#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 -3.87 3.49 0.28 0.00 2.02 -1.26 -3.69 117.35 114.31 3f7u s TYR 7 Ca 0.09 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.96 3f7u s TYR 7 Cb -0.02 -2.56 0.65 0.00 -0.40 0.00 0.00 41.96 39.63 3f7u s TYR 7 CO -0.02 -0.24 1.65 0.93 -1.57 0.00 0.00 175.55 176.30 3f7u h GLU 8 N 0.95 0.21 -0.63 -0.62 5.08 -1.89 0.34 114.58 118.02 3f7u h GLU 8 Ca -0.47 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 3f7u h GLU 8 Cb 1.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3f7u h GLU 8 CO 0.63 0.14 0.42 -0.24 -1.00 0.00 0.00 179.01 178.96 3f7u h VAL 9 N 0.22 1.15 -0.33 3.13 3.04 -1.91 -1.83 116.25 119.72 3f7u h VAL 9 Ca 0.52 -0.29 -0.11 0.00 -1.01 0.00 0.00 66.70 65.81 3f7u h VAL 9 Cb 1.01 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3f7u h VAL 9 CO -0.63 0.15 -0.26 1.56 -1.01 0.00 0.00 177.57 177.38 3f7u h GLN 10 N 0.84 0.66 -0.67 4.17 4.20 -1.30 -2.84 115.11 120.16 3f7u h GLN 10 Ca 0.23 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3f7u h GLN 10 Cb -0.07 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3f7u h GLN 10 CO -0.05 0.85 0.40 0.00 -0.67 0.00 0.00 178.83 179.36 3f7u h ALA 11 N 1.14 1.45 0.00 3.87 0.00 -1.16 -2.49 119.26 122.07 3f7u h ALA 11 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3f7u h ALA 11 Cb 0.74 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3f7u h ALA 11 CO 0.06 0.48 0.05 0.39 0.00 0.00 0.00 179.25 180.23 3f7u n GLU 11 N -4.40 0.95 0.00 0.00 1.02 -1.07 -5.05 120.64 112.09 3f7u n GLU 11 Ca 0.07 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3f7u n GLU 11 Cb 0.07 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 2.67 0.00 0.00 1.62 3.41 -0.94 -5.06 113.62 115.31 3f7u n SER 11 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3f7u n SER 11 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 6.04 0.78 0.00 2.96 -1.26 -4.91 118.68 122.29 3f7u s LEU 11 Ca 0.00 -1.95 -0.11 0.00 -0.22 0.00 0.00 54.13 51.85 3f7u s LEU 11 Cb 0.00 -2.13 0.06 0.00 0.50 0.00 0.00 46.19 44.62 3f7u s LEU 11 CO 0.00 -0.76 1.10 0.68 -1.32 0.00 0.00 176.35 176.05 3f7u s VAL 12 N 1.33 3.18 0.29 1.68 -7.23 -1.26 -0.93 120.40 117.46 3f7u s VAL 12 Ca 0.06 0.40 0.04 0.00 -1.81 0.00 0.00 61.98 60.67 3f7u s VAL 12 Cb -0.26 -2.84 0.29 0.00 0.56 0.00 0.00 36.38 34.13 3f7u s VAL 12 CO 0.00 -0.49 1.78 -0.65 -0.31 0.00 0.00 175.10 175.44 3f7u h PRO 13 N -1.12 0.77 0.00 4.82 0.11 -1.91 0.46 132.00 135.12 3f7u h PRO 13 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3f7u h PRO 13 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3f7u h PRO 13 CO 0.50 0.51 0.00 1.33 -0.21 0.00 0.00 178.00 180.13 3f7u n VAL 14 N -4.75 1.09 0.45 3.15 0.24 -1.26 -2.19 118.33 115.05 3f7u n VAL 14 Ca 0.22 0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.85 3f7u n VAL 14 Cb 0.52 -1.05 0.05 0.00 -1.47 0.00 0.00 33.84 31.89 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 0.50 -1.60 7.34 5.02 0.16 -5.01 118.16 123.07 3f7u n LYS 15 Ca 0.03 -1.14 -0.37 0.00 -2.02 0.00 0.00 58.31 54.81 3f7u n LYS 15 Cb 0.15 -1.21 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.60 0.97 -1.27 2.13 8.01 -0.86 -4.87 117.44 122.15 3f7u n TRP 16 Ca 0.06 0.42 0.00 0.00 -1.31 0.00 0.00 57.50 56.68 3f7u n TRP 16 Cb 0.27 -2.15 0.00 0.00 -2.01 0.00 0.00 31.31 27.42 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 1.21 0.46 7.00 6.99 0.00 -1.26 -4.41 105.19 115.17 3f7u n GLY 20 Ca 0.14 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 2.84 1.06 -0.02 0.00 -1.26 -1.11 105.19 111.70 3f7u n GLY 21 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 3.65 3.05 0.07 1.61 3.02 -0.10 -4.53 115.26 122.04 3f7u n ASN 22 Ca 0.00 -2.30 0.11 0.00 -0.03 0.00 0.00 54.58 52.37 3f7u n ASN 22 Cb 0.00 -0.47 0.45 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.96 3.32 0.00 0.00 1.13 -1.26 -4.97 117.38 113.63 3f7u n GLN 24 Ca 0.04 -2.69 0.00 0.00 -1.94 0.00 0.00 57.00 52.41 3f7u n GLN 24 Cb 0.28 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 0.93 -0.04 0.00 -1.09 5.02 -0.86 -5.02 118.16 117.10 3f7u n LYS 25 Ca 0.22 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 3f7u n LYS 25 Cb 0.76 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.80 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 -2.32 1.71 -2.81 4.39 8.00 -1.26 -4.54 116.55 119.73 3f7u n ASP 26 Ca 0.00 -1.35 -0.21 0.00 0.71 0.00 0.00 54.79 53.93 3f7u n ASP 26 Cb 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.47 2.35 -3.63 -1.24 1.74 -1.26 -4.77 116.66 110.33 3f7u n ARG 27 Ca 0.05 -4.09 -0.26 0.00 -0.77 0.00 0.00 57.85 52.78 3f7u n ARG 27 Cb 0.22 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 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 -3.19 3.51 0.31 5.56 -1.52 -1.26 -3.33 119.66 119.74 3f7u s GLN 28 Ca 0.42 -0.37 0.09 0.00 -1.95 0.00 0.00 55.36 53.56 3f7u s GLN 28 Cb 0.37 -2.79 -0.06 0.00 -0.22 0.00 0.00 33.01 30.31 3f7u s GLN 28 CO -0.10 0.33 -0.11 -1.12 -0.25 0.00 0.00 175.29 174.04 3f7u s SER 29 N -3.48 3.44 0.94 5.90 0.01 -1.26 -4.62 113.70 114.63 3f7u s SER 29 Ca 0.39 -1.16 -0.10 0.00 1.31 0.00 0.00 55.95 56.39 3f7u s SER 29 Cb -0.10 -0.29 0.16 0.00 0.21 0.00 0.00 66.02 66.00 3f7u s SER 29 CO 0.31 -0.19 0.98 -0.81 0.41 0.00 0.00 173.24 173.94 3f7u n PRO 30 N -0.70 -0.81 -4.04 12.44 -0.04 -1.26 -4.59 135.00 136.01 3f7u n PRO 30 Ca -0.05 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.62 3f7u n PRO 30 Cb 0.63 -0.96 -0.07 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.08 0.02 0.04 0.52 -4.36 -1.26 -1.04 121.20 112.05 3f7u s ILE 31 Ca 0.57 -1.56 -0.25 0.00 -0.26 0.00 0.00 60.65 59.15 3f7u s ILE 31 Cb -0.02 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 3f7u s ILE 31 CO 0.40 -0.11 0.76 0.21 0.24 0.00 0.00 174.94 176.44 3f7u s ASN 32 N -3.04 7.21 -0.37 4.36 2.47 -1.26 -2.94 114.94 121.36 3f7u s ASN 32 Ca 0.25 1.45 -0.11 0.00 0.42 0.00 0.00 52.86 54.87 3f7u s ASN 32 Cb 0.03 -2.47 0.03 0.00 -1.45 0.00 0.00 41.25 37.39 3f7u s ASN 32 CO 0.07 0.02 0.21 -0.63 -3.72 0.00 0.00 177.10 173.04 3f7u s ILE 33 N -0.06 4.56 -0.63 -5.21 1.01 -0.26 -4.96 121.20 115.66 3f7u s ILE 33 Ca 0.38 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 3f7u s ILE 33 Cb -0.20 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.76 3f7u s ILE 33 CO 0.23 -0.24 1.09 -0.69 0.00 0.00 0.00 174.94 175.34 3f7u s VAL 34 N 1.55 4.11 0.20 2.92 1.01 -1.26 -0.37 120.40 128.56 3f7u s VAL 34 Ca 0.02 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 3f7u s VAL 34 Cb -0.19 -4.71 0.13 0.00 0.00 0.00 0.00 36.38 31.61 3f7u s VAL 34 CO 0.07 -1.43 1.80 0.71 0.00 0.00 0.00 175.10 176.24 3f7u h THR 35 N 6.05 1.23 0.00 3.92 1.35 -1.95 -0.97 112.91 122.54 3f7u h THR 35 Ca -0.27 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3f7u h THR 35 Cb 1.06 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3f7u h THR 35 CO 1.18 0.26 0.00 0.35 -0.25 0.00 0.00 175.52 177.06 3f7u n THR 36 N -4.44 1.53 0.80 6.82 -2.24 -1.26 -1.92 114.28 113.56 3f7u n THR 36 Ca 0.06 0.38 0.09 0.00 -2.27 0.00 0.00 64.05 62.31 3f7u n THR 36 Cb 0.11 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 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 -1.49 1.53 -2.93 -0.78 5.02 -0.38 -4.83 118.16 114.31 3f7u n LYS 37 Ca 0.02 -0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 55.10 3f7u n LYS 37 Cb 0.07 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.12 3.43 0.22 7.82 0.00 -0.81 -4.81 121.76 125.51 3f7u s ALA 38 Ca 0.14 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 3f7u s ALA 38 Cb 0.14 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 3f7u s ALA 38 CO 0.48 -1.49 1.10 0.15 0.00 0.00 0.00 175.76 176.00 3f7u s LYS 39 N 3.16 4.62 0.33 0.00 1.02 -1.19 -4.61 119.74 123.07 3f7u s LYS 39 Ca 0.33 1.76 -0.29 0.00 0.02 0.00 0.00 55.97 57.78 3f7u s LYS 39 Cb -0.13 -3.24 -0.11 0.00 -0.52 0.00 0.00 37.83 33.83 3f7u s LYS 39 CO 0.17 0.14 1.49 0.08 -0.92 0.00 0.00 175.35 176.31 3f7u s VAL 40 N -0.66 2.23 -0.16 3.17 1.01 -1.26 -1.62 120.40 123.10 3f7u s VAL 40 Ca 0.47 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3f7u s VAL 40 Cb -0.31 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 32.98 3f7u s VAL 40 CO 0.38 0.04 -0.04 -0.62 0.00 0.00 0.00 175.10 174.85 3f7u s ASP 41 N 0.07 2.73 0.58 3.32 -1.08 0.81 -4.85 116.67 118.25 3f7u s ASP 41 Ca 0.56 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 52.25 3f7u s ASP 41 Cb -0.45 -0.86 1.55 0.00 -1.46 0.00 0.00 42.92 41.69 3f7u s ASP 41 CO 0.54 -0.19 2.02 0.11 0.52 0.00 0.00 175.17 178.18 3f7u h LYS 42 N 8.14 0.00 0.00 4.34 1.79 -1.95 -0.67 116.57 128.22 3f7u h LYS 42 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3f7u h LYS 42 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3f7u h LYS 42 CO 0.39 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.39 3f7u n LYS 43 N -3.91 0.14 -2.69 3.15 5.02 -1.26 -4.60 118.16 114.01 3f7u n LYS 43 Ca 0.05 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.22 3f7u n LYS 43 Cb 0.47 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 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 -3.98 4.06 0.00 -0.35 1.43 -0.26 -4.32 118.68 115.26 3f7u s LEU 44 Ca 0.07 -1.84 -0.10 0.00 -1.03 0.00 0.00 54.13 51.23 3f7u s LEU 44 Cb 0.11 -2.51 0.19 0.00 0.03 0.00 0.00 46.19 44.00 3f7u s LEU 44 CO 0.41 -1.30 1.17 0.61 0.23 0.00 0.00 176.35 177.47 3f7u n GLY 45 N 6.14 -0.69 3.68 -3.19 0.00 -1.26 -4.70 105.19 105.18 3f7u n GLY 45 Ca 0.33 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 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 -5.52 1.12 0.33 1.61 1.70 -1.26 -3.30 118.95 113.63 3f7u s ARG 46 Ca 0.70 1.43 -0.09 0.00 -0.47 0.00 0.00 55.73 57.29 3f7u s ARG 46 Cb -0.03 -1.75 -0.06 0.00 -0.57 0.00 0.00 34.95 32.54 3f7u s ARG 46 CO 0.48 -2.52 0.66 -0.06 -1.08 0.00 0.00 175.30 172.78 3f7u s PHE 47 N -2.69 3.45 -0.20 5.89 0.40 -1.26 -1.64 117.98 121.93 3f7u s PHE 47 Ca 0.66 0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 3f7u s PHE 47 Cb -0.22 -2.31 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 3f7u s PHE 47 CO 0.58 0.07 -0.04 -0.06 0.70 0.00 0.00 175.22 176.47 3f7u s PHE 48 N -2.15 2.97 -0.11 0.36 0.08 0.11 -4.88 117.98 114.36 3f7u s PHE 48 Ca 0.49 -0.69 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 3f7u s PHE 48 Cb -0.11 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3f7u s PHE 48 CO 0.28 -0.37 0.22 -0.06 -0.10 0.00 0.00 175.22 175.19 3f7u s PHE 49 N 1.11 3.58 -0.10 0.36 0.08 -1.26 -1.84 117.98 119.91 3f7u s PHE 49 Ca 0.02 0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.71 3f7u s PHE 49 Cb -0.15 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 3f7u s PHE 49 CO 0.00 0.57 -0.18 0.45 -0.10 0.00 0.00 175.22 175.96 3f7u s SER 50 N -0.59 2.53 0.00 1.36 0.15 0.10 -4.69 113.70 112.55 3f7u s SER 50 Ca 0.16 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3f7u s SER 50 Cb -0.13 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3f7u s SER 50 CO 0.05 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.18 3f7u n GLY 50 N 3.84 0.92 0.17 9.45 0.00 -1.26 -0.71 105.19 117.60 3f7u n GLY 50 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.19 116.97 111.54 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 0.43 -0.23 -0.40 -0.00 0.00 0.00 178.16 177.95 3f7u n ASP 52 N -3.49 0.31 -4.69 3.88 3.85 -1.26 -0.81 116.55 114.34 3f7u n ASP 52 Ca 0.00 0.21 -0.42 0.00 -0.71 0.00 0.00 54.79 53.86 3f7u n ASP 52 Cb 0.56 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 40.11 3f7u n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3f7u s LYS 53 N -3.02 4.37 -0.08 0.11 1.02 -1.21 -4.80 119.74 116.13 3f7u s LYS 53 Ca 0.12 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 3f7u s LYS 53 Cb 0.17 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3f7u s LYS 53 CO 0.61 -0.41 1.44 0.15 -0.92 0.00 0.00 175.35 176.22 3f7u s LYS 54 N 2.21 4.23 0.10 1.68 -0.14 -1.26 -4.19 119.74 122.36 3f7u s LYS 54 Ca 0.53 1.93 0.03 0.00 -1.36 0.00 0.00 55.97 57.09 3f7u s LYS 54 Cb -0.22 -3.80 -0.04 0.00 -1.68 0.00 0.00 37.83 32.10 3f7u s LYS 54 CO 0.20 -0.72 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.34 3f7u s GLN 55 N 3.40 0.85 -0.35 1.68 -1.52 -0.32 -4.82 119.66 118.59 3f7u s GLN 55 Ca 0.64 -1.28 -0.14 0.00 -1.95 0.00 0.00 55.36 52.63 3f7u s GLN 55 Cb -0.28 -0.34 -0.01 0.00 -0.22 0.00 0.00 33.01 32.16 3f7u s GLN 55 CO 0.23 0.02 0.28 0.95 -0.25 0.00 0.00 175.29 176.52 3f7u s THR 56 N -3.22 5.26 0.21 -0.19 -4.23 -1.26 -1.61 115.64 110.59 3f7u s THR 56 Ca 0.10 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.32 3f7u s THR 56 Cb 0.02 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 3f7u s THR 56 CO -0.03 -0.08 0.44 0.26 -0.54 0.00 0.00 174.62 174.67 3f7u s TRP 57 N 1.78 3.47 -0.08 3.99 0.52 -1.26 -4.88 118.94 122.49 3f7u s TRP 57 Ca 0.07 0.53 -0.16 0.00 0.02 0.00 0.00 56.10 56.56 3f7u s TRP 57 Cb -0.17 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3f7u s TRP 57 CO 0.11 0.34 0.43 0.99 0.02 0.00 0.00 176.95 178.83 3f7u s THR 58 N -1.85 5.13 -0.03 2.01 2.01 -1.26 -0.31 115.64 121.34 3f7u s THR 58 Ca 0.41 0.86 0.06 0.00 0.31 0.00 0.00 61.69 63.34 3f7u s THR 58 Cb -0.11 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 3f7u s THR 58 CO 0.27 0.43 -0.22 0.54 -0.69 0.00 0.00 174.62 174.95 3f7u s VAL 59 N -0.07 1.77 0.12 3.82 0.11 -0.62 -2.88 120.40 122.64 3f7u s VAL 59 Ca 0.24 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.42 3f7u s VAL 59 Cb -0.15 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3f7u s VAL 59 CO 0.11 0.50 -0.17 0.00 -3.33 0.00 0.00 175.10 172.20 3f7u s GLN 60 N -0.39 1.09 -0.31 1.54 -2.07 0.28 -1.68 119.66 118.12 3f7u s GLN 60 Ca 0.05 -1.22 -0.14 0.00 -1.82 0.00 0.00 55.36 52.23 3f7u s GLN 60 Cb -0.10 -1.15 -0.03 0.00 -1.09 0.00 0.00 33.01 30.65 3f7u s GLN 60 CO 0.00 0.24 0.32 1.21 -1.32 0.00 0.00 175.29 175.75 3f7u s ASN 61 N -2.24 6.16 -0.02 12.60 3.84 -0.39 -0.52 114.94 134.36 3f7u s ASN 61 Ca 0.08 -0.07 0.18 0.00 0.21 0.00 0.00 52.86 53.26 3f7u s ASN 61 Cb -0.07 -2.18 0.53 0.00 -0.55 0.00 0.00 41.25 38.98 3f7u s ASN 61 CO 0.04 -0.23 1.45 -0.46 -2.79 0.00 0.00 177.10 175.11 3f7u n ASN 62 N 5.28 3.71 0.00 -4.21 6.94 -1.02 -0.79 115.26 125.18 3f7u n ASN 62 Ca -0.10 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 3f7u n ASN 62 Cb 0.50 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 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 1.09 1.88 0.00 4.83 0.00 -1.26 -4.74 105.19 106.99 3f7u n GLY 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.60 1.61 8.25 -1.26 -4.82 115.22 113.39 3f7u n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f7u n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.29 -0.27 -4.43 0.41 2.88 -1.26 -4.86 113.62 104.80 3f7u n SER 65 Ca 0.00 -1.12 -0.32 0.00 -1.33 0.00 0.00 58.87 56.10 3f7u n SER 65 Cb 0.00 0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.39 2.70 -0.04 2.46 0.11 -1.26 -2.42 120.40 119.56 3f7u s VAL 66 Ca 0.04 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 3f7u s VAL 66 Cb -0.00 -2.06 0.03 0.00 -1.53 0.00 0.00 36.38 32.82 3f7u s VAL 66 CO 0.01 0.49 0.09 -0.32 -3.33 0.00 0.00 175.10 172.04 3f7u s MET 67 N -0.97 0.04 -0.17 1.54 0.00 0.32 -3.53 119.30 116.52 3f7u s MET 67 Ca 0.12 0.28 -0.09 0.00 0.00 0.00 0.00 55.69 56.00 3f7u s MET 67 Cb -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 34.83 34.49 3f7u s MET 67 CO 0.02 -0.16 0.14 -1.64 0.00 0.00 0.00 175.02 173.38 3f7u s MET 68 N 1.05 3.98 -0.28 4.11 -1.94 0.19 -0.56 119.30 125.85 3f7u s MET 68 Ca -0.08 -0.18 -0.23 0.00 -1.71 0.00 0.00 55.69 53.49 3f7u s MET 68 Cb -0.11 -3.35 -0.00 0.00 2.01 0.00 0.00 34.83 33.37 3f7u s MET 68 CO -0.04 0.44 0.78 -0.51 -0.01 0.00 0.00 175.02 175.67 3f7u s LEU 69 N -0.04 4.08 -0.01 -0.03 1.43 -1.14 -1.10 118.68 121.88 3f7u s LEU 69 Ca 0.10 0.79 0.21 0.00 -1.03 0.00 0.00 54.13 54.20 3f7u s LEU 69 Cb -0.11 -3.08 -0.26 0.00 0.03 0.00 0.00 46.19 42.77 3f7u s LEU 69 CO 0.00 -0.55 0.75 0.18 0.23 0.00 0.00 176.35 176.96 3f7u n LEU 70 N 6.07 0.60 -3.91 1.79 4.77 -0.10 -4.70 117.00 121.51 3f7u n LEU 70 Ca 0.04 -0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.47 3f7u n LEU 70 Cb 0.48 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3f7u n LEU 70 CO 0.48 0.15 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.86 3f7u n GLU 71 N -1.81 -3.21 -1.25 3.23 1.02 -1.23 -0.41 120.64 116.98 3f7u n GLU 71 Ca 0.01 0.42 -0.11 0.00 -0.02 0.00 0.00 57.16 57.46 3f7u n GLU 71 Cb 0.43 -4.52 -0.05 0.00 -0.02 0.00 0.00 31.44 27.28 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 -2.96 -3.52 -0.44 1.62 3.02 -0.64 -4.83 115.26 107.51 3f7u n ASN 72 Ca -0.29 0.27 0.08 0.00 -0.03 0.00 0.00 54.58 54.60 3f7u n ASN 72 Cb 0.68 -3.09 0.30 0.00 -0.61 0.00 0.00 39.78 37.06 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 -1.42 1.57 -3.57 3.52 5.02 0.45 -4.81 118.16 118.92 3f7u n LYS 76 Ca -0.11 -0.87 -0.14 0.00 -2.02 0.00 0.00 58.31 55.17 3f7u n LYS 76 Cb 0.41 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.76 -1.33 0.27 7.82 0.00 -1.26 -4.63 121.76 120.87 3f7u s ALA 77 Ca 0.26 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 3f7u s ALA 77 Cb 0.13 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3f7u s ALA 77 CO 0.20 -0.51 0.58 -1.54 0.00 0.00 0.00 175.76 174.49 3f7u s SER 78 N -2.00 -0.10 0.11 0.00 1.04 0.11 -1.15 113.70 111.70 3f7u s SER 78 Ca -0.05 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.55 3f7u s SER 78 Cb -0.01 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 3f7u s SER 78 CO -0.02 -1.25 -0.08 0.27 0.98 0.00 0.00 173.24 173.14 3f7u s ILE 79 N -3.83 0.82 0.34 -1.02 -4.36 -0.41 -0.73 121.20 112.02 3f7u s ILE 79 Ca 0.18 -1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 3f7u s ILE 79 Cb -0.03 -1.62 0.02 0.00 1.25 0.00 0.00 42.46 42.09 3f7u s ILE 79 CO 0.09 -0.78 0.61 -0.94 0.24 0.00 0.00 174.94 174.17 3f7u s SER 80 N -2.91 0.32 0.15 4.36 1.04 -0.77 -1.47 113.70 114.43 3f7u s SER 80 Ca 0.11 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.34 3f7u s SER 80 Cb 0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3f7u s SER 80 CO -0.03 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.38 3f7u n GLY 81 N -0.51 -1.09 2.23 7.32 0.00 -1.26 0.07 105.19 111.94 3f7u n GLY 81 Ca -0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 0.63 3.21 -0.02 0.00 -0.65 -0.95 105.19 107.39 3f7u n GLY 82 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.50 0.43 3.78 -0.02 0.00 -1.26 -4.73 105.19 101.89 3f7u n GLY 83 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.05 0.27 0.99 1.43 -0.13 -4.95 118.68 120.35 3f7u s LEU 84 Ca 0.00 2.09 0.25 0.00 -1.03 0.00 0.00 54.13 55.44 3f7u s LEU 84 Cb 0.00 -4.27 0.73 0.00 0.03 0.00 0.00 46.19 42.68 3f7u s LEU 84 CO 0.00 -0.65 1.74 1.55 0.23 0.00 0.00 176.35 179.22 3f7u h PRO 85 N 2.21 0.00 -3.47 1.29 0.13 -1.95 -3.42 132.00 126.79 3f7u h PRO 85 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3f7u h PRO 85 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 3f7u h PRO 85 CO 0.61 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.42 3f7u s ALA 86 N -3.16 -0.30 0.38 -0.56 0.00 -1.26 -5.10 121.76 111.76 3f7u s ALA 86 Ca 0.09 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 3f7u s ALA 86 Cb 0.10 0.94 -0.10 0.00 0.00 0.00 0.00 23.12 24.07 3f7u s ALA 86 CO 0.60 -0.91 0.98 -1.25 0.00 0.00 0.00 175.76 175.18 3f7u s PRO 87 N -3.26 4.35 -0.07 0.00 0.04 -1.26 -4.75 135.00 130.05 3f7u s PRO 87 Ca 0.21 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.63 3f7u s PRO 87 Cb -0.03 -2.55 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 3f7u s PRO 87 CO 0.12 0.06 -0.21 0.71 0.04 0.00 0.00 177.00 177.72 3f7u s TYR 88 N -1.77 2.21 0.00 0.56 1.51 -0.54 -1.60 117.35 117.72 3f7u s TYR 88 Ca 0.56 -0.78 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 3f7u s TYR 88 Cb -0.17 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3f7u s TYR 88 CO 0.22 -0.29 0.62 -0.65 -1.11 0.00 0.00 175.55 174.34 3f7u s GLN 89 N 0.18 4.34 0.11 -0.62 -0.21 -0.20 -1.28 119.66 121.97 3f7u s GLN 89 Ca -0.11 0.78 -0.31 0.00 0.02 0.00 0.00 55.36 55.74 3f7u s GLN 89 Cb -0.15 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.44 3f7u s GLN 89 CO 0.05 0.36 1.39 0.00 -2.12 0.00 0.00 175.29 174.98 3f7u s ALA 90 N -0.19 3.59 -0.13 6.09 0.00 -0.30 -0.44 121.76 130.39 3f7u s ALA 90 Ca 0.32 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 3f7u s ALA 90 Cb -0.19 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 3f7u s ALA 90 CO 0.18 -0.63 -0.14 1.63 0.00 0.00 0.00 175.76 176.80 3f7u n LYS 91 N 4.01 0.30 -3.55 0.00 4.76 0.39 -1.61 118.16 122.46 3f7u n LYS 91 Ca 0.12 0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.50 3f7u n LYS 91 Cb 0.42 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.25 0.88 -0.06 1.97 1.03 -1.19 -0.92 119.66 119.11 3f7u s GLN 92 Ca -0.18 0.27 0.02 0.00 0.04 0.00 0.00 55.36 55.51 3f7u s GLN 92 Cb 0.06 0.41 -0.03 0.00 0.03 0.00 0.00 33.01 33.48 3f7u s GLN 92 CO 0.27 -0.26 -0.11 -1.17 -2.54 0.00 0.00 175.29 171.48 3f7u s LEU 93 N -1.03 2.90 0.34 2.60 0.20 -0.26 -0.82 118.68 122.61 3f7u s LEU 93 Ca -0.07 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.60 3f7u s LEU 93 Cb -0.01 -1.61 -0.00 0.00 -0.43 0.00 0.00 46.19 44.14 3f7u s LEU 93 CO 0.06 0.33 0.44 -1.38 -0.29 0.00 0.00 176.35 175.52 3f7u s HIS 94 N -0.65 1.17 0.08 5.38 -3.43 -0.55 -0.64 115.29 116.66 3f7u s HIS 94 Ca 0.10 -1.35 0.01 0.00 -0.80 0.00 0.00 55.06 53.02 3f7u s HIS 94 Cb -0.11 -0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 30.82 3f7u s HIS 94 CO 0.01 -1.09 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.09 3f7u s LEU 95 N -3.26 2.46 -0.03 5.38 1.02 -1.23 -1.40 118.68 121.63 3f7u s LEU 95 Ca 0.32 -0.92 0.05 0.00 0.02 0.00 0.00 54.13 53.60 3f7u s LEU 95 Cb 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 46.19 46.15 3f7u s LEU 95 CO 0.21 -0.44 -0.18 -1.00 0.02 0.00 0.00 176.35 174.97 3f7u s HIS 96 N -3.26 1.67 0.34 0.29 3.76 -0.36 -4.60 115.29 113.13 3f7u s HIS 96 Ca 0.07 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.49 3f7u s HIS 96 Cb 0.03 -1.10 0.02 0.00 1.11 0.00 0.00 32.58 32.64 3f7u s HIS 96 CO -0.04 -0.09 0.60 1.67 -0.85 0.00 0.00 174.74 176.03 3f7u s TRP 97 N -0.24 0.51 0.00 1.40 -2.14 -1.21 -1.15 118.94 116.11 3f7u s TRP 97 Ca 0.03 -0.94 0.00 0.00 2.66 0.00 0.00 56.10 57.85 3f7u s TRP 97 Cb -0.09 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.63 3f7u s TRP 97 CO 0.00 -1.27 0.00 0.45 -2.66 0.00 0.00 176.95 173.48 3f7u n SER 98 N -1.14 0.05 -0.56 -2.66 2.88 -1.11 -0.75 113.62 110.33 3f7u n SER 98 Ca -0.03 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.54 3f7u n SER 98 Cb 0.61 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.81 -4.09 -3.46 5.75 -1.26 -4.80 116.55 109.50 3f7u n ASP 99 Ca 0.00 -2.38 -0.18 0.00 -0.01 0.00 0.00 54.79 52.22 3f7u n ASP 99 Cb 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.89 2.15 0.50 -2.12 1.43 -1.26 -5.04 118.68 113.45 3f7u s LEU 100 Ca 0.15 -0.40 0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3f7u s LEU 100 Cb 0.15 -0.45 1.18 0.00 0.03 0.00 0.00 46.19 47.10 3f7u s LEU 100 CO -0.02 -0.01 2.12 1.55 0.23 0.00 0.00 176.35 180.22 3f7u h PRO 101 N 5.07 0.08 -0.63 1.29 0.13 -1.94 -3.01 132.00 132.99 3f7u h PRO 101 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3f7u h PRO 101 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3f7u h PRO 101 CO 0.44 0.08 0.00 2.48 -0.23 0.00 0.00 178.00 180.77 3f7u n TYR 102 N -4.51 1.14 -2.33 1.56 4.11 -1.26 -3.53 117.16 112.34 3f7u n TYR 102 Ca -0.02 -0.48 -0.01 0.00 -0.00 0.00 0.00 57.90 57.39 3f7u n TYR 102 Cb 0.10 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.34 39.28 3f7u n TYR 102 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3f7u n LYS 103 N 1.02 0.19 0.00 -3.48 4.81 -1.14 -4.35 118.16 115.21 3f7u n LYS 103 Ca 0.21 -1.66 0.00 0.00 -0.87 0.00 0.00 58.31 55.99 3f7u n LYS 103 Cb 0.70 0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.86 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 0.12 -0.16 3.88 3.14 0.00 0.20 -4.45 105.19 107.92 3f7u n GLY 104 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.00 6.15 -0.12 1.61 1.04 -0.10 -3.35 113.70 118.94 3f7u s SER 105 Ca 0.00 1.34 -0.21 0.00 0.48 0.00 0.00 55.95 57.56 3f7u s SER 105 Cb 0.00 -2.39 -0.27 0.00 0.10 0.00 0.00 66.02 63.46 3f7u s SER 105 CO 0.00 -0.89 0.63 -0.33 0.98 0.00 0.00 173.24 173.63 3f7u h GLU 106 N -0.30 0.16 -7.15 4.02 5.08 -1.90 -3.46 114.58 111.03 3f7u h GLU 106 Ca -0.44 -0.28 -0.50 0.00 -1.00 0.00 0.00 59.36 57.14 3f7u h GLU 106 Cb 1.20 0.10 0.04 0.00 0.50 0.00 0.00 28.75 30.59 3f7u h GLU 106 CO 0.62 1.13 0.30 -1.01 -1.00 0.00 0.00 179.01 179.05 3f7u s HIS 107 N -2.39 3.56 0.12 4.33 3.76 -1.26 -4.51 115.29 118.89 3f7u s HIS 107 Ca -0.20 1.18 0.06 0.00 -0.15 0.00 0.00 55.06 55.96 3f7u s HIS 107 Cb 0.02 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 3f7u s HIS 107 CO 0.74 -0.45 -0.15 -1.54 -0.85 0.00 0.00 174.74 172.49 3f7u s SER 108 N -3.79 2.09 -0.27 1.40 1.04 -1.15 -4.60 113.70 108.42 3f7u s SER 108 Ca 0.53 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 3f7u s SER 108 Cb -0.11 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.96 3f7u s SER 108 CO 0.44 -0.11 -0.02 -0.76 0.98 0.00 0.00 173.24 173.78 3f7u s LEU 109 N -2.35 3.47 -1.57 2.42 1.43 -0.53 -1.10 118.68 120.46 3f7u s LEU 109 Ca 0.08 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 3f7u s LEU 109 Cb -0.06 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 44.54 3f7u s LEU 109 CO 0.03 -0.17 0.86 0.47 0.23 0.00 0.00 176.35 177.78 3f7u n ASP 110 N 4.71 -3.74 0.00 2.29 8.00 0.50 -0.74 116.55 127.56 3f7u n ASP 110 Ca -0.15 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3f7u n ASP 110 Cb 0.47 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 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 -1.60 2.07 3.71 0.44 0.00 -1.26 -5.03 105.19 103.51 3f7u n GLY 111 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.27 4.34 0.27 1.61 2.02 0.08 -5.01 118.70 121.74 3f7u s GLU 112 Ca 0.00 0.59 -0.07 0.00 0.02 0.00 0.00 54.97 55.51 3f7u s GLU 112 Cb 0.00 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.70 3f7u s GLU 112 CO 0.00 0.06 0.56 -1.01 0.02 0.00 0.00 175.26 174.89 3f7u s HIS 113 N 0.90 3.46 0.43 1.61 3.76 -1.26 -1.45 115.29 122.74 3f7u s HIS 113 Ca 0.30 0.76 0.08 0.00 -0.15 0.00 0.00 55.06 56.05 3f7u s HIS 113 Cb -0.16 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.35 3f7u s HIS 113 CO 0.13 0.20 0.58 -0.06 -0.85 0.00 0.00 174.74 174.73 3f7u s PHE 114 N -1.99 2.76 -0.05 1.40 0.40 -1.26 -4.45 117.98 114.79 3f7u s PHE 114 Ca 0.46 -0.40 0.18 0.00 -0.60 0.00 0.00 56.93 56.57 3f7u s PHE 114 Cb -0.11 -2.38 0.39 0.00 0.51 0.00 0.00 43.02 41.43 3f7u s PHE 114 CO 0.26 -0.45 1.60 0.00 0.70 0.00 0.00 175.22 177.33 3f7u h ALA 115 N 0.61 0.83 -2.74 5.36 0.00 -1.03 0.63 119.26 122.93 3f7u h ALA 115 Ca -0.40 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 3f7u h ALA 115 Cb 1.28 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 3f7u h ALA 115 CO 0.45 0.48 -0.32 -1.64 0.00 0.00 0.00 179.25 178.21 3f7u s MET 116 N -3.25 1.41 -0.02 0.00 -1.94 -1.10 -2.75 119.30 111.66 3f7u s MET 116 Ca 0.03 -1.42 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 3f7u s MET 116 Cb 0.09 0.39 0.02 0.00 2.01 0.00 0.00 34.83 37.33 3f7u s MET 116 CO 0.70 -0.54 0.01 -2.00 -0.01 0.00 0.00 175.02 173.18 3f7u s GLU 117 N -4.06 0.14 -0.21 2.03 2.12 -0.30 -0.66 118.70 117.77 3f7u s GLU 117 Ca 0.29 0.08 -0.09 0.00 0.36 0.00 0.00 54.97 55.61 3f7u s GLU 117 Cb 0.02 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 3f7u s GLU 117 CO 0.10 -0.10 0.11 1.41 -0.54 0.00 0.00 175.26 176.25 3f7u s MET 118 N 0.75 4.07 -0.19 4.30 -2.45 0.77 -1.22 119.30 125.32 3f7u s MET 118 Ca -0.07 -0.28 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 3f7u s MET 118 Cb -0.10 -3.37 -0.01 0.00 1.25 0.00 0.00 34.83 32.60 3f7u s MET 118 CO -0.02 0.22 -0.09 -1.01 1.05 0.00 0.00 175.02 175.17 3f7u s HIS 119 N 0.57 2.89 -0.37 4.11 3.76 -0.49 -0.20 115.29 125.57 3f7u s HIS 119 Ca 0.06 -0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 53.94 3f7u s HIS 119 Cb -0.12 -2.00 0.04 0.00 1.11 0.00 0.00 32.58 31.60 3f7u s HIS 119 CO 0.00 -0.48 0.18 0.42 -0.85 0.00 0.00 174.74 174.01 3f7u s ILE 120 N 1.11 4.27 -0.22 0.60 1.01 0.21 -1.48 121.20 126.71 3f7u s ILE 120 Ca 0.01 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 3f7u s ILE 120 Cb -0.14 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3f7u s ILE 120 CO -0.02 -0.24 0.52 -0.69 0.00 0.00 0.00 174.94 174.51 3f7u s VAL 121 N 1.49 5.09 0.25 2.92 1.01 -0.00 -1.14 120.40 130.03 3f7u s VAL 121 Ca 0.01 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.03 3f7u s VAL 121 Cb -0.20 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3f7u s VAL 121 CO 0.05 0.15 -0.15 -1.00 0.00 0.00 0.00 175.10 174.15 3f7u s HIS 122 N 1.83 2.01 -0.02 5.22 3.76 0.62 -0.46 115.29 128.25 3f7u s HIS 122 Ca 0.23 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 3f7u s HIS 122 Cb -0.15 -0.95 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 3f7u s HIS 122 CO 0.09 0.50 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.39 3f7u s GLU 123 N -3.60 0.93 0.06 1.40 2.12 0.42 -1.91 118.70 118.11 3f7u s GLU 123 Ca 0.27 -0.36 -0.37 0.00 0.36 0.00 0.00 54.97 54.87 3f7u s GLU 123 Cb -0.02 -0.88 -0.16 0.00 0.26 0.00 0.00 34.13 33.33 3f7u s GLU 123 CO 0.11 0.19 1.39 1.63 -0.54 0.00 0.00 175.26 178.04 3f7u n LYS 124 N 3.01 1.21 -2.25 4.30 5.02 0.00 -1.04 118.16 128.41 3f7u n LYS 124 Ca -0.15 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.16 3f7u n LYS 124 Cb 0.55 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3f7u n LYS 124 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3f7u s GLU 125 N 0.80 4.39 -0.21 1.97 2.02 -0.63 -4.84 118.70 122.20 3f7u s GLU 125 Ca 0.85 2.00 -0.28 0.00 0.02 0.00 0.00 54.97 57.57 3f7u s GLU 125 Cb -0.95 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.00 3f7u s GLU 125 CO 0.48 -0.28 2.15 0.15 0.02 0.00 0.00 175.26 177.77 3f7u s LYS 126 N 0.34 3.23 0.00 1.61 1.02 -1.26 -4.94 119.74 119.74 3f7u s LYS 126 Ca 0.59 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.57 3f7u s LYS 126 Cb -0.35 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 3f7u s LYS 126 CO 0.35 -1.99 0.00 -0.35 -0.92 0.00 0.00 175.35 172.44 3f7u n PRO 137 N 8.62 0.00 0.22 -1.68 -0.05 -1.26 -5.18 135.00 135.68 3f7u n PRO 137 Ca 0.28 0.00 0.15 0.00 -0.05 0.00 0.00 63.50 63.88 3f7u n PRO 137 Cb 0.45 0.00 0.50 0.00 -0.05 0.00 0.00 33.50 34.39 3f7u n PRO 137 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3f7u h GLU 138 N 0.00 0.00 0.00 0.54 5.08 -1.85 -3.32 114.58 115.03 3f7u h GLU 138 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3f7u h GLU 138 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3f7u h GLU 138 CO 0.00 0.00 -0.50 -0.40 -1.00 0.00 0.00 179.01 177.11 3f7u n ASP 139 N -2.87 0.69 -0.12 1.42 3.85 -1.23 -2.23 116.55 116.06 3f7u n ASP 139 Ca 0.02 -2.30 0.23 0.00 -0.71 0.00 0.00 54.79 52.03 3f7u n ASP 139 Cb 0.36 -0.28 0.66 0.00 -1.35 0.00 0.00 41.12 40.52 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 0.22 0.09 -5.30 0.11 4.81 -1.59 -3.42 114.58 109.50 3f7u h GLU 140 Ca -0.04 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.51 3f7u h GLU 140 Cb 1.39 -0.02 -0.32 0.00 0.63 0.00 0.00 28.75 30.43 3f7u h GLU 140 CO 0.02 0.06 -0.86 0.42 -0.73 0.00 0.00 179.01 177.92 3f7u s ILE 141 N -5.09 2.21 -0.27 2.32 1.09 -0.50 -0.82 121.20 120.15 3f7u s ILE 141 Ca -0.06 -0.95 -0.06 0.00 -1.10 0.00 0.00 60.65 58.47 3f7u s ILE 141 Cb 0.21 -1.87 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3f7u s ILE 141 CO 0.76 0.55 0.06 0.00 -0.10 0.00 0.00 174.94 176.20 3f7u s ALA 142 N 0.47 3.05 -0.14 9.38 0.00 -0.80 -0.16 121.76 133.57 3f7u s ALA 142 Ca -0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3f7u s ALA 142 Cb -0.17 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 3f7u s ALA 142 CO 0.06 -0.70 -0.04 0.08 0.00 0.00 0.00 175.76 175.16 3f7u s VAL 143 N 1.53 3.91 -0.25 0.00 1.01 -0.86 -0.28 120.40 125.46 3f7u s VAL 143 Ca 0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 3f7u s VAL 143 Cb -0.16 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3f7u s VAL 143 CO 0.02 0.52 0.16 -0.76 0.00 0.00 0.00 175.10 175.04 3f7u s LEU 144 N 0.09 4.05 -0.20 3.92 1.43 -0.29 -1.78 118.68 125.91 3f7u s LEU 144 Ca -0.01 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3f7u s LEU 144 Cb -0.13 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3f7u s LEU 144 CO 0.03 0.04 -0.02 0.00 0.23 0.00 0.00 176.35 176.62 3f7u s ALA 145 N 1.24 2.92 -0.08 4.21 0.00 0.01 -0.62 121.76 129.44 3f7u s ALA 145 Ca 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3f7u s ALA 145 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 3f7u s ALA 145 CO 0.06 -0.20 -0.16 -0.06 0.00 0.00 0.00 175.76 175.39 3f7u s PHE 146 N 1.10 2.68 0.24 0.00 0.40 0.72 -1.45 117.98 121.66 3f7u s PHE 146 Ca 0.02 -0.49 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 3f7u s PHE 146 Cb -0.15 -1.71 -0.09 0.00 0.51 0.00 0.00 43.02 41.59 3f7u s PHE 146 CO 0.01 -0.07 0.76 -0.51 0.70 0.00 0.00 175.22 176.11 3f7u s LEU 147 N -0.17 4.34 -0.08 -0.37 1.43 -1.26 -0.16 118.68 122.40 3f7u s LEU 147 Ca -0.01 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3f7u s LEU 147 Cb -0.13 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3f7u s LEU 147 CO 0.03 0.02 -0.22 -0.69 0.23 0.00 0.00 176.35 175.72 3f7u s VAL 148 N -1.54 1.87 0.22 -1.59 1.01 0.17 -0.21 120.40 120.33 3f7u s VAL 148 Ca 0.44 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3f7u s VAL 148 Cb -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3f7u s VAL 148 CO 0.21 0.52 -0.04 -1.83 0.00 0.00 0.00 175.10 173.96 3f7u s GLU 149 N 0.30 1.33 0.31 2.72 -1.05 0.59 -0.84 118.70 122.06 3f7u s GLU 149 Ca -0.15 -1.65 -0.29 0.00 -0.15 0.00 0.00 54.97 52.73 3f7u s GLU 149 Cb -0.17 -0.77 -0.12 0.00 -0.44 0.00 0.00 34.13 32.63 3f7u s GLU 149 CO 0.07 -0.01 1.49 0.00 0.95 0.00 0.00 175.26 177.76 3f7u n ALA 150 N -0.41 2.07 -2.25 -0.84 0.00 -1.26 -1.61 120.51 116.22 3f7u n ALA 150 Ca -0.06 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 3f7u n ALA 150 Cb 0.63 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 3f7u n ALA 150 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f7u s GLY 151 N 0.20 1.30 0.29 0.00 0.00 0.88 -4.73 107.32 105.26 3f7u s GLY 151 Ca 0.61 -1.63 0.16 0.00 0.00 0.00 0.00 44.72 43.85 3f7u s GLY 151 CO 0.54 -1.53 1.49 -0.91 0.00 0.00 0.00 173.10 172.70 3f7u h THR 151 N 2.65 0.88 -3.32 0.90 1.35 -1.98 -3.31 112.91 110.07 3f7u h THR 151 Ca -0.37 -2.12 -0.57 0.00 -0.55 0.00 0.00 66.41 62.80 3f7u h THR 151 Cb 1.21 2.35 -0.05 0.00 -1.73 0.00 0.00 68.15 69.93 3f7u h THR 151 CO 0.62 0.48 0.01 -1.58 -0.25 0.00 0.00 175.52 174.79 3f7u s GLN 152 N -3.06 4.35 0.03 4.72 0.74 -1.26 -4.88 119.66 120.29 3f7u s GLN 152 Ca 0.03 0.76 -0.31 0.00 0.05 0.00 0.00 55.36 55.89 3f7u s GLN 152 Cb 0.08 -3.36 -0.10 0.00 1.10 0.00 0.00 33.01 30.73 3f7u s GLN 152 CO 0.74 0.32 1.92 0.28 -0.55 0.00 0.00 175.29 177.99 3f7u n VAL 153 N 2.89 0.63 -2.37 1.34 0.31 -1.26 -3.26 118.33 116.62 3f7u n VAL 153 Ca -0.06 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.75 3f7u n VAL 153 Cb 0.51 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.25 3f7u n VAL 153 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3f7u s ASN 154 N 3.95 6.00 0.24 4.52 3.84 -1.26 -4.85 114.94 127.38 3f7u s ASN 154 Ca 0.88 0.15 0.04 0.00 0.21 0.00 0.00 52.86 54.15 3f7u s ASN 154 Cb -0.51 -2.55 0.27 0.00 -0.55 0.00 0.00 41.25 37.92 3f7u s ASN 154 CO 0.43 -1.84 1.58 -0.33 -2.79 0.00 0.00 177.10 174.15 3f7u h GLU 155 N 11.47 0.25 -0.95 0.43 4.39 -1.94 -2.24 114.58 125.99 3f7u h GLU 155 Ca -0.27 -0.16 0.16 0.00 0.34 0.00 0.00 59.36 59.42 3f7u h GLU 155 Cb 1.09 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.68 3f7u h GLU 155 CO 1.20 0.75 0.60 0.78 -1.16 0.00 0.00 179.01 181.19 3f7u h GLY 156 N 1.42 1.40 2.00 -3.84 0.00 -1.89 -1.09 103.07 101.08 3f7u h GLY 156 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3f7u h GLY 156 CO 0.09 0.06 0.00 0.69 0.00 0.00 0.00 176.54 177.38 3f7u n PHE 157 N -4.61 0.79 -0.25 5.60 3.01 -0.86 -4.37 117.46 116.77 3f7u n PHE 157 Ca 0.19 0.23 0.03 0.00 1.01 0.00 0.00 57.45 58.92 3f7u n PHE 157 Cb 0.50 -0.88 0.16 0.00 -0.01 0.00 0.00 39.48 39.25 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 0.47 -0.95 -1.08 1.08 -1.01 -1.86 115.11 111.75 3f7u h GLN 158 Ca 0.00 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 3f7u h GLN 158 Cb 0.69 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.96 3f7u h GLN 158 CO 0.00 0.31 0.62 -1.35 -0.95 0.00 0.00 178.83 177.46 3f7u h PRO 159 N 0.48 1.11 0.06 1.46 0.11 -1.77 0.43 132.00 133.88 3f7u h PRO 159 Ca 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3f7u h PRO 159 Cb 0.52 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3f7u h PRO 159 CO -0.35 0.74 -0.03 1.25 -0.21 0.00 0.00 178.00 179.40 3f7u h LEU 160 N 1.14 -0.07 -0.50 2.35 5.85 -1.74 -1.05 115.31 121.30 3f7u h LEU 160 Ca 0.40 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3f7u h LEU 160 Cb 0.11 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3f7u h LEU 160 CO -0.14 0.23 0.27 0.58 -0.34 0.00 0.00 178.44 179.03 3f7u h VAL 161 N -0.36 0.98 -0.84 1.05 2.07 -1.03 -1.51 116.25 116.61 3f7u h VAL 161 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3f7u h VAL 161 Cb 0.32 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3f7u h VAL 161 CO 0.01 0.10 0.49 -0.33 0.02 0.00 0.00 177.57 177.86 3f7u h GLU 162 N 0.52 1.15 0.00 1.57 5.08 -0.10 -2.60 114.58 120.21 3f7u h GLU 162 Ca 0.22 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3f7u h GLU 162 Cb 0.10 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3f7u h GLU 162 CO -0.14 0.82 -0.14 0.00 -1.00 0.00 0.00 179.01 178.54 3f7u h ALA 163 N 1.38 1.75 -0.84 3.43 0.00 -0.14 -3.13 119.26 121.71 3f7u h ALA 163 Ca 0.30 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.27 3f7u h ALA 163 Cb -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3f7u h ALA 163 CO -0.05 0.18 0.56 -0.07 0.00 0.00 0.00 179.25 179.87 3f7u h LEU 164 N 0.00 0.37 -0.99 0.00 3.38 -1.08 0.14 115.31 117.12 3f7u h LEU 164 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3f7u h LEU 164 Cb 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3f7u h LEU 164 CO 0.02 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 3f7u n SER 165 N -4.48 0.65 -0.00 -0.43 3.41 -1.18 -2.02 113.62 109.57 3f7u n SER 165 Ca 0.17 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 3f7u n SER 165 Cb 0.65 -0.83 0.16 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.27 0.63 -2.29 4.04 3.02 0.47 -4.36 115.26 114.49 3f7u n ASN 166 Ca 0.01 -0.44 -0.23 0.00 -0.03 0.00 0.00 54.58 53.89 3f7u n ASN 166 Cb 0.16 0.43 0.01 0.00 -0.61 0.00 0.00 39.78 39.77 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 -1.49 2.30 0.10 2.41 -5.35 -0.85 -4.76 119.36 111.72 3f7u n ILE 167 Ca 0.05 -4.36 0.05 0.00 -0.27 0.00 0.00 62.75 58.22 3f7u n ILE 167 Cb 0.33 -0.93 0.49 0.00 -1.74 0.00 0.00 39.64 37.79 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 2.41 0.32 -6.21 6.28 0.13 -1.76 -3.42 132.00 129.76 3f7u h PRO 168 Ca 0.28 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.85 3f7u h PRO 168 Cb 1.25 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3f7u h PRO 168 CO 0.74 0.25 -0.56 0.15 -0.23 0.00 0.00 178.00 178.35 3f7u s LYS 169 N -5.23 2.79 0.83 0.86 1.02 -1.26 -1.03 119.74 117.72 3f7u s LYS 169 Ca -0.07 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 3f7u s LYS 169 Cb 0.17 -2.52 0.10 0.00 -0.52 0.00 0.00 37.83 35.06 3f7u s LYS 169 CO 0.71 0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 175.50 3f7u s PRO 170 N -3.52 1.49 -1.06 -1.68 0.04 -1.26 -3.22 135.00 125.79 3f7u s PRO 170 Ca 0.32 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3f7u s PRO 170 Cb -0.08 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3f7u s PRO 170 CO 0.23 -2.31 0.00 0.39 0.04 0.00 0.00 177.00 175.35 3f7u n GLU 171 N -3.56 -0.76 -4.54 4.56 1.02 0.03 -4.91 120.64 112.48 3f7u n GLU 171 Ca 0.13 0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 57.78 3f7u n GLU 171 Cb 0.51 -4.78 -0.11 0.00 -0.02 0.00 0.00 31.44 27.04 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 -2.78 2.49 0.13 3.49 -1.94 -1.20 -5.00 119.30 114.49 3f7u s MET 172 Ca 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3f7u s MET 172 Cb 0.00 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 3f7u s MET 172 CO 0.00 0.60 0.01 0.45 -0.01 0.00 0.00 175.02 176.07 3f7u s SER 173 N -1.32 0.79 0.27 3.03 0.15 -1.26 -1.26 113.70 114.10 3f7u s SER 173 Ca 0.16 -1.14 -0.19 0.00 0.70 0.00 0.00 55.95 55.47 3f7u s SER 173 Cb -0.11 0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 3f7u s SER 173 CO 0.06 -0.62 0.67 0.28 1.20 0.00 0.00 173.24 174.83 3f7u s THR 174 N -3.83 0.00 -0.13 6.45 -1.32 -0.68 -4.88 115.64 111.26 3f7u s THR 174 Ca 0.20 -1.05 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 3f7u s THR 174 Cb 0.07 -2.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 3f7u s THR 174 CO 0.00 -0.00 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.45 3f7u s THR 175 N -3.93 3.57 0.42 5.08 2.01 -1.26 -1.59 115.64 119.93 3f7u s THR 175 Ca 0.13 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 3f7u s THR 175 Cb -0.05 -2.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 3f7u s THR 175 CO 0.07 0.53 0.84 -0.04 -0.69 0.00 0.00 174.62 175.32 3f7u s MET 176 N 0.08 3.91 0.64 4.92 -1.94 0.57 -4.97 119.30 122.52 3f7u s MET 176 Ca -0.02 0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 54.47 3f7u s MET 176 Cb -0.14 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 3f7u s MET 176 CO 0.03 -0.06 1.30 0.00 -0.01 0.00 0.00 175.02 176.29 3f7u n ALA 177 N -1.11 1.19 -0.88 3.03 0.00 -1.26 -4.06 120.51 117.42 3f7u n ALA 177 Ca 0.04 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 3f7u n ALA 177 Cb 0.54 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.84 0.00 -3.53 0.00 -0.58 -1.26 -4.70 120.64 108.73 3f7u n GLU 178 Ca 0.16 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.82 3f7u n GLU 178 Cb 0.48 -0.87 -0.02 0.00 -0.57 0.00 0.00 31.44 30.45 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 -0.02 -0.31 0.30 1.62 1.04 -0.64 -4.91 113.70 110.79 3f7u s SER 179 Ca 0.53 -0.01 0.09 0.00 0.48 0.00 0.00 55.95 57.04 3f7u s SER 179 Cb -0.74 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 3f7u s SER 179 CO 0.34 -0.54 0.09 -0.94 0.98 0.00 0.00 173.24 173.17 3f7u s SER 180 N -2.43 4.75 0.23 7.02 1.04 -1.26 -1.17 113.70 121.88 3f7u s SER 180 Ca 0.06 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 3f7u s SER 180 Cb -0.01 -0.87 0.22 0.00 0.10 0.00 0.00 66.02 65.46 3f7u s SER 180 CO -0.08 -0.14 1.73 -0.07 0.98 0.00 0.00 173.24 175.66 3f7u h LEU 181 N 1.67 0.92 -1.53 2.42 3.38 -1.64 -2.79 115.31 117.74 3f7u h LEU 181 Ca -0.45 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.35 3f7u h LEU 181 Cb 1.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3f7u h LEU 181 CO 0.62 0.95 0.37 -0.07 0.09 0.00 0.00 178.44 180.39 3f7u h LEU 182 N 0.90 0.52 -2.07 1.67 4.07 -1.34 0.75 115.31 119.82 3f7u h LEU 182 Ca 0.18 -0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.24 3f7u h LEU 182 Cb 0.44 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3f7u h LEU 182 CO 0.01 0.35 0.34 0.44 -1.08 0.00 0.00 178.44 178.50 3f7u h ASP 183 N 0.60 0.00 0.30 -0.43 3.32 -1.76 -0.18 116.42 118.28 3f7u h ASP 183 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3f7u h ASP 183 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3f7u h ASP 183 CO -0.06 0.00 -0.36 0.18 -1.72 0.00 0.00 179.24 177.28 3f7u n LEU 184 N -3.93 0.90 -4.62 1.55 4.77 0.25 -4.11 117.00 111.82 3f7u n LEU 184 Ca 0.06 -0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 3f7u n LEU 184 Cb 0.51 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3f7u n LEU 184 CO 0.30 0.18 -0.32 -0.76 -1.33 0.00 0.00 177.39 175.45 3f7u s LEU 185 N -2.67 2.97 0.82 2.23 1.43 -0.08 -4.98 118.68 118.41 3f7u s LEU 185 Ca 0.20 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3f7u s LEU 185 Cb 0.19 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 45.11 3f7u s LEU 185 CO 0.59 -0.17 1.15 -2.84 0.23 0.00 0.00 176.35 175.31 3f7u s PRO 186 N -3.69 1.66 0.00 1.29 0.02 -1.26 -4.98 135.00 128.04 3f7u s PRO 186 Ca 0.34 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.88 3f7u s PRO 186 Cb -0.02 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3f7u s PRO 186 CO 0.19 -2.15 0.00 1.63 -0.33 0.00 0.00 177.00 176.34 3f7u n LYS 187 N -3.59 3.08 0.00 5.54 5.02 -1.26 -4.88 118.16 122.06 3f7u n LYS 187 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3f7u n LYS 187 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 -0.05 1.97 0.00 -1.26 -3.57 120.64 117.74 3f7u n GLU 187 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 3f7u n GLU 187 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 31.44 31.86 3f7u n GLU 187 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3f7u n LYS 188 N 0.00 1.42 -0.51 3.44 5.02 -1.26 -3.87 118.16 122.39 3f7u n LYS 188 Ca 0.00 -0.63 0.10 0.00 -2.02 0.00 0.00 58.31 55.75 3f7u n LYS 188 Cb 0.00 -1.34 0.33 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.14 4.39 0.16 -0.35 4.77 -1.23 -4.44 117.00 120.15 3f7u n LEU 189 Ca 0.15 -2.34 0.03 0.00 -0.03 0.00 0.00 56.01 53.82 3f7u n LEU 189 Cb 0.21 -0.53 0.22 0.00 -2.33 0.00 0.00 43.42 40.99 3f7u n LEU 189 CO 0.11 0.84 0.56 0.03 -1.33 0.00 0.00 177.39 177.61 3f7u h ARG 189 N 3.84 0.00 -5.33 3.23 3.08 -1.93 -3.43 114.38 113.84 3f7u h ARG 189 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3f7u h ARG 189 Cb 1.29 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.21 3f7u h ARG 189 CO 0.16 0.50 -0.03 -1.01 -1.07 0.00 0.00 179.97 178.52 3f7u s HIS 190 N -3.43 3.25 0.05 3.04 3.76 -1.26 -4.81 115.29 115.90 3f7u s HIS 190 Ca 0.00 0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 55.39 3f7u s HIS 190 Cb 0.11 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 31.07 3f7u s HIS 190 CO 0.72 -0.31 0.20 1.52 -0.85 0.00 0.00 174.74 176.03 3f7u s TYR 191 N 2.31 0.07 0.14 1.40 -0.85 -1.26 -2.34 117.35 116.81 3f7u s TYR 191 Ca 0.21 -0.34 -0.02 0.00 -0.52 0.00 0.00 57.07 56.40 3f7u s TYR 191 Cb -0.16 -0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 3f7u s TYR 191 CO 0.10 -0.47 0.33 -0.06 -1.52 0.00 0.00 175.55 173.93 3f7u s PHE 192 N -2.93 3.49 -0.01 -3.49 0.08 -0.49 -1.33 117.98 113.30 3f7u s PHE 192 Ca -0.02 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.43 3f7u s PHE 192 Cb 0.01 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 3f7u s PHE 192 CO -0.06 0.47 0.00 0.50 -0.10 0.00 0.00 175.22 176.03 3f7u s ARG 193 N -2.81 0.03 0.24 0.44 6.06 0.84 0.10 118.95 123.86 3f7u s ARG 193 Ca 0.38 0.04 -0.21 0.00 -2.50 0.00 0.00 55.73 53.45 3f7u s ARG 193 Cb -0.12 -0.12 0.03 0.00 0.06 0.00 0.00 34.95 34.80 3f7u s ARG 193 CO 0.27 -0.04 0.66 1.52 -2.50 0.00 0.00 175.30 175.20 3f7u s TYR 194 N 0.32 -0.24 -0.08 5.12 1.13 -1.17 -1.08 117.35 121.36 3f7u s TYR 194 Ca -0.03 -0.14 -0.14 0.00 -1.41 0.00 0.00 57.07 55.36 3f7u s TYR 194 Cb -0.04 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.38 3f7u s TYR 194 CO -0.01 -1.10 0.33 -0.51 -2.51 0.00 0.00 175.55 171.76 3f7u s LEU 195 N -2.88 4.37 0.00 -3.49 1.43 -1.26 -0.86 118.68 115.99 3f7u s LEU 195 Ca 0.09 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3f7u s LEU 195 Cb -0.04 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3f7u s LEU 195 CO 0.01 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3f7u n GLY 196 N 2.49 3.23 3.42 -3.19 0.00 -0.13 -4.91 105.19 106.10 3f7u n GLY 196 Ca -0.14 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 2.31 0.64 1.61 1.04 -1.21 -2.24 113.70 117.84 3f7u s SER 197 Ca 0.00 -1.31 -0.17 0.00 0.48 0.00 0.00 55.95 54.95 3f7u s SER 197 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 3f7u s SER 197 CO 0.00 -0.54 1.16 -0.76 0.98 0.00 0.00 173.24 174.08 3f7u s LEU 198 N -3.44 3.50 -0.01 2.42 1.43 -0.79 -4.39 118.68 117.41 3f7u s LEU 198 Ca 0.34 2.20 0.21 0.00 -1.03 0.00 0.00 54.13 55.85 3f7u s LEU 198 Cb 0.07 -4.58 0.61 0.00 0.03 0.00 0.00 46.19 42.32 3f7u s LEU 198 CO 0.13 -1.70 1.51 0.35 0.23 0.00 0.00 176.35 176.87 3f7u n THR 199 N -2.11 0.95 -4.08 5.49 -2.24 -1.26 -4.38 114.28 106.66 3f7u n THR 199 Ca 0.12 -0.92 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 3f7u n THR 199 Cb 0.51 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.13 0.55 0.28 4.28 -4.23 -1.26 -4.67 115.64 109.47 3f7u s THR 200 Ca 0.46 -1.21 -0.29 0.00 -1.18 0.00 0.00 61.69 59.46 3f7u s THR 200 Cb 0.24 -0.77 -0.13 0.00 1.34 0.00 0.00 72.50 73.18 3f7u s THR 200 CO 0.31 -0.46 1.23 -2.65 -0.54 0.00 0.00 174.62 172.51 3f7u n PRO 201 N 1.23 1.79 -0.31 3.99 -0.02 -1.26 -1.19 135.00 139.23 3f7u n PRO 201 Ca -0.21 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3f7u n PRO 201 Cb 0.56 -2.17 0.24 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.88 0.86 -3.47 3.45 -2.24 -1.26 -4.99 114.28 107.50 3f7u n THR 202 Ca 0.09 -0.73 -0.21 0.00 -2.27 0.00 0.00 64.05 60.93 3f7u n THR 202 Cb 0.32 0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.88 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 -3.39 6.49 -1.29 0.00 1.01 -1.26 -4.38 116.67 113.85 3f7u s ASP 204 Ca 0.48 2.84 -0.12 0.00 0.71 0.00 0.00 52.55 56.45 3f7u s ASP 204 Cb -0.21 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.23 3f7u s ASP 204 CO 0.66 -0.83 1.79 -0.62 0.21 0.00 0.00 175.17 176.38 3f7u n GLU 205 N 2.22 3.41 -0.35 8.23 1.02 -1.26 -1.89 120.64 132.02 3f7u n GLU 205 Ca 0.07 -3.47 0.02 0.00 -0.02 0.00 0.00 57.16 53.76 3f7u n GLU 205 Cb 0.39 -3.06 0.03 0.00 -0.02 0.00 0.00 31.44 28.78 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 5.07 0.34 -4.59 3.49 2.85 -1.09 -4.50 118.16 119.73 3f7u n LYS 206 Ca 0.41 -1.28 -0.33 0.00 -1.05 0.00 0.00 58.31 56.06 3f7u n LYS 206 Cb 0.39 -0.71 -0.13 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.61 3.48 -0.30 0.58 1.01 -0.95 -1.41 120.40 122.21 3f7u s VAL 207 Ca 0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 3f7u s VAL 207 Cb 0.06 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3f7u s VAL 207 CO 0.01 0.51 0.61 0.54 0.00 0.00 0.00 175.10 176.77 3f7u s VAL 208 N 0.35 4.96 0.02 2.92 0.11 0.77 -0.96 120.40 128.57 3f7u s VAL 208 Ca -0.07 0.83 -0.14 0.00 -2.93 0.00 0.00 61.98 59.67 3f7u s VAL 208 Cb -0.15 -3.98 -0.06 0.00 -1.53 0.00 0.00 36.38 30.66 3f7u s VAL 208 CO 0.04 -0.12 0.41 0.26 -3.33 0.00 0.00 175.10 172.37 3f7u s TRP 209 N 2.56 3.70 -0.07 1.54 0.52 -0.04 -2.04 118.94 125.12 3f7u s TRP 209 Ca 0.24 0.96 0.03 0.00 0.02 0.00 0.00 56.10 57.35 3f7u s TRP 209 Cb -0.15 -2.27 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 3f7u s TRP 209 CO 0.11 0.62 -0.14 0.99 0.02 0.00 0.00 176.95 178.55 3f7u s THR 210 N -1.15 1.25 -0.18 2.01 2.01 -0.73 -3.02 115.64 115.82 3f7u s THR 210 Ca 0.26 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 3f7u s THR 210 Cb -0.16 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.24 3f7u s THR 210 CO 0.14 0.38 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 3f7u s VAL 211 N 0.58 2.41 0.11 3.82 1.01 0.11 -0.81 120.40 127.64 3f7u s VAL 211 Ca -0.14 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3f7u s VAL 211 Cb -0.16 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 3f7u s VAL 211 CO 0.04 0.51 1.06 -0.36 0.00 0.00 0.00 175.10 176.35 3f7u s PHE 212 N 1.26 3.64 0.33 5.22 0.40 -0.53 -1.40 117.98 126.91 3f7u s PHE 212 Ca 0.04 1.62 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 3f7u s PHE 212 Cb -0.14 -3.21 0.56 0.00 0.51 0.00 0.00 43.02 40.75 3f7u s PHE 212 CO -0.09 -0.38 1.91 -0.09 0.70 0.00 0.00 175.22 177.26 3f7u h ARG 213 N 5.80 0.71 -5.79 0.44 2.43 -1.81 -3.41 114.38 112.74 3f7u h ARG 213 Ca -0.43 -0.11 -0.58 0.00 -0.81 0.00 0.00 59.98 58.05 3f7u h ARG 213 Cb 1.21 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 3f7u h ARG 213 CO 0.74 0.60 0.17 -1.21 -1.51 0.00 0.00 179.97 178.76 3f7u s GLU 214 N -5.28 4.28 0.45 0.20 0.41 -1.26 -5.01 118.70 112.49 3f7u s GLU 214 Ca -0.09 0.75 -0.07 0.00 -0.41 0.00 0.00 54.97 55.14 3f7u s GLU 214 Cb 0.16 -3.55 -0.05 0.00 -1.78 0.00 0.00 34.13 28.92 3f7u s GLU 214 CO 0.77 -0.19 0.79 -1.25 -0.49 0.00 0.00 175.26 174.89 3f7u s PRO 215 N 1.72 3.64 0.30 0.39 0.04 -1.26 -4.67 135.00 135.16 3f7u s PRO 215 Ca 0.32 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.44 3f7u s PRO 215 Cb -0.16 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 3f7u s PRO 215 CO 0.12 -0.15 0.91 0.42 0.04 0.00 0.00 177.00 178.34 3f7u s ILE 216 N -2.61 4.27 -0.16 0.56 1.01 0.70 -4.82 121.20 120.15 3f7u s ILE 216 Ca 0.49 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.85 3f7u s ILE 216 Cb -0.10 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3f7u s ILE 216 CO 0.40 0.16 -0.06 -1.10 0.00 0.00 0.00 174.94 174.35 3f7u s GLN 217 N -2.01 3.55 0.10 2.79 -0.21 -1.26 -0.30 119.66 122.32 3f7u s GLN 217 Ca 0.49 -0.58 0.08 0.00 0.02 0.00 0.00 55.36 55.37 3f7u s GLN 217 Cb -0.18 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 3f7u s GLN 217 CO 0.23 0.14 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.83 3f7u s LEU 218 N 0.60 2.29 0.29 2.90 1.02 -0.63 -4.60 118.68 120.56 3f7u s LEU 218 Ca -0.04 -0.68 -0.30 0.00 0.02 0.00 0.00 54.13 53.14 3f7u s LEU 218 Cb -0.15 -0.88 -0.12 0.00 0.02 0.00 0.00 46.19 45.06 3f7u s LEU 218 CO 0.03 0.06 1.43 1.57 0.02 0.00 0.00 176.35 179.46 3f7u n HIS 219 N 1.12 2.44 -0.36 0.29 -0.00 -1.20 -0.08 115.22 117.43 3f7u n HIS 219 Ca -0.19 0.42 0.26 0.00 -0.00 0.00 0.00 57.72 58.20 3f7u n HIS 219 Cb 0.54 -2.49 0.52 0.00 -0.00 0.00 0.00 29.99 28.55 3f7u n HIS 219 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3f7u h ARG 220 N 3.80 0.32 0.00 1.57 3.08 -1.92 -0.95 114.38 120.28 3f7u h ARG 220 Ca -0.46 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 3f7u h ARG 220 Cb 1.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3f7u h ARG 220 CO 0.72 0.21 -0.29 0.93 -1.07 0.00 0.00 179.97 180.47 3f7u h GLU 221 N 0.33 0.00 -0.46 0.04 5.08 -1.93 -0.59 114.58 117.06 3f7u h GLU 221 Ca 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.02 3f7u h GLU 221 Cb 1.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 3f7u h GLU 221 CO -0.41 0.26 0.18 1.96 -1.00 0.00 0.00 179.01 180.01 3f7u h GLN 222 N 0.00 0.68 0.16 2.33 4.20 -1.55 -1.40 115.11 119.53 3f7u h GLN 222 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3f7u h GLN 222 Cb 1.21 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3f7u h GLN 222 CO 0.03 0.62 -0.08 0.82 -0.67 0.00 0.00 178.83 179.56 3f7u h ILE 223 N 0.59 0.87 0.00 2.54 2.04 -1.15 -2.97 117.51 119.44 3f7u h ILE 223 Ca 0.15 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3f7u h ILE 223 Cb 0.19 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3f7u h ILE 223 CO -0.01 0.03 -0.01 -0.07 0.00 0.00 0.00 178.15 178.08 3f7u h LEU 224 N -0.27 0.00 -1.71 1.44 3.38 -1.10 -1.60 115.31 115.45 3f7u h LEU 224 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3f7u h LEU 224 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3f7u h LEU 224 CO 0.04 0.01 -0.12 0.00 0.09 0.00 0.00 178.44 178.46 3f7u h ALA 225 N 1.99 1.13 -0.12 1.53 0.00 -1.08 -1.04 119.26 121.68 3f7u h ALA 225 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3f7u h ALA 225 Cb 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3f7u h ALA 225 CO 0.00 0.15 -0.11 0.74 0.00 0.00 0.00 179.25 180.03 3f7u h PHE 226 N 0.00 0.33 0.00 0.00 -1.00 -1.41 -1.50 116.94 113.37 3f7u h PHE 226 Ca -0.00 -0.10 -0.11 0.00 2.81 0.00 0.00 57.97 60.57 3f7u h PHE 226 Cb 0.45 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 3f7u h PHE 226 CO 0.00 0.68 -0.51 0.66 -1.61 0.00 0.00 178.31 177.53 3f7u h SER 227 N -0.11 0.00 0.47 2.17 4.64 -1.60 -2.33 113.55 116.79 3f7u h SER 227 Ca 0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 3f7u h SER 227 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3f7u h SER 227 CO 0.03 0.51 -0.95 1.56 -0.87 0.00 0.00 176.83 177.11 3f7u h GLN 227 N 0.00 0.31 0.00 4.77 4.20 -1.15 -3.38 115.11 119.86 3f7u h GLN 227 Ca -0.01 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 3f7u h GLN 227 Cb 0.95 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3f7u h GLN 227 CO 0.07 1.06 -1.70 1.63 -0.67 0.00 0.00 178.83 179.21 3f7u n LYS 228 N -3.68 0.64 -4.17 1.46 5.02 -0.57 -5.01 118.16 111.85 3f7u n LYS 228 Ca -0.06 -0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 55.89 3f7u n LYS 228 Cb 0.85 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 34.15 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 -4.91 3.37 0.04 -0.35 1.43 -0.88 -4.37 118.68 113.00 3f7u s LEU 229 Ca -0.06 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3f7u s LEU 229 Cb 0.12 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3f7u s LEU 229 CO 0.86 0.13 -0.06 -0.31 0.23 0.00 0.00 176.35 177.20 3f7u s TYR 230 N -1.52 0.55 -0.18 0.29 1.51 -0.20 -1.50 117.35 116.30 3f7u s TYR 230 Ca 0.26 -0.53 0.25 0.00 -1.01 0.00 0.00 57.07 56.04 3f7u s TYR 230 Cb -0.10 -0.34 0.66 0.00 -0.11 0.00 0.00 41.96 42.07 3f7u s TYR 230 CO 0.18 -0.12 1.72 1.88 -1.11 0.00 0.00 175.55 178.10 3f7u h TYR 231 N 4.48 0.00 -3.96 2.71 0.05 -1.44 -3.39 116.97 115.42 3f7u h TYR 231 Ca -0.35 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.09 3f7u h TYR 231 Cb 1.20 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.72 3f7u h TYR 231 CO 0.65 0.10 -0.76 0.16 -1.05 0.00 0.00 178.16 177.26 3f7u s ASP 232 N -6.10 1.23 0.19 3.88 -4.77 -1.26 -4.57 116.67 105.25 3f7u s ASP 232 Ca 0.04 -0.53 -0.16 0.00 -3.30 0.00 0.00 52.55 48.60 3f7u s ASP 232 Cb 0.07 -0.02 0.15 0.00 -1.09 0.00 0.00 42.92 42.04 3f7u s ASP 232 CO 0.64 -0.11 1.64 0.11 0.70 0.00 0.00 175.17 178.15 3f7u h LYS 233 N 4.59 -0.03 0.00 2.11 1.57 -1.91 0.60 116.57 123.51 3f7u h LYS 233 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3f7u h LYS 233 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3f7u h LYS 233 CO 0.42 -0.02 0.06 0.39 -0.57 0.00 0.00 179.45 179.72 3f7u n GLU 236 N -5.38 0.00 -3.98 3.15 4.71 -1.26 -4.93 120.64 112.95 3f7u n GLU 236 Ca 0.04 0.45 -0.26 0.00 -0.01 0.00 0.00 57.16 57.38 3f7u n GLU 236 Cb 0.28 -1.56 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 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 -1.45 -3.26 -0.01 3.49 6.02 0.20 -4.88 117.38 117.50 3f7u n GLN 237 Ca -0.00 0.40 0.11 0.00 -0.01 0.00 0.00 57.00 57.49 3f7u n GLN 237 Cb 0.06 -4.57 -0.16 0.00 1.02 0.00 0.00 30.24 26.59 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 -4.41 0.00 -3.86 5.09 -2.24 -1.26 -4.88 114.28 102.73 3f7u n THR 238 Ca -0.27 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 60.84 3f7u n THR 238 Cb 0.67 0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.38 0.98 0.40 2.28 1.01 -1.26 -5.08 120.40 115.35 3f7u s VAL 239 Ca -0.04 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3f7u s VAL 239 Cb 0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 3f7u s VAL 239 CO 0.88 0.04 1.45 -0.44 0.00 0.00 0.00 175.10 177.04 3f7u s SER 240 N 1.68 6.23 -0.42 3.32 0.01 -1.26 -1.23 113.70 122.03 3f7u s SER 240 Ca -0.00 2.98 -0.29 0.00 1.31 0.00 0.00 55.95 59.95 3f7u s SER 240 Cb -0.16 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.43 3f7u s SER 240 CO -0.07 -0.94 1.30 -0.32 0.41 0.00 0.00 173.24 173.62 3f7u s MET 241 N -2.18 3.68 0.04 12.44 0.00 -0.56 -4.66 119.30 128.06 3f7u s MET 241 Ca 0.55 0.86 -0.28 0.00 0.00 0.00 0.00 55.69 56.82 3f7u s MET 241 Cb -0.45 -3.96 0.09 0.00 0.00 0.00 0.00 34.83 30.51 3f7u s MET 241 CO 0.60 -1.43 0.95 -1.59 0.00 0.00 0.00 175.02 173.55 3f7u s LYS 242 N 4.65 0.89 -1.47 4.11 -2.85 -1.26 -3.95 119.74 119.86 3f7u s LYS 242 Ca 0.56 -0.40 -0.11 0.00 -1.00 0.00 0.00 55.97 55.02 3f7u s LYS 242 Cb -0.12 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 36.07 3f7u s LYS 242 CO 0.31 -0.40 0.89 -0.25 0.10 0.00 0.00 175.35 176.00 3f7u n ASP 243 N -0.32 -5.24 -3.49 0.03 8.00 0.07 -4.86 116.55 110.74 3f7u n ASP 243 Ca -0.07 -0.59 -0.40 0.00 0.71 0.00 0.00 54.79 54.44 3f7u n ASP 243 Cb 0.61 -4.19 -0.01 0.00 -0.02 0.00 0.00 41.12 37.51 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 -2.74 7.42 -4.02 -2.24 6.94 -1.24 -4.67 115.26 114.72 3f7u n ASN 244 Ca 0.00 -2.88 -0.27 0.00 -0.02 0.00 0.00 54.58 51.41 3f7u n ASN 244 Cb 0.55 -1.49 -0.17 0.00 -2.36 0.00 0.00 39.78 36.31 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 0.89 1.31 0.15 3.53 1.01 -1.26 -4.57 120.40 121.46 3f7u s VAL 245 Ca 0.57 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 3f7u s VAL 245 Cb 0.17 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 3f7u s VAL 245 CO -0.07 0.40 1.36 -0.60 0.00 0.00 0.00 175.10 176.19 3f7u s ARG 246 N 1.04 4.35 0.84 2.72 3.52 -1.26 -4.86 118.95 125.30 3f7u s ARG 246 Ca -0.06 2.06 -0.13 0.00 -0.13 0.00 0.00 55.73 57.47 3f7u s ARG 246 Cb -0.15 -3.23 0.08 0.00 -1.56 0.00 0.00 34.95 30.09 3f7u s ARG 246 CO -0.02 -0.36 1.00 -0.35 -0.81 0.00 0.00 175.30 174.76 3f7u n PRO 247 N 3.43 0.01 -1.75 5.12 -0.04 -1.26 -4.74 135.00 135.77 3f7u n PRO 247 Ca 0.09 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 3f7u n PRO 247 Cb 0.43 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 3f7u n PRO 247 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3f7u n LEU 248 N -2.84 4.90 -4.68 1.53 4.77 -1.26 -4.53 117.00 114.89 3f7u n LEU 248 Ca 0.12 1.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.99 3f7u n LEU 248 Cb 0.51 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 3f7u n LEU 248 CO 0.49 -0.24 -0.28 -1.10 -1.33 0.00 0.00 177.39 174.93 3f7u s GLN 249 N -2.39 2.37 0.29 3.23 -1.52 -0.20 -4.99 119.66 116.45 3f7u s GLN 249 Ca 0.61 -1.42 -0.25 0.00 -1.95 0.00 0.00 55.36 52.35 3f7u s GLN 249 Cb -0.46 -2.20 -0.09 0.00 -0.22 0.00 0.00 33.01 30.04 3f7u s GLN 249 CO 0.58 0.30 0.88 -0.65 -0.25 0.00 0.00 175.29 176.15 3f7u s GLN 250 N -3.73 4.51 0.22 2.91 -1.52 -1.26 -4.58 119.66 116.20 3f7u s GLN 250 Ca 0.33 1.21 -0.07 0.00 -1.95 0.00 0.00 55.36 54.88 3f7u s GLN 250 Cb -0.05 -2.86 0.33 0.00 -0.22 0.00 0.00 33.01 30.20 3f7u s GLN 250 CO 0.21 0.33 1.78 1.25 -0.25 0.00 0.00 175.29 178.61 3f7u h LEU 251 N 3.33 0.47 0.00 2.90 5.85 -1.92 -3.43 115.31 122.50 3f7u h LEU 251 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3f7u h LEU 251 Cb 1.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3f7u h LEU 251 CO 0.65 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.63 3f7u n GLY 252 N -1.30 3.26 0.02 3.75 0.00 -1.26 -3.02 105.19 106.65 3f7u n GLY 252 Ca 0.11 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 13.91 0.05 -1.40 1.61 6.02 -1.26 -4.86 117.38 131.45 3f7u n GLN 253 Ca 0.00 0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 3f7u n GLN 253 Cb 0.00 -1.57 0.08 0.00 1.02 0.00 0.00 30.24 29.77 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 -3.04 2.31 0.17 -1.09 0.52 -1.17 -5.08 118.95 111.58 3f7u s ARG 254 Ca 0.11 0.96 0.09 0.00 -0.52 0.00 0.00 55.73 56.37 3f7u s ARG 254 Cb 0.15 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 3f7u s ARG 254 CO 0.48 -1.55 -0.18 0.95 0.02 0.00 0.00 175.30 175.02 3f7u s THR 255 N -2.99 1.86 -0.10 0.02 -4.23 -1.26 -5.00 115.64 103.93 3f7u s THR 255 Ca 0.60 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3f7u s THR 255 Cb -0.16 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 3f7u s THR 255 CO 0.56 -0.33 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.61 3f7u s VAL 256 N -2.12 4.29 0.41 2.29 1.01 -1.26 -4.72 120.40 120.30 3f7u s VAL 256 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3f7u s VAL 256 Cb -0.05 -2.81 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 3f7u s VAL 256 CO 0.07 0.59 0.03 0.27 0.00 0.00 0.00 175.10 176.06 3f7u s ILE 257 N -0.71 2.05 0.03 2.22 -4.36 -0.24 -3.18 121.20 117.01 3f7u s ILE 257 Ca 0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3f7u s ILE 257 Cb -0.12 -2.98 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 3f7u s ILE 257 CO 0.02 -0.01 -0.04 -1.59 0.24 0.00 0.00 174.94 173.57 3f7u s LYS 258 N -3.73 0.42 0.00 0.37 -2.85 -0.64 -0.11 119.74 113.20 3f7u s LYS 258 Ca 0.36 -0.80 0.24 0.00 -1.00 0.00 0.00 55.97 54.77 3f7u s LYS 258 Cb 0.09 0.08 1.46 0.00 -2.06 0.00 0.00 37.83 37.40 3f7u s LYS 258 CO 0.19 -0.05 1.82 -1.13 0.10 0.00 0.00 175.35 176.27