 3f6r h GLU 110 Ca 0.30 -0.81 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 3f6r h GLU 110 Cb 0.47 0.30 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3f6r h GLU 110 CO -0.09 1.38 -0.16 -0.09 -1.00 0.00 0.00 179.01 179.06 3f6r h ARG 111 N 0.13 0.38 -0.36 2.33 9.65 -1.03 -2.13 114.38 123.35 3f6r h ARG 111 Ca -0.25 -0.11 -0.16 0.00 -1.10 0.00 0.00 59.98 58.37 3f6r h ARG 111 Cb 2.13 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.67 3f6r h ARG 111 CO 0.25 0.53 -0.38 0.00 2.80 0.00 0.00 179.97 183.17 3f6r h ALA 112 N 1.49 0.53 -0.36 2.80 0.00 -1.06 -2.70 119.26 119.97 3f6r h ALA 112 Ca 0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3f6r h ALA 112 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3f6r h ALA 112 CO 0.03 0.63 -0.35 0.87 0.00 0.00 0.00 179.25 180.43 3f6r h LYS 113 N 0.70 0.88 0.00 0.00 1.57 -1.28 0.25 116.57 118.69 3f6r h LYS 113 Ca 0.05 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3f6r h LYS 113 Cb 0.98 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3f6r h LYS 113 CO 0.09 1.10 -0.04 0.93 -0.57 0.00 0.00 179.45 180.97 3f6r h GLU 114 N 0.68 0.00 -0.25 3.15 5.08 -1.36 -1.28 114.58 120.60 3f6r h GLU 114 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3f6r h GLU 114 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3f6r h GLU 114 CO 0.09 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.42 3f6r n LEU 115 N -3.44 2.90 0.00 1.33 4.77 -1.02 -4.92 117.00 116.62 3f6r n LEU 115 Ca -0.02 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3f6r n LEU 115 Cb 0.16 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3f6r n LEU 115 CO 0.26 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3f6r n GLY 116 N 1.38 1.01 3.89 -0.72 0.00 -0.48 -3.05 105.19 107.23 3f6r n GLY 116 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 3.43 -0.18 4.61 0.00 0.05 -1.01 121.76 126.67 3f6r s ALA 117 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 3f6r s ALA 117 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3f6r s ALA 117 CO 0.00 -0.01 -0.00 0.99 0.00 0.00 0.00 175.76 176.74 3f6r s THR 118 N -2.37 4.10 -0.36 0.00 2.01 -0.39 -4.24 115.64 114.39 3f6r s THR 118 Ca 0.49 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 3f6r s THR 118 Cb -0.10 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.60 3f6r s THR 118 CO 0.33 0.46 1.12 -0.63 -0.69 0.00 0.00 174.62 175.21 3f6r s ILE 119 N 0.63 4.38 0.06 1.82 -1.09 -1.26 -0.34 121.20 125.41 3f6r s ILE 119 Ca -0.00 1.55 -0.19 0.00 -2.23 0.00 0.00 60.65 59.78 3f6r s ILE 119 Cb -0.14 -4.43 -0.12 0.00 -1.58 0.00 0.00 42.46 36.19 3f6r s ILE 119 CO 0.02 -0.62 1.40 0.40 -1.23 0.00 0.00 174.94 174.92 3f6r h ILE 120 N 5.89 1.32 -3.86 2.92 2.04 -0.73 -3.47 117.51 121.61 3f6r h ILE 120 Ca -0.22 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.32 3f6r h ILE 120 Cb 1.06 1.68 -0.14 0.00 -0.74 0.00 0.00 36.82 38.69 3f6r h ILE 120 CO 1.06 0.37 -0.39 0.00 0.00 0.00 0.00 178.15 179.19 3f6r s ALA 121 N -4.49 -0.13 0.13 1.87 0.00 -1.26 -4.85 121.76 113.04 3f6r s ALA 121 Ca -0.14 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 3f6r s ALA 121 Cb 0.06 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.64 3f6r s ALA 121 CO 0.77 -0.52 1.31 -1.21 0.00 0.00 0.00 175.76 176.11 3f6r s GLU 122 N -3.88 4.38 0.11 0.00 2.02 -1.26 -4.67 118.70 115.39 3f6r s GLU 122 Ca 0.07 1.99 -0.35 0.00 0.02 0.00 0.00 54.97 56.70 3f6r s GLU 122 Cb 0.05 -3.25 -0.17 0.00 0.10 0.00 0.00 34.13 30.85 3f6r s GLU 122 CO -0.09 -0.32 1.13 0.41 0.02 0.00 0.00 175.26 176.40 3f6r n GLY 123 N 3.03 -0.09 3.69 -1.39 0.00 -1.26 -4.89 105.19 104.28 3f6r n GLY 123 Ca 0.09 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 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 0.66 4.27 -0.15 0.99 2.96 -0.29 -4.96 118.68 122.15 3f6r s LEU 124 Ca 0.80 1.79 -0.00 0.00 -0.22 0.00 0.00 54.13 56.50 3f6r s LEU 124 Cb -1.00 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 42.17 3f6r s LEU 124 CO 0.52 -0.58 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.34 3f6r s LYS 125 N 2.25 1.79 0.30 1.98 1.02 -1.26 -1.93 119.74 123.89 3f6r s LYS 125 Ca 0.55 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.93 3f6r s LYS 125 Cb -0.24 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3f6r s LYS 125 CO 0.21 -0.33 0.53 0.00 -0.92 0.00 0.00 175.35 174.84 3f6r s MET 126 N 1.58 1.76 0.08 1.68 0.23 -1.17 -5.05 119.30 118.40 3f6r s MET 126 Ca 0.03 -1.41 0.04 0.00 -1.03 0.00 0.00 55.69 53.32 3f6r s MET 126 Cb -0.14 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 3f6r s MET 126 CO -0.09 -0.75 -0.01 -1.21 -2.03 0.00 0.00 175.02 170.94 3f6r s GLU 127 N -3.50 2.56 2.32 3.16 2.02 -1.26 0.01 118.70 124.02 3f6r s GLU 127 Ca 0.23 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3f6r s GLU 127 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3f6r s GLU 127 CO 0.12 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.37 3f6r n GLY 128 N 0.70 -0.71 2.19 -1.39 0.00 -1.26 -4.67 105.19 100.06 3f6r n GLY 128 Ca -0.11 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.96 0.39 0.06 1.61 3.85 -1.26 -4.73 116.55 115.51 3f6r n ASP 129 Ca 0.00 -1.45 0.02 0.00 -0.71 0.00 0.00 54.79 52.65 3f6r n ASP 129 Cb 0.00 -0.48 0.37 0.00 -1.35 0.00 0.00 41.12 39.66 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 -1.25 1.51 0.00 2.12 0.00 -1.81 -2.25 119.26 117.57 3f6r h ALA 130 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3f6r h ALA 130 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3f6r h ALA 130 CO 0.19 0.36 0.00 0.77 0.00 0.00 0.00 179.25 180.56 3f6r h SER 131 N 0.37 0.00 1.55 0.00 0.02 -1.94 -2.91 113.55 110.65 3f6r h SER 131 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3f6r h SER 131 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3f6r h SER 131 CO 0.01 0.00 -0.12 -1.13 -1.14 0.00 0.00 176.83 174.45 3f6r h ASN 132 N 0.00 0.00 0.00 3.07 -0.73 -1.71 -3.40 115.58 112.82 3f6r h ASN 132 Ca 0.00 -0.02 -0.23 0.00 1.87 0.00 0.00 56.30 57.91 3f6r h ASN 132 Cb 0.39 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.83 3f6r h ASN 132 CO 0.00 0.01 -0.42 -0.67 -0.37 0.00 0.00 177.43 175.98 3f6r n ASP 133 N -2.53 -2.34 -0.31 1.15 2.03 -1.11 -5.01 116.55 108.43 3f6r n ASP 133 Ca 0.05 -3.62 0.08 0.00 0.52 0.00 0.00 54.79 51.82 3f6r n ASP 133 Cb 0.47 1.91 0.29 0.00 -0.72 0.00 0.00 41.12 43.07 3f6r n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3f6r h PRO 134 N 3.02 0.86 0.23 -0.67 0.13 -1.75 -2.19 132.00 131.63 3f6r h PRO 134 Ca -0.11 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 3f6r h PRO 134 Cb 1.10 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 3f6r h PRO 134 CO 0.13 0.57 -0.49 0.93 -0.23 0.00 0.00 178.00 178.91 3f6r h GLU 135 N 0.88 -0.77 -0.63 0.86 4.39 -1.95 0.36 114.58 117.72 3f6r h GLU 135 Ca 0.46 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.31 3f6r h GLU 135 Cb 0.52 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 3f6r h GLU 135 CO -0.22 -0.51 0.23 0.00 -1.16 0.00 0.00 179.01 177.34 3f6r h ALA 136 N -0.52 0.81 0.39 3.43 0.00 -1.81 0.38 119.26 121.92 3f6r h ALA 136 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3f6r h ALA 136 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3f6r h ALA 136 CO -0.22 -0.20 -0.19 0.28 0.00 0.00 0.00 179.25 178.92 3f6r h VAL 137 N 0.40 0.62 -0.73 0.00 2.07 -1.28 -2.27 116.25 115.06 3f6r h VAL 137 Ca 0.32 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.84 3f6r h VAL 137 Cb 0.41 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 3f6r h VAL 137 CO -0.33 0.02 0.40 0.00 0.02 0.00 0.00 177.57 177.68 3f6r h ALA 138 N 0.03 1.02 -0.60 1.67 0.00 0.65 -1.62 119.26 120.41 3f6r h ALA 138 Ca -0.05 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3f6r h ALA 138 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3f6r h ALA 138 CO 0.09 0.04 0.00 1.03 0.00 0.00 0.00 179.25 180.41 3f6r h SER 139 N 0.70 1.02 -0.19 0.00 0.87 -0.27 -0.92 113.55 114.76 3f6r h SER 139 Ca 0.35 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 3f6r h SER 139 Cb 0.30 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3f6r h SER 139 CO -0.23 1.07 -0.21 0.15 -0.53 0.00 0.00 176.83 177.08 3f6r h PHE 140 N 0.96 0.71 -0.12 2.24 3.57 -0.88 -0.84 116.94 122.58 3f6r h PHE 140 Ca 0.17 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 3f6r h PHE 140 Cb 0.55 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3f6r h PHE 140 CO 0.04 0.80 -0.41 0.00 -2.23 0.00 0.00 178.31 176.51 3f6r h ALA 141 N 1.20 1.09 0.50 2.41 0.00 -1.08 -1.93 119.26 121.46 3f6r h ALA 141 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3f6r h ALA 141 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3f6r h ALA 141 CO 0.05 0.59 -0.24 0.93 0.00 0.00 0.00 179.25 180.58 3f6r h GLU 142 N 0.22 -0.64 -0.47 0.00 5.08 -0.28 0.77 114.58 119.25 3f6r h GLU 142 Ca 0.02 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3f6r h GLU 142 Cb 0.82 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 3f6r h GLU 142 CO 0.06 -0.42 -0.10 -0.44 -1.00 0.00 0.00 179.01 177.11 3f6r h ASP 143 N -0.68 -0.40 0.66 1.42 5.19 -1.13 -1.92 116.42 119.57 3f6r h ASP 143 Ca -0.07 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3f6r h ASP 143 Cb 0.52 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 3f6r h ASP 143 CO 0.11 -0.14 -0.49 0.58 -3.12 0.00 0.00 179.24 176.18 3f6r h VAL 144 N 0.02 0.00 -0.89 -1.35 2.07 -1.20 -3.07 116.25 111.82 3f6r h VAL 144 Ca 0.23 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.99 3f6r h VAL 144 Cb 0.35 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.98 3f6r h VAL 144 CO -0.47 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.34 3f6r h LEU 145 N -1.10 0.10 -1.51 2.57 3.38 -0.50 0.29 115.31 118.54 3f6r h LEU 145 Ca -0.09 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3f6r h LEU 145 Cb 0.91 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3f6r h LEU 145 CO 0.03 -0.13 -0.04 0.11 0.09 0.00 0.00 178.44 178.51 3f6r h LYS 146 N 0.25 0.00 -0.02 1.13 1.79 -1.27 -2.45 116.57 116.00 3f6r h LYS 146 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3f6r h LYS 146 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3f6r h LYS 146 CO -0.63 0.04 -0.06 1.04 -1.08 0.00 0.00 179.45 178.76 3f6r n GLN 147 N -3.15 1.78 0.00 3.15 1.13 0.08 -5.12 117.38 115.25 3f6r n GLN 147 Ca 0.00 -1.25 0.15 0.00 -1.94 0.00 0.00 57.00 53.96 3f6r n GLN 147 Cb 0.31 -1.47 0.77 0.00 0.11 0.00 0.00 30.24 29.95 3f6r n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90