#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7u s TYR 7 N -3.47 3.39 0.29 0.00 2.02 -1.26 -3.59 117.35 114.73 3f7u s TYR 7 Ca 0.17 0.29 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 3f7u s TYR 7 Cb -0.04 -2.03 0.58 0.00 -0.40 0.00 0.00 41.96 40.07 3f7u s TYR 7 CO 0.10 -0.04 1.85 0.93 -1.57 0.00 0.00 175.55 176.82 3f7u h GLU 8 N 0.64 0.94 0.00 -0.62 3.07 -1.88 0.11 114.58 116.84 3f7u h GLU 8 Ca -0.48 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 3f7u h GLU 8 Cb 1.23 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3f7u h GLU 8 CO 0.60 0.62 -0.11 -0.24 -1.40 0.00 0.00 179.01 178.48 3f7u h VAL 9 N 0.97 0.64 0.01 3.13 3.04 -1.92 -2.15 116.25 119.97 3f7u h VAL 9 Ca 0.48 -0.45 -0.25 0.00 -1.01 0.00 0.00 66.70 65.46 3f7u h VAL 9 Cb 0.47 1.28 0.01 0.00 -2.01 0.00 0.00 31.29 31.05 3f7u h VAL 9 CO -0.24 0.10 -1.02 1.56 -1.01 0.00 0.00 177.57 176.97 3f7u h GLN 10 N 0.00 0.60 -0.10 4.17 4.20 -1.16 -3.05 115.11 119.77 3f7u h GLN 10 Ca -0.00 -0.65 -0.08 0.00 0.06 0.00 0.00 58.65 57.98 3f7u h GLN 10 Cb 0.27 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3f7u h GLN 10 CO 0.01 1.25 -0.31 0.00 -0.67 0.00 0.00 178.83 179.12 3f7u h ALA 11 N 0.52 1.30 0.00 3.87 0.00 -1.46 -2.29 119.26 121.20 3f7u h ALA 11 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3f7u h ALA 11 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3f7u h ALA 11 CO 0.19 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.32 3f7u n GLU 11 N -4.12 0.00 0.00 0.00 1.02 -0.84 -5.04 120.64 111.67 3f7u n GLU 11 Ca -0.01 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3f7u n GLU 11 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3f7u n GLU 11 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3f7u n SER 11 N -1.50 0.71 0.00 1.62 3.41 -0.86 -5.11 113.62 111.90 3f7u n SER 11 Ca 0.02 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 3f7u n SER 11 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3f7u n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f7u s LEU 11 N 0.00 5.33 0.76 0.00 2.96 -1.26 -4.93 118.68 121.54 3f7u s LEU 11 Ca 0.00 -1.08 -0.11 0.00 -0.22 0.00 0.00 54.13 52.72 3f7u s LEU 11 Cb 0.00 -2.19 0.05 0.00 0.50 0.00 0.00 46.19 44.54 3f7u s LEU 11 CO 0.00 -0.56 1.08 0.68 -1.32 0.00 0.00 176.35 176.23 3f7u s VAL 12 N 1.72 3.49 0.25 1.68 -7.23 -1.26 -0.96 120.40 118.09 3f7u s VAL 12 Ca 0.05 0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 3f7u s VAL 12 Cb -0.21 -3.18 0.24 0.00 0.56 0.00 0.00 36.38 33.78 3f7u s VAL 12 CO 0.09 -0.63 1.83 -0.65 -0.31 0.00 0.00 175.10 175.43 3f7u h PRO 13 N -0.96 0.90 0.00 4.82 0.11 -1.91 0.07 132.00 135.03 3f7u h PRO 13 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3f7u h PRO 13 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3f7u h PRO 13 CO 0.57 0.59 0.00 1.33 -0.21 0.00 0.00 178.00 180.28 3f7u n VAL 14 N -4.66 0.96 0.53 3.15 0.24 -1.26 -1.65 118.33 115.64 3f7u n VAL 14 Ca 0.15 0.40 0.06 0.00 -2.04 0.00 0.00 64.34 62.91 3f7u n VAL 14 Cb 0.26 -1.35 0.03 0.00 -1.47 0.00 0.00 33.84 31.31 3f7u n VAL 14 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3f7u n LYS 15 N -2.16 1.22 -1.59 7.34 5.02 -0.03 -5.02 118.16 122.94 3f7u n LYS 15 Ca 0.01 -1.02 -0.44 0.00 -2.02 0.00 0.00 58.31 54.84 3f7u n LYS 15 Cb 0.15 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3f7u n LYS 15 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3f7u n TRP 16 N 0.35 1.17 -2.29 2.13 8.01 -0.66 -4.92 117.44 121.23 3f7u n TRP 16 Ca 0.06 0.67 0.00 0.00 -1.31 0.00 0.00 57.50 56.92 3f7u n TRP 16 Cb 0.29 -2.23 0.00 0.00 -2.01 0.00 0.00 31.31 27.36 3f7u n TRP 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f7u n GLY 20 N 1.23 4.85 7.00 6.99 0.00 -1.26 -4.58 105.19 119.42 3f7u n GLY 20 Ca 0.09 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3f7u n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 21 N 5.00 0.84 0.30 -0.02 0.00 -1.26 -2.62 105.19 107.43 3f7u n GLY 21 Ca 0.00 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.44 3f7u n GLY 21 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f7u h ASN 22 N 8.90 0.00 -0.12 1.61 2.35 -1.89 -2.19 115.58 124.23 3f7u h ASN 22 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3f7u h ASN 22 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3f7u h ASN 22 CO 0.00 0.00 0.30 0.00 -1.65 0.00 0.00 177.43 176.08 3f7u n GLN 24 N -3.26 1.01 -1.59 0.00 6.02 -0.82 -4.93 117.38 113.80 3f7u n GLN 24 Ca 0.01 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.82 3f7u n GLN 24 Cb 0.39 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.23 3f7u n GLN 24 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3f7u n LYS 25 N -0.96 0.02 0.00 -1.09 5.02 -0.72 -5.00 118.16 115.43 3f7u n LYS 25 Ca 0.24 -1.46 0.10 0.00 -2.02 0.00 0.00 58.31 55.16 3f7u n LYS 25 Cb 0.12 -0.45 -0.01 0.00 -0.02 0.00 0.00 35.03 34.67 3f7u n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f7u n ASP 26 N -3.05 1.85 -2.83 4.39 8.00 -1.26 -4.46 116.55 119.19 3f7u n ASP 26 Ca 0.09 -1.43 -0.24 0.00 0.71 0.00 0.00 54.79 53.92 3f7u n ASP 26 Cb 0.33 0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.92 3f7u n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f7u n ARG 27 N -0.14 2.81 -2.87 -1.24 1.74 -1.26 -4.69 116.66 111.02 3f7u n ARG 27 Ca 0.08 -4.44 -0.22 0.00 -0.77 0.00 0.00 57.85 52.50 3f7u n ARG 27 Cb 0.42 -2.09 0.02 0.00 -1.02 0.00 0.00 32.46 29.79 3f7u n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f7u s GLN 28 N -3.32 2.89 0.08 5.56 -1.52 -1.26 -3.13 119.66 118.97 3f7u s GLN 28 Ca 0.46 -0.59 0.05 0.00 -1.95 0.00 0.00 55.36 53.32 3f7u s GLN 28 Cb 0.34 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 30.56 3f7u s GLN 28 CO -0.13 -0.42 -0.12 -1.12 -0.25 0.00 0.00 175.29 173.25 3f7u s SER 29 N -4.29 1.57 0.82 5.90 0.01 -1.26 -4.62 113.70 111.83 3f7u s SER 29 Ca 0.51 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 3f7u s SER 29 Cb -0.10 -0.03 0.15 0.00 0.21 0.00 0.00 66.02 66.25 3f7u s SER 29 CO 0.38 -0.15 1.13 -2.16 0.41 0.00 0.00 173.24 172.85 3f7u s PRO 30 N -2.15 1.32 0.13 12.44 0.04 -1.26 -4.49 135.00 141.03 3f7u s PRO 30 Ca 0.01 -0.69 0.02 0.00 0.04 0.00 0.00 61.00 60.37 3f7u s PRO 30 Cb -0.07 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3f7u s PRO 30 CO 0.02 -1.82 -0.04 0.96 0.04 0.00 0.00 177.00 176.15 3f7u s ILE 31 N -3.47 0.72 -0.05 0.56 -4.36 -1.26 -0.22 121.20 113.12 3f7u s ILE 31 Ca 0.69 -1.96 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 3f7u s ILE 31 Cb -0.05 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3f7u s ILE 31 CO 0.48 -0.71 0.70 0.21 0.24 0.00 0.00 174.94 175.86 3f7u s ASN 32 N -3.10 7.01 -0.32 4.36 2.47 -1.26 -2.86 114.94 121.23 3f7u s ASN 32 Ca 0.17 1.21 -0.09 0.00 0.42 0.00 0.00 52.86 54.56 3f7u s ASN 32 Cb 0.05 -2.42 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 3f7u s ASN 32 CO -0.01 -0.10 0.15 -0.63 -3.72 0.00 0.00 177.10 172.79 3f7u s ILE 33 N 0.70 4.50 -0.62 -5.21 1.01 0.24 -4.94 121.20 116.89 3f7u s ILE 33 Ca 0.37 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 3f7u s ILE 33 Cb -0.18 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3f7u s ILE 33 CO 0.19 -0.00 1.27 -0.69 0.00 0.00 0.00 174.94 175.70 3f7u s VAL 34 N 1.58 3.88 0.42 2.92 1.01 -1.26 -0.59 120.40 128.37 3f7u s VAL 34 Ca 0.04 0.72 0.11 0.00 0.00 0.00 0.00 61.98 62.85 3f7u s VAL 34 Cb -0.18 -4.71 0.20 0.00 0.00 0.00 0.00 36.38 31.69 3f7u s VAL 34 CO 0.06 -1.43 1.99 0.71 0.00 0.00 0.00 175.10 176.42 3f7u h THR 35 N 6.18 1.13 -0.00 3.92 1.35 -1.95 -1.18 112.91 122.35 3f7u h THR 35 Ca -0.26 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3f7u h THR 35 Cb 1.06 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3f7u h THR 35 CO 1.21 0.17 -0.14 0.35 -0.25 0.00 0.00 175.52 176.86 3f7u n THR 36 N -4.36 0.00 1.16 6.82 -2.24 -1.26 -2.62 114.28 111.78 3f7u n THR 36 Ca -0.01 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 3f7u n THR 36 Cb 0.20 -0.26 0.29 0.00 -2.10 0.00 0.00 70.33 68.46 3f7u n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f7u n LYS 37 N -1.40 0.69 -3.21 -0.78 5.02 -0.46 -4.85 118.16 113.17 3f7u n LYS 37 Ca 0.08 -0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 55.54 3f7u n LYS 37 Cb 0.32 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3f7u n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7u s ALA 38 N -2.61 3.55 0.25 7.82 0.00 -1.08 -4.84 121.76 124.85 3f7u s ALA 38 Ca 0.21 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 3f7u s ALA 38 Cb 0.19 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 3f7u s ALA 38 CO 0.57 -0.49 0.87 0.15 0.00 0.00 0.00 175.76 176.86 3f7u s LYS 39 N 1.76 4.62 0.34 0.00 1.02 -1.22 -4.69 119.74 121.56 3f7u s LYS 39 Ca 0.25 1.27 -0.28 0.00 0.02 0.00 0.00 55.97 57.23 3f7u s LYS 39 Cb -0.16 -3.06 -0.10 0.00 -0.52 0.00 0.00 37.83 34.00 3f7u s LYS 39 CO 0.10 0.44 1.21 0.08 -0.92 0.00 0.00 175.35 176.25 3f7u s VAL 40 N -1.37 3.05 -0.21 3.17 1.01 -1.26 -1.50 120.40 123.30 3f7u s VAL 40 Ca 0.43 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 3f7u s VAL 40 Cb -0.22 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3f7u s VAL 40 CO 0.26 0.20 0.06 -0.62 0.00 0.00 0.00 175.10 175.01 3f7u s ASP 41 N -0.77 2.99 0.00 3.32 -1.08 0.12 -4.82 116.67 116.42 3f7u s ASP 41 Ca 0.50 -0.91 0.14 0.00 -0.52 0.00 0.00 52.55 51.75 3f7u s ASP 41 Cb -0.35 -0.55 0.61 0.00 -1.46 0.00 0.00 42.92 41.17 3f7u s ASP 41 CO 0.46 -0.34 1.42 0.29 0.52 0.00 0.00 175.17 177.52 3f7u n LYS 42 N 5.08 0.04 0.21 4.34 5.02 -1.26 -1.08 118.16 130.51 3f7u n LYS 42 Ca -0.08 0.24 0.15 0.00 -2.02 0.00 0.00 58.31 56.61 3f7u n LYS 42 Cb 0.46 -1.50 0.73 0.00 -0.02 0.00 0.00 35.03 34.70 3f7u n LYS 42 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3f7u h LYS 43 N 0.00 0.00 -5.34 1.97 1.57 -1.95 -3.39 116.57 109.43 3f7u h LYS 43 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3f7u h LYS 43 Cb 0.21 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.38 3f7u h LYS 43 CO 0.00 0.00 1.37 -0.51 -0.57 0.00 0.00 179.45 179.74 3f7u s LEU 44 N -5.09 4.49 0.00 2.94 1.43 -0.24 -3.91 118.68 118.29 3f7u s LEU 44 Ca -0.01 -2.25 -0.01 0.00 -1.03 0.00 0.00 54.13 50.83 3f7u s LEU 44 Cb 0.09 -2.47 0.14 0.00 0.03 0.00 0.00 46.19 43.98 3f7u s LEU 44 CO 0.33 -1.09 0.94 0.61 0.23 0.00 0.00 176.35 177.37 3f7u n GLY 45 N 5.40 0.56 3.72 -3.19 0.00 -1.26 -4.70 105.19 105.73 3f7u n GLY 45 Ca 0.34 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3f7u n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f7u s ARG 46 N -4.95 2.26 0.48 1.61 1.70 -1.26 -3.02 118.95 115.76 3f7u s ARG 46 Ca 0.62 1.89 -0.20 0.00 -0.47 0.00 0.00 55.73 57.57 3f7u s ARG 46 Cb -0.03 -1.83 -0.09 0.00 -0.57 0.00 0.00 34.95 32.42 3f7u s ARG 46 CO 0.41 -1.78 1.00 -0.06 -1.08 0.00 0.00 175.30 173.79 3f7u s PHE 47 N -1.76 3.19 -0.20 5.89 0.40 -1.26 -1.20 117.98 123.04 3f7u s PHE 47 Ca 0.78 1.57 -0.03 0.00 -0.60 0.00 0.00 56.93 58.65 3f7u s PHE 47 Cb -0.32 -2.93 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 3f7u s PHE 47 CO 0.43 -0.50 -0.08 -0.06 0.70 0.00 0.00 175.22 175.72 3f7u s PHE 48 N -2.20 2.91 -0.09 0.36 0.08 0.16 -4.85 117.98 114.36 3f7u s PHE 48 Ca 0.64 -0.99 -0.06 0.00 0.12 0.00 0.00 56.93 56.64 3f7u s PHE 48 Cb -0.12 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3f7u s PHE 48 CO 0.20 -0.53 0.14 -0.06 -0.10 0.00 0.00 175.22 174.88 3f7u s PHE 49 N 1.28 3.57 -0.05 0.36 0.08 -1.26 -0.66 117.98 121.30 3f7u s PHE 49 Ca 0.03 0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.57 3f7u s PHE 49 Cb -0.14 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 3f7u s PHE 49 CO -0.03 0.71 -0.07 0.45 -0.10 0.00 0.00 175.22 176.17 3f7u s SER 50 N -1.25 1.21 0.00 1.36 0.15 -0.64 -4.78 113.70 109.75 3f7u s SER 50 Ca 0.18 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3f7u s SER 50 Cb -0.12 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 3f7u s SER 50 CO 0.08 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.11 3f7u n GLY 50 N 3.88 0.83 0.23 9.45 0.00 -1.26 -1.22 105.19 117.10 3f7u n GLY 50 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3f7u n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3f7u h TYR 51 N 0.00 0.00 0.00 1.61 -1.99 -1.86 -3.32 116.97 111.41 3f7u h TYR 51 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3f7u h TYR 51 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 3f7u h TYR 51 CO 0.00 0.02 -0.50 0.38 -0.00 0.00 0.00 178.16 178.07 3f7u h ASP 52 N 0.00 0.00 -3.38 3.88 2.03 -1.94 -0.29 116.42 116.72 3f7u h ASP 52 Ca -0.00 -0.02 -0.55 0.00 -0.73 0.00 0.00 57.03 55.73 3f7u h ASP 52 Cb 0.93 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.39 3f7u h ASP 52 CO 0.00 0.01 0.09 -0.75 -1.03 0.00 0.00 179.24 177.57 3f7u s LYS 53 N -3.27 4.43 0.00 4.15 2.20 -1.25 -4.84 119.74 121.17 3f7u s LYS 53 Ca 0.04 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 3f7u s LYS 53 Cb 0.08 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 3f7u s LYS 53 CO 0.72 0.34 1.32 0.15 -0.36 0.00 0.00 175.35 177.53 3f7u s LYS 54 N -0.21 4.32 0.14 4.03 -0.14 -1.26 -4.14 119.74 122.48 3f7u s LYS 54 Ca 0.35 1.88 0.04 0.00 -1.36 0.00 0.00 55.97 56.88 3f7u s LYS 54 Cb -0.20 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 3f7u s LYS 54 CO 0.21 -0.49 -0.10 -0.65 -0.76 0.00 0.00 175.35 173.56 3f7u s GLN 55 N 2.07 1.03 -0.49 1.68 -1.52 0.52 -4.82 119.66 118.13 3f7u s GLN 55 Ca 0.61 -1.43 -0.15 0.00 -1.95 0.00 0.00 55.36 52.44 3f7u s GLN 55 Cb -0.30 -0.58 0.09 0.00 -0.22 0.00 0.00 33.01 32.00 3f7u s GLN 55 CO 0.26 0.07 0.42 0.95 -0.25 0.00 0.00 175.29 176.74 3f7u s THR 56 N -3.34 5.18 0.34 -0.19 -4.23 -1.26 -1.85 115.64 110.28 3f7u s THR 56 Ca 0.16 -1.22 -0.25 0.00 -1.18 0.00 0.00 61.69 59.20 3f7u s THR 56 Cb 0.03 -4.17 -0.10 0.00 1.34 0.00 0.00 72.50 69.60 3f7u s THR 56 CO -0.00 -0.67 0.94 0.26 -0.54 0.00 0.00 174.62 174.61 3f7u s TRP 57 N 1.62 3.64 0.01 3.99 0.52 -1.26 -4.74 118.94 122.72 3f7u s TRP 57 Ca 0.04 1.75 -0.28 0.00 0.02 0.00 0.00 56.10 57.63 3f7u s TRP 57 Cb -0.26 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 3f7u s TRP 57 CO 0.05 0.17 0.90 0.99 0.02 0.00 0.00 176.95 179.09 3f7u s THR 58 N -1.69 4.82 0.01 2.01 2.01 -1.26 0.04 115.64 121.58 3f7u s THR 58 Ca 0.52 1.91 0.04 0.00 0.31 0.00 0.00 61.69 64.46 3f7u s THR 58 Cb -0.17 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 3f7u s THR 58 CO 0.22 0.23 -0.11 0.54 -0.69 0.00 0.00 174.62 174.81 3f7u s VAL 59 N 0.67 0.90 0.04 3.82 0.11 0.67 -0.96 120.40 125.64 3f7u s VAL 59 Ca 0.47 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 3f7u s VAL 59 Cb -0.21 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3f7u s VAL 59 CO 0.26 0.08 0.09 0.00 -3.33 0.00 0.00 175.10 172.20 3f7u s GLN 60 N -0.71 0.61 -0.29 1.54 -2.07 -0.75 0.28 119.66 118.27 3f7u s GLN 60 Ca 0.02 -0.82 -0.17 0.00 -1.82 0.00 0.00 55.36 52.56 3f7u s GLN 60 Cb -0.06 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 3f7u s GLN 60 CO 0.00 -0.15 0.47 1.21 -1.32 0.00 0.00 175.29 175.50 3f7u s ASN 61 N -2.27 6.35 -0.05 12.60 3.84 -0.98 -1.31 114.94 133.11 3f7u s ASN 61 Ca -0.03 0.30 0.18 0.00 0.21 0.00 0.00 52.86 53.52 3f7u s ASN 61 Cb 0.00 -2.26 0.58 0.00 -0.55 0.00 0.00 41.25 39.03 3f7u s ASN 61 CO -0.06 -0.31 1.49 -0.46 -2.79 0.00 0.00 177.10 174.98 3f7u n ASN 62 N 5.53 3.99 0.00 -4.21 0.23 -0.99 -1.22 115.26 118.59 3f7u n ASN 62 Ca -0.06 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 3f7u n ASN 62 Cb 0.50 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 3f7u n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f7u n GLY 63 N 1.03 1.77 0.00 4.83 0.00 -1.26 -4.76 105.19 106.80 3f7u n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3f7u n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f7u n HIS 64 N -2.00 0.00 -3.81 1.61 8.25 -1.26 -4.76 115.22 113.25 3f7u n HIS 64 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3f7u n HIS 64 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 3f7u n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f7u n SER 65 N -1.05 -1.99 -4.82 0.41 2.88 -1.26 -4.88 113.62 102.91 3f7u n SER 65 Ca 0.00 -2.26 -0.36 0.00 -1.33 0.00 0.00 58.87 54.92 3f7u n SER 65 Cb 0.16 3.28 -0.07 0.00 -0.75 0.00 0.00 64.21 66.83 3f7u n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3f7u s VAL 66 N -2.11 5.43 -0.06 2.46 0.11 -1.26 -2.33 120.40 122.63 3f7u s VAL 66 Ca 0.18 0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.49 3f7u s VAL 66 Cb -0.04 -3.46 0.03 0.00 -1.53 0.00 0.00 36.38 31.38 3f7u s VAL 66 CO 0.09 0.54 0.02 -0.32 -3.33 0.00 0.00 175.10 172.10 3f7u s MET 67 N -0.50 0.38 0.03 1.54 0.00 -0.43 -3.25 119.30 117.08 3f7u s MET 67 Ca 0.14 0.19 -0.28 0.00 0.00 0.00 0.00 55.69 55.73 3f7u s MET 67 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 34.83 33.86 3f7u s MET 67 CO 0.03 -0.30 0.89 -1.64 0.00 0.00 0.00 175.02 173.99 3f7u s MET 68 N 1.98 4.57 -0.22 4.11 -1.94 0.08 -1.81 119.30 126.07 3f7u s MET 68 Ca 0.04 1.27 -0.24 0.00 -1.71 0.00 0.00 55.69 55.05 3f7u s MET 68 Cb -0.12 -3.42 -0.01 0.00 2.01 0.00 0.00 34.83 33.29 3f7u s MET 68 CO -0.04 0.11 0.81 -0.51 -0.01 0.00 0.00 175.02 175.37 3f7u s LEU 69 N 0.48 4.11 -0.01 -0.03 1.43 -0.14 -1.63 118.68 122.90 3f7u s LEU 69 Ca 0.46 1.05 0.16 0.00 -1.03 0.00 0.00 54.13 54.76 3f7u s LEU 69 Cb -0.21 -3.17 -0.20 0.00 0.03 0.00 0.00 46.19 42.64 3f7u s LEU 69 CO 0.26 -0.46 0.54 0.18 0.23 0.00 0.00 176.35 177.09 3f7u n LEU 70 N 5.71 0.44 -3.74 1.79 4.77 -0.04 -4.45 117.00 121.48 3f7u n LEU 70 Ca 0.05 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 3f7u n LEU 70 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3f7u n LEU 70 CO 0.47 0.11 -0.07 -1.84 -1.33 0.00 0.00 177.39 174.73 3f7u n GLU 71 N -1.65 -0.82 -4.27 3.23 0.28 -1.17 -0.63 120.64 115.61 3f7u n GLU 71 Ca 0.01 -0.29 -0.35 0.00 -0.16 0.00 0.00 57.16 56.36 3f7u n GLU 71 Cb 0.31 -0.26 -0.08 0.00 1.43 0.00 0.00 31.44 32.84 3f7u n GLU 71 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3f7u n ASN 72 N -0.12 -0.45 0.11 -1.84 3.02 -0.74 -4.78 115.26 110.46 3f7u n ASN 72 Ca -0.04 -1.18 0.13 0.00 -0.03 0.00 0.00 54.58 53.45 3f7u n ASN 72 Cb 0.18 -1.49 0.32 0.00 -0.61 0.00 0.00 39.78 38.18 3f7u n ASN 72 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3f7u h LYS 76 N -1.20 0.00 -3.52 3.52 1.57 -1.11 -3.50 116.57 112.34 3f7u h LYS 76 Ca -0.59 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 3f7u h LYS 76 Cb 1.30 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 3f7u h LYS 76 CO 0.75 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 179.51 3f7u s ALA 77 N -3.13 -0.66 0.25 3.86 0.00 -1.26 -4.61 121.76 116.21 3f7u s ALA 77 Ca 0.09 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 3f7u s ALA 77 Cb 0.12 0.75 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3f7u s ALA 77 CO 0.64 -0.68 0.69 -1.54 0.00 0.00 0.00 175.76 174.87 3f7u s SER 78 N -2.86 -0.33 0.05 0.00 1.04 -0.36 -0.28 113.70 110.96 3f7u s SER 78 Ca 0.08 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 3f7u s SER 78 Cb 0.02 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 3f7u s SER 78 CO -0.07 -1.26 -0.03 0.27 0.98 0.00 0.00 173.24 173.14 3f7u s ILE 79 N -3.88 0.21 0.29 -1.02 -4.36 -0.36 -1.63 121.20 110.45 3f7u s ILE 79 Ca 0.09 -1.74 -0.02 0.00 -0.26 0.00 0.00 60.65 58.72 3f7u s ILE 79 Cb -0.05 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.25 3f7u s ILE 79 CO 0.02 -0.96 0.41 -1.54 0.24 0.00 0.00 174.94 173.12 3f7u n SER 80 N 0.22 -1.15 0.00 4.36 3.41 0.17 -1.26 113.62 119.36 3f7u n SER 80 Ca -0.15 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3f7u n SER 80 Cb 0.61 2.14 0.00 0.00 -0.26 0.00 0.00 64.21 66.69 3f7u n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f7u n GLY 81 N -0.47 0.53 3.28 5.00 0.00 -1.26 0.40 105.19 112.67 3f7u n GLY 81 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3f7u n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 82 N 0.00 -0.53 2.51 -0.02 0.00 -0.34 -0.71 105.19 106.11 3f7u n GLY 82 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3f7u n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 83 N -1.64 1.00 3.84 -0.02 0.00 -1.25 -4.73 105.19 102.39 3f7u n GLY 83 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3f7u n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f7u s LEU 84 N -2.60 3.82 0.00 0.99 1.43 0.11 -4.96 118.68 117.46 3f7u s LEU 84 Ca 0.00 1.47 0.29 0.00 -1.03 0.00 0.00 54.13 54.86 3f7u s LEU 84 Cb 0.00 -4.35 1.30 0.00 0.03 0.00 0.00 46.19 43.17 3f7u s LEU 84 CO 0.00 -0.42 1.89 -0.81 0.23 0.00 0.00 176.35 177.23 3f7u n PRO 85 N -1.06 1.17 -3.52 1.29 -0.04 -1.26 -4.69 135.00 126.89 3f7u n PRO 85 Ca 0.05 -0.48 -0.09 0.00 -0.04 0.00 0.00 63.50 62.94 3f7u n PRO 85 Cb 0.54 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3f7u n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f7u s ALA 86 N -2.16 -1.74 0.76 0.55 0.00 -1.26 -5.14 121.76 112.76 3f7u s ALA 86 Ca 0.37 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3f7u s ALA 86 Cb 0.21 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.94 3f7u s ALA 86 CO 0.40 -0.75 1.10 -1.25 0.00 0.00 0.00 175.76 175.25 3f7u s PRO 87 N -3.30 2.31 -0.02 0.00 0.04 -1.26 -4.78 135.00 127.98 3f7u s PRO 87 Ca 0.05 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.33 3f7u s PRO 87 Cb -0.01 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.64 3f7u s PRO 87 CO -0.08 -1.61 -0.01 0.71 0.04 0.00 0.00 177.00 176.04 3f7u s TYR 88 N -2.76 0.28 -0.05 0.56 1.51 -0.39 -0.83 117.35 115.67 3f7u s TYR 88 Ca 0.63 -0.02 -0.15 0.00 -1.01 0.00 0.00 57.07 56.52 3f7u s TYR 88 Cb -0.18 -0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 3f7u s TYR 88 CO 0.53 -0.07 0.39 -0.65 -1.11 0.00 0.00 175.55 174.63 3f7u s GLN 89 N 0.53 3.99 0.07 -0.62 -1.52 0.24 -1.22 119.66 121.13 3f7u s GLN 89 Ca -0.05 0.34 -0.31 0.00 -1.95 0.00 0.00 55.36 53.39 3f7u s GLN 89 Cb -0.08 -3.28 -0.08 0.00 -0.22 0.00 0.00 33.01 29.35 3f7u s GLN 89 CO -0.01 0.56 1.60 0.00 -0.25 0.00 0.00 175.29 177.20 3f7u s ALA 90 N -0.64 3.68 -0.21 6.09 0.00 0.61 -0.42 121.76 130.88 3f7u s ALA 90 Ca 0.23 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 3f7u s ALA 90 Cb -0.16 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 3f7u s ALA 90 CO 0.11 -1.03 -0.24 1.63 0.00 0.00 0.00 175.76 176.23 3f7u n LYS 91 N 5.36 0.46 -3.61 0.00 4.76 0.31 -1.79 118.16 123.65 3f7u n LYS 91 Ca 0.15 0.17 -0.09 0.00 -2.87 0.00 0.00 58.31 55.67 3f7u n LYS 91 Cb 0.41 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 3f7u n LYS 91 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3f7u s GLN 92 N -2.39 1.42 -0.03 1.97 1.03 -1.14 -0.86 119.66 119.67 3f7u s GLN 92 Ca -0.28 -0.66 0.01 0.00 0.04 0.00 0.00 55.36 54.47 3f7u s GLN 92 Cb 0.10 0.56 0.01 0.00 0.03 0.00 0.00 33.01 33.71 3f7u s GLN 92 CO 0.40 -0.64 -0.05 -1.17 -2.54 0.00 0.00 175.29 171.29 3f7u s LEU 93 N -2.80 1.61 0.31 2.60 0.20 -0.65 -1.11 118.68 118.84 3f7u s LEU 93 Ca 0.06 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.75 3f7u s LEU 93 Cb -0.03 -0.38 -0.01 0.00 -0.43 0.00 0.00 46.19 45.34 3f7u s LEU 93 CO -0.04 0.00 0.39 -1.38 -0.29 0.00 0.00 176.35 175.03 3f7u s HIS 94 N 0.46 1.13 0.11 5.38 -3.43 -0.43 -0.74 115.29 117.78 3f7u s HIS 94 Ca -0.06 -1.32 0.01 0.00 -0.80 0.00 0.00 55.06 52.90 3f7u s HIS 94 Cb -0.09 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 3f7u s HIS 94 CO -0.00 -1.01 -0.03 -0.51 -2.00 0.00 0.00 174.74 171.20 3f7u s LEU 95 N -3.23 2.30 -0.00 5.38 1.02 -1.20 -1.44 118.68 121.52 3f7u s LEU 95 Ca 0.33 -1.08 0.05 0.00 0.02 0.00 0.00 54.13 53.45 3f7u s LEU 95 Cb 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 46.19 46.23 3f7u s LEU 95 CO 0.19 -0.55 -0.16 -1.00 0.02 0.00 0.00 176.35 174.86 3f7u s HIS 96 N -3.74 1.40 0.26 0.29 3.76 -0.59 -4.55 115.29 112.12 3f7u s HIS 96 Ca 0.16 -0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.57 3f7u s HIS 96 Cb 0.06 -0.89 0.03 0.00 1.11 0.00 0.00 32.58 32.90 3f7u s HIS 96 CO -0.02 -0.01 0.78 1.67 -0.85 0.00 0.00 174.74 176.31 3f7u s TRP 97 N -0.46 -0.16 0.00 1.40 -2.14 -1.11 -0.75 118.94 115.72 3f7u s TRP 97 Ca 0.06 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.54 3f7u s TRP 97 Cb -0.06 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 31.01 3f7u s TRP 97 CO -0.00 -1.16 0.00 0.45 -2.66 0.00 0.00 176.95 173.58 3f7u n SER 98 N -0.51 0.79 -0.07 -2.66 2.88 -1.18 -0.33 113.62 112.55 3f7u n SER 98 Ca -0.05 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.52 3f7u n SER 98 Cb 0.59 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.09 3f7u n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3f7u n ASP 99 N 0.00 1.61 -4.33 -3.46 5.75 -1.26 -4.82 116.55 110.04 3f7u n ASP 99 Ca 0.00 -2.16 -0.27 0.00 -0.01 0.00 0.00 54.79 52.35 3f7u n ASP 99 Cb 0.00 -0.14 -0.13 0.00 -1.03 0.00 0.00 41.12 39.81 3f7u n ASP 99 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3f7u s LEU 100 N -1.30 2.26 0.53 -2.12 1.43 -1.26 -5.04 118.68 113.18 3f7u s LEU 100 Ca 0.09 -0.66 0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3f7u s LEU 100 Cb 0.08 -1.09 1.41 0.00 0.03 0.00 0.00 46.19 46.62 3f7u s LEU 100 CO 0.01 0.15 2.02 1.55 0.23 0.00 0.00 176.35 180.31 3f7u h PRO 101 N 4.27 0.00 -0.66 1.29 0.13 -1.95 -3.08 132.00 131.99 3f7u h PRO 101 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3f7u h PRO 101 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3f7u h PRO 101 CO 0.41 0.10 0.02 2.48 -0.23 0.00 0.00 178.00 180.78 3f7u n TYR 102 N -3.37 1.79 -1.38 1.56 0.18 -1.26 -3.58 117.16 111.10 3f7u n TYR 102 Ca -0.01 -0.65 0.00 0.00 1.88 0.00 0.00 57.90 59.13 3f7u n TYR 102 Cb 0.28 -0.46 0.00 0.00 -0.38 0.00 0.00 39.34 38.78 3f7u n TYR 102 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 3f7u n LYS 103 N 0.47 0.00 -0.00 -3.48 4.81 -1.17 -4.41 118.16 114.39 3f7u n LYS 103 Ca 0.24 -0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3f7u n LYS 103 Cb 1.07 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.81 3f7u n LYS 103 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f7u n GLY 104 N 0.00 -0.24 3.88 3.14 0.00 0.15 -4.58 105.19 107.54 3f7u n GLY 104 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3f7u n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7u s SER 105 N -0.29 5.99 -0.18 1.61 1.04 0.05 -2.76 113.70 119.17 3f7u s SER 105 Ca 0.00 1.22 -0.24 0.00 0.48 0.00 0.00 55.95 57.41 3f7u s SER 105 Cb 0.00 -2.24 -0.21 0.00 0.10 0.00 0.00 66.02 63.66 3f7u s SER 105 CO 0.00 -0.96 0.44 -0.33 0.98 0.00 0.00 173.24 173.37 3f7u h GLU 106 N -0.31 0.00 -7.26 4.02 5.08 -1.90 -3.46 114.58 110.76 3f7u h GLU 106 Ca -0.45 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.42 3f7u h GLU 106 Cb 1.21 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.52 3f7u h GLU 106 CO 0.62 0.96 0.38 -1.01 -1.00 0.00 0.00 179.01 178.97 3f7u s HIS 107 N -2.29 3.24 0.07 4.33 3.76 -1.26 -4.65 115.29 118.49 3f7u s HIS 107 Ca -0.24 1.44 0.06 0.00 -0.15 0.00 0.00 55.06 56.18 3f7u s HIS 107 Cb 0.02 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 3f7u s HIS 107 CO 0.62 -0.88 -0.17 -1.54 -0.85 0.00 0.00 174.74 171.92 3f7u s SER 108 N -3.32 2.00 -0.32 1.40 1.04 -1.14 -4.60 113.70 108.76 3f7u s SER 108 Ca 0.60 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 3f7u s SER 108 Cb -0.13 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3f7u s SER 108 CO 0.42 0.01 0.14 -0.76 0.98 0.00 0.00 173.24 174.03 3f7u s LEU 109 N -1.60 4.20 -1.42 2.42 1.43 -0.55 -0.59 118.68 122.58 3f7u s LEU 109 Ca 0.02 -0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 3f7u s LEU 109 Cb -0.09 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3f7u s LEU 109 CO 0.03 -0.25 0.43 0.47 0.23 0.00 0.00 176.35 177.25 3f7u n ASP 110 N 4.94 -5.02 0.00 2.29 8.00 0.24 -1.32 116.55 125.68 3f7u n ASP 110 Ca -0.13 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3f7u n ASP 110 Cb 0.48 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 3f7u n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f7u n GLY 111 N -1.27 1.03 3.61 0.44 0.00 -1.26 -5.02 105.19 102.73 3f7u n GLY 111 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3f7u n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f7u s GLU 112 N -0.59 4.03 0.38 1.61 2.02 -0.43 -5.02 118.70 120.69 3f7u s GLU 112 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.99 3f7u s GLU 112 Cb 0.00 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 3f7u s GLU 112 CO 0.00 -0.24 0.62 -1.01 0.02 0.00 0.00 175.26 174.66 3f7u s HIS 113 N 1.94 3.52 0.52 1.61 3.76 -1.26 -1.48 115.29 123.90 3f7u s HIS 113 Ca 0.15 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.62 3f7u s HIS 113 Cb -0.16 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3f7u s HIS 113 CO 0.10 0.01 0.16 -0.06 -0.85 0.00 0.00 174.74 174.09 3f7u s PHE 114 N -2.42 1.82 0.11 1.40 0.40 -1.26 -4.52 117.98 113.51 3f7u s PHE 114 Ca 0.43 -0.89 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 3f7u s PHE 114 Cb -0.10 -1.74 -0.21 0.00 0.51 0.00 0.00 43.02 41.48 3f7u s PHE 114 CO 0.38 -0.03 1.25 0.00 0.70 0.00 0.00 175.22 177.52 3f7u h ALA 115 N 1.14 0.36 -2.63 5.36 0.00 -1.00 0.48 119.26 122.96 3f7u h ALA 115 Ca -0.41 -0.93 -0.20 0.00 0.00 0.00 0.00 54.91 53.36 3f7u h ALA 115 Cb 1.31 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 3f7u h ALA 115 CO 0.68 1.25 -0.52 -1.64 0.00 0.00 0.00 179.25 179.02 3f7u s MET 116 N -2.70 1.25 -0.04 0.00 -1.94 -0.97 -3.09 119.30 111.81 3f7u s MET 116 Ca 0.01 -1.54 -0.00 0.00 -1.71 0.00 0.00 55.69 52.44 3f7u s MET 116 Cb 0.10 0.31 0.03 0.00 2.01 0.00 0.00 34.83 37.27 3f7u s MET 116 CO 0.82 -0.43 0.01 -2.00 -0.01 0.00 0.00 175.02 173.41 3f7u s GLU 117 N -4.13 0.23 -0.15 2.03 2.12 0.07 -1.63 118.70 117.25 3f7u s GLU 117 Ca 0.35 0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.75 3f7u s GLU 117 Cb 0.06 -0.52 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 3f7u s GLU 117 CO 0.11 -0.19 0.10 1.41 -0.54 0.00 0.00 175.26 176.14 3f7u s MET 118 N 1.34 3.67 -0.18 4.30 -2.45 0.20 -1.55 119.30 124.64 3f7u s MET 118 Ca -0.05 -0.24 0.01 0.00 -1.25 0.00 0.00 55.69 54.16 3f7u s MET 118 Cb -0.13 -3.19 0.02 0.00 1.25 0.00 0.00 34.83 32.77 3f7u s MET 118 CO -0.03 0.54 -0.19 -1.01 1.05 0.00 0.00 175.02 175.38 3f7u s HIS 119 N -0.37 2.78 -0.34 4.11 3.76 -0.52 0.02 115.29 124.74 3f7u s HIS 119 Ca 0.10 -1.56 -0.07 0.00 -0.15 0.00 0.00 55.06 53.38 3f7u s HIS 119 Cb -0.12 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.69 3f7u s HIS 119 CO 0.01 -0.76 0.11 0.42 -0.85 0.00 0.00 174.74 173.67 3f7u s ILE 120 N 1.23 3.90 -0.26 0.60 1.01 1.00 -1.31 121.20 127.37 3f7u s ILE 120 Ca 0.03 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3f7u s ILE 120 Cb -0.13 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3f7u s ILE 120 CO -0.11 -0.15 0.24 -0.69 0.00 0.00 0.00 174.94 174.23 3f7u s VAL 121 N 1.43 5.29 0.23 2.92 1.01 -0.27 -1.19 120.40 129.83 3f7u s VAL 121 Ca -0.01 0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.39 3f7u s VAL 121 Cb -0.19 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3f7u s VAL 121 CO 0.03 0.26 -0.20 -1.00 0.00 0.00 0.00 175.10 174.20 3f7u s HIS 122 N 1.54 2.12 -0.02 5.22 3.76 -0.21 -0.53 115.29 127.19 3f7u s HIS 122 Ca 0.10 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.69 3f7u s HIS 122 Cb -0.15 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 3f7u s HIS 122 CO 0.08 0.56 -0.25 -2.00 -0.85 0.00 0.00 174.74 172.28 3f7u s GLU 123 N -3.26 2.00 0.17 1.40 2.56 0.44 -1.38 118.70 120.62 3f7u s GLU 123 Ca 0.25 -0.90 -0.30 0.00 0.00 0.00 0.00 54.97 54.02 3f7u s GLU 123 Cb -0.05 -1.95 -0.08 0.00 2.00 0.00 0.00 34.13 34.06 3f7u s GLU 123 CO 0.11 0.53 1.18 0.21 -0.56 0.00 0.00 175.26 176.73 3f7u s LYS 124 N -0.62 4.50 -0.75 4.30 2.20 0.33 -0.59 119.74 129.12 3f7u s LYS 124 Ca 0.10 1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 57.27 3f7u s LYS 124 Cb -0.10 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3f7u s LYS 124 CO -0.01 -0.08 1.61 -1.21 -0.36 0.00 0.00 175.35 175.30 3f7u s GLU 125 N -0.07 2.94 0.00 4.03 2.02 -0.01 -4.87 118.70 122.74 3f7u s GLU 125 Ca 0.53 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.48 3f7u s GLU 125 Cb -0.31 -4.53 0.00 0.00 0.10 0.00 0.00 34.13 29.39 3f7u s GLU 125 CO 0.35 -2.55 0.00 1.63 0.02 0.00 0.00 175.26 174.72 3f7u n LYS 126 N 9.18 2.78 0.00 1.61 5.02 -1.26 -4.79 118.16 130.70 3f7u n LYS 126 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3f7u n LYS 126 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3f7u n LYS 126 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3f7u n PRO 137 N 0.00 0.00 0.00 1.97 -0.01 -1.26 -5.20 135.00 130.50 3f7u n PRO 137 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.54 3f7u n PRO 137 Cb 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 33.50 33.74 3f7u n PRO 137 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 3f7u n GLU 138 N -0.18 0.07 -0.76 -0.52 0.28 -1.26 -2.37 120.64 115.88 3f7u n GLU 138 Ca 0.00 0.26 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 3f7u n GLU 138 Cb 0.00 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.45 3f7u n GLU 138 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3f7u n ASP 139 N -1.41 1.16 -0.27 -1.84 3.85 -1.23 -2.82 116.55 113.98 3f7u n ASP 139 Ca 0.04 -2.65 0.20 0.00 -0.71 0.00 0.00 54.79 51.67 3f7u n ASP 139 Cb 0.11 -0.35 0.51 0.00 -1.35 0.00 0.00 41.12 40.04 3f7u n ASP 139 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3f7u h GLU 140 N 0.55 0.40 -5.61 0.11 4.57 -1.05 -3.41 114.58 110.14 3f7u h GLU 140 Ca -0.07 -0.02 -0.68 0.00 -1.18 0.00 0.00 59.36 57.40 3f7u h GLU 140 Cb 1.39 -0.09 -0.32 0.00 -0.16 0.00 0.00 28.75 29.57 3f7u h GLU 140 CO 0.03 0.26 -0.87 0.42 -1.18 0.00 0.00 179.01 177.67 3f7u s ILE 141 N -5.45 2.13 -0.17 2.32 -1.09 -0.31 -0.51 121.20 118.11 3f7u s ILE 141 Ca -0.08 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.31 3f7u s ILE 141 Cb 0.23 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 39.31 3f7u s ILE 141 CO 0.79 0.56 -0.11 0.00 -1.23 0.00 0.00 174.94 174.95 3f7u s ALA 142 N 0.13 2.63 -0.17 9.38 0.00 -0.48 -0.43 121.76 132.81 3f7u s ALA 142 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.76 3f7u s ALA 142 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 3f7u s ALA 142 CO 0.07 -0.08 -0.04 0.08 0.00 0.00 0.00 175.76 175.78 3f7u s VAL 143 N 0.89 3.73 -0.32 0.00 1.01 -0.62 -1.04 120.40 124.05 3f7u s VAL 143 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3f7u s VAL 143 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3f7u s VAL 143 CO -0.00 0.47 0.41 -0.76 0.00 0.00 0.00 175.10 175.22 3f7u s LEU 144 N 0.63 4.28 -0.18 3.92 1.43 -0.33 -1.76 118.68 126.66 3f7u s LEU 144 Ca -0.03 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3f7u s LEU 144 Cb -0.14 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3f7u s LEU 144 CO 0.02 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.29 3f7u s ALA 145 N 2.13 3.10 -0.04 4.21 0.00 0.38 -0.00 121.76 131.55 3f7u s ALA 145 Ca 0.15 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3f7u s ALA 145 Cb -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 3f7u s ALA 145 CO 0.11 0.02 -0.24 -0.06 0.00 0.00 0.00 175.76 175.59 3f7u s PHE 146 N 0.70 2.26 -0.02 0.00 0.40 0.10 -1.99 117.98 119.43 3f7u s PHE 146 Ca 0.00 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 3f7u s PHE 146 Cb -0.14 -1.47 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 3f7u s PHE 146 CO 0.02 -0.12 0.39 -0.51 0.70 0.00 0.00 175.22 175.70 3f7u s LEU 147 N -0.36 4.45 -0.09 -0.37 1.43 -1.26 0.58 118.68 123.06 3f7u s LEU 147 Ca 0.03 0.89 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 3f7u s LEU 147 Cb -0.11 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.57 3f7u s LEU 147 CO 0.01 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.00 3f7u s VAL 148 N -0.89 1.75 0.25 -1.59 1.01 -0.65 -0.25 120.40 120.03 3f7u s VAL 148 Ca 0.23 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.44 3f7u s VAL 148 Cb -0.16 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3f7u s VAL 148 CO 0.12 0.49 -0.10 -1.83 0.00 0.00 0.00 175.10 173.78 3f7u s GLU 149 N 0.41 1.46 0.19 2.72 -1.05 -0.51 -0.77 118.70 121.15 3f7u s GLU 149 Ca -0.17 -1.70 -0.30 0.00 -0.15 0.00 0.00 54.97 52.65 3f7u s GLU 149 Cb -0.17 -1.15 -0.09 0.00 -0.44 0.00 0.00 34.13 32.28 3f7u s GLU 149 CO 0.07 0.11 1.32 0.00 0.95 0.00 0.00 175.26 177.71 3f7u s ALA 150 N -2.99 3.53 0.47 -0.84 0.00 -1.26 -2.01 121.76 118.67 3f7u s ALA 150 Ca 0.26 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3f7u s ALA 150 Cb 0.02 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3f7u s ALA 150 CO 0.10 -0.55 0.24 0.20 0.00 0.00 0.00 175.76 175.75 3f7u s GLY 151 N 0.41 2.43 0.02 0.00 0.00 0.20 -4.79 107.32 105.59 3f7u s GLY 151 Ca 0.57 -1.59 0.26 0.00 0.00 0.00 0.00 44.72 43.95 3f7u s GLY 151 CO 0.38 -1.94 1.49 -1.30 0.00 0.00 0.00 173.10 171.73 3f7u n THR 151 N -1.43 0.06 -4.17 0.90 -2.24 -1.26 -3.94 114.28 102.19 3f7u n THR 151 Ca -0.03 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 3f7u n THR 151 Cb 0.65 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 3f7u n THR 151 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3f7u s GLN 152 N -3.03 2.64 0.20 -0.78 -1.52 -1.26 -4.98 119.66 110.92 3f7u s GLN 152 Ca 0.11 -0.76 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 3f7u s GLN 152 Cb 0.17 -2.59 -0.10 0.00 -0.22 0.00 0.00 33.01 30.27 3f7u s GLN 152 CO 0.67 0.57 1.55 0.08 -0.25 0.00 0.00 175.29 177.91 3f7u s VAL 153 N -1.25 2.55 -0.72 1.09 1.01 -1.26 -3.36 120.40 118.46 3f7u s VAL 153 Ca 0.24 0.41 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 3f7u s VAL 153 Cb -0.12 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.06 3f7u s VAL 153 CO 0.16 0.04 1.10 0.21 0.00 0.00 0.00 175.10 176.62 3f7u s ASN 154 N 0.90 6.20 0.46 3.32 3.84 -1.26 -4.91 114.94 123.50 3f7u s ASN 154 Ca 0.67 -0.87 0.12 0.00 0.21 0.00 0.00 52.86 52.99 3f7u s ASN 154 Cb -0.44 -2.47 1.06 0.00 -0.55 0.00 0.00 41.25 38.85 3f7u s ASN 154 CO 0.36 -1.57 2.10 -0.33 -2.79 0.00 0.00 177.10 174.87 3f7u h GLU 155 N 9.71 0.28 -0.16 0.43 4.39 -1.94 -2.41 114.58 124.88 3f7u h GLU 155 Ca -0.24 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 3f7u h GLU 155 Cb 1.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3f7u h GLU 155 CO 1.22 0.18 -0.05 0.78 -1.16 0.00 0.00 179.01 179.99 3f7u h GLY 156 N 0.28 0.25 1.59 -3.84 0.00 -1.91 -2.47 103.07 96.97 3f7u h GLY 156 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3f7u h GLY 156 CO -0.02 0.13 0.00 0.69 0.00 0.00 0.00 176.54 177.34 3f7u n PHE 157 N -4.35 0.00 -0.21 5.60 3.01 -0.91 -4.35 117.46 116.25 3f7u n PHE 157 Ca -0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.36 3f7u n PHE 157 Cb 0.21 -0.29 0.02 0.00 -0.01 0.00 0.00 39.48 39.41 3f7u n PHE 157 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3f7u h GLN 158 N 0.00 1.03 -0.90 -1.08 1.08 -1.47 -1.42 115.11 112.35 3f7u h GLN 158 Ca 0.00 -0.31 0.08 0.00 -1.45 0.00 0.00 58.65 56.97 3f7u h GLN 158 Cb 0.29 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.55 3f7u h GLN 158 CO 0.00 1.00 0.55 -1.35 -0.95 0.00 0.00 178.83 178.08 3f7u h PRO 159 N 0.93 0.95 -0.07 1.46 0.11 -1.80 0.14 132.00 133.72 3f7u h PRO 159 Ca 0.17 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3f7u h PRO 159 Cb 0.51 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3f7u h PRO 159 CO 0.02 0.63 0.04 1.25 -0.21 0.00 0.00 178.00 179.73 3f7u h LEU 160 N 0.98 0.09 -1.03 2.35 5.85 -1.73 -1.60 115.31 120.21 3f7u h LEU 160 Ca 0.41 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3f7u h LEU 160 Cb 0.25 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3f7u h LEU 160 CO -0.20 0.14 0.47 0.58 -0.34 0.00 0.00 178.44 179.09 3f7u h VAL 161 N 0.03 1.24 -0.13 1.05 2.07 -0.74 -1.35 116.25 118.42 3f7u h VAL 161 Ca 0.03 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 3f7u h VAL 161 Cb 0.07 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3f7u h VAL 161 CO -0.00 0.26 -0.54 -0.33 0.02 0.00 0.00 177.57 176.98 3f7u h GLU 162 N 1.16 0.37 0.00 1.57 5.08 -0.88 -2.85 114.58 119.03 3f7u h GLU 162 Ca 0.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3f7u h GLU 162 Cb -0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3f7u h GLU 162 CO -0.05 0.82 -0.06 0.00 -1.00 0.00 0.00 179.01 178.72 3f7u h ALA 163 N 1.14 1.37 -0.80 3.43 0.00 -0.22 -3.20 119.26 120.98 3f7u h ALA 163 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3f7u h ALA 163 Cb 1.04 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3f7u h ALA 163 CO 0.09 0.08 0.52 -0.07 0.00 0.00 0.00 179.25 179.87 3f7u h LEU 164 N 0.00 0.74 0.00 0.00 3.38 -1.27 0.65 115.31 118.80 3f7u h LEU 164 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f7u h LEU 164 Cb 0.18 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3f7u h LEU 164 CO 0.01 0.47 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 3f7u n SER 165 N -4.49 0.00 -0.34 -0.43 3.41 -1.21 -0.98 113.62 109.58 3f7u n SER 165 Ca 0.12 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 3f7u n SER 165 Cb 0.24 -0.43 0.27 0.00 -0.26 0.00 0.00 64.21 64.03 3f7u n SER 165 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3f7u n ASN 166 N -1.43 1.37 -2.71 4.04 3.02 0.22 -4.29 115.26 115.47 3f7u n ASN 166 Ca 0.05 -1.12 -0.19 0.00 -0.03 0.00 0.00 54.58 53.29 3f7u n ASN 166 Cb 0.16 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3f7u n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3f7u n ILE 167 N -0.40 1.55 0.21 2.41 -5.35 -0.15 -4.68 119.36 112.94 3f7u n ILE 167 Ca 0.12 -4.24 0.05 0.00 -0.27 0.00 0.00 62.75 58.41 3f7u n ILE 167 Cb 0.39 -0.39 0.52 0.00 -1.74 0.00 0.00 39.64 38.42 3f7u n ILE 167 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3f7u h PRO 168 N 2.86 0.05 -6.60 6.28 0.13 -1.74 -3.42 132.00 129.56 3f7u h PRO 168 Ca 0.09 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.56 3f7u h PRO 168 Cb 0.97 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.91 3f7u h PRO 168 CO 0.66 0.17 -0.81 0.15 -0.23 0.00 0.00 178.00 177.94 3f7u s LYS 169 N -4.79 1.57 0.49 0.86 1.02 -1.26 -1.09 119.74 116.54 3f7u s LYS 169 Ca -0.05 -1.50 -0.21 0.00 0.02 0.00 0.00 55.97 54.23 3f7u s LYS 169 Cb 0.16 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 3f7u s LYS 169 CO 0.70 0.40 0.81 -0.35 -0.92 0.00 0.00 175.35 175.99 3f7u n PRO 170 N 0.25 0.93 -1.02 -1.68 -0.04 -1.26 -2.40 135.00 129.78 3f7u n PRO 170 Ca -0.12 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 3f7u n PRO 170 Cb 0.56 -1.90 -0.00 0.00 -0.04 0.00 0.00 33.50 32.12 3f7u n PRO 170 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3f7u n GLU 171 N -0.06 -0.49 -4.00 0.54 1.02 -0.36 -4.89 120.64 112.40 3f7u n GLU 171 Ca 0.11 0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 57.13 3f7u n GLU 171 Cb 0.43 -3.61 -0.05 0.00 -0.02 0.00 0.00 31.44 28.19 3f7u n GLU 171 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3f7u s MET 172 N -0.72 3.12 0.02 3.49 -1.94 -1.01 -5.00 119.30 117.26 3f7u s MET 172 Ca 0.00 -0.58 -0.05 0.00 -1.71 0.00 0.00 55.69 53.35 3f7u s MET 172 Cb 0.00 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 3f7u s MET 172 CO 0.00 0.59 0.08 0.45 -0.01 0.00 0.00 175.02 176.13 3f7u s SER 173 N -2.42 0.14 0.33 3.03 0.15 -1.26 -2.33 113.70 111.34 3f7u s SER 173 Ca 0.31 -0.42 -0.14 0.00 0.70 0.00 0.00 55.95 56.40 3f7u s SER 173 Cb -0.13 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 3f7u s SER 173 CO 0.24 -0.42 0.67 0.28 1.20 0.00 0.00 173.24 175.21 3f7u s THR 174 N -1.95 0.00 -0.12 6.45 -1.32 0.14 -4.91 115.64 113.94 3f7u s THR 174 Ca -0.11 -1.17 -0.00 0.00 -1.21 0.00 0.00 61.69 59.20 3f7u s THR 174 Cb -0.05 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 3f7u s THR 174 CO -0.02 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.40 3f7u s THR 175 N -3.11 3.29 0.40 5.08 2.01 -1.26 -0.24 115.64 121.81 3f7u s THR 175 Ca 0.18 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 3f7u s THR 175 Cb -0.04 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 3f7u s THR 175 CO 0.11 0.54 0.81 -0.04 -0.69 0.00 0.00 174.62 175.35 3f7u s MET 176 N 0.07 3.92 0.73 4.92 -1.94 0.11 -4.96 119.30 122.14 3f7u s MET 176 Ca -0.04 0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 54.45 3f7u s MET 176 Cb -0.14 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.34 3f7u s MET 176 CO 0.04 -0.01 0.79 0.00 -0.01 0.00 0.00 175.02 175.83 3f7u n ALA 177 N -0.97 -0.79 -1.59 3.03 0.00 -1.26 -3.97 120.51 114.96 3f7u n ALA 177 Ca 0.04 -0.22 -0.54 0.00 0.00 0.00 0.00 53.44 52.72 3f7u n ALA 177 Cb 0.54 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 3f7u n ALA 177 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3f7u n GLU 178 N -1.44 0.88 -3.87 0.00 -0.58 -1.26 -4.68 120.64 109.69 3f7u n GLU 178 Ca 0.12 0.32 -0.08 0.00 -0.42 0.00 0.00 57.16 57.10 3f7u n GLU 178 Cb 0.50 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 3f7u n GLU 178 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f7u s SER 179 N 0.74 -0.24 0.42 1.62 1.04 -0.77 -4.88 113.70 111.63 3f7u s SER 179 Ca 0.88 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 56.74 3f7u s SER 179 Cb -1.04 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 65.73 3f7u s SER 179 CO 0.52 -1.30 0.18 -0.94 0.98 0.00 0.00 173.24 172.68 3f7u s SER 180 N -2.93 4.41 0.18 7.02 1.04 -1.26 -0.36 113.70 121.80 3f7u s SER 180 Ca 0.12 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 3f7u s SER 180 Cb -0.05 -0.39 0.07 0.00 0.10 0.00 0.00 66.02 65.74 3f7u s SER 180 CO 0.07 -0.58 1.63 -0.07 0.98 0.00 0.00 173.24 175.26 3f7u h LEU 181 N 1.40 1.05 -2.09 2.42 3.38 -1.56 -3.08 115.31 116.83 3f7u h LEU 181 Ca -0.43 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.22 3f7u h LEU 181 Cb 1.26 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3f7u h LEU 181 CO 0.70 1.12 -0.01 -0.07 0.09 0.00 0.00 178.44 180.27 3f7u h LEU 182 N 0.96 0.00 -1.15 1.67 -0.00 -1.44 -1.87 115.31 113.48 3f7u h LEU 182 Ca 0.16 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.17 3f7u h LEU 182 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.19 3f7u h LEU 182 CO 0.04 0.01 0.60 0.44 -0.00 0.00 0.00 178.44 179.53 3f7u h ASP 183 N 0.00 0.80 1.41 -0.43 3.32 -1.81 -2.48 116.42 117.24 3f7u h ASP 183 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3f7u h ASP 183 Cb 0.02 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3f7u h ASP 183 CO 0.00 0.42 0.00 0.18 -1.72 0.00 0.00 179.24 178.12 3f7u n LEU 184 N -4.58 0.83 -4.73 1.55 4.77 -0.70 -4.33 117.00 109.79 3f7u n LEU 184 Ca 0.18 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.52 3f7u n LEU 184 Cb 0.39 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3f7u n LEU 184 CO 0.29 -0.23 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.14 3f7u s LEU 185 N -4.58 3.38 1.03 2.23 1.43 -0.93 -4.96 118.68 116.29 3f7u s LEU 185 Ca 0.10 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 3f7u s LEU 185 Cb 0.12 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 44.65 3f7u s LEU 185 CO 0.58 -0.15 1.08 -2.84 0.23 0.00 0.00 176.35 175.24 3f7u s PRO 186 N -3.80 0.15 0.00 1.29 0.02 -1.26 -4.99 135.00 126.40 3f7u s PRO 186 Ca 0.35 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.40 3f7u s PRO 186 Cb -0.05 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.80 3f7u s PRO 186 CO 0.23 -3.06 0.00 1.63 -0.33 0.00 0.00 177.00 175.47 3f7u n LYS 187 N -4.48 2.68 0.00 5.54 5.02 -1.26 -4.89 118.16 120.77 3f7u n LYS 187 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3f7u n LYS 187 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 3f7u n LYS 187 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3f7u n GLU 187 N 0.00 0.00 -0.19 1.97 0.28 -1.26 -3.50 120.64 117.94 3f7u n GLU 187 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 3f7u n GLU 187 Cb 0.00 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.14 3f7u n GLU 187 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3f7u n LYS 188 N 0.00 2.17 -0.73 3.44 5.02 -1.26 -4.06 118.16 122.73 3f7u n LYS 188 Ca 0.00 -1.78 0.08 0.00 -2.02 0.00 0.00 58.31 54.58 3f7u n LYS 188 Cb 0.00 -1.44 0.37 0.00 -0.02 0.00 0.00 35.03 33.94 3f7u n LYS 188 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f7u n LEU 189 N 0.98 5.09 0.18 -0.35 4.77 -1.23 -4.37 117.00 122.07 3f7u n LEU 189 Ca 0.18 -2.58 0.04 0.00 -0.03 0.00 0.00 56.01 53.62 3f7u n LEU 189 Cb 0.46 -0.63 0.29 0.00 -2.33 0.00 0.00 43.42 41.22 3f7u n LEU 189 CO 0.14 0.69 0.64 0.03 -1.33 0.00 0.00 177.39 177.56 3f7u h ARG 189 N 3.89 0.00 -5.20 3.23 3.08 -1.93 -3.44 114.38 114.00 3f7u h ARG 189 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3f7u h ARG 189 Cb 1.67 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.59 3f7u h ARG 189 CO 0.35 0.43 -0.43 -1.01 -1.07 0.00 0.00 179.97 178.24 3f7u s HIS 190 N -3.59 3.35 0.07 3.04 3.76 -1.26 -4.78 115.29 115.89 3f7u s HIS 190 Ca -0.00 0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.99 3f7u s HIS 190 Cb 0.11 -2.31 0.08 0.00 1.11 0.00 0.00 32.58 31.57 3f7u s HIS 190 CO 0.70 0.09 0.68 1.52 -0.85 0.00 0.00 174.74 176.89 3f7u s TYR 191 N 0.97 -0.53 0.15 1.40 -0.85 -1.26 -1.93 117.35 115.30 3f7u s TYR 191 Ca 0.10 0.51 -0.00 0.00 -0.52 0.00 0.00 57.07 57.16 3f7u s TYR 191 Cb -0.13 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 3f7u s TYR 191 CO 0.04 -0.73 0.31 -0.06 -1.52 0.00 0.00 175.55 173.60 3f7u s PHE 192 N -2.96 3.49 -0.04 -3.49 0.08 0.03 -1.53 117.98 113.57 3f7u s PHE 192 Ca -0.01 0.27 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 3f7u s PHE 192 Cb -0.01 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3f7u s PHE 192 CO -0.07 0.48 0.09 0.50 -0.10 0.00 0.00 175.22 176.12 3f7u s ARG 193 N -3.04 0.10 0.26 0.44 6.06 0.10 -2.06 118.95 120.82 3f7u s ARG 193 Ca 0.37 0.14 -0.21 0.00 -2.50 0.00 0.00 55.73 53.53 3f7u s ARG 193 Cb -0.12 0.03 0.02 0.00 0.06 0.00 0.00 34.95 34.95 3f7u s ARG 193 CO 0.28 -0.03 0.69 1.52 -2.50 0.00 0.00 175.30 175.26 3f7u s TYR 194 N 0.15 -0.20 -0.15 5.12 1.13 -1.10 -1.25 117.35 121.05 3f7u s TYR 194 Ca -0.01 -0.23 -0.06 0.00 -1.41 0.00 0.00 57.07 55.37 3f7u s TYR 194 Cb -0.02 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 3f7u s TYR 194 CO -0.00 -1.18 0.06 -0.51 -2.51 0.00 0.00 175.55 171.41 3f7u s LEU 195 N -2.91 3.84 0.00 -3.49 1.43 -1.26 -0.19 118.68 116.11 3f7u s LEU 195 Ca 0.10 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3f7u s LEU 195 Cb -0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3f7u s LEU 195 CO 0.05 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3f7u n GLY 196 N 2.95 2.79 3.42 -3.19 0.00 -0.08 -4.90 105.19 106.19 3f7u n GLY 196 Ca -0.18 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3f7u n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7u s SER 197 N 2.00 2.06 0.45 1.61 1.04 -1.18 -2.24 113.70 117.43 3f7u s SER 197 Ca 0.00 -1.47 -0.24 0.00 0.48 0.00 0.00 55.95 54.72 3f7u s SER 197 Cb 0.00 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 66.22 3f7u s SER 197 CO 0.00 -0.75 1.23 -0.76 0.98 0.00 0.00 173.24 173.94 3f7u s LEU 198 N -3.46 4.07 0.00 2.42 1.43 -0.76 -4.46 118.68 117.93 3f7u s LEU 198 Ca 0.34 2.46 0.14 0.00 -1.03 0.00 0.00 54.13 56.04 3f7u s LEU 198 Cb 0.07 -4.13 0.44 0.00 0.03 0.00 0.00 46.19 42.60 3f7u s LEU 198 CO 0.15 -0.95 1.35 0.35 0.23 0.00 0.00 176.35 177.48 3f7u n THR 199 N -0.32 0.45 -4.23 5.49 -2.24 -1.26 -4.31 114.28 107.87 3f7u n THR 199 Ca 0.06 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 3f7u n THR 199 Cb 0.46 0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.88 3f7u n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f7u s THR 200 N -1.55 1.32 0.31 4.28 -4.23 -1.26 -4.68 115.64 109.83 3f7u s THR 200 Ca 0.28 -1.61 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 3f7u s THR 200 Cb 0.15 -1.44 -0.14 0.00 1.34 0.00 0.00 72.50 72.42 3f7u s THR 200 CO 0.20 -0.34 1.03 -2.65 -0.54 0.00 0.00 174.62 172.32 3f7u n PRO 201 N 0.74 1.42 -0.32 3.99 -0.02 -1.26 -0.26 135.00 139.30 3f7u n PRO 201 Ca -0.17 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 3f7u n PRO 201 Cb 0.56 -1.91 0.16 0.00 -0.02 0.00 0.00 33.50 32.29 3f7u n PRO 201 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f7u n THR 202 N 0.15 0.95 -2.71 3.45 -2.24 -1.26 -4.99 114.28 107.63 3f7u n THR 202 Ca 0.09 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.14 3f7u n THR 202 Cb 0.33 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3f7u n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7u s ASP 204 N -2.36 6.37 -1.31 0.00 1.11 -1.26 -4.29 116.67 114.94 3f7u s ASP 204 Ca 0.15 2.97 -0.11 0.00 0.18 0.00 0.00 52.55 55.75 3f7u s ASP 204 Cb -0.07 -2.64 0.14 0.00 1.07 0.00 0.00 42.92 41.42 3f7u s ASP 204 CO 0.18 -0.90 1.91 -0.62 1.18 0.00 0.00 175.17 176.93 3f7u n GLU 205 N 1.71 3.47 -0.99 8.23 1.02 -1.26 -1.82 120.64 130.99 3f7u n GLU 205 Ca 0.06 -3.38 0.02 0.00 -0.02 0.00 0.00 57.16 53.84 3f7u n GLU 205 Cb 0.38 -3.00 0.01 0.00 -0.02 0.00 0.00 31.44 28.80 3f7u n GLU 205 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3f7u n LYS 206 N 4.41 0.00 -4.56 3.49 2.85 -1.12 -4.54 118.16 118.70 3f7u n LYS 206 Ca 0.42 -1.45 -0.34 0.00 -1.05 0.00 0.00 58.31 55.89 3f7u n LYS 206 Cb 0.37 -0.23 -0.12 0.00 -0.65 0.00 0.00 35.03 34.40 3f7u n LYS 206 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3f7u s VAL 207 N 0.00 3.63 -0.27 0.58 1.01 -0.95 -1.16 120.40 123.24 3f7u s VAL 207 Ca 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3f7u s VAL 207 Cb 0.19 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3f7u s VAL 207 CO -0.08 0.53 0.39 0.54 0.00 0.00 0.00 175.10 176.47 3f7u s VAL 208 N 0.05 5.16 0.02 2.92 0.11 0.42 -0.90 120.40 128.19 3f7u s VAL 208 Ca -0.02 0.59 -0.22 0.00 -2.93 0.00 0.00 61.98 59.40 3f7u s VAL 208 Cb -0.14 -3.71 -0.06 0.00 -1.53 0.00 0.00 36.38 30.94 3f7u s VAL 208 CO 0.03 0.14 0.66 0.26 -3.33 0.00 0.00 175.10 172.87 3f7u s TRP 209 N 2.09 3.72 -0.12 1.54 0.52 0.74 -1.59 118.94 125.84 3f7u s TRP 209 Ca 0.15 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.59 3f7u s TRP 209 Cb -0.16 -2.68 0.02 0.00 -1.15 0.00 0.00 33.47 29.50 3f7u s TRP 209 CO 0.10 0.34 -0.11 0.99 0.02 0.00 0.00 176.95 178.29 3f7u s THR 210 N -0.23 1.27 -0.26 2.01 2.01 -0.72 -2.70 115.64 117.02 3f7u s THR 210 Ca 0.34 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 3f7u s THR 210 Cb -0.19 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.13 3f7u s THR 210 CO 0.20 0.41 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 3f7u s VAL 211 N 1.46 2.81 0.33 3.82 1.01 -0.87 -0.47 120.40 128.48 3f7u s VAL 211 Ca 0.02 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 3f7u s VAL 211 Cb -0.13 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3f7u s VAL 211 CO -0.07 0.11 1.11 -0.36 0.00 0.00 0.00 175.10 175.88 3f7u s PHE 212 N 1.28 3.41 0.04 5.22 0.40 -0.84 -0.79 117.98 126.70 3f7u s PHE 212 Ca -0.02 1.65 0.13 0.00 -0.60 0.00 0.00 56.93 58.10 3f7u s PHE 212 Cb -0.18 -3.28 0.16 0.00 0.51 0.00 0.00 43.02 40.23 3f7u s PHE 212 CO -0.04 -0.73 1.48 -0.09 0.70 0.00 0.00 175.22 176.54 3f7u h ARG 213 N 3.33 0.00 -6.12 0.44 2.43 -1.73 -3.43 114.38 109.30 3f7u h ARG 213 Ca -0.47 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 3f7u h ARG 213 Cb 1.22 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 3f7u h ARG 213 CO 0.65 0.62 0.76 -2.00 -1.51 0.00 0.00 179.97 178.49 3f7u s GLU 214 N -3.10 4.29 0.46 0.20 2.56 -1.26 -5.02 118.70 116.83 3f7u s GLU 214 Ca 0.02 1.39 -0.20 0.00 0.00 0.00 0.00 54.97 56.17 3f7u s GLU 214 Cb 0.09 -3.63 -0.10 0.00 2.00 0.00 0.00 34.13 32.50 3f7u s GLU 214 CO 0.75 -0.57 0.99 -1.25 -0.56 0.00 0.00 175.26 174.62 3f7u s PRO 215 N 2.97 4.02 0.16 4.30 0.05 -1.26 -4.61 135.00 140.63 3f7u s PRO 215 Ca 0.46 1.20 -0.30 0.00 0.05 0.00 0.00 61.00 62.41 3f7u s PRO 215 Cb -0.16 -2.14 -0.07 0.00 0.05 0.00 0.00 34.50 32.18 3f7u s PRO 215 CO 0.09 -0.22 1.03 0.42 0.05 0.00 0.00 177.00 178.38 3f7u s ILE 216 N -2.14 4.12 -0.21 0.56 1.01 0.65 -4.85 121.20 120.34 3f7u s ILE 216 Ca 0.64 1.83 -0.08 0.00 0.00 0.00 0.00 60.65 63.03 3f7u s ILE 216 Cb -0.12 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3f7u s ILE 216 CO 0.17 0.31 0.09 -1.10 0.00 0.00 0.00 174.94 174.42 3f7u s GLN 217 N -0.29 3.95 0.06 2.79 -0.21 -1.26 -1.43 119.66 123.26 3f7u s GLN 217 Ca 0.48 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.57 3f7u s GLN 217 Cb -0.27 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 3f7u s GLN 217 CO 0.33 0.14 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.97 3f7u s LEU 218 N 0.77 2.22 0.33 2.90 1.02 -0.85 -4.56 118.68 120.52 3f7u s LEU 218 Ca 0.05 -0.54 -0.29 0.00 0.02 0.00 0.00 54.13 53.37 3f7u s LEU 218 Cb -0.13 -0.61 -0.10 0.00 0.02 0.00 0.00 46.19 45.37 3f7u s LEU 218 CO 0.02 -0.00 1.35 -2.28 0.02 0.00 0.00 176.35 175.46 3f7u s HIS 219 N -1.04 2.98 0.36 0.29 5.65 -1.21 0.63 115.29 122.93 3f7u s HIS 219 Ca 0.01 1.33 0.15 0.00 0.25 0.00 0.00 55.06 56.80 3f7u s HIS 219 Cb -0.09 -3.75 1.05 0.00 -1.18 0.00 0.00 32.58 28.61 3f7u s HIS 219 CO 0.02 -2.13 1.71 0.00 -0.65 0.00 0.00 174.74 173.69 3f7u h ARG 220 N 3.54 0.40 0.00 2.88 3.08 -1.91 0.28 114.38 122.65 3f7u h ARG 220 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3f7u h ARG 220 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3f7u h ARG 220 CO 0.67 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 180.22 3f7u n GLU 221 N -4.86 0.24 0.04 0.04 1.02 -1.26 -1.79 120.64 114.07 3f7u n GLU 221 Ca 0.29 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.47 3f7u n GLU 221 Cb 0.92 -1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 3f7u n GLU 221 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3f7u h GLN 222 N 0.00 0.65 -0.34 3.49 4.20 -0.82 -2.84 115.11 119.46 3f7u h GLN 222 Ca 0.00 -0.71 0.02 0.00 0.06 0.00 0.00 58.65 58.02 3f7u h GLN 222 Cb 0.68 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3f7u h GLN 222 CO 0.00 1.29 0.19 0.82 -0.67 0.00 0.00 178.83 180.46 3f7u h ILE 223 N 0.31 1.02 0.00 2.54 2.04 -1.30 -2.90 117.51 119.21 3f7u h ILE 223 Ca -0.12 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 3f7u h ILE 223 Cb 1.63 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3f7u h ILE 223 CO 0.19 0.07 -0.23 -0.07 0.00 0.00 0.00 178.15 178.12 3f7u h LEU 224 N 0.39 0.00 -1.62 1.44 3.38 -1.40 -2.14 115.31 115.35 3f7u h LEU 224 Ca 0.14 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.25 3f7u h LEU 224 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3f7u h LEU 224 CO -0.08 0.23 0.48 0.00 0.09 0.00 0.00 178.44 179.16 3f7u h ALA 225 N 1.77 2.13 -0.20 1.53 0.00 -1.28 -0.03 119.26 123.18 3f7u h ALA 225 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3f7u h ALA 225 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3f7u h ALA 225 CO 0.03 -0.32 0.08 0.74 0.00 0.00 0.00 179.25 179.78 3f7u h PHE 226 N 0.38 0.15 0.00 0.00 -1.00 -1.48 -0.48 116.94 114.51 3f7u h PHE 226 Ca 0.35 0.01 -0.12 0.00 2.81 0.00 0.00 57.97 61.02 3f7u h PHE 226 Cb 0.81 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 3f7u h PHE 226 CO -0.00 0.08 -0.55 0.66 -1.61 0.00 0.00 178.31 176.89 3f7u h SER 227 N 0.18 0.00 0.98 2.17 4.64 -1.47 -2.73 113.55 117.32 3f7u h SER 227 Ca 0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3f7u h SER 227 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3f7u h SER 227 CO -0.07 0.55 -0.59 1.56 -0.87 0.00 0.00 176.83 177.40 3f7u h GLN 227 N 0.00 0.00 0.00 4.77 4.20 -0.78 -3.37 115.11 119.93 3f7u h GLN 227 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3f7u h GLN 227 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3f7u h GLN 227 CO 0.07 0.59 -1.57 1.63 -0.67 0.00 0.00 178.83 178.89 3f7u n LYS 228 N -3.48 0.73 -4.27 1.46 5.02 -0.21 -5.01 118.16 112.40 3f7u n LYS 228 Ca 0.00 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 3f7u n LYS 228 Cb 0.68 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 3f7u n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f7u s LEU 229 N -3.88 2.86 0.11 -0.35 1.43 -1.03 -4.33 118.68 113.49 3f7u s LEU 229 Ca -0.04 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3f7u s LEU 229 Cb 0.11 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3f7u s LEU 229 CO 0.70 0.18 -0.20 -0.31 0.23 0.00 0.00 176.35 176.94 3f7u s TYR 230 N -1.18 1.78 0.18 0.29 1.51 -0.25 -0.03 117.35 119.65 3f7u s TYR 230 Ca 0.20 -0.43 0.17 0.00 -1.01 0.00 0.00 57.07 56.00 3f7u s TYR 230 Cb -0.11 -0.96 0.59 0.00 -0.11 0.00 0.00 41.96 41.38 3f7u s TYR 230 CO 0.12 0.23 1.70 1.88 -1.11 0.00 0.00 175.55 178.37 3f7u h TYR 231 N 3.90 0.00 -3.90 2.71 0.05 -1.33 -3.39 116.97 115.01 3f7u h TYR 231 Ca -0.45 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.71 3f7u h TYR 231 Cb 1.19 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.71 3f7u h TYR 231 CO 0.63 0.43 -0.85 0.16 -1.05 0.00 0.00 178.16 177.48 3f7u s ASP 232 N -6.52 2.90 0.16 3.88 -4.77 -1.26 -4.63 116.67 106.44 3f7u s ASP 232 Ca -0.00 -0.72 0.17 0.00 -3.30 0.00 0.00 52.55 48.70 3f7u s ASP 232 Cb 0.11 -0.18 0.78 0.00 -1.09 0.00 0.00 42.92 42.55 3f7u s ASP 232 CO 0.70 0.11 1.54 0.29 0.70 0.00 0.00 175.17 178.51 3f7u n LYS 233 N 0.98 0.10 -0.13 2.11 5.02 -1.26 -1.54 118.16 123.45 3f7u n LYS 233 Ca -0.19 0.43 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3f7u n LYS 233 Cb 0.53 -1.74 0.31 0.00 -0.02 0.00 0.00 35.03 34.11 3f7u n LYS 233 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f7u n GLU 236 N -1.94 1.97 -3.79 1.97 4.71 -1.26 -4.92 120.64 117.38 3f7u n GLU 236 Ca 0.02 -1.47 -0.27 0.00 -0.01 0.00 0.00 57.16 55.43 3f7u n GLU 236 Cb 0.15 -1.42 0.01 0.00 -1.01 0.00 0.00 31.44 29.17 3f7u n GLU 236 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f7u n GLN 237 N 0.69 -2.89 -0.00 3.49 6.02 -0.59 -4.93 117.38 119.17 3f7u n GLN 237 Ca 0.17 0.47 0.02 0.00 -0.01 0.00 0.00 57.00 57.65 3f7u n GLN 237 Cb 0.41 -4.54 -0.03 0.00 1.02 0.00 0.00 30.24 27.10 3f7u n GLN 237 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f7u n THR 238 N -4.28 0.00 -3.88 5.09 -2.24 -1.26 -4.92 114.28 102.79 3f7u n THR 238 Ca -0.23 -0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 3f7u n THR 238 Cb 0.65 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.50 3f7u n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f7u s VAL 239 N -1.76 1.20 0.45 2.28 1.01 -1.26 -5.08 120.40 117.24 3f7u s VAL 239 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 3f7u s VAL 239 Cb 0.03 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3f7u s VAL 239 CO 0.19 -0.07 1.31 -1.20 0.00 0.00 0.00 175.10 175.34 3f7u n SER 240 N 4.81 2.70 -4.65 3.32 7.64 -1.26 -1.03 113.62 125.15 3f7u n SER 240 Ca -0.11 1.08 -0.43 0.00 1.01 0.00 0.00 58.87 60.42 3f7u n SER 240 Cb 0.46 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 3f7u n SER 240 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3f7u s MET 241 N -2.39 4.16 0.05 1.43 0.00 0.95 -4.58 119.30 118.92 3f7u s MET 241 Ca 0.63 1.13 -0.28 0.00 0.00 0.00 0.00 55.69 57.17 3f7u s MET 241 Cb -0.48 -3.68 0.10 0.00 0.00 0.00 0.00 34.83 30.77 3f7u s MET 241 CO 0.56 -0.71 1.16 -1.59 0.00 0.00 0.00 175.02 174.44 3f7u s LYS 242 N 3.27 0.72 -1.21 4.11 -2.85 -1.26 -3.99 119.74 118.52 3f7u s LYS 242 Ca 0.42 -0.40 -0.07 0.00 -1.00 0.00 0.00 55.97 54.93 3f7u s LYS 242 Cb -0.14 0.24 0.05 0.00 -2.06 0.00 0.00 37.83 35.92 3f7u s LYS 242 CO 0.10 -0.33 0.37 -0.25 0.10 0.00 0.00 175.35 175.34 3f7u n ASP 243 N -0.50 -3.84 -3.55 0.03 8.00 0.56 -4.89 116.55 112.36 3f7u n ASP 243 Ca -0.07 -0.23 -0.40 0.00 0.71 0.00 0.00 54.79 54.80 3f7u n ASP 243 Cb 0.62 -3.19 -0.01 0.00 -0.02 0.00 0.00 41.12 38.51 3f7u n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3f7u n ASN 244 N -2.17 5.61 -3.87 -2.24 6.94 -1.23 -4.68 115.26 113.61 3f7u n ASN 244 Ca -0.05 -2.71 -0.21 0.00 -0.02 0.00 0.00 54.58 51.59 3f7u n ASN 244 Cb 0.56 -1.57 -0.17 0.00 -2.36 0.00 0.00 39.78 36.25 3f7u n ASN 244 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3f7u s VAL 245 N 2.94 0.53 0.10 3.53 1.01 -1.26 -4.60 120.40 122.65 3f7u s VAL 245 Ca 0.56 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3f7u s VAL 245 Cb 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 3f7u s VAL 245 CO -0.06 0.24 0.92 -0.60 0.00 0.00 0.00 175.10 175.59 3f7u s ARG 246 N 1.11 4.66 0.96 2.72 3.52 -1.26 -4.83 118.95 125.82 3f7u s ARG 246 Ca -0.08 1.38 -0.11 0.00 -0.13 0.00 0.00 55.73 56.78 3f7u s ARG 246 Cb -0.14 -3.37 0.14 0.00 -1.56 0.00 0.00 34.95 30.02 3f7u s ARG 246 CO -0.01 0.23 0.95 -2.30 -0.81 0.00 0.00 175.30 173.36 3f7u n PRO 247 N 2.78 -0.66 -2.47 5.12 -0.02 -1.26 -4.74 135.00 133.74 3f7u n PRO 247 Ca 0.01 -0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 3f7u n PRO 247 Cb 0.49 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3f7u n PRO 247 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3f7u s LEU 248 N -5.41 3.94 0.19 2.45 1.43 -1.26 -4.49 118.68 115.53 3f7u s LEU 248 Ca 0.65 2.04 0.08 0.00 -1.03 0.00 0.00 54.13 55.87 3f7u s LEU 248 Cb -0.23 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 3f7u s LEU 248 CO 0.61 -0.77 -0.03 -1.10 0.23 0.00 0.00 176.35 175.29 3f7u s GLN 249 N -2.95 2.27 0.10 1.70 -1.52 0.69 -5.00 119.66 114.95 3f7u s GLN 249 Ca 0.65 -1.22 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 3f7u s GLN 249 Cb -0.20 -2.26 -0.06 0.00 -0.22 0.00 0.00 33.01 30.27 3f7u s GLN 249 CO 0.25 0.43 0.95 -0.65 -0.25 0.00 0.00 175.29 176.02 3f7u s GLN 250 N -3.03 4.68 0.27 2.91 -1.52 -1.26 -4.42 119.66 117.29 3f7u s GLN 250 Ca 0.27 1.43 -0.00 0.00 -1.95 0.00 0.00 55.36 55.11 3f7u s GLN 250 Cb -0.09 -3.38 0.55 0.00 -0.22 0.00 0.00 33.01 29.87 3f7u s GLN 250 CO 0.18 0.20 1.77 1.25 -0.25 0.00 0.00 175.29 178.44 3f7u h LEU 251 N 5.66 0.59 0.00 2.90 5.85 -1.91 -3.43 115.31 124.97 3f7u h LEU 251 Ca -0.43 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3f7u h LEU 251 Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3f7u h LEU 251 CO 0.72 0.25 0.00 0.61 -0.34 0.00 0.00 178.44 179.68 3f7u n GLY 252 N -1.33 3.88 0.00 3.75 0.00 -1.26 -2.56 105.19 107.68 3f7u n GLY 252 Ca 0.18 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3f7u n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f7u n GLN 253 N 13.79 0.97 -2.67 1.61 6.02 -1.26 -4.90 117.38 130.94 3f7u n GLN 253 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3f7u n GLN 253 Cb 0.00 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 3f7u n GLN 253 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3f7u s ARG 254 N -2.00 3.64 0.25 -1.09 0.52 -1.06 -5.09 118.95 114.12 3f7u s ARG 254 Ca 0.39 0.34 0.10 0.00 -0.52 0.00 0.00 55.73 56.04 3f7u s ARG 254 Cb 0.18 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 3f7u s ARG 254 CO 0.30 -0.16 -0.17 0.95 0.02 0.00 0.00 175.30 176.23 3f7u s THR 255 N -2.63 2.16 -0.05 0.02 -4.23 -1.26 -4.98 115.64 104.69 3f7u s THR 255 Ca 0.49 -2.32 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 3f7u s THR 255 Cb -0.10 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3f7u s THR 255 CO 0.40 -0.48 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.28 3f7u s VAL 256 N -2.71 3.90 0.34 2.29 1.01 -1.26 -4.70 120.40 119.28 3f7u s VAL 256 Ca 0.27 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3f7u s VAL 256 Cb -0.03 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 3f7u s VAL 256 CO 0.12 0.52 0.02 0.27 0.00 0.00 0.00 175.10 176.03 3f7u s ILE 257 N -0.91 1.52 0.02 2.22 -4.36 -0.38 -3.42 121.20 115.89 3f7u s ILE 257 Ca 0.15 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 3f7u s ILE 257 Cb -0.11 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.81 3f7u s ILE 257 CO 0.04 -0.05 0.23 -1.59 0.24 0.00 0.00 174.94 173.81 3f7u s LYS 258 N -3.81 0.68 0.00 0.37 -2.85 -0.56 0.00 119.74 113.57 3f7u s LYS 258 Ca 0.35 -0.49 0.27 0.00 -1.00 0.00 0.00 55.97 55.10 3f7u s LYS 258 Cb 0.08 0.29 1.60 0.00 -2.06 0.00 0.00 37.83 37.74 3f7u s LYS 258 CO 0.16 -0.19 1.95 -1.13 0.10 0.00 0.00 175.35 176.23