#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 -3.99 3.47 0.29 0.00 2.02 -1.26 -3.88 117.35 113.98 3f7u s TYR 7 Ca 0.20 0.66 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 3f7u s TYR 7 Cb 0.00 -2.33 0.65 0.00 -0.40 0.00 0.00 41.96 39.89 3f7u s TYR 7 CO 0.06 -0.33 1.79 1.49 -1.57 0.00 0.00 175.55 176.99 3f7u h GLU 8 N 0.24 0.76 -0.08 -0.62 4.22 -1.88 -1.32 114.58 115.90 3f7u h GLU 8 Ca -0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 58.88 3f7u h GLU 8 Cb 1.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3f7u h GLU 8 CO 0.61 0.51 -0.17 -0.24 -2.18 0.00 0.00 179.01 177.53 3f7u h VAL 9 N 0.79 1.17 -0.19 0.32 3.04 -1.91 -1.36 116.25 118.11 3f7u h VAL 9 Ca 0.53 -0.77 -0.11 0.00 -1.01 0.00 0.00 66.70 65.34 3f7u h VAL 9 Cb 0.75 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 3f7u h VAL 9 CO -0.35 0.23 -0.37 1.56 -1.01 0.00 0.00 177.57 177.63 3f7u h GLN 10 N 0.12 0.41 -0.16 4.17 4.20 -1.60 -3.11 115.11 119.14 3f7u h GLN 10 Ca 0.02 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3f7u h GLN 10 Cb 0.38 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3f7u h GLN 10 CO 0.03 0.73 -0.11 0.00 -0.67 0.00 0.00 178.83 178.80 3f7u h ALA 11 N 1.26 0.23 0.00 3.87 0.00 -1.21 -2.79 119.26 120.61 3f7u h ALA 11 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f7u h ALA 11 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3f7u h ALA 11 CO 0.07 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.78 3f7u n GLU 11 N -4.59 0.00 0.00 0.00 1.02 -0.58 -5.04 120.64 111.45 3f7u n GLU 11 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3f7u n GLU 11 Cb 0.33 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3f7u n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3f7u n SER 11 N 0.52 0.00 0.00 1.62 7.64 -1.06 -5.06 113.62 117.29 3f7u n SER 11 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3f7u n SER 11 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3f7u n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f7u s LEU 11 N -0.67 5.52 1.01 0.00 2.96 -1.26 -4.91 118.68 121.33 3f7u s LEU 11 Ca 0.00 -1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 52.50 3f7u s LEU 11 Cb 0.00 -2.24 0.20 0.00 0.50 0.00 0.00 46.19 44.64 3f7u s LEU 11 CO 0.00 -0.73 1.11 0.68 -1.32 0.00 0.00 176.35 176.09 3f7u s VAL 12 N 1.88 1.95 0.37 1.68 -7.23 -1.26 -1.68 120.40 116.12 3f7u s VAL 12 Ca 0.06 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.28 3f7u s VAL 12 Cb -0.24 -2.55 0.26 0.00 0.56 0.00 0.00 36.38 34.41 3f7u s VAL 12 CO 0.07 0.00 2.03 -0.65 -0.31 0.00 0.00 175.10 176.24 3f7u h PRO 13 N -1.92 0.72 0.00 4.82 0.11 -1.91 0.82 132.00 134.64 3f7u h PRO 13 Ca -0.53 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3f7u h PRO 13 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3f7u h PRO 13 CO 0.56 0.48 0.00 1.33 -0.21 0.00 0.00 178.00 180.15 3f7u n VAL 14 N -4.45 0.65 0.40 3.15 0.24 -1.26 -1.92 118.33 115.14 3f7u n VAL 14 Ca 0.05 0.16 0.06 0.00 -2.04 0.00 0.00 64.34 62.58 3f7u n VAL 14 Cb 0.05 -0.83 0.08 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.49 1.15 -1.37 7.34 4.76 0.20 -5.05 118.16 123.70 3f7u n LYS 15 Ca 0.05 -1.42 -0.37 0.00 -2.87 0.00 0.00 58.31 53.70 3f7u n LYS 15 Cb 0.22 -1.26 0.05 0.00 -1.84 0.00 0.00 35.03 32.20 3f7u n LYS 15 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 3f7u n TRP 16 N 0.71 -0.98 0.00 2.13 8.01 -0.67 -4.87 117.44 121.77 3f7u n TRP 16 Ca 0.09 0.40 0.00 0.00 -1.31 0.00 0.00 57.50 56.67 3f7u n TRP 16 Cb 0.34 -1.91 0.00 0.00 -2.01 0.00 0.00 31.31 27.73 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 1.83 1.28 4.19 6.99 0.00 -1.26 -4.54 105.19 113.67 3f7u n GLY 20 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.18 0.61 -0.02 0.00 -1.26 -0.70 105.19 110.00 3f7u n GLY 21 Ca 0.00 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.43 3f7u n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f7u n ASN 22 N 1.86 1.89 0.00 1.61 3.02 -0.92 -4.46 115.26 118.25 3f7u n ASN 22 Ca 0.00 -1.66 0.08 0.00 -0.03 0.00 0.00 54.58 52.97 3f7u n ASN 22 Cb 0.00 -0.05 0.39 0.00 -0.61 0.00 0.00 39.78 39.51 3f7u n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f7u n GLN 24 N -1.42 2.76 -0.02 0.00 1.13 -1.26 -4.99 117.38 113.58 3f7u n GLN 24 Ca 0.06 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.69 3f7u n GLN 24 Cb 0.17 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.99 3f7u n GLN 24 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3f7u n LYS 25 N -0.23 0.38 -0.04 -1.09 5.02 -0.98 -5.05 118.16 116.17 3f7u n LYS 25 Ca 0.16 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 3f7u n LYS 25 Cb 0.65 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.70 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 -2.00 2.03 -2.35 4.39 9.92 -1.26 -4.56 116.55 122.72 3f7u n ASP 26 Ca 0.00 -1.75 -0.21 0.00 -0.53 0.00 0.00 54.79 52.29 3f7u n ASP 26 Cb 0.00 -0.06 0.02 0.00 -0.64 0.00 0.00 41.12 40.44 3f7u n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3f7u n ARG 27 N -0.03 3.12 -3.08 -1.24 1.74 -1.26 -4.70 116.66 111.21 3f7u n ARG 27 Ca 0.04 -4.16 -0.31 0.00 -0.77 0.00 0.00 57.85 52.65 3f7u n ARG 27 Cb 0.25 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 29.55 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 -3.55 3.80 0.21 5.56 -1.52 -1.26 -3.19 119.66 119.71 3f7u s GLN 28 Ca 0.45 0.40 0.12 0.00 -1.95 0.00 0.00 55.36 54.38 3f7u s GLN 28 Cb 0.40 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 3f7u s GLN 28 CO -0.06 0.10 -0.23 -1.12 -0.25 0.00 0.00 175.29 173.73 3f7u s SER 29 N -2.86 3.48 0.77 5.90 0.01 -1.26 -4.68 113.70 115.06 3f7u s SER 29 Ca 0.50 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 3f7u s SER 29 Cb -0.10 -0.27 0.15 0.00 0.21 0.00 0.00 66.02 66.01 3f7u s SER 29 CO 0.27 0.10 1.03 -0.81 0.41 0.00 0.00 173.24 174.24 3f7u n PRO 30 N 0.06 -0.26 -4.11 12.44 -0.04 -1.26 -4.56 135.00 137.27 3f7u n PRO 30 Ca -0.11 -2.59 -0.11 0.00 -0.04 0.00 0.00 63.50 60.65 3f7u n PRO 30 Cb 0.57 -0.75 -0.08 0.00 -0.04 0.00 0.00 33.50 33.20 3f7u n PRO 30 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3f7u s ILE 31 N -3.15 0.01 0.14 0.52 -4.36 -1.26 0.10 121.20 113.20 3f7u s ILE 31 Ca 0.66 -1.75 -0.22 0.00 -0.26 0.00 0.00 60.65 59.08 3f7u s ILE 31 Cb -0.03 -2.33 -0.08 0.00 1.25 0.00 0.00 42.46 41.27 3f7u s ILE 31 CO 0.44 -0.05 0.69 0.21 0.24 0.00 0.00 174.94 176.48 3f7u s ASN 32 N -3.09 7.23 -0.27 4.36 2.47 -1.26 -3.07 114.94 121.30 3f7u s ASN 32 Ca 0.31 1.48 -0.04 0.00 0.42 0.00 0.00 52.86 55.03 3f7u s ASN 32 Cb 0.04 -2.44 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 3f7u s ASN 32 CO 0.10 0.22 0.01 -0.63 -3.72 0.00 0.00 177.10 173.07 3f7u s ILE 33 N -1.17 3.36 -0.67 -5.21 1.01 -0.05 -4.94 121.20 113.53 3f7u s ILE 33 Ca 0.34 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 3f7u s ILE 33 Cb -0.21 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.52 3f7u s ILE 33 CO 0.23 0.12 1.55 -0.69 0.00 0.00 0.00 174.94 176.14 3f7u s VAL 34 N 1.39 3.56 0.28 2.92 1.01 -1.26 -0.58 120.40 127.72 3f7u s VAL 34 Ca 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3f7u s VAL 34 Cb -0.17 -4.46 0.24 0.00 0.00 0.00 0.00 36.38 31.99 3f7u s VAL 34 CO -0.01 -1.40 1.93 0.71 0.00 0.00 0.00 175.10 176.33 3f7u h THR 35 N 6.43 1.23 0.00 3.92 1.35 -1.95 -0.39 112.91 123.50 3f7u h THR 35 Ca -0.27 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3f7u h THR 35 Cb 1.10 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3f7u h THR 35 CO 1.25 0.24 0.00 0.71 -0.25 0.00 0.00 175.52 177.47 3f7u h THR 36 N 1.16 0.00 -0.00 6.82 1.35 -2.03 -3.02 112.91 117.19 3f7u h THR 36 Ca 0.31 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3f7u h THR 36 Cb -0.07 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3f7u h THR 36 CO -0.06 0.00 -0.63 0.29 -0.25 0.00 0.00 175.52 174.87 3f7u n LYS 37 N -2.30 0.26 -2.58 4.72 5.02 -0.19 -4.83 118.16 118.27 3f7u n LYS 37 Ca 0.05 -0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 3f7u n LYS 37 Cb 0.39 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.87 3.62 0.33 7.82 0.00 -1.02 -4.93 121.76 124.72 3f7u s ALA 38 Ca 0.13 0.33 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 3f7u s ALA 38 Cb 0.17 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3f7u s ALA 38 CO 0.72 -0.99 1.06 0.15 0.00 0.00 0.00 175.76 176.70 3f7u s LYS 39 N 3.01 4.44 0.18 0.00 1.02 -1.24 -4.62 119.74 122.52 3f7u s LYS 39 Ca 0.49 1.63 -0.31 0.00 0.02 0.00 0.00 55.97 57.79 3f7u s LYS 39 Cb -0.18 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 3f7u s LYS 39 CO 0.12 0.08 1.56 0.08 -0.92 0.00 0.00 175.35 176.27 3f7u s VAL 40 N -1.40 2.59 -0.24 3.17 1.01 -1.26 -1.03 120.40 123.23 3f7u s VAL 40 Ca 0.50 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3f7u s VAL 40 Cb -0.27 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 32.89 3f7u s VAL 40 CO 0.34 0.04 -0.13 -0.62 0.00 0.00 0.00 175.10 174.73 3f7u s ASP 41 N 1.07 4.17 0.51 3.32 -1.08 0.47 -4.86 116.67 120.27 3f7u s ASP 41 Ca 0.69 -1.24 0.34 0.00 -0.52 0.00 0.00 52.55 51.82 3f7u s ASP 41 Cb -0.44 -1.53 1.69 0.00 -1.46 0.00 0.00 42.92 41.18 3f7u s ASP 41 CO 0.32 -0.15 2.04 0.11 0.52 0.00 0.00 175.17 178.01 3f7u h LYS 42 N 7.81 0.00 0.00 4.34 1.57 -1.95 -0.99 116.57 127.35 3f7u h LYS 42 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3f7u h LYS 42 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3f7u h LYS 42 CO 0.49 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.00 3f7u n LYS 43 N -2.82 0.29 -2.69 3.15 5.02 -1.26 -4.39 118.16 115.46 3f7u n LYS 43 Ca -0.01 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3f7u n LYS 43 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3f7u n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f7u s LEU 44 N -2.65 4.13 0.00 -0.35 1.43 -0.38 -4.13 118.68 116.73 3f7u s LEU 44 Ca 0.21 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.21 3f7u s LEU 44 Cb 0.17 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.87 3f7u s LEU 44 CO 0.39 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3f7u n GLY 45 N 5.74 0.53 3.80 -3.19 0.00 -1.26 -4.74 105.19 106.07 3f7u n GLY 45 Ca 0.37 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.54 2.88 0.18 1.61 1.70 -1.26 -3.41 118.95 120.11 3f7u s ARG 46 Ca 0.00 1.12 -0.16 0.00 -0.47 0.00 0.00 55.73 56.22 3f7u s ARG 46 Cb 0.00 -1.98 -0.07 0.00 -0.57 0.00 0.00 34.95 32.33 3f7u s ARG 46 CO 0.00 -1.16 0.61 -0.06 -1.08 0.00 0.00 175.30 173.62 3f7u s PHE 47 N -2.77 3.60 -0.12 5.89 0.40 -1.26 -1.21 117.98 122.51 3f7u s PHE 47 Ca 0.61 1.16 -0.01 0.00 -0.60 0.00 0.00 56.93 58.09 3f7u s PHE 47 Cb -0.16 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 3f7u s PHE 47 CO 0.49 0.37 -0.07 -0.06 0.70 0.00 0.00 175.22 176.65 3f7u s PHE 48 N -1.53 2.93 0.05 0.36 0.08 0.94 -4.89 117.98 115.93 3f7u s PHE 48 Ca 0.41 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.23 3f7u s PHE 48 Cb -0.15 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3f7u s PHE 48 CO 0.20 0.05 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.25 3f7u s PHE 49 N -0.07 2.88 -0.02 0.36 0.08 -1.26 -1.65 117.98 118.30 3f7u s PHE 49 Ca 0.00 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.99 3f7u s PHE 49 Cb -0.13 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3f7u s PHE 49 CO 0.03 0.42 0.01 0.45 -0.10 0.00 0.00 175.22 176.03 3f7u s SER 50 N -1.88 0.23 0.00 1.36 0.15 -0.48 -4.78 113.70 108.30 3f7u s SER 50 Ca 0.21 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3f7u s SER 50 Cb -0.11 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3f7u s SER 50 CO 0.12 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3f7u n GLY 50 N 4.12 0.45 0.09 9.45 0.00 -1.26 -1.06 105.19 116.98 3f7u n GLY 50 Ca -0.27 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 1.61 -1.99 -1.87 -3.33 116.97 111.18 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 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 3f7u h TYR 51 CO 0.13 0.81 0.14 0.38 -0.00 0.00 0.00 178.16 179.62 3f7u h ASP 52 N 0.00 0.25 -3.41 3.88 3.04 -1.93 -1.13 116.42 117.12 3f7u h ASP 52 Ca -0.05 -0.02 -0.53 0.00 -3.24 0.00 0.00 57.03 53.19 3f7u h ASP 52 Cb 1.66 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 3f7u h ASP 52 CO 0.10 0.19 0.49 -0.75 -2.04 0.00 0.00 179.24 177.23 3f7u s LYS 53 N -6.12 4.53 0.08 4.15 2.20 -1.25 -4.81 119.74 118.52 3f7u s LYS 53 Ca -0.13 1.70 -0.31 0.00 -0.36 0.00 0.00 55.97 56.87 3f7u s LYS 53 Cb 0.08 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 3f7u s LYS 53 CO 0.69 -0.06 1.49 0.15 -0.36 0.00 0.00 175.35 177.27 3f7u s LYS 54 N 0.30 4.26 0.12 4.03 -0.14 -1.26 -4.31 119.74 122.74 3f7u s LYS 54 Ca 0.53 2.16 0.05 0.00 -1.36 0.00 0.00 55.97 57.35 3f7u s LYS 54 Cb -0.28 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.42 3f7u s LYS 54 CO 0.32 -0.58 -0.12 -0.65 -0.76 0.00 0.00 175.35 173.56 3f7u s GLN 55 N 1.85 0.97 -0.76 1.68 -1.52 -0.11 -4.86 119.66 116.90 3f7u s GLN 55 Ca 0.68 -1.25 -0.16 0.00 -1.95 0.00 0.00 55.36 52.68 3f7u s GLN 55 Cb -0.37 -0.73 0.18 0.00 -0.22 0.00 0.00 33.01 31.87 3f7u s GLN 55 CO 0.30 0.12 0.77 0.95 -0.25 0.00 0.00 175.29 177.18 3f7u s THR 56 N -2.45 5.32 0.45 -0.19 -4.23 -1.26 -1.24 115.64 112.05 3f7u s THR 56 Ca 0.09 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.41 3f7u s THR 56 Cb -0.03 -4.49 -0.10 0.00 1.34 0.00 0.00 72.50 69.22 3f7u s THR 56 CO 0.02 -1.08 0.97 0.26 -0.54 0.00 0.00 174.62 174.24 3f7u s TRP 57 N 1.09 3.29 -0.03 3.99 0.52 -1.26 -4.71 118.94 121.82 3f7u s TRP 57 Ca 0.17 1.58 -0.22 0.00 0.02 0.00 0.00 56.10 57.65 3f7u s TRP 57 Cb -0.15 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.26 3f7u s TRP 57 CO -0.05 -0.27 0.65 0.99 0.02 0.00 0.00 176.95 178.29 3f7u s THR 58 N -2.24 4.96 -0.04 2.01 2.01 -1.26 -0.63 115.64 120.45 3f7u s THR 58 Ca 0.62 1.34 0.05 0.00 0.31 0.00 0.00 61.69 64.02 3f7u s THR 58 Cb -0.10 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 3f7u s THR 58 CO 0.17 0.34 -0.20 0.54 -0.69 0.00 0.00 174.62 174.79 3f7u s VAL 59 N 0.27 1.62 0.09 3.82 0.11 -0.40 -1.33 120.40 124.57 3f7u s VAL 59 Ca 0.34 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 3f7u s VAL 59 Cb -0.18 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 3f7u s VAL 59 CO 0.18 0.46 -0.13 0.00 -3.33 0.00 0.00 175.10 172.28 3f7u s GLN 60 N -0.11 0.86 -0.31 1.54 -2.07 0.18 -0.88 119.66 118.87 3f7u s GLN 60 Ca -0.02 -1.06 -0.15 0.00 -1.82 0.00 0.00 55.36 52.31 3f7u s GLN 60 Cb -0.11 -0.76 -0.02 0.00 -1.09 0.00 0.00 33.01 31.03 3f7u s GLN 60 CO 0.02 0.15 0.37 1.21 -1.32 0.00 0.00 175.29 175.72 3f7u s ASN 61 N -2.06 6.21 -0.00 12.60 3.84 -0.24 -0.26 114.94 135.03 3f7u s ASN 61 Ca 0.02 -0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.24 3f7u s ASN 61 Cb -0.07 -2.20 0.43 0.00 -0.55 0.00 0.00 41.25 38.86 3f7u s ASN 61 CO 0.02 -0.28 1.36 -0.46 -2.79 0.00 0.00 177.10 174.95 3f7u n ASN 62 N 5.38 3.32 0.00 -4.21 6.94 -1.07 -0.52 115.26 125.10 3f7u n ASN 62 Ca -0.09 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 3f7u n ASN 62 Cb 0.50 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3f7u n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f7u n GLY 63 N 0.92 0.91 0.00 4.83 0.00 -1.26 -4.78 105.19 105.81 3f7u n GLY 63 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.78 1.61 8.25 -1.26 -4.80 115.22 113.23 3f7u n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3f7u n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.76 -1.22 -4.40 0.41 2.88 -1.26 -4.86 113.62 104.42 3f7u n SER 65 Ca 0.00 -1.61 -0.32 0.00 -1.33 0.00 0.00 58.87 55.61 3f7u n SER 65 Cb 0.02 1.97 -0.14 0.00 -0.75 0.00 0.00 64.21 65.30 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 -2.19 2.59 -0.06 2.46 0.11 -1.26 -2.60 120.40 119.44 3f7u s VAL 66 Ca 0.17 -0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 3f7u s VAL 66 Cb -0.02 -1.97 0.04 0.00 -1.53 0.00 0.00 36.38 32.90 3f7u s VAL 66 CO 0.04 0.58 0.13 -0.32 -3.33 0.00 0.00 175.10 172.20 3f7u s MET 67 N -0.64 0.07 -0.09 1.54 0.00 0.65 -3.65 119.30 117.16 3f7u s MET 67 Ca 0.10 0.35 -0.20 0.00 0.00 0.00 0.00 55.69 55.95 3f7u s MET 67 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 34.83 34.48 3f7u s MET 67 CO 0.00 -0.17 0.54 -1.64 0.00 0.00 0.00 175.02 173.75 3f7u s MET 68 N 1.22 4.35 -0.12 4.11 -1.94 -0.13 -0.65 119.30 126.15 3f7u s MET 68 Ca -0.09 0.58 -0.23 0.00 -1.71 0.00 0.00 55.69 54.24 3f7u s MET 68 Cb -0.12 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.27 3f7u s MET 68 CO -0.05 0.17 0.72 -0.51 -0.01 0.00 0.00 175.02 175.34 3f7u s LEU 69 N 0.54 4.24 -0.08 -0.03 1.43 -0.44 -2.01 118.68 122.33 3f7u s LEU 69 Ca 0.29 1.11 0.14 0.00 -1.03 0.00 0.00 54.13 54.64 3f7u s LEU 69 Cb -0.16 -3.09 -0.20 0.00 0.03 0.00 0.00 46.19 42.77 3f7u s LEU 69 CO 0.13 -0.23 0.18 0.18 0.23 0.00 0.00 176.35 176.84 3f7u n LEU 70 N 4.47 0.00 -3.54 1.79 4.77 0.12 -4.51 117.00 120.11 3f7u n LEU 70 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 3f7u n LEU 70 Cb 0.50 0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.84 3f7u n LEU 70 CO 0.47 0.18 0.20 -0.62 -1.33 0.00 0.00 177.39 176.29 3f7u n GLU 71 N -2.28 -7.40 -1.94 3.23 1.02 -1.11 -1.18 120.64 110.99 3f7u n GLU 71 Ca -0.13 0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 3f7u n GLU 71 Cb 0.68 -5.85 -0.05 0.00 -0.02 0.00 0.00 31.44 26.21 3f7u n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f7u n ASN 72 N -2.94 -5.22 -0.13 1.62 3.02 -0.61 -4.84 115.26 106.17 3f7u n ASN 72 Ca -0.01 0.27 0.15 0.00 -0.03 0.00 0.00 54.58 54.97 3f7u n ASN 72 Cb 0.57 -4.51 0.82 0.00 -0.61 0.00 0.00 39.78 36.04 3f7u n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3f7u n LYS 76 N -2.58 1.16 -3.92 3.52 5.02 -0.32 -4.81 118.16 116.22 3f7u n LYS 76 Ca -0.21 -0.27 -0.09 0.00 -2.02 0.00 0.00 58.31 55.73 3f7u n LYS 76 Cb 0.65 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 3f7u n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7u s ALA 77 N -2.03 -0.56 0.15 7.82 0.00 -1.26 -4.52 121.76 121.36 3f7u s ALA 77 Ca 0.44 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 3f7u s ALA 77 Cb 0.22 0.97 0.06 0.00 0.00 0.00 0.00 23.12 24.38 3f7u s ALA 77 CO 0.37 -0.87 0.94 -1.54 0.00 0.00 0.00 175.76 174.65 3f7u s SER 78 N -2.97 -0.20 0.02 0.00 1.04 -0.23 -0.72 113.70 110.64 3f7u s SER 78 Ca 0.17 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 3f7u s SER 78 Cb -0.02 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 3f7u s SER 78 CO 0.06 -0.91 -0.00 0.27 0.98 0.00 0.00 173.24 173.64 3f7u s ILE 79 N -3.31 0.12 0.21 -1.02 -4.36 0.09 -1.39 121.20 111.54 3f7u s ILE 79 Ca 0.11 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.54 3f7u s ILE 79 Cb -0.02 -0.43 -0.00 0.00 1.25 0.00 0.00 42.46 43.27 3f7u s ILE 79 CO 0.01 -0.54 0.26 -1.54 0.24 0.00 0.00 174.94 173.38 3f7u n SER 80 N 1.41 -0.70 0.00 4.36 3.41 -0.66 -0.43 113.62 121.00 3f7u n SER 80 Ca -0.23 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3f7u n SER 80 Cb 0.56 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 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 -0.36 -0.58 2.38 5.00 0.00 -1.26 -0.04 105.19 110.33 3f7u n GLY 81 Ca 0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 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 1.08 2.69 -0.02 0.00 -0.35 -1.31 105.19 107.28 3f7u n GLY 82 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.16 0.93 3.84 -0.02 0.00 -1.26 -4.76 105.19 102.76 3f7u n GLY 83 Ca -0.15 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.08 4.22 0.00 0.99 1.43 -0.42 -4.99 118.68 117.83 3f7u s LEU 84 Ca 0.00 1.22 0.29 0.00 -1.03 0.00 0.00 54.13 54.61 3f7u s LEU 84 Cb 0.00 -3.70 1.22 0.00 0.03 0.00 0.00 46.19 43.75 3f7u s LEU 84 CO 0.00 -0.05 1.87 -0.81 0.23 0.00 0.00 176.35 177.59 3f7u n PRO 85 N 0.24 0.46 -3.79 1.29 -0.04 -1.26 -4.67 135.00 127.23 3f7u n PRO 85 Ca -0.01 -0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 3f7u n PRO 85 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.62 -1.06 0.73 0.55 0.00 -1.26 -5.15 121.76 112.95 3f7u s ALA 86 Ca 0.25 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.81 3f7u s ALA 86 Cb 0.20 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.24 3f7u s ALA 86 CO 0.50 -0.92 1.12 -1.25 0.00 0.00 0.00 175.76 175.21 3f7u s PRO 87 N -3.90 2.32 -0.03 0.00 0.04 -1.26 -4.81 135.00 127.36 3f7u s PRO 87 Ca 0.11 1.40 0.05 0.00 0.04 0.00 0.00 61.00 62.59 3f7u s PRO 87 Cb -0.03 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 3f7u s PRO 87 CO 0.02 -1.63 -0.16 0.71 0.04 0.00 0.00 177.00 175.99 3f7u s TYR 88 N -2.49 1.53 -0.03 0.56 1.51 0.43 -0.61 117.35 118.24 3f7u s TYR 88 Ca 0.66 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 56.22 3f7u s TYR 88 Cb -0.21 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 3f7u s TYR 88 CO 0.48 -0.09 0.37 -0.65 -1.11 0.00 0.00 175.55 174.56 3f7u s GLN 89 N -0.16 3.90 -0.03 -0.62 -0.21 -0.61 -0.73 119.66 121.20 3f7u s GLN 89 Ca 0.01 0.33 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 3f7u s GLN 89 Cb -0.09 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 3f7u s GLN 89 CO 0.01 0.65 1.03 0.00 -2.12 0.00 0.00 175.29 174.86 3f7u s ALA 90 N -0.91 3.28 -0.26 6.09 0.00 0.10 -0.70 121.76 129.35 3f7u s ALA 90 Ca 0.22 0.53 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3f7u s ALA 90 Cb -0.16 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 3f7u s ALA 90 CO 0.12 -0.39 -0.23 1.63 0.00 0.00 0.00 175.76 176.88 3f7u n LYS 91 N 4.31 0.59 -3.45 0.00 4.76 0.15 -1.57 118.16 122.94 3f7u n LYS 91 Ca 0.07 0.32 -0.11 0.00 -2.87 0.00 0.00 58.31 55.73 3f7u n LYS 91 Cb 0.50 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.48 1.13 -0.04 1.97 1.03 -1.15 0.16 119.66 120.28 3f7u s GLN 92 Ca -0.37 -0.39 0.04 0.00 0.04 0.00 0.00 55.36 54.68 3f7u s GLN 92 Cb 0.13 0.52 -0.00 0.00 0.03 0.00 0.00 33.01 33.69 3f7u s GLN 92 CO 0.52 -0.49 -0.16 -1.17 -2.54 0.00 0.00 175.29 171.45 3f7u s LEU 93 N -2.60 1.89 0.00 2.60 0.20 -0.85 -0.06 118.68 119.86 3f7u s LEU 93 Ca 0.02 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 3f7u s LEU 93 Cb -0.01 -0.90 0.00 0.00 -0.43 0.00 0.00 46.19 44.86 3f7u s LEU 93 CO -0.11 0.14 0.31 0.00 -0.29 0.00 0.00 176.35 176.40 3f7u n HIS 94 N 3.17 -1.07 -3.91 5.38 1.44 -0.46 -0.95 115.22 118.81 3f7u n HIS 94 Ca -0.18 -1.51 -0.09 0.00 -2.01 0.00 0.00 57.72 53.93 3f7u n HIS 94 Cb 0.53 0.35 -0.08 0.00 0.12 0.00 0.00 29.99 30.91 3f7u n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3f7u s LEU 95 N 0.00 1.67 0.06 2.39 1.02 -1.24 -1.35 118.68 121.23 3f7u s LEU 95 Ca 0.19 -0.67 0.07 0.00 0.02 0.00 0.00 54.13 53.74 3f7u s LEU 95 Cb -0.01 0.81 -0.03 0.00 0.02 0.00 0.00 46.19 46.98 3f7u s LEU 95 CO 0.13 -0.65 -0.20 -1.00 0.02 0.00 0.00 176.35 174.66 3f7u s HIS 96 N -3.54 1.70 0.12 0.29 3.76 -0.22 -4.57 115.29 112.84 3f7u s HIS 96 Ca 0.03 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.29 3f7u s HIS 96 Cb 0.04 -0.98 0.07 0.00 1.11 0.00 0.00 32.58 32.82 3f7u s HIS 96 CO -0.09 0.12 1.00 1.67 -0.85 0.00 0.00 174.74 176.59 3f7u s TRP 97 N -0.93 -0.12 0.00 1.40 -2.14 -1.00 -0.68 118.94 115.47 3f7u s TRP 97 Ca 0.06 -0.15 0.00 0.00 2.66 0.00 0.00 56.10 58.67 3f7u s TRP 97 Cb -0.09 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 30.90 3f7u s TRP 97 CO 0.02 -0.74 0.00 0.45 -2.66 0.00 0.00 176.95 174.02 3f7u n SER 98 N -0.46 0.07 -0.35 -2.66 2.88 -1.22 -0.31 113.62 111.57 3f7u n SER 98 Ca -0.06 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.50 3f7u n SER 98 Cb 0.61 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.72 -3.98 -3.46 5.75 -1.26 -4.79 116.55 109.53 3f7u n ASP 99 Ca 0.00 -2.28 -0.16 0.00 -0.01 0.00 0.00 54.79 52.34 3f7u n ASP 99 Cb 0.00 -0.26 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.86 2.02 0.11 -2.12 1.43 -1.26 -5.03 118.68 112.98 3f7u s LEU 100 Ca 0.09 -0.13 0.22 0.00 -1.03 0.00 0.00 54.13 53.29 3f7u s LEU 100 Cb 0.08 -0.32 0.89 0.00 0.03 0.00 0.00 46.19 46.88 3f7u s LEU 100 CO 0.01 0.07 1.70 -0.81 0.23 0.00 0.00 176.35 177.54 3f7u n PRO 101 N 2.88 0.11 -0.51 1.29 -0.04 -1.26 -2.41 135.00 135.05 3f7u n PRO 101 Ca -0.13 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3f7u n PRO 101 Cb 0.58 -1.66 0.31 0.00 -0.04 0.00 0.00 33.50 32.69 3f7u n PRO 101 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3f7u n TYR 102 N -1.86 1.25 -0.86 0.54 4.11 -1.26 -3.56 117.16 115.52 3f7u n TYR 102 Ca 0.04 -0.51 0.00 0.00 -0.00 0.00 0.00 57.90 57.43 3f7u n TYR 102 Cb 0.27 -0.19 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 3f7u n TYR 102 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3f7u n LYS 103 N 1.05 0.00 0.00 -3.48 2.85 -1.01 -4.42 118.16 113.15 3f7u n LYS 103 Ca 0.23 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.53 3f7u n LYS 103 Cb 0.76 -0.24 0.26 0.00 -0.65 0.00 0.00 35.03 35.16 3f7u n LYS 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3f7u n GLY 104 N 0.00 -0.37 3.93 2.58 0.00 0.26 -4.52 105.19 107.06 3f7u n GLY 104 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.16 5.94 -0.19 1.61 1.04 0.10 -2.37 113.70 117.67 3f7u s SER 105 Ca 0.12 0.61 -0.20 0.00 0.48 0.00 0.00 55.95 56.96 3f7u s SER 105 Cb 0.06 -1.84 -0.17 0.00 0.10 0.00 0.00 66.02 64.17 3f7u s SER 105 CO 0.11 -0.72 0.22 -0.33 0.98 0.00 0.00 173.24 173.50 3f7u h GLU 106 N 0.23 0.00 -7.18 4.02 5.08 -1.90 -3.45 114.58 111.38 3f7u h GLU 106 Ca -0.47 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.41 3f7u h GLU 106 Cb 1.24 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.52 3f7u h GLU 106 CO 0.60 0.81 0.33 -1.01 -1.00 0.00 0.00 179.01 178.74 3f7u s HIS 107 N -2.30 3.52 0.05 4.33 3.76 -1.26 -4.54 115.29 118.85 3f7u s HIS 107 Ca -0.24 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.05 3f7u s HIS 107 Cb 0.04 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 3f7u s HIS 107 CO 0.53 -0.42 -0.21 -1.54 -0.85 0.00 0.00 174.74 172.25 3f7u s SER 108 N -3.49 2.47 -0.20 1.40 1.04 -1.17 -4.65 113.70 109.09 3f7u s SER 108 Ca 0.56 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 3f7u s SER 108 Cb -0.10 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 3f7u s SER 108 CO 0.39 0.14 0.01 -0.76 0.98 0.00 0.00 173.24 174.00 3f7u s LEU 109 N -1.29 3.34 -1.65 2.42 1.43 -0.30 -0.87 118.68 121.76 3f7u s LEU 109 Ca 0.07 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3f7u s LEU 109 Cb -0.09 -1.85 0.14 0.00 0.03 0.00 0.00 46.19 44.42 3f7u s LEU 109 CO 0.02 0.08 0.84 0.47 0.23 0.00 0.00 176.35 177.99 3f7u n ASP 110 N 4.15 -3.67 0.00 2.29 8.00 0.26 -0.81 116.55 126.76 3f7u n ASP 110 Ca -0.17 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3f7u n ASP 110 Cb 0.52 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 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 -1.49 0.51 3.67 0.44 0.00 -1.26 -5.00 105.19 102.06 3f7u n GLY 111 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3f7u n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f7u s GLU 112 N -0.51 4.28 0.40 1.61 2.12 0.01 -5.03 118.70 121.57 3f7u s GLU 112 Ca 0.00 1.01 -0.05 0.00 0.36 0.00 0.00 54.97 56.29 3f7u s GLU 112 Cb 0.00 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3f7u s GLU 112 CO 0.00 -0.36 0.68 -1.01 -0.54 0.00 0.00 175.26 174.03 3f7u s HIS 113 N 2.27 3.51 0.47 5.30 3.76 -1.26 -1.15 115.29 128.20 3f7u s HIS 113 Ca 0.38 0.72 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 3f7u s HIS 113 Cb -0.16 -2.20 0.02 0.00 1.11 0.00 0.00 32.58 31.35 3f7u s HIS 113 CO 0.11 -0.06 0.16 1.19 -0.85 0.00 0.00 174.74 175.29 3f7u n PHE 114 N -1.69 0.27 0.10 1.40 3.01 -1.26 -4.49 117.46 114.81 3f7u n PHE 114 Ca -0.01 -2.16 0.05 0.00 1.01 0.00 0.00 57.45 56.34 3f7u n PHE 114 Cb 0.55 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3f7u n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3f7u h ALA 115 N 0.99 0.67 -2.83 4.37 0.00 -1.24 0.85 119.26 122.06 3f7u h ALA 115 Ca -0.35 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 3f7u h ALA 115 Cb 1.14 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 3f7u h ALA 115 CO 0.56 0.50 -0.25 -1.64 0.00 0.00 0.00 179.25 178.43 3f7u s MET 116 N -3.08 1.66 -0.04 0.00 -1.94 -1.21 -2.43 119.30 112.27 3f7u s MET 116 Ca 0.01 -1.57 -0.03 0.00 -1.71 0.00 0.00 55.69 52.40 3f7u s MET 116 Cb 0.08 0.42 0.01 0.00 2.01 0.00 0.00 34.83 37.36 3f7u s MET 116 CO 0.77 -0.67 0.09 -2.00 -0.01 0.00 0.00 175.02 173.20 3f7u s GLU 117 N -3.59 0.09 -0.13 2.03 2.12 0.15 -1.50 118.70 117.86 3f7u s GLU 117 Ca 0.29 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.73 3f7u s GLU 117 Cb 0.01 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 3f7u s GLU 117 CO 0.15 -0.05 0.05 1.41 -0.54 0.00 0.00 175.26 176.29 3f7u s MET 118 N 0.29 3.49 -0.23 4.30 -2.45 0.15 -1.05 119.30 123.80 3f7u s MET 118 Ca -0.02 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.08 3f7u s MET 118 Cb -0.03 -3.04 0.02 0.00 1.25 0.00 0.00 34.83 33.03 3f7u s MET 118 CO -0.01 0.54 -0.10 -1.01 1.05 0.00 0.00 175.02 175.49 3f7u s HIS 119 N -0.38 2.98 -0.37 4.11 3.76 -0.46 -0.39 115.29 124.54 3f7u s HIS 119 Ca 0.09 -1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 53.33 3f7u s HIS 119 Cb -0.12 -2.02 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 3f7u s HIS 119 CO 0.02 -0.73 0.29 0.42 -0.85 0.00 0.00 174.74 173.89 3f7u s ILE 120 N 1.33 5.25 -0.28 0.60 1.01 0.07 -1.35 121.20 127.82 3f7u s ILE 120 Ca 0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 3f7u s ILE 120 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3f7u s ILE 120 CO -0.07 -0.15 0.28 -0.69 0.00 0.00 0.00 174.94 174.32 3f7u s VAL 121 N 1.78 5.24 0.28 2.92 1.01 0.91 -0.99 120.40 131.55 3f7u s VAL 121 Ca 0.07 0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.50 3f7u s VAL 121 Cb -0.18 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3f7u s VAL 121 CO 0.11 0.18 -0.19 -1.00 0.00 0.00 0.00 175.10 174.20 3f7u s HIS 122 N 1.91 2.25 0.01 5.22 3.76 -0.40 0.30 115.29 128.34 3f7u s HIS 122 Ca 0.11 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.69 3f7u s HIS 122 Cb -0.16 -1.01 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 3f7u s HIS 122 CO 0.11 0.68 -0.11 -2.00 -0.85 0.00 0.00 174.74 172.57 3f7u s GLU 123 N -3.53 0.82 0.20 1.40 2.12 0.12 -1.22 118.70 118.61 3f7u s GLU 123 Ca 0.30 -0.47 -0.33 0.00 0.36 0.00 0.00 54.97 54.83 3f7u s GLU 123 Cb -0.04 -0.79 -0.13 0.00 0.26 0.00 0.00 34.13 33.43 3f7u s GLU 123 CO 0.14 0.21 1.62 1.17 -0.54 0.00 0.00 175.26 177.87 3f7u n LYS 124 N 2.54 2.44 -2.25 4.30 4.81 -0.33 -1.57 118.16 128.10 3f7u n LYS 124 Ca -0.15 0.88 -0.42 0.00 -0.87 0.00 0.00 58.31 57.74 3f7u n LYS 124 Cb 0.56 -2.67 -0.03 0.00 0.02 0.00 0.00 35.03 32.92 3f7u n LYS 124 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3f7u s GLU 125 N 0.75 4.23 -0.23 1.64 2.12 0.22 -4.86 118.70 122.56 3f7u s GLU 125 Ca 0.75 1.90 -0.34 0.00 0.36 0.00 0.00 54.97 57.64 3f7u s GLU 125 Cb -0.59 -3.78 -0.10 0.00 0.26 0.00 0.00 34.13 29.91 3f7u s GLU 125 CO 0.38 -0.71 2.07 1.63 -0.54 0.00 0.00 175.26 178.09 3f7u n LYS 126 N 6.41 1.62 0.00 4.30 5.02 -1.26 -4.83 118.16 129.42 3f7u n LYS 126 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3f7u n LYS 126 Cb 0.44 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 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 7.64 0.00 0.21 1.97 -0.02 -1.26 -5.18 135.00 138.36 3f7u n PRO 137 Ca 0.32 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.95 3f7u n PRO 137 Cb 0.29 0.00 0.75 0.00 -0.02 0.00 0.00 33.50 34.52 3f7u n PRO 137 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3f7u h GLU 138 N 0.00 0.00 0.00 -0.52 5.08 -1.85 -3.22 114.58 114.06 3f7u h GLU 138 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3f7u h GLU 138 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 3f7u h GLU 138 CO 0.00 0.00 -0.57 -0.40 -1.00 0.00 0.00 179.01 177.04 3f7u n ASP 139 N -2.52 0.93 -0.28 1.42 3.85 -1.24 -2.41 116.55 116.30 3f7u n ASP 139 Ca -0.01 -2.44 0.19 0.00 -0.71 0.00 0.00 54.79 51.82 3f7u n ASP 139 Cb 0.08 -0.31 0.48 0.00 -1.35 0.00 0.00 41.12 40.02 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 0.43 0.45 -5.46 0.11 4.81 -1.50 -3.41 114.58 110.01 3f7u h GLU 140 Ca -0.07 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.47 3f7u h GLU 140 Cb 1.43 -0.10 -0.27 0.00 0.63 0.00 0.00 28.75 30.44 3f7u h GLU 140 CO 0.03 0.30 -0.77 0.42 -0.73 0.00 0.00 179.01 178.25 3f7u s ILE 141 N -5.50 2.99 -0.23 2.32 1.09 -0.22 -1.18 121.20 120.46 3f7u s ILE 141 Ca -0.09 -0.69 -0.04 0.00 -1.10 0.00 0.00 60.65 58.73 3f7u s ILE 141 Cb 0.24 -2.24 -0.01 0.00 -1.06 0.00 0.00 42.46 39.39 3f7u s ILE 141 CO 0.79 0.54 -0.03 0.00 -0.10 0.00 0.00 174.94 176.13 3f7u s ALA 142 N 0.20 2.84 -0.17 9.38 0.00 -0.36 -1.09 121.76 132.56 3f7u s ALA 142 Ca -0.08 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 3f7u s ALA 142 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 3f7u s ALA 142 CO 0.05 -0.47 0.08 0.08 0.00 0.00 0.00 175.76 175.50 3f7u s VAL 143 N 1.48 4.98 -0.28 0.00 1.01 -1.08 -1.27 120.40 125.24 3f7u s VAL 143 Ca 0.05 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 3f7u s VAL 143 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3f7u s VAL 143 CO -0.03 0.49 0.41 -0.76 0.00 0.00 0.00 175.10 175.21 3f7u s LEU 144 N 0.10 4.11 -0.19 3.92 1.43 -0.16 -1.53 118.68 126.35 3f7u s LEU 144 Ca 0.06 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3f7u s LEU 144 Cb -0.12 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 3f7u s LEU 144 CO 0.00 -0.25 -0.06 0.00 0.23 0.00 0.00 176.35 176.27 3f7u s ALA 145 N 2.14 2.80 -0.06 4.21 0.00 0.97 -0.75 121.76 131.06 3f7u s ALA 145 Ca 0.16 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3f7u s ALA 145 Cb -0.16 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 3f7u s ALA 145 CO 0.10 -0.16 -0.21 -0.06 0.00 0.00 0.00 175.76 175.44 3f7u s PHE 146 N 1.02 2.08 0.03 0.00 0.40 0.48 -1.82 117.98 120.16 3f7u s PHE 146 Ca 0.00 -0.66 -0.15 0.00 -0.60 0.00 0.00 56.93 55.52 3f7u s PHE 146 Cb -0.15 -1.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.93 3f7u s PHE 146 CO -0.00 -0.23 0.45 -0.51 0.70 0.00 0.00 175.22 175.63 3f7u s LEU 147 N 0.05 4.47 -0.21 -0.37 1.43 -1.26 0.30 118.68 123.09 3f7u s LEU 147 Ca -0.07 1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 54.00 3f7u s LEU 147 Cb -0.14 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3f7u s LEU 147 CO 0.04 0.29 0.02 -0.69 0.23 0.00 0.00 176.35 176.24 3f7u s VAL 148 N -1.13 4.07 -0.09 -1.59 1.01 -0.57 0.13 120.40 122.24 3f7u s VAL 148 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3f7u s VAL 148 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3f7u s VAL 148 CO 0.15 0.41 -0.00 -1.83 0.00 0.00 0.00 175.10 173.83 3f7u s GLU 149 N 1.15 3.01 0.00 2.72 -1.05 0.31 -1.28 118.70 123.56 3f7u s GLU 149 Ca 0.03 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 3f7u s GLU 149 Cb -0.14 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 3f7u s GLU 149 CO 0.02 0.68 0.00 0.00 0.95 0.00 0.00 175.26 176.90 3f7u n ALA 150 N 2.22 -0.55 0.00 -0.84 0.00 -1.26 -0.97 120.51 119.11 3f7u n ALA 150 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3f7u n ALA 150 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3f7u n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7u n GLY 151 N 0.00 -0.99 0.30 0.00 0.00 -0.93 -2.78 105.19 100.79 3f7u n GLY 151 Ca 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.49 3f7u n GLY 151 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f7u h THR 151 N 0.00 0.60 -2.19 2.61 1.35 -1.97 -3.36 112.91 109.95 3f7u h THR 151 Ca 0.00 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 3f7u h THR 151 Cb 0.00 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 66.50 3f7u h THR 151 CO 0.00 0.09 0.01 0.00 -0.25 0.00 0.00 175.52 175.37 3f7u n GLN 152 N -4.99 0.13 -2.88 4.72 6.02 -1.26 -4.98 117.38 114.15 3f7u n GLN 152 Ca 0.18 -0.33 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 3f7u n GLN 152 Cb 0.51 0.36 -0.04 0.00 1.02 0.00 0.00 30.24 32.10 3f7u n GLN 152 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3f7u s VAL 153 N -2.72 4.87 -0.51 5.09 1.01 -1.26 -1.71 120.40 125.16 3f7u s VAL 153 Ca 0.03 1.65 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 3f7u s VAL 153 Cb -0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3f7u s VAL 153 CO 0.02 0.02 0.80 0.21 0.00 0.00 0.00 175.10 176.14 3f7u s ASN 154 N 1.16 6.32 0.27 3.32 3.84 -1.26 -4.93 114.94 123.65 3f7u s ASN 154 Ca 0.39 -0.47 -0.03 0.00 0.21 0.00 0.00 52.86 52.96 3f7u s ASN 154 Cb -0.16 -2.37 0.39 0.00 -0.55 0.00 0.00 41.25 38.55 3f7u s ASN 154 CO 0.12 -1.04 1.89 -0.08 -2.79 0.00 0.00 177.10 175.21 3f7u h GLU 155 N 9.12 1.17 -0.31 0.43 4.57 -1.96 -2.70 114.58 124.90 3f7u h GLU 155 Ca -0.26 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 57.93 3f7u h GLU 155 Cb 1.08 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 3f7u h GLU 155 CO 1.01 0.77 0.22 0.78 -1.18 0.00 0.00 179.01 180.61 3f7u h GLY 156 N 1.20 0.08 1.90 1.92 0.00 -1.92 -0.82 103.07 105.43 3f7u h GLY 156 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3f7u h GLY 156 CO -0.16 0.02 -0.06 0.69 0.00 0.00 0.00 176.54 177.03 3f7u n PHE 157 N -4.46 0.25 -0.09 5.60 3.01 -1.02 -4.39 117.46 116.37 3f7u n PHE 157 Ca 0.04 0.07 -0.01 0.00 1.01 0.00 0.00 57.45 58.56 3f7u n PHE 157 Cb 0.35 -0.60 0.25 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.72 -1.01 -1.08 1.08 -1.21 -2.23 115.11 111.39 3f7u h GLN 158 Ca 0.00 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3f7u h GLN 158 Cb 0.57 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.81 3f7u h GLN 158 CO 0.00 0.64 0.65 -1.35 -0.95 0.00 0.00 178.83 177.82 3f7u h PRO 159 N 0.71 1.15 -0.29 1.46 0.11 -1.78 0.21 132.00 133.57 3f7u h PRO 159 Ca 0.16 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 3f7u h PRO 159 Cb 0.23 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3f7u h PRO 159 CO -0.01 0.76 -0.22 1.25 -0.21 0.00 0.00 178.00 179.58 3f7u h LEU 160 N 1.19 0.69 -0.83 2.35 5.85 -1.76 -2.49 115.31 120.30 3f7u h LEU 160 Ca 0.43 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3f7u h LEU 160 Cb 0.16 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3f7u h LEU 160 CO -0.17 0.99 -0.28 0.58 -0.34 0.00 0.00 178.44 179.21 3f7u h VAL 161 N 0.40 1.28 0.00 1.05 2.07 -0.89 -2.07 116.25 118.09 3f7u h VAL 161 Ca 0.05 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.16 3f7u h VAL 161 Cb 0.76 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3f7u h VAL 161 CO 0.06 0.43 -0.27 -0.33 0.02 0.00 0.00 177.57 177.48 3f7u h GLU 162 N 0.48 0.00 0.00 1.57 5.08 -0.58 -2.85 114.58 118.28 3f7u h GLU 162 Ca 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3f7u h GLU 162 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3f7u h GLU 162 CO 0.06 0.27 -0.34 0.00 -1.00 0.00 0.00 179.01 177.99 3f7u h ALA 163 N 1.73 1.08 -0.65 3.43 0.00 -0.90 -3.30 119.26 120.66 3f7u h ALA 163 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3f7u h ALA 163 Cb 0.88 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3f7u h ALA 163 CO 0.03 0.43 0.32 -0.07 0.00 0.00 0.00 179.25 179.96 3f7u h LEU 164 N 0.00 0.82 -2.42 0.00 3.38 -1.37 -0.23 115.31 115.49 3f7u h LEU 164 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3f7u h LEU 164 Cb 0.79 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3f7u h LEU 164 CO 0.04 0.69 0.19 0.28 0.09 0.00 0.00 178.44 179.74 3f7u h SER 165 N 0.92 0.00 0.02 -0.43 0.02 -1.75 -2.17 113.55 110.15 3f7u h SER 165 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3f7u h SER 165 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3f7u h SER 165 CO -0.03 0.00 -0.21 0.59 -1.14 0.00 0.00 176.83 176.03 3f7u n ASN 166 N -2.97 2.07 -2.60 3.07 3.02 -0.10 -4.38 115.26 113.37 3f7u n ASN 166 Ca -0.02 -1.55 -0.15 0.00 -0.03 0.00 0.00 54.58 52.82 3f7u n ASN 166 Cb 0.25 0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.33 1.48 0.22 2.41 -5.35 -0.82 -4.74 119.36 112.88 3f7u n ILE 167 Ca 0.13 -3.71 0.05 0.00 -0.27 0.00 0.00 62.75 58.95 3f7u n ILE 167 Cb 0.47 -0.00 0.48 0.00 -1.74 0.00 0.00 39.64 38.85 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 2.85 0.00 -6.16 6.28 0.13 -1.76 -3.42 132.00 129.92 3f7u h PRO 168 Ca 0.04 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.62 3f7u h PRO 168 Cb 1.09 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 3f7u h PRO 168 CO 0.62 0.24 -0.59 0.15 -0.23 0.00 0.00 178.00 178.19 3f7u s LYS 169 N -4.43 2.40 0.82 0.86 1.02 -1.26 -1.36 119.74 117.79 3f7u s LYS 169 Ca -0.03 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 54.43 3f7u s LYS 169 Cb 0.15 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 35.33 3f7u s LYS 169 CO 0.69 0.28 1.14 -2.14 -0.92 0.00 0.00 175.35 174.41 3f7u s PRO 170 N -3.75 1.72 -1.62 -1.68 0.02 -1.26 -2.69 135.00 125.74 3f7u s PRO 170 Ca 0.34 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.84 3f7u s PRO 170 Cb -0.05 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3f7u s PRO 170 CO 0.21 -2.10 0.00 0.39 -0.33 0.00 0.00 177.00 175.18 3f7u n GLU 171 N -3.59 -1.33 -4.42 5.54 1.02 0.32 -4.93 120.64 113.26 3f7u n GLU 171 Ca 0.11 0.94 -0.30 0.00 -0.02 0.00 0.00 57.16 57.89 3f7u n GLU 171 Cb 0.52 -5.33 -0.12 0.00 -0.02 0.00 0.00 31.44 26.50 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 -4.37 1.91 0.14 3.49 -1.94 -1.09 -4.98 119.30 112.46 3f7u s MET 172 Ca 0.00 -1.10 -0.00 0.00 -1.71 0.00 0.00 55.69 52.88 3f7u s MET 172 Cb 0.00 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 3f7u s MET 172 CO 0.00 0.50 0.04 -1.54 -0.01 0.00 0.00 175.02 174.02 3f7u s SER 173 N -1.90 0.54 0.29 3.03 1.04 -1.26 -1.08 113.70 114.35 3f7u s SER 173 Ca 0.17 -1.20 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 3f7u s SER 173 Cb -0.11 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.29 3f7u s SER 173 CO 0.09 -0.69 0.70 0.28 0.98 0.00 0.00 173.24 174.59 3f7u s THR 174 N -3.95 0.00 -0.15 2.02 -1.32 -0.06 -4.88 115.64 107.30 3f7u s THR 174 Ca 0.24 -1.06 -0.05 0.00 -1.21 0.00 0.00 61.69 59.61 3f7u s THR 174 Cb 0.07 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 3f7u s THR 174 CO 0.02 0.00 0.02 -0.89 -2.21 0.00 0.00 174.62 171.57 3f7u s THR 175 N -3.75 4.47 0.45 5.08 2.01 -1.26 -1.28 115.64 121.36 3f7u s THR 175 Ca 0.13 -0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 3f7u s THR 175 Cb -0.05 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3f7u s THR 175 CO 0.08 0.50 0.94 -0.04 -0.69 0.00 0.00 174.62 175.42 3f7u s MET 176 N 0.08 4.11 0.84 4.92 -1.94 0.20 -4.97 119.30 122.53 3f7u s MET 176 Ca 0.03 1.02 -0.14 0.00 -1.71 0.00 0.00 55.69 54.89 3f7u s MET 176 Cb -0.13 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.54 3f7u s MET 176 CO 0.01 -0.10 0.60 0.00 -0.01 0.00 0.00 175.02 175.52 3f7u n ALA 177 N -0.97 -1.72 -1.55 3.03 0.00 -1.26 -4.05 120.51 113.98 3f7u n ALA 177 Ca 0.07 -0.42 -0.53 0.00 0.00 0.00 0.00 53.44 52.56 3f7u n ALA 177 Cb 0.54 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.61 0.77 -3.51 0.00 -0.58 -1.26 -4.73 120.64 109.71 3f7u n GLU 178 Ca 0.09 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 57.01 3f7u n GLU 178 Cb 0.52 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 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 0.09 -0.39 0.33 1.62 1.04 -0.37 -4.92 113.70 111.10 3f7u s SER 179 Ca 0.81 0.11 0.09 0.00 0.48 0.00 0.00 55.95 57.44 3f7u s SER 179 Cb -1.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 3f7u s SER 179 CO 0.52 -0.59 0.06 -0.94 0.98 0.00 0.00 173.24 173.27 3f7u s SER 180 N -2.19 4.40 0.31 7.02 1.04 -1.26 -0.94 113.70 122.08 3f7u s SER 180 Ca 0.03 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3f7u s SER 180 Cb -0.01 -0.63 0.50 0.00 0.10 0.00 0.00 66.02 65.98 3f7u s SER 180 CO -0.06 -0.24 1.83 -0.07 0.98 0.00 0.00 173.24 175.68 3f7u h LEU 181 N 1.72 0.59 -1.50 2.42 3.38 -1.56 -2.65 115.31 117.70 3f7u h LEU 181 Ca -0.43 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.36 3f7u h LEU 181 Cb 1.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3f7u h LEU 181 CO 0.65 0.66 -0.25 -0.07 0.09 0.00 0.00 178.44 179.51 3f7u h LEU 182 N 0.59 0.00 -1.69 1.67 4.07 -1.60 0.13 115.31 118.49 3f7u h LEU 182 Ca 0.12 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.21 3f7u h LEU 182 Cb 0.37 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 3f7u h LEU 182 CO 0.01 0.25 0.44 0.44 -1.08 0.00 0.00 178.44 178.51 3f7u h ASP 183 N 0.00 0.30 0.52 -0.43 3.32 -1.73 -1.83 116.42 116.57 3f7u h ASP 183 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3f7u h ASP 183 Cb 0.52 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3f7u h ASP 183 CO 0.03 0.17 -0.52 0.18 -1.72 0.00 0.00 179.24 177.38 3f7u n LEU 184 N -4.46 0.52 -4.70 1.55 4.77 0.46 -4.26 117.00 110.87 3f7u n LEU 184 Ca 0.12 0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 3f7u n LEU 184 Cb 0.49 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3f7u n LEU 184 CO 0.34 0.11 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.47 3f7u s LEU 185 N -3.10 3.41 1.09 2.23 1.43 -0.69 -4.97 118.68 118.07 3f7u s LEU 185 Ca 0.10 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3f7u s LEU 185 Cb 0.17 -1.96 0.24 0.00 0.03 0.00 0.00 46.19 44.68 3f7u s LEU 185 CO 0.70 0.01 1.06 -2.84 0.23 0.00 0.00 176.35 175.51 3f7u s PRO 186 N -3.59 -0.32 0.00 1.29 0.02 -1.26 -4.96 135.00 126.18 3f7u s PRO 186 Ca 0.31 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.34 3f7u s PRO 186 Cb -0.07 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.84 3f7u s PRO 186 CO 0.21 -3.37 0.00 1.63 -0.33 0.00 0.00 177.00 175.14 3f7u n LYS 187 N -4.69 2.88 0.00 5.54 5.02 -1.26 -4.90 118.16 120.75 3f7u n LYS 187 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 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 0.39 -0.52 0.00 0.00 177.40 177.27 3f7u n GLU 187 N 0.00 0.00 -0.25 1.97 1.02 -1.26 -3.55 120.64 118.57 3f7u n GLU 187 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3f7u n GLU 187 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.59 3f7u n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3f7u n LYS 188 N 0.00 2.12 -0.43 3.49 5.02 -1.26 -3.88 118.16 123.22 3f7u n LYS 188 Ca 0.00 -1.35 0.11 0.00 -2.02 0.00 0.00 58.31 55.04 3f7u n LYS 188 Cb 0.00 -1.44 0.32 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.48 4.14 0.17 -0.35 4.77 -1.23 -4.43 117.00 120.54 3f7u n LEU 189 Ca 0.12 -2.14 0.02 0.00 -0.03 0.00 0.00 56.01 53.98 3f7u n LEU 189 Cb 0.41 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 41.30 3f7u n LEU 189 CO 0.10 0.92 0.63 0.03 -1.33 0.00 0.00 177.39 177.74 3f7u h ARG 189 N 4.06 0.00 -5.06 3.23 -0.00 -1.93 -3.43 114.38 111.25 3f7u h ARG 189 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.85 3f7u h ARG 189 Cb 1.12 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.93 3f7u h ARG 189 CO 0.07 0.46 -0.52 -1.01 0.00 0.00 0.00 179.97 178.97 3f7u s HIS 190 N -3.83 3.27 0.06 3.04 3.76 -1.26 -4.76 115.29 115.57 3f7u s HIS 190 Ca -0.02 0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 3f7u s HIS 190 Cb 0.13 -2.27 0.07 0.00 1.11 0.00 0.00 32.58 31.61 3f7u s HIS 190 CO 0.73 -0.01 0.61 1.52 -0.85 0.00 0.00 174.74 176.74 3f7u s TYR 191 N 1.17 -0.55 0.19 1.40 -0.85 -1.26 -1.37 117.35 116.08 3f7u s TYR 191 Ca 0.07 0.64 0.06 0.00 -0.52 0.00 0.00 57.07 57.31 3f7u s TYR 191 Cb -0.14 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 3f7u s TYR 191 CO 0.05 -0.72 0.15 -0.06 -1.52 0.00 0.00 175.55 173.45 3f7u s PHE 192 N -2.57 3.12 -0.12 -3.49 0.08 -0.13 -1.30 117.98 113.57 3f7u s PHE 192 Ca -0.05 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 3f7u s PHE 192 Cb -0.01 -1.47 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 3f7u s PHE 192 CO -0.02 0.52 0.26 0.50 -0.10 0.00 0.00 175.22 176.38 3f7u s ARG 193 N -3.31 0.19 0.21 0.44 6.06 -0.13 -1.11 118.95 121.30 3f7u s ARG 193 Ca 0.31 0.66 -0.14 0.00 -2.50 0.00 0.00 55.73 54.06 3f7u s ARG 193 Cb -0.09 -0.07 0.01 0.00 0.06 0.00 0.00 34.95 34.86 3f7u s ARG 193 CO 0.24 -0.22 0.46 1.52 -2.50 0.00 0.00 175.30 174.79 3f7u s TYR 194 N 1.86 0.18 -0.15 5.12 1.13 -1.09 -1.82 117.35 122.58 3f7u s TYR 194 Ca -0.04 -0.54 -0.07 0.00 -1.41 0.00 0.00 57.07 55.01 3f7u s TYR 194 Cb -0.11 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 3f7u s TYR 194 CO -0.09 -0.92 0.11 -0.51 -2.51 0.00 0.00 175.55 171.64 3f7u s LEU 195 N -2.95 4.17 0.00 -3.49 1.43 -1.26 -0.78 118.68 115.80 3f7u s LEU 195 Ca 0.16 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3f7u s LEU 195 Cb -0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3f7u s LEU 195 CO 0.03 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3f7u n GLY 196 N 2.66 2.22 3.52 -3.19 0.00 0.02 -4.89 105.19 105.53 3f7u n GLY 196 Ca -0.18 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 3.13 0.55 1.61 1.04 -1.19 -1.37 113.70 119.46 3f7u s SER 197 Ca 0.00 -1.33 -0.20 0.00 0.48 0.00 0.00 55.95 54.90 3f7u s SER 197 Cb 0.00 -0.24 -0.05 0.00 0.10 0.00 0.00 66.02 65.83 3f7u s SER 197 CO 0.00 -0.47 1.21 -0.76 0.98 0.00 0.00 173.24 174.20 3f7u s LEU 198 N -3.58 3.78 -0.06 2.42 1.43 -0.74 -4.46 118.68 117.48 3f7u s LEU 198 Ca 0.35 2.40 0.19 0.00 -1.03 0.00 0.00 54.13 56.03 3f7u s LEU 198 Cb 0.08 -4.47 0.64 0.00 0.03 0.00 0.00 46.19 42.47 3f7u s LEU 198 CO 0.16 -1.39 1.54 0.35 0.23 0.00 0.00 176.35 177.24 3f7u n THR 199 N -1.22 1.36 -4.26 5.49 -2.24 -1.26 -4.41 114.28 107.74 3f7u n THR 199 Ca 0.11 -1.01 -0.18 0.00 -2.27 0.00 0.00 64.05 60.70 3f7u n THR 199 Cb 0.49 0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.52 1.40 0.21 4.28 -4.23 -1.26 -4.76 115.64 109.77 3f7u s THR 200 Ca 0.47 -1.76 -0.32 0.00 -1.18 0.00 0.00 61.69 58.89 3f7u s THR 200 Cb 0.28 -1.59 -0.14 0.00 1.34 0.00 0.00 72.50 72.38 3f7u s THR 200 CO 0.26 -0.42 1.26 -2.65 -0.54 0.00 0.00 174.62 172.54 3f7u n PRO 201 N 0.46 1.58 -0.39 3.99 -0.02 -1.26 0.29 135.00 139.65 3f7u n PRO 201 Ca -0.15 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3f7u n PRO 201 Cb 0.57 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.58 1.16 -3.44 3.45 -2.24 -1.26 -4.99 114.28 108.53 3f7u n THR 202 Ca 0.13 -0.73 -0.25 0.00 -2.27 0.00 0.00 64.05 60.93 3f7u n THR 202 Cb 0.28 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.94 5.70 -1.09 0.00 1.11 -1.26 -4.30 116.67 113.89 3f7u s ASP 204 Ca 0.47 2.78 -0.04 0.00 0.18 0.00 0.00 52.55 55.94 3f7u s ASP 204 Cb -0.23 -2.64 0.30 0.00 1.07 0.00 0.00 42.92 41.42 3f7u s ASP 204 CO 0.58 -1.28 1.60 -0.62 1.18 0.00 0.00 175.17 176.63 3f7u n GLU 205 N -0.52 4.63 -0.58 8.23 1.02 -1.26 -1.79 120.64 130.38 3f7u n GLU 205 Ca 0.07 -4.48 0.03 0.00 -0.02 0.00 0.00 57.16 52.76 3f7u n GLU 205 Cb 0.44 -2.53 0.05 0.00 -0.02 0.00 0.00 31.44 29.37 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 1.22 0.41 -4.80 3.49 2.85 -1.18 -4.44 118.16 115.71 3f7u n LYS 206 Ca 0.32 -1.70 -0.33 0.00 -1.05 0.00 0.00 58.31 55.55 3f7u n LYS 206 Cb 0.32 -0.73 -0.13 0.00 -0.65 0.00 0.00 35.03 33.84 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 -0.89 3.16 -0.38 0.58 1.01 -0.47 -1.06 120.40 122.35 3f7u s VAL 207 Ca 0.16 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 3f7u s VAL 207 Cb 0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3f7u s VAL 207 CO -0.03 0.56 0.29 0.54 0.00 0.00 0.00 175.10 176.46 3f7u s VAL 208 N -0.30 5.26 0.05 2.92 0.11 -0.25 -0.80 120.40 127.39 3f7u s VAL 208 Ca 0.03 -0.42 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 3f7u s VAL 208 Cb -0.13 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 3f7u s VAL 208 CO 0.03 -0.18 0.54 0.26 -3.33 0.00 0.00 175.10 172.41 3f7u s TRP 209 N 1.74 3.79 -0.11 1.54 0.52 0.04 -2.63 118.94 123.83 3f7u s TRP 209 Ca 0.06 1.21 0.01 0.00 0.02 0.00 0.00 56.10 57.41 3f7u s TRP 209 Cb -0.18 -2.46 0.02 0.00 -1.15 0.00 0.00 33.47 29.70 3f7u s TRP 209 CO 0.11 0.59 -0.13 0.99 0.02 0.00 0.00 176.95 178.52 3f7u s THR 210 N -1.06 1.37 -0.25 2.01 2.01 -0.59 -2.67 115.64 116.47 3f7u s THR 210 Ca 0.28 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 3f7u s THR 210 Cb -0.19 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.08 3f7u s THR 210 CO 0.18 0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 3f7u s VAL 211 N 1.15 2.61 0.37 3.82 1.01 -0.27 -0.02 120.40 129.07 3f7u s VAL 211 Ca -0.04 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.50 3f7u s VAL 211 Cb -0.14 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 3f7u s VAL 211 CO -0.03 0.17 1.07 -0.36 0.00 0.00 0.00 175.10 175.95 3f7u s PHE 212 N 1.26 3.33 0.18 5.22 0.40 -0.76 -0.95 117.98 126.65 3f7u s PHE 212 Ca -0.02 1.65 -0.06 0.00 -0.60 0.00 0.00 56.93 57.90 3f7u s PHE 212 Cb -0.17 -3.20 0.07 0.00 0.51 0.00 0.00 43.02 40.24 3f7u s PHE 212 CO -0.05 -0.68 1.52 -0.09 0.70 0.00 0.00 175.22 176.62 3f7u h ARG 213 N 2.85 0.75 -5.83 0.44 2.43 -1.55 -3.43 114.38 110.04 3f7u h ARG 213 Ca -0.48 -0.40 -0.57 0.00 -0.81 0.00 0.00 59.98 57.72 3f7u h ARG 213 Cb 1.22 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 3f7u h ARG 213 CO 0.63 1.03 -0.01 -2.00 -1.51 0.00 0.00 179.97 178.11 3f7u s GLU 214 N -4.29 4.35 0.60 0.20 2.56 -1.26 -5.02 118.70 115.85 3f7u s GLU 214 Ca -0.09 0.64 -0.13 0.00 0.00 0.00 0.00 54.97 55.38 3f7u s GLU 214 Cb 0.12 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.74 3f7u s GLU 214 CO 0.86 0.05 1.03 -2.14 -0.56 0.00 0.00 175.26 174.50 3f7u s PRO 215 N 0.92 3.49 0.12 4.30 0.02 -1.26 -4.66 135.00 137.93 3f7u s PRO 215 Ca 0.31 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 3f7u s PRO 215 Cb -0.16 -2.07 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3f7u s PRO 215 CO 0.13 -0.65 1.01 0.42 -0.33 0.00 0.00 177.00 177.58 3f7u s ILE 216 N -2.87 4.34 -0.18 2.83 1.01 0.36 -4.75 121.20 121.93 3f7u s ILE 216 Ca 0.58 1.93 -0.14 0.00 0.00 0.00 0.00 60.65 63.02 3f7u s ILE 216 Cb -0.12 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3f7u s ILE 216 CO 0.45 0.29 0.31 -1.10 0.00 0.00 0.00 174.94 174.89 3f7u s GLN 217 N 0.04 4.22 0.02 2.79 -1.52 -1.26 0.11 119.66 124.06 3f7u s GLN 217 Ca 0.49 0.09 0.02 0.00 -1.95 0.00 0.00 55.36 54.00 3f7u s GLN 217 Cb -0.25 -3.47 -0.02 0.00 -0.22 0.00 0.00 33.01 29.05 3f7u s GLN 217 CO 0.31 0.14 -0.06 -1.17 -0.25 0.00 0.00 175.29 174.25 3f7u s LEU 218 N 0.78 2.16 0.15 2.90 2.96 -0.14 -4.68 118.68 122.81 3f7u s LEU 218 Ca 0.16 -0.36 -0.34 0.00 -0.22 0.00 0.00 54.13 53.37 3f7u s LEU 218 Cb -0.14 -0.17 -0.15 0.00 0.50 0.00 0.00 46.19 46.23 3f7u s LEU 218 CO 0.05 -0.11 1.32 1.57 -1.32 0.00 0.00 176.35 177.86 3f7u n HIS 219 N 2.07 1.64 -0.23 5.38 -0.00 -0.70 -2.18 115.22 121.20 3f7u n HIS 219 Ca -0.19 0.57 0.18 0.00 0.46 0.00 0.00 57.72 58.74 3f7u n HIS 219 Cb 0.56 -2.36 0.33 0.00 -0.12 0.00 0.00 29.99 28.40 3f7u n HIS 219 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3f7u n ARG 220 N 2.28 -0.05 0.19 1.57 1.74 -1.26 0.32 116.66 121.45 3f7u n ARG 220 Ca 0.16 1.00 0.08 0.00 -0.77 0.00 0.00 57.85 58.32 3f7u n ARG 220 Cb 0.24 -1.72 0.16 0.00 -1.02 0.00 0.00 32.46 30.13 3f7u n ARG 220 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f7u h GLU 221 N 0.00 0.00 -0.04 5.56 5.08 -1.93 -0.27 114.58 122.98 3f7u h GLU 221 Ca 0.53 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.67 3f7u h GLU 221 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3f7u h GLU 221 CO -0.59 0.25 -0.87 1.96 -1.00 0.00 0.00 179.01 178.77 3f7u h GLN 222 N 0.00 0.48 -0.45 2.33 4.20 -0.48 -1.74 115.11 119.46 3f7u h GLN 222 Ca -0.00 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 3f7u h GLN 222 Cb 1.12 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 3f7u h GLN 222 CO 0.03 1.10 0.08 0.82 -0.67 0.00 0.00 178.83 180.20 3f7u h ILE 223 N 0.30 1.24 0.00 2.54 2.04 -1.03 -3.11 117.51 119.50 3f7u h ILE 223 Ca -0.07 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 3f7u h ILE 223 Cb 1.48 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3f7u h ILE 223 CO 0.15 0.31 -0.13 -0.07 0.00 0.00 0.00 178.15 178.42 3f7u h LEU 224 N 0.60 0.00 -1.77 1.44 3.38 -0.93 -1.78 115.31 116.25 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 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3f7u h LEU 224 CO 0.01 0.13 0.43 0.00 0.09 0.00 0.00 178.44 179.09 3f7u h ALA 225 N 1.87 2.25 0.41 1.53 0.00 -1.24 0.12 119.26 124.21 3f7u h ALA 225 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3f7u h ALA 225 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3f7u h ALA 225 CO 0.02 -0.42 -0.20 0.74 0.00 0.00 0.00 179.25 179.39 3f7u h PHE 226 N 0.24 -0.51 0.00 0.00 -1.00 -1.46 -1.55 116.94 112.66 3f7u h PHE 226 Ca 0.30 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.98 3f7u h PHE 226 Cb 0.85 0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 3f7u h PHE 226 CO -0.00 -0.22 -0.41 0.66 -1.61 0.00 0.00 178.31 176.73 3f7u h SER 227 N -0.73 0.00 0.20 2.17 4.64 -1.56 -2.25 113.55 116.01 3f7u h SER 227 Ca -0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 3f7u h SER 227 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3f7u h SER 227 CO 0.09 0.41 -0.65 1.56 -0.87 0.00 0.00 176.83 177.38 3f7u h GLN 227 N 0.00 0.43 0.00 4.77 4.20 -0.68 -3.39 115.11 120.44 3f7u h GLN 227 Ca -0.00 -0.31 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 3f7u h GLN 227 Cb 0.84 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 3f7u h GLN 227 CO 0.05 0.93 -2.06 1.63 -0.67 0.00 0.00 178.83 178.71 3f7u n LYS 228 N -3.88 0.67 -4.15 1.46 5.02 -0.59 -5.02 118.16 111.66 3f7u n LYS 228 Ca -0.04 -0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 55.89 3f7u n LYS 228 Cb 0.66 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 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 -5.01 3.42 0.05 -0.35 1.43 -0.85 -4.34 118.68 113.04 3f7u s LEU 229 Ca -0.08 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3f7u s LEU 229 Cb 0.10 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3f7u s LEU 229 CO 0.87 0.13 -0.11 -0.31 0.23 0.00 0.00 176.35 177.17 3f7u s TYR 230 N -1.49 0.91 0.08 0.29 1.51 -0.46 -1.30 117.35 116.87 3f7u s TYR 230 Ca 0.27 -0.47 0.17 0.00 -1.01 0.00 0.00 57.07 56.02 3f7u s TYR 230 Cb -0.11 -0.53 0.44 0.00 -0.11 0.00 0.00 41.96 41.66 3f7u s TYR 230 CO 0.19 -0.02 1.62 1.88 -1.11 0.00 0.00 175.55 178.11 3f7u h TYR 231 N 4.46 0.00 -3.50 2.71 0.05 -1.40 -3.39 116.97 115.89 3f7u h TYR 231 Ca -0.38 0.00 -0.40 0.00 0.05 0.00 0.00 58.73 58.01 3f7u h TYR 231 Cb 1.20 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.76 3f7u h TYR 231 CO 0.63 0.46 -0.75 0.16 -1.05 0.00 0.00 178.16 177.61 3f7u s ASP 232 N -6.47 1.97 0.33 3.88 -4.77 -1.26 -4.65 116.67 105.70 3f7u s ASP 232 Ca 0.01 -0.86 0.26 0.00 -3.30 0.00 0.00 52.55 48.67 3f7u s ASP 232 Cb 0.10 -0.06 0.90 0.00 -1.09 0.00 0.00 42.92 42.77 3f7u s ASP 232 CO 0.71 -0.18 1.77 0.11 0.70 0.00 0.00 175.17 178.28 3f7u h LYS 233 N 3.33 0.00 -0.01 2.11 1.57 -1.91 -1.73 116.57 119.93 3f7u h LYS 233 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3f7u h LYS 233 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3f7u h LYS 233 CO 0.54 0.00 -0.09 0.39 -0.57 0.00 0.00 179.45 179.71 3f7u n GLU 236 N -2.56 1.07 -3.65 3.15 4.71 -1.26 -4.92 120.64 117.18 3f7u n GLU 236 Ca 0.03 -0.49 -0.23 0.00 -0.01 0.00 0.00 57.16 56.46 3f7u n GLU 236 Cb 0.36 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 29.33 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 -0.54 -3.63 -0.02 3.49 6.02 -0.65 -4.93 117.38 117.12 3f7u n GLN 237 Ca 0.17 0.60 0.04 0.00 -0.01 0.00 0.00 57.00 57.80 3f7u n GLN 237 Cb 0.30 -4.99 -0.11 0.00 1.02 0.00 0.00 30.24 26.46 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 -4.12 0.20 -3.95 5.09 -2.24 -1.26 -4.91 114.28 103.08 3f7u n THR 238 Ca -0.22 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 3f7u n THR 238 Cb 0.65 -0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.82 1.69 0.35 2.28 1.01 -1.26 -5.09 120.40 116.56 3f7u s VAL 239 Ca -0.05 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 3f7u s VAL 239 Cb 0.08 -2.02 -0.12 0.00 0.00 0.00 0.00 36.38 34.32 3f7u s VAL 239 CO 0.57 -0.24 1.26 -1.20 0.00 0.00 0.00 175.10 175.48 3f7u n SER 240 N 4.58 2.60 -4.62 3.32 7.64 -1.26 -1.18 113.62 124.69 3f7u n SER 240 Ca -0.08 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 60.56 3f7u n SER 240 Cb 0.43 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 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 -1.89 3.93 0.19 1.43 0.00 -0.42 -4.62 119.30 117.92 3f7u s MET 241 Ca 0.56 0.86 -0.23 0.00 0.00 0.00 0.00 55.69 56.88 3f7u s MET 241 Cb -0.57 -3.80 0.05 0.00 0.00 0.00 0.00 34.83 30.51 3f7u s MET 241 CO 0.62 -1.08 0.76 -1.59 0.00 0.00 0.00 175.02 173.73 3f7u s LYS 242 N 3.95 1.41 -1.51 4.11 -2.85 -1.26 -3.79 119.74 119.79 3f7u s LYS 242 Ca 0.46 -0.70 -0.13 0.00 -1.00 0.00 0.00 55.97 54.60 3f7u s LYS 242 Cb -0.10 0.53 0.08 0.00 -2.06 0.00 0.00 37.83 36.28 3f7u s LYS 242 CO 0.22 -0.64 0.88 -0.25 0.10 0.00 0.00 175.35 175.66 3f7u n ASP 243 N -0.42 -4.68 -3.59 0.03 8.00 0.58 -4.86 116.55 111.62 3f7u n ASP 243 Ca -0.08 -0.70 -0.41 0.00 0.71 0.00 0.00 54.79 54.30 3f7u n ASP 243 Cb 0.61 -3.76 -0.01 0.00 -0.02 0.00 0.00 41.12 37.95 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 -2.72 6.48 -4.02 -2.24 6.94 -1.21 -4.69 115.26 113.81 3f7u n ASN 244 Ca 0.03 -2.90 -0.27 0.00 -0.02 0.00 0.00 54.58 51.42 3f7u n ASN 244 Cb 0.53 -1.52 -0.17 0.00 -2.36 0.00 0.00 39.78 36.26 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 1.22 1.30 0.09 3.53 1.01 -1.26 -4.52 120.40 121.77 3f7u s VAL 245 Ca 0.53 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3f7u s VAL 245 Cb 0.15 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.26 3f7u s VAL 245 CO -0.06 0.40 0.72 -0.60 0.00 0.00 0.00 175.10 175.56 3f7u s ARG 246 N 1.04 4.46 0.87 2.72 3.52 -1.26 -4.85 118.95 125.45 3f7u s ARG 246 Ca -0.07 1.01 -0.12 0.00 -0.13 0.00 0.00 55.73 56.43 3f7u s ARG 246 Cb -0.15 -3.30 0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3f7u s ARG 246 CO -0.01 0.47 1.04 -0.35 -0.81 0.00 0.00 175.30 175.64 3f7u n PRO 247 N 2.13 -0.15 -1.78 5.12 -0.04 -1.26 -4.74 135.00 134.29 3f7u n PRO 247 Ca -0.05 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 3f7u n PRO 247 Cb 0.50 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 3f7u n PRO 247 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f7u s LEU 248 N -5.21 4.33 0.40 1.53 1.43 -1.26 -4.49 118.68 115.40 3f7u s LEU 248 Ca 0.68 3.02 0.08 0.00 -1.03 0.00 0.00 54.13 56.88 3f7u s LEU 248 Cb -0.26 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3f7u s LEU 248 CO 0.56 -0.90 0.36 -1.10 0.23 0.00 0.00 176.35 175.50 3f7u s GLN 249 N -1.46 2.56 -0.05 1.70 -1.52 0.12 -4.98 119.66 116.03 3f7u s GLN 249 Ca 0.57 -1.50 -0.24 0.00 -1.95 0.00 0.00 55.36 52.24 3f7u s GLN 249 Cb -0.47 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 3f7u s GLN 249 CO 0.57 -0.14 0.72 -0.65 -0.25 0.00 0.00 175.29 175.54 3f7u s GLN 250 N -4.10 4.44 0.28 2.91 -1.52 -1.26 -4.58 119.66 115.84 3f7u s GLN 250 Ca 0.47 0.92 0.02 0.00 -1.95 0.00 0.00 55.36 54.82 3f7u s GLN 250 Cb -0.04 -3.43 0.62 0.00 -0.22 0.00 0.00 33.01 29.94 3f7u s GLN 250 CO 0.28 0.10 1.79 1.25 -0.25 0.00 0.00 175.29 178.45 3f7u h LEU 251 N 6.56 0.73 0.00 2.90 5.85 -1.92 -3.43 115.31 126.00 3f7u h LEU 251 Ca -0.42 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3f7u h LEU 251 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3f7u h LEU 251 CO 0.74 0.31 0.00 0.61 -0.34 0.00 0.00 178.44 179.76 3f7u n GLY 252 N -1.33 2.20 0.15 3.75 0.00 -1.26 -3.26 105.19 105.44 3f7u n GLY 252 Ca 0.20 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 12.41 1.20 -1.89 1.61 6.02 -1.26 -4.92 117.38 130.55 3f7u n GLN 253 Ca 0.00 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.38 3f7u n GLN 253 Cb 0.00 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.99 3.35 0.12 -1.09 0.52 -1.20 -5.08 118.95 113.59 3f7u s ARG 254 Ca 0.42 0.96 0.07 0.00 -0.52 0.00 0.00 55.73 56.66 3f7u s ARG 254 Cb 0.20 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 3f7u s ARG 254 CO 0.34 -0.77 -0.08 0.95 0.02 0.00 0.00 175.30 175.75 3f7u s THR 255 N -2.88 3.42 -0.14 0.02 -4.23 -1.26 -5.03 115.64 105.53 3f7u s THR 255 Ca 0.59 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3f7u s THR 255 Cb -0.13 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3f7u s THR 255 CO 0.47 0.05 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.88 3f7u s VAL 256 N -1.35 3.95 0.35 2.29 1.01 -1.26 -4.66 120.40 120.72 3f7u s VAL 256 Ca 0.23 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.94 3f7u s VAL 256 Cb -0.11 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3f7u s VAL 256 CO 0.15 0.52 -0.06 0.27 0.00 0.00 0.00 175.10 175.98 3f7u s ILE 257 N 0.09 2.02 0.13 2.22 -4.36 -0.75 -3.72 121.20 116.82 3f7u s ILE 257 Ca -0.00 -2.13 -0.04 0.00 -0.26 0.00 0.00 60.65 58.21 3f7u s ILE 257 Cb -0.13 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 3f7u s ILE 257 CO 0.03 -0.16 0.12 -1.59 0.24 0.00 0.00 174.94 173.58 3f7u s LYS 258 N -3.67 0.94 0.00 0.37 -2.85 -0.20 -0.95 119.74 113.38 3f7u s LYS 258 Ca 0.33 -1.29 0.32 0.00 -1.00 0.00 0.00 55.97 54.33 3f7u s LYS 258 Cb 0.05 0.29 1.83 0.00 -2.06 0.00 0.00 37.83 37.94 3f7u s LYS 258 CO 0.16 -0.29 2.19 -1.13 0.10 0.00 0.00 175.35 176.38