#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7b s TYR 7 N -3.96 3.52 0.19 0.00 2.02 -1.26 -3.84 117.35 114.02 3f7b s TYR 7 Ca 0.17 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.46 3f7b s TYR 7 Cb -0.02 -2.23 0.17 0.00 -0.40 0.00 0.00 41.96 39.48 3f7b s TYR 7 CO 0.06 -0.11 1.63 0.93 -1.57 0.00 0.00 175.55 176.49 3f7b h GLU 8 N 0.74 -0.04 -1.02 -0.62 5.08 -1.87 -0.83 114.58 116.02 3f7b h GLU 8 Ca -0.48 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.16 3f7b h GLU 8 Cb 1.20 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 3f7b h GLU 8 CO 0.63 -0.03 0.69 -0.24 -1.00 0.00 0.00 179.01 179.06 3f7b h VAL 9 N -0.04 0.53 0.00 3.13 3.04 -1.92 -2.75 116.25 118.24 3f7b h VAL 9 Ca 0.26 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 3f7b h VAL 9 Cb 0.44 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 3f7b h VAL 9 CO -0.58 0.04 -1.26 0.00 -1.01 0.00 0.00 177.57 174.77 3f7b n GLN 10 N -4.44 0.38 -0.30 4.17 10.64 -0.33 -3.33 117.38 124.18 3f7b n GLN 10 Ca 0.23 -0.04 -0.01 0.00 -1.83 0.00 0.00 57.00 55.35 3f7b n GLN 10 Cb 0.94 -1.59 0.12 0.00 -0.86 0.00 0.00 30.24 28.84 3f7b n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3f7b h ALA 11 N 2.40 1.10 -0.63 2.61 0.00 -1.40 -2.91 119.26 120.43 3f7b h ALA 11 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3f7b h ALA 11 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3f7b h ALA 11 CO 0.00 0.29 0.42 0.93 0.00 0.00 0.00 179.25 180.89 3f7b h GLU 11 N 0.97 0.49 0.05 0.00 5.08 -1.56 -3.50 114.58 116.12 3f7b h GLU 11 Ca 0.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3f7b h GLU 11 Cb 0.09 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3f7b h GLU 11 CO -0.14 0.32 -0.02 0.77 -1.00 0.00 0.00 179.01 178.94 3f7b h SER 11 N 0.50 -0.06 -0.78 1.42 0.02 -1.57 -3.53 113.55 109.56 3f7b h SER 11 Ca 0.29 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.61 3f7b h SER 11 Cb 0.46 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.91 3f7b h SER 11 CO -0.09 0.09 -0.47 -2.16 -1.14 0.00 0.00 176.83 173.06 3f7b s PRO 11 N -1.62 2.19 -0.01 3.45 0.05 -1.26 -5.07 135.00 132.73 3f7b s PRO 11 Ca -0.01 -2.17 -0.19 0.00 0.05 0.00 0.00 61.00 58.68 3f7b s PRO 11 Cb 0.00 -1.77 0.03 0.00 0.05 0.00 0.00 34.50 32.81 3f7b s PRO 11 CO 0.03 -0.35 0.40 0.00 0.05 0.00 0.00 177.00 177.14 3f7b s LEU 11 N -1.45 3.43 0.87 0.00 1.43 -1.26 -4.86 118.68 116.84 3f7b s LEU 11 Ca -0.11 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3f7b s LEU 11 Cb -0.03 -3.07 0.11 0.00 0.03 0.00 0.00 46.19 43.23 3f7b s LEU 11 CO 0.04 -1.53 1.09 0.68 0.23 0.00 0.00 176.35 176.87 3f7b s VAL 12 N 5.04 2.82 0.22 -1.59 -7.23 -1.26 -1.05 120.40 117.34 3f7b s VAL 12 Ca 0.41 0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 60.77 3f7b s VAL 12 Cb -0.08 -2.72 0.16 0.00 0.56 0.00 0.00 36.38 34.30 3f7b s VAL 12 CO 0.24 -0.35 1.78 -0.65 -0.31 0.00 0.00 175.10 175.81 3f7b h PRO 13 N -1.46 0.57 -0.09 4.82 0.11 -1.91 0.67 132.00 134.71 3f7b h PRO 13 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3f7b h PRO 13 Cb 1.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3f7b h PRO 13 CO 0.53 0.38 0.11 -0.39 -0.21 0.00 0.00 178.00 178.42 3f7b h VAL 14 N 0.59 0.43 -0.09 3.15 -1.51 -1.95 -0.11 116.25 116.75 3f7b h VAL 14 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 3f7b h VAL 14 Cb 0.32 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3f7b h VAL 14 CO -0.25 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.38 3f7b n LYS 15 N -3.71 2.19 -1.75 5.19 4.76 0.17 -5.01 118.16 119.99 3f7b n LYS 15 Ca -0.01 -1.74 -0.37 0.00 -2.87 0.00 0.00 58.31 53.32 3f7b n LYS 15 Cb 0.21 -1.47 0.06 0.00 -1.84 0.00 0.00 35.03 31.99 3f7b n LYS 15 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3f7b s TRP 16 N -1.91 2.14 0.00 2.13 0.51 -0.06 -4.86 118.94 116.89 3f7b s TRP 16 Ca 0.32 1.44 0.00 0.00 -2.12 0.00 0.00 56.10 55.74 3f7b s TRP 16 Cb 0.20 -3.74 0.00 0.00 -0.81 0.00 0.00 33.47 29.13 3f7b s TRP 16 CO 0.31 -2.94 0.00 0.41 -0.51 0.00 0.00 176.95 174.21 3f7b n GLY 20 N 0.85 1.18 7.00 0.98 0.00 -1.26 -4.55 105.19 109.38 3f7b n GLY 20 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3f7b n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 21 N 5.00 3.57 0.62 -0.02 0.00 -1.26 -1.14 105.19 111.96 3f7b n GLY 21 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3f7b n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f7b n ASN 22 N 4.81 1.83 0.00 1.61 3.02 -1.01 -4.54 115.26 120.99 3f7b n ASN 22 Ca 0.00 -1.80 0.08 0.00 -0.03 0.00 0.00 54.58 52.83 3f7b n ASN 22 Cb 0.00 -0.15 0.37 0.00 -0.61 0.00 0.00 39.78 39.39 3f7b n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f7b n GLN 24 N -1.38 1.40 0.00 0.00 1.13 -1.26 -4.98 117.38 112.28 3f7b n GLN 24 Ca 0.06 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.93 3f7b n GLN 24 Cb 0.15 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3f7b n GLN 24 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3f7b n LYS 25 N 0.50 0.44 -0.02 -1.09 5.02 -0.61 -5.01 118.16 117.39 3f7b n LYS 25 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 3f7b n LYS 25 Cb 0.36 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.39 3f7b n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f7b n ASP 26 N -1.44 1.69 -2.53 4.39 8.00 -1.26 -4.49 116.55 120.92 3f7b n ASP 26 Ca 0.00 -1.57 -0.27 0.00 0.71 0.00 0.00 54.79 53.65 3f7b n ASP 26 Cb 0.00 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3f7b n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f7b n ARG 27 N -0.12 3.40 -2.81 -1.24 1.74 -1.26 -4.80 116.66 111.57 3f7b n ARG 27 Ca 0.02 -4.50 -0.26 0.00 -0.77 0.00 0.00 57.85 52.33 3f7b n ARG 27 Cb 0.17 -2.25 -0.00 0.00 -1.02 0.00 0.00 32.46 29.36 3f7b n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f7b s GLN 28 N -3.55 3.50 0.20 5.56 -1.52 -1.26 -3.15 119.66 119.43 3f7b s GLN 28 Ca 0.48 0.05 0.09 0.00 -1.95 0.00 0.00 55.36 54.03 3f7b s GLN 28 Cb 0.39 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.69 3f7b s GLN 28 CO -0.19 -0.14 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.42 3f7b s SER 29 N -4.10 2.73 0.91 5.90 0.01 -1.26 -4.64 113.70 113.25 3f7b s SER 29 Ca 0.46 -0.96 -0.14 0.00 1.31 0.00 0.00 55.95 56.62 3f7b s SER 29 Cb -0.10 -0.16 0.16 0.00 0.21 0.00 0.00 66.02 66.12 3f7b s SER 29 CO 0.43 -0.09 1.26 -2.16 0.41 0.00 0.00 173.24 173.08 3f7b s PRO 30 N -3.28 1.09 0.17 12.44 0.04 -1.26 -4.58 135.00 139.62 3f7b s PRO 30 Ca 0.20 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.07 3f7b s PRO 30 Cb -0.03 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3f7b s PRO 30 CO 0.08 -2.15 0.05 0.96 0.04 0.00 0.00 177.00 175.98 3f7b s ILE 31 N -3.72 0.34 -0.02 0.56 -4.36 -1.26 -0.14 121.20 112.60 3f7b s ILE 31 Ca 0.69 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.96 3f7b s ILE 31 Cb -0.07 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 3f7b s ILE 31 CO 0.52 -0.35 0.46 0.21 0.24 0.00 0.00 174.94 176.01 3f7b s ASN 32 N -3.14 6.83 -0.34 4.36 2.47 -1.26 -2.90 114.94 120.96 3f7b s ASN 32 Ca 0.28 0.98 -0.09 0.00 0.42 0.00 0.00 52.86 54.44 3f7b s ASN 32 Cb 0.07 -2.28 0.02 0.00 -1.45 0.00 0.00 41.25 37.60 3f7b s ASN 32 CO 0.05 0.23 0.16 -0.63 -3.72 0.00 0.00 177.10 173.19 3f7b s ILE 33 N -0.62 4.42 -0.58 -5.21 1.01 0.11 -4.95 121.20 115.39 3f7b s ILE 33 Ca 0.25 -0.73 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 3f7b s ILE 33 Cb -0.17 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.95 3f7b s ILE 33 CO 0.14 -0.09 1.26 -0.69 0.00 0.00 0.00 174.94 175.55 3f7b s VAL 34 N 1.55 3.95 0.31 2.92 1.01 -1.26 0.21 120.40 129.08 3f7b s VAL 34 Ca 0.02 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3f7b s VAL 34 Cb -0.18 -4.65 0.14 0.00 0.00 0.00 0.00 36.38 31.69 3f7b s VAL 34 CO 0.06 -1.30 1.83 0.71 0.00 0.00 0.00 175.10 176.40 3f7b h THR 35 N 6.22 1.22 -0.00 3.92 1.35 -1.95 -1.98 112.91 121.68 3f7b h THR 35 Ca -0.26 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3f7b h THR 35 Cb 1.07 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3f7b h THR 35 CO 1.18 0.30 -0.03 0.35 -0.25 0.00 0.00 175.52 177.07 3f7b n THR 36 N -4.25 0.00 1.13 6.82 -2.24 -1.26 -2.73 114.28 111.75 3f7b n THR 36 Ca 0.02 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3f7b n THR 36 Cb 0.26 -0.43 0.19 0.00 -2.10 0.00 0.00 70.33 68.25 3f7b n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f7b n LYS 37 N -1.37 1.30 -2.88 -0.78 5.02 -0.75 -4.84 118.16 113.85 3f7b n LYS 37 Ca 0.10 -0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 55.01 3f7b n LYS 37 Cb 0.29 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3f7b n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7b s ALA 38 N -2.37 3.51 0.30 7.82 0.00 -1.10 -4.80 121.76 125.12 3f7b s ALA 38 Ca 0.24 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 3f7b s ALA 38 Cb 0.19 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 3f7b s ALA 38 CO 0.49 -1.28 1.11 0.15 0.00 0.00 0.00 175.76 176.23 3f7b s LYS 39 N 3.11 4.54 0.16 0.00 1.02 -1.23 -4.55 119.74 122.79 3f7b s LYS 39 Ca 0.35 1.81 -0.32 0.00 0.02 0.00 0.00 55.97 57.83 3f7b s LYS 39 Cb -0.14 -3.09 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 3f7b s LYS 39 CO 0.13 0.12 1.58 0.08 -0.92 0.00 0.00 175.35 176.34 3f7b s VAL 40 N -1.22 2.63 -0.18 3.17 1.01 -1.26 -0.75 120.40 123.80 3f7b s VAL 40 Ca 0.47 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3f7b s VAL 40 Cb -0.32 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3f7b s VAL 40 CO 0.41 0.03 -0.16 -0.62 0.00 0.00 0.00 175.10 174.76 3f7b s ASP 41 N 1.24 3.10 0.51 3.32 -1.08 -0.08 -4.89 116.67 118.80 3f7b s ASP 41 Ca 0.71 -0.68 0.30 0.00 -0.52 0.00 0.00 52.55 52.35 3f7b s ASP 41 Cb -0.44 -1.35 1.01 0.00 -1.46 0.00 0.00 42.92 40.69 3f7b s ASP 41 CO 0.31 -0.05 1.85 0.11 0.52 0.00 0.00 175.17 177.91 3f7b h LYS 42 N 7.97 0.00 -0.05 4.34 1.79 -1.95 -0.95 116.57 127.71 3f7b h LYS 42 Ca -0.39 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.10 3f7b h LYS 42 Cb 1.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3f7b h LYS 42 CO 0.57 0.01 0.17 0.87 -1.08 0.00 0.00 179.45 179.99 3f7b h LYS 43 N 0.00 0.00 -5.38 3.15 1.57 -1.95 -3.36 116.57 110.59 3f7b h LYS 43 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3f7b h LYS 43 Cb 0.69 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.86 3f7b h LYS 43 CO 0.00 0.00 1.35 -0.51 -0.57 0.00 0.00 179.45 179.72 3f7b s LEU 44 N -6.42 4.45 0.00 2.94 1.43 -0.36 -4.10 118.68 116.62 3f7b s LEU 44 Ca -0.04 -2.17 0.05 0.00 -1.03 0.00 0.00 54.13 50.93 3f7b s LEU 44 Cb 0.12 -2.47 0.12 0.00 0.03 0.00 0.00 46.19 43.98 3f7b s LEU 44 CO 0.40 -1.13 0.87 0.61 0.23 0.00 0.00 176.35 177.33 3f7b n GLY 45 N 5.53 1.31 3.64 -3.19 0.00 -1.26 -4.65 105.19 106.57 3f7b n GLY 45 Ca 0.33 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3f7b n GLY 45 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f7b n ARG 46 N -2.50 0.47 -2.98 1.61 1.85 -1.26 -2.05 116.66 111.79 3f7b n ARG 46 Ca 0.16 0.22 -0.34 0.00 -1.00 0.00 0.00 57.85 56.89 3f7b n ARG 46 Cb 0.57 -2.29 -0.06 0.00 -1.05 0.00 0.00 32.46 29.63 3f7b n ARG 46 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3f7b s PHE 47 N -1.86 3.45 -0.01 2.89 0.40 -1.26 -0.80 117.98 120.79 3f7b s PHE 47 Ca 0.74 1.45 0.05 0.00 -0.60 0.00 0.00 56.93 58.57 3f7b s PHE 47 Cb -0.33 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 3f7b s PHE 47 CO 0.50 0.10 -0.15 -0.06 0.70 0.00 0.00 175.22 176.30 3f7b s PHE 48 N -1.90 2.65 -0.11 0.36 0.08 0.42 -4.85 117.98 114.63 3f7b s PHE 48 Ca 0.54 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.41 3f7b s PHE 48 Cb -0.12 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3f7b s PHE 48 CO 0.18 0.22 -0.17 -0.06 -0.10 0.00 0.00 175.22 175.28 3f7b s PHE 49 N -0.82 2.71 0.03 0.36 0.08 -1.26 -0.86 117.98 118.21 3f7b s PHE 49 Ca 0.13 -0.75 0.05 0.00 0.12 0.00 0.00 56.93 56.48 3f7b s PHE 49 Cb -0.11 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3f7b s PHE 49 CO 0.03 -0.26 -0.15 -1.54 -0.10 0.00 0.00 175.22 173.20 3f7b s SER 50 N 0.26 1.81 0.00 1.36 1.04 0.20 -4.66 113.70 113.72 3f7b s SER 50 Ca -0.12 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3f7b s SER 50 Cb -0.16 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3f7b s SER 50 CO 0.06 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3f7b n GLY 50 N 2.04 1.98 0.13 7.32 0.00 -1.26 0.02 105.19 115.43 3f7b n GLY 50 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3f7b n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3f7b h TYR 51 N 0.00 0.00 0.00 1.61 -1.99 -1.85 -3.34 116.97 111.40 3f7b h TYR 51 Ca 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 3f7b h TYR 51 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 3f7b h TYR 51 CO 0.00 0.00 -1.97 -0.40 -0.00 0.00 0.00 178.16 175.79 3f7b n ASP 52 N -2.34 0.32 -4.77 3.88 5.75 -1.26 -1.26 116.55 116.87 3f7b n ASP 52 Ca 0.03 0.14 -0.40 0.00 -0.01 0.00 0.00 54.79 54.55 3f7b n ASP 52 Cb 0.33 0.88 -0.02 0.00 -1.03 0.00 0.00 41.12 41.28 3f7b n ASP 52 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3f7b s LYS 53 N -2.84 4.36 0.09 0.11 0.00 -1.25 -4.81 119.74 115.40 3f7b s LYS 53 Ca -0.07 2.08 -0.22 0.00 0.00 0.00 0.00 55.97 57.75 3f7b s LYS 53 Cb 0.09 -3.04 -0.07 0.00 0.00 0.00 0.00 37.83 34.81 3f7b s LYS 53 CO 0.84 -0.13 0.67 0.15 0.00 0.00 0.00 175.35 176.88 3f7b s LYS 54 N -1.80 4.38 0.11 1.78 -0.14 -1.26 -4.42 119.74 118.40 3f7b s LYS 54 Ca 0.49 0.92 -0.17 0.00 -1.36 0.00 0.00 55.97 55.85 3f7b s LYS 54 Cb -0.37 -3.28 0.04 0.00 -1.68 0.00 0.00 37.83 32.54 3f7b s LYS 54 CO 0.48 0.53 0.42 -1.14 -0.76 0.00 0.00 175.35 174.88 3f7b s GLN 55 N -0.85 1.06 -0.40 1.68 2.00 -0.85 -4.89 119.66 117.41 3f7b s GLN 55 Ca 0.33 -0.63 -0.12 0.00 -2.00 0.00 0.00 55.36 52.93 3f7b s GLN 55 Cb -0.21 0.47 0.03 0.00 0.80 0.00 0.00 33.01 34.10 3f7b s GLN 55 CO 0.22 -0.41 0.25 0.95 -0.50 0.00 0.00 175.29 175.80 3f7b s THR 56 N -3.58 4.77 0.11 -0.34 -4.23 -1.26 -1.43 115.64 109.69 3f7b s THR 56 Ca 0.01 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.57 3f7b s THR 56 Cb 0.01 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.09 3f7b s THR 56 CO -0.10 -0.31 0.39 0.26 -0.54 0.00 0.00 174.62 174.32 3f7b s TRP 57 N 1.58 3.53 0.08 3.99 0.52 -1.24 -4.81 118.94 122.60 3f7b s TRP 57 Ca 0.03 0.70 -0.28 0.00 0.02 0.00 0.00 56.10 56.56 3f7b s TRP 57 Cb -0.20 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 29.97 3f7b s TRP 57 CO 0.07 0.47 0.90 0.99 0.02 0.00 0.00 176.95 179.40 3f7b s THR 58 N -1.52 4.62 -0.02 2.01 2.01 -1.26 -0.51 115.64 120.97 3f7b s THR 58 Ca 0.37 1.92 0.06 0.00 0.31 0.00 0.00 61.69 64.35 3f7b s THR 58 Cb -0.13 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3f7b s THR 58 CO 0.21 0.31 -0.19 0.54 -0.69 0.00 0.00 174.62 174.80 3f7b s VAL 59 N 0.10 1.51 0.02 3.82 0.11 -0.15 -1.03 120.40 124.78 3f7b s VAL 59 Ca 0.45 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 3f7b s VAL 59 Cb -0.22 -1.26 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 3f7b s VAL 59 CO 0.27 0.43 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.81 3f7b s GLN 60 N -0.41 0.58 -0.27 1.54 0.74 0.14 -1.16 119.66 120.81 3f7b s GLN 60 Ca 0.06 -0.52 -0.24 0.00 0.05 0.00 0.00 55.36 54.72 3f7b s GLN 60 Cb -0.08 -0.49 -0.00 0.00 1.10 0.00 0.00 33.01 33.54 3f7b s GLN 60 CO -0.00 0.12 0.80 1.21 -0.55 0.00 0.00 175.29 176.86 3f7b s ASN 61 N -0.86 6.73 -0.19 6.67 3.84 -0.53 -0.53 114.94 130.07 3f7b s ASN 61 Ca -0.02 0.84 0.15 0.00 0.21 0.00 0.00 52.86 54.04 3f7b s ASN 61 Cb -0.06 -2.42 0.68 0.00 -0.55 0.00 0.00 41.25 38.90 3f7b s ASN 61 CO 0.00 -0.56 1.59 -0.46 -2.79 0.00 0.00 177.10 174.89 3f7b n ASN 62 N 6.09 4.79 0.00 -4.21 6.94 -0.58 0.23 115.26 128.52 3f7b n ASN 62 Ca 0.04 -2.86 0.00 0.00 -0.02 0.00 0.00 54.58 51.74 3f7b n ASN 62 Cb 0.48 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 3f7b n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f7b n GLY 63 N 0.24 2.76 0.00 4.83 0.00 -1.26 -4.75 105.19 107.01 3f7b n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3f7b n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f7b n HIS 64 N -2.00 0.00 -3.88 1.61 8.25 -1.26 -4.77 115.22 113.17 3f7b n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3f7b n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3f7b n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f7b n SER 65 N -0.99 -1.26 -4.42 0.41 2.88 -1.26 -4.84 113.62 104.14 3f7b n SER 65 Ca 0.00 -1.54 -0.33 0.00 -1.33 0.00 0.00 58.87 55.67 3f7b n SER 65 Cb 0.00 2.02 -0.14 0.00 -0.75 0.00 0.00 64.21 65.34 3f7b n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3f7b s VAL 66 N -2.11 3.04 -0.08 2.46 0.11 -1.26 -1.52 120.40 121.03 3f7b s VAL 66 Ca 0.21 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 3f7b s VAL 66 Cb -0.02 -2.23 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 3f7b s VAL 66 CO 0.03 0.56 -0.15 -0.32 -3.33 0.00 0.00 175.10 171.89 3f7b s MET 67 N -0.16 2.02 -0.21 1.54 0.00 0.30 -3.42 119.30 119.38 3f7b s MET 67 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 55.69 55.04 3f7b s MET 67 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 32.99 3f7b s MET 67 CO 0.03 0.02 0.28 0.00 0.00 0.00 0.00 175.02 175.36 3f7b s MET 68 N 0.72 4.14 -0.21 4.11 0.23 0.11 0.24 119.30 128.62 3f7b s MET 68 Ca -0.13 -0.02 -0.24 0.00 -1.03 0.00 0.00 55.69 54.27 3f7b s MET 68 Cb -0.16 -3.53 -0.01 0.00 -1.53 0.00 0.00 34.83 29.60 3f7b s MET 68 CO 0.03 0.04 0.78 -0.51 -2.03 0.00 0.00 175.02 173.32 3f7b s LEU 69 N 1.11 4.12 -0.00 0.18 1.43 -0.20 -1.08 118.68 124.24 3f7b s LEU 69 Ca 0.14 1.01 0.22 0.00 -1.03 0.00 0.00 54.13 54.47 3f7b s LEU 69 Cb -0.14 -3.12 -0.25 0.00 0.03 0.00 0.00 46.19 42.71 3f7b s LEU 69 CO 0.06 -0.42 0.69 0.18 0.23 0.00 0.00 176.35 177.08 3f7b n LEU 70 N 5.58 0.40 -3.69 1.79 4.77 -0.55 -4.43 117.00 120.87 3f7b n LEU 70 Ca 0.03 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3f7b n LEU 70 Cb 0.48 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3f7b n LEU 70 CO 0.47 0.08 0.17 -0.62 -1.33 0.00 0.00 177.39 176.15 3f7b n GLU 71 N -2.01 -6.88 -4.27 3.23 1.02 -1.21 -0.78 120.64 109.75 3f7b n GLU 71 Ca -0.01 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.51 3f7b n GLU 71 Cb 0.48 -5.71 -0.04 0.00 -0.02 0.00 0.00 31.44 26.15 3f7b n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f7b n ASN 72 N -2.97 -2.83 -0.72 1.62 3.02 -0.85 -4.85 115.26 107.68 3f7b n ASN 72 Ca -0.03 -1.06 0.13 0.00 -0.03 0.00 0.00 54.58 53.59 3f7b n ASN 72 Cb 0.57 -2.54 0.33 0.00 -0.61 0.00 0.00 39.78 37.53 3f7b n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3f7b n LYS 76 N -4.33 1.98 -3.70 3.52 5.02 0.04 -4.96 118.16 115.72 3f7b n LYS 76 Ca 0.06 -1.44 -0.10 0.00 -2.02 0.00 0.00 58.31 54.82 3f7b n LYS 76 Cb 0.50 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3f7b n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7b s ALA 77 N -1.92 -1.12 0.28 7.82 0.00 -1.26 -4.54 121.76 121.03 3f7b s ALA 77 Ca 0.34 -0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 3f7b s ALA 77 Cb 0.20 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.21 3f7b s ALA 77 CO 0.31 -0.85 0.71 -1.54 0.00 0.00 0.00 175.76 174.39 3f7b s SER 78 N -2.86 -0.23 0.03 0.00 1.04 0.10 -1.44 113.70 110.34 3f7b s SER 78 Ca 0.08 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 3f7b s SER 78 Cb -0.02 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 3f7b s SER 78 CO -0.03 -1.36 -0.00 0.27 0.98 0.00 0.00 173.24 173.10 3f7b s ILE 79 N -3.82 0.15 0.17 -1.02 -4.36 -0.88 -0.62 121.20 110.80 3f7b s ILE 79 Ca 0.12 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 3f7b s ILE 79 Cb -0.06 -0.74 -0.00 0.00 1.25 0.00 0.00 42.46 42.91 3f7b s ILE 79 CO 0.07 -0.66 0.21 -1.54 0.24 0.00 0.00 174.94 173.26 3f7b n SER 80 N 1.02 -0.58 0.00 4.36 3.41 -0.04 -1.07 113.62 120.71 3f7b n SER 80 Ca -0.20 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3f7b n SER 80 Cb 0.57 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 3f7b n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f7b n GLY 81 N -0.28 -1.06 2.49 5.00 0.00 -1.26 0.16 105.19 110.23 3f7b n GLY 81 Ca 0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 3f7b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 82 N 0.00 1.18 2.55 -0.02 0.00 0.02 -0.16 105.19 108.77 3f7b n GLY 82 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3f7b n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7b n GLY 83 N -0.96 0.36 3.77 -0.02 0.00 -1.26 -4.74 105.19 102.34 3f7b n GLY 83 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3f7b n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f7b s LEU 84 N 0.00 3.94 0.00 0.99 1.43 0.78 -4.96 118.68 120.86 3f7b s LEU 84 Ca 0.00 2.39 0.29 0.00 -1.03 0.00 0.00 54.13 55.78 3f7b s LEU 84 Cb 0.00 -4.29 1.53 0.00 0.03 0.00 0.00 46.19 43.46 3f7b s LEU 84 CO 0.00 -1.10 2.03 -0.81 0.23 0.00 0.00 176.35 176.69 3f7b n PRO 85 N -0.71 0.53 -3.64 1.29 -0.04 -1.26 -4.62 135.00 126.54 3f7b n PRO 85 Ca 0.09 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3f7b n PRO 85 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3f7b n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3f7b s ALA 86 N -2.44 -2.12 0.70 0.55 0.00 -1.26 -5.13 121.76 112.05 3f7b s ALA 86 Ca 0.31 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 3f7b s ALA 86 Cb 0.20 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.69 3f7b s ALA 86 CO 0.42 -1.00 1.07 -2.14 0.00 0.00 0.00 175.76 174.10 3f7b s PRO 87 N -2.58 2.91 -0.03 0.00 0.02 -1.26 -4.75 135.00 129.31 3f7b s PRO 87 Ca 0.13 0.75 0.01 0.00 0.02 0.00 0.00 61.00 61.92 3f7b s PRO 87 Cb 0.03 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.56 3f7b s PRO 87 CO -0.03 -1.07 -0.03 0.71 -0.33 0.00 0.00 177.00 176.25 3f7b s TYR 88 N -3.16 0.53 0.05 6.54 1.51 -0.23 -2.01 117.35 120.57 3f7b s TYR 88 Ca 0.58 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 56.41 3f7b s TYR 88 Cb -0.13 -0.46 -0.06 0.00 -0.11 0.00 0.00 41.96 41.20 3f7b s TYR 88 CO 0.54 -0.11 0.41 1.14 -1.11 0.00 0.00 175.55 176.43 3f7b s GLN 89 N 0.57 3.84 0.06 -0.62 -2.07 -0.21 -2.07 119.66 119.16 3f7b s GLN 89 Ca -0.07 0.30 -0.31 0.00 -1.82 0.00 0.00 55.36 53.47 3f7b s GLN 89 Cb -0.10 -3.09 -0.10 0.00 -1.09 0.00 0.00 33.01 28.63 3f7b s GLN 89 CO -0.00 0.61 1.92 0.00 -1.32 0.00 0.00 175.29 176.50 3f7b n ALA 90 N 1.30 1.77 -0.10 2.60 0.00 -0.52 -0.30 120.51 125.26 3f7b n ALA 90 Ca -0.10 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 3f7b n ALA 90 Cb 0.52 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 3f7b n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3f7b n LYS 91 N 6.75 0.50 -3.53 0.00 4.76 0.69 -2.01 118.16 125.32 3f7b n LYS 91 Ca 0.19 0.21 -0.11 0.00 -2.87 0.00 0.00 58.31 55.74 3f7b n LYS 91 Cb 0.39 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 3f7b n LYS 91 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3f7b s GLN 92 N -2.64 1.39 -0.03 1.97 -2.07 -1.06 -1.48 119.66 115.73 3f7b s GLN 92 Ca -0.31 -0.59 0.04 0.00 -1.82 0.00 0.00 55.36 52.68 3f7b s GLN 92 Cb 0.08 0.59 -0.00 0.00 -1.09 0.00 0.00 33.01 32.59 3f7b s GLN 92 CO 0.41 -0.62 -0.15 -1.17 -1.32 0.00 0.00 175.29 172.44 3f7b s LEU 93 N -2.79 1.91 0.34 2.60 0.20 -0.24 -0.33 118.68 120.38 3f7b s LEU 93 Ca 0.04 -0.31 -0.02 0.00 0.69 0.00 0.00 54.13 54.52 3f7b s LEU 93 Cb -0.02 -0.86 0.00 0.00 -0.43 0.00 0.00 46.19 44.88 3f7b s LEU 93 CO -0.08 0.14 0.47 -1.38 -0.29 0.00 0.00 176.35 175.22 3f7b s HIS 94 N -0.01 1.06 0.07 5.38 -3.43 -0.47 0.05 115.29 117.95 3f7b s HIS 94 Ca -0.02 -1.29 0.01 0.00 -0.80 0.00 0.00 55.06 52.96 3f7b s HIS 94 Cb -0.10 -0.09 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 3f7b s HIS 94 CO 0.01 -1.14 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.05 3f7b s LEU 95 N -3.24 2.41 0.09 5.38 1.02 -1.22 -0.92 118.68 122.21 3f7b s LEU 95 Ca 0.30 -0.83 0.09 0.00 0.02 0.00 0.00 54.13 53.71 3f7b s LEU 95 Cb -0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.13 3f7b s LEU 95 CO 0.20 -0.40 -0.24 -1.00 0.02 0.00 0.00 176.35 174.94 3f7b s HIS 96 N -2.84 2.07 0.09 0.29 3.76 -0.18 -4.53 115.29 113.95 3f7b s HIS 96 Ca 0.03 -0.40 -0.26 0.00 -0.15 0.00 0.00 55.06 54.28 3f7b s HIS 96 Cb -0.00 -1.17 0.09 0.00 1.11 0.00 0.00 32.58 32.61 3f7b s HIS 96 CO -0.04 0.21 1.13 1.67 -0.85 0.00 0.00 174.74 176.86 3f7b s TRP 97 N -0.98 -0.02 0.01 1.40 -2.14 -1.07 -0.35 118.94 115.80 3f7b s TRP 97 Ca 0.10 -0.24 0.00 0.00 2.66 0.00 0.00 56.10 58.63 3f7b s TRP 97 Cb -0.10 0.62 -0.00 0.00 -3.10 0.00 0.00 33.47 30.89 3f7b s TRP 97 CO 0.04 -0.62 0.01 0.45 -2.66 0.00 0.00 176.95 174.17 3f7b n SER 98 N -0.81 0.05 -0.50 -2.66 2.88 -1.11 -0.43 113.62 111.03 3f7b n SER 98 Ca -0.04 -1.08 0.08 0.00 -1.33 0.00 0.00 58.87 56.49 3f7b n SER 98 Cb 0.61 0.06 0.03 0.00 -0.75 0.00 0.00 64.21 64.16 3f7b n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3f7b n ASP 99 N -2.88 1.97 -4.60 -3.46 5.75 -1.26 -4.81 116.55 107.25 3f7b n ASP 99 Ca 0.00 -1.48 -0.33 0.00 -0.01 0.00 0.00 54.79 52.97 3f7b n ASP 99 Cb 0.02 0.23 -0.11 0.00 -1.03 0.00 0.00 41.12 40.23 3f7b n ASP 99 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3f7b s LEU 100 N -1.65 3.22 0.36 -2.12 1.43 -1.26 -5.02 118.68 113.65 3f7b s LEU 100 Ca 0.16 -0.06 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 3f7b s LEU 100 Cb 0.13 -1.78 1.27 0.00 0.03 0.00 0.00 46.19 45.84 3f7b s LEU 100 CO 0.29 0.32 1.80 1.55 0.23 0.00 0.00 176.35 180.54 3f7b h PRO 101 N 4.86 0.00 0.00 1.29 0.13 -1.92 -2.98 132.00 133.39 3f7b h PRO 101 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3f7b h PRO 101 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3f7b h PRO 101 CO 0.53 0.00 -0.00 0.66 -0.23 0.00 0.00 178.00 178.96 3f7b n TYR 102 N -2.44 0.00 -0.49 1.56 4.01 -1.26 -1.95 117.16 116.59 3f7b n TYR 102 Ca -0.00 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.90 3f7b n TYR 102 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3f7b n TYR 102 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3f7b n LYS 103 N -1.15 1.58 0.00 -0.72 5.02 -1.12 -4.61 118.16 117.16 3f7b n LYS 103 Ca 0.11 -1.05 0.06 0.00 -2.02 0.00 0.00 58.31 55.41 3f7b n LYS 103 Cb 0.53 -0.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.72 3f7b n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f7b n GLY 104 N -0.28 -0.15 3.90 0.72 0.00 0.19 -4.53 105.19 105.04 3f7b n GLY 104 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3f7b n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7b s SER 105 N -1.98 6.49 -0.17 1.61 1.04 -0.37 -2.60 113.70 117.71 3f7b s SER 105 Ca 0.07 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.92 3f7b s SER 105 Cb 0.10 -2.11 -0.19 0.00 0.10 0.00 0.00 66.02 63.92 3f7b s SER 105 CO 0.45 -0.03 0.35 -0.33 0.98 0.00 0.00 173.24 174.66 3f7b h GLU 106 N 2.43 0.00 -7.37 4.02 5.08 -1.89 -3.45 114.58 113.39 3f7b h GLU 106 Ca -0.47 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.39 3f7b h GLU 106 Cb 1.17 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.49 3f7b h GLU 106 CO 0.70 0.83 0.41 -1.01 -1.00 0.00 0.00 179.01 178.94 3f7b s HIS 107 N -2.24 3.55 0.05 4.33 3.76 -1.26 -4.51 115.29 118.96 3f7b s HIS 107 Ca -0.22 1.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.93 3f7b s HIS 107 Cb 0.02 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 3f7b s HIS 107 CO 0.55 -0.80 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.00 3f7b s SER 108 N -4.22 1.13 -0.22 1.40 1.04 -1.14 -4.66 113.70 107.03 3f7b s SER 108 Ca 0.56 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 3f7b s SER 108 Cb -0.11 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3f7b s SER 108 CO 0.53 -0.14 -0.03 -0.76 0.98 0.00 0.00 173.24 173.82 3f7b s LEU 109 N -1.55 2.96 -1.44 2.42 1.43 -0.50 -0.71 118.68 121.29 3f7b s LEU 109 Ca -0.07 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3f7b s LEU 109 Cb -0.10 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.45 3f7b s LEU 109 CO 0.01 -0.01 0.68 0.47 0.23 0.00 0.00 176.35 177.73 3f7b n ASP 110 N 4.76 -4.21 0.00 2.29 8.00 0.13 -0.58 116.55 126.94 3f7b n ASP 110 Ca -0.18 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.75 3f7b n ASP 110 Cb 0.51 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 3f7b n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f7b n GLY 111 N -1.38 0.90 3.86 0.44 0.00 -1.26 -5.02 105.19 102.73 3f7b n GLY 111 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3f7b n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f7b s GLU 112 N -0.11 3.67 0.30 1.61 2.02 0.25 -5.05 118.70 121.39 3f7b s GLU 112 Ca 0.00 0.13 0.09 0.00 0.02 0.00 0.00 54.97 55.20 3f7b s GLU 112 Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 3f7b s GLU 112 CO 0.00 0.74 0.09 -1.01 0.02 0.00 0.00 175.26 175.10 3f7b s HIS 113 N -1.05 2.75 0.48 1.61 3.76 -1.26 -1.41 115.29 120.16 3f7b s HIS 113 Ca 0.19 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 3f7b s HIS 113 Cb -0.14 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 3f7b s HIS 113 CO 0.08 0.48 0.07 -0.06 -0.85 0.00 0.00 174.74 174.46 3f7b s PHE 114 N -2.35 1.78 0.20 1.40 0.40 -1.26 -4.69 117.98 113.46 3f7b s PHE 114 Ca 0.34 -1.15 0.05 0.00 -0.60 0.00 0.00 56.93 55.58 3f7b s PHE 114 Cb -0.05 -1.39 0.09 0.00 0.51 0.00 0.00 43.02 42.19 3f7b s PHE 114 CO 0.22 -0.05 1.45 0.00 0.70 0.00 0.00 175.22 177.54 3f7b h ALA 115 N 1.49 0.66 -2.73 5.36 0.00 -0.51 0.94 119.26 124.48 3f7b h ALA 115 Ca -0.39 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 53.75 3f7b h ALA 115 Cb 1.30 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 3f7b h ALA 115 CO 0.65 0.90 -0.23 -1.64 0.00 0.00 0.00 179.25 178.92 3f7b s MET 116 N -3.32 1.31 -0.06 0.00 -1.94 -1.05 -2.74 119.30 111.50 3f7b s MET 116 Ca -0.02 -1.19 -0.02 0.00 -1.71 0.00 0.00 55.69 52.75 3f7b s MET 116 Cb 0.11 0.42 0.04 0.00 2.01 0.00 0.00 34.83 37.41 3f7b s MET 116 CO 0.81 -0.51 0.11 -2.00 -0.01 0.00 0.00 175.02 173.41 3f7b s GLU 117 N -3.98 0.01 -0.14 2.03 2.12 0.53 -1.25 118.70 118.02 3f7b s GLU 117 Ca 0.19 0.39 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 3f7b s GLU 117 Cb 0.02 -0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 3f7b s GLU 117 CO 0.03 -0.24 0.23 1.41 -0.54 0.00 0.00 175.26 176.16 3f7b s MET 118 N 1.65 3.99 -0.17 4.30 -2.45 0.46 -1.01 119.30 126.07 3f7b s MET 118 Ca -0.03 0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.43 3f7b s MET 118 Cb -0.12 -3.34 0.02 0.00 1.25 0.00 0.00 34.83 32.64 3f7b s MET 118 CO -0.05 0.45 -0.20 -1.01 1.05 0.00 0.00 175.02 175.26 3f7b s HIS 119 N -0.14 2.75 -0.37 4.11 3.76 -0.09 -0.58 115.29 124.72 3f7b s HIS 119 Ca 0.15 -1.58 -0.10 0.00 -0.15 0.00 0.00 55.06 53.38 3f7b s HIS 119 Cb -0.13 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.70 3f7b s HIS 119 CO 0.04 -0.76 0.20 0.42 -0.85 0.00 0.00 174.74 173.78 3f7b s ILE 120 N 1.18 4.45 -0.21 0.60 1.01 0.72 -1.36 121.20 127.60 3f7b s ILE 120 Ca 0.02 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 3f7b s ILE 120 Cb -0.14 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3f7b s ILE 120 CO -0.10 -0.25 0.46 -0.69 0.00 0.00 0.00 174.94 174.36 3f7b s VAL 121 N 1.53 5.14 0.17 2.92 1.01 0.55 -1.08 120.40 130.63 3f7b s VAL 121 Ca 0.01 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.90 3f7b s VAL 121 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3f7b s VAL 121 CO 0.06 0.20 -0.15 -1.00 0.00 0.00 0.00 175.10 174.21 3f7b s HIS 122 N 1.57 1.65 -0.04 5.22 3.76 -0.07 -0.22 115.29 127.15 3f7b s HIS 122 Ca 0.21 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 3f7b s HIS 122 Cb -0.15 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 32.73 3f7b s HIS 122 CO 0.09 0.28 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.16 3f7b s GLU 123 N -3.11 1.29 0.39 1.40 2.12 0.59 -1.40 118.70 119.97 3f7b s GLU 123 Ca 0.16 -0.35 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 3f7b s GLU 123 Cb -0.03 -1.14 -0.13 0.00 0.26 0.00 0.00 34.13 33.09 3f7b s GLU 123 CO 0.05 0.08 0.71 1.17 -0.54 0.00 0.00 175.26 176.73 3f7b n LYS 124 N 3.54 0.79 -0.21 4.30 4.81 -0.15 -1.05 118.16 130.20 3f7b n LYS 124 Ca -0.21 0.29 -0.03 0.00 -0.87 0.00 0.00 58.31 57.49 3f7b n LYS 124 Cb 0.53 -1.63 0.04 0.00 0.02 0.00 0.00 35.03 33.99 3f7b n LYS 124 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3f7b n GLU 125 N 0.54 1.32 0.00 1.64 1.02 -0.85 -4.76 120.64 119.55 3f7b n GLU 125 Ca 0.11 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 3f7b n GLU 125 Cb 0.37 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3f7b n GLU 125 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3f7b n PRO 137 N 0.19 0.00 0.27 3.49 -0.05 -1.26 -5.11 135.00 132.52 3f7b n PRO 137 Ca 0.10 0.00 0.18 0.00 -0.05 0.00 0.00 63.50 63.72 3f7b n PRO 137 Cb 0.65 0.00 0.86 0.00 -0.05 0.00 0.00 33.50 34.96 3f7b n PRO 137 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 3f7b h GLU 138 N 0.00 0.00 -0.53 0.54 9.09 -1.86 -3.02 114.58 118.80 3f7b h GLU 138 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 3f7b h GLU 138 Cb 0.00 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 26.90 3f7b h GLU 138 CO 0.00 0.00 -0.09 -0.40 0.05 0.00 0.00 179.01 178.57 3f7b n ASP 139 N -2.85 3.63 -0.31 3.06 3.85 -1.26 -2.15 116.55 120.52 3f7b n ASP 139 Ca -0.01 -3.78 0.01 0.00 -0.71 0.00 0.00 54.79 50.30 3f7b n ASP 139 Cb 0.16 -0.63 0.20 0.00 -1.35 0.00 0.00 41.12 39.51 3f7b n ASP 139 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3f7b h GLU 140 N 1.36 1.09 -5.41 0.11 4.57 -1.25 -3.41 114.58 111.64 3f7b h GLU 140 Ca 0.32 -0.07 -0.66 0.00 -1.18 0.00 0.00 59.36 57.77 3f7b h GLU 140 Cb 1.58 -0.25 -0.26 0.00 -0.16 0.00 0.00 28.75 29.66 3f7b h GLU 140 CO 0.64 0.72 -0.76 0.42 -1.18 0.00 0.00 179.01 178.85 3f7b s ILE 141 N -5.96 3.05 -0.23 2.32 1.01 -0.55 -0.98 121.20 119.86 3f7b s ILE 141 Ca -0.12 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 3f7b s ILE 141 Cb 0.19 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3f7b s ILE 141 CO 0.80 0.53 0.03 0.00 0.00 0.00 0.00 174.94 176.31 3f7b s ALA 142 N 0.25 3.07 -0.16 9.38 0.00 -0.49 0.11 121.76 133.92 3f7b s ALA 142 Ca -0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 3f7b s ALA 142 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3f7b s ALA 142 CO 0.05 -0.40 0.03 0.08 0.00 0.00 0.00 175.76 175.52 3f7b s VAL 143 N 1.45 4.48 -0.22 0.00 1.01 -1.06 -0.89 120.40 125.18 3f7b s VAL 143 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3f7b s VAL 143 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3f7b s VAL 143 CO 0.02 0.49 0.44 -0.76 0.00 0.00 0.00 175.10 175.29 3f7b s LEU 144 N 0.16 4.12 -0.17 3.92 1.43 -0.24 -1.54 118.68 126.36 3f7b s LEU 144 Ca 0.02 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3f7b s LEU 144 Cb -0.13 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3f7b s LEU 144 CO 0.01 -0.15 -0.11 0.00 0.23 0.00 0.00 176.35 176.33 3f7b s ALA 145 N 1.67 2.65 -0.16 4.21 0.00 0.10 -0.20 121.76 130.04 3f7b s ALA 145 Ca 0.20 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3f7b s ALA 145 Cb -0.15 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3f7b s ALA 145 CO 0.09 -0.07 -0.18 -0.06 0.00 0.00 0.00 175.76 175.53 3f7b s PHE 146 N 0.88 2.74 0.39 0.00 0.40 0.26 -2.13 117.98 120.52 3f7b s PHE 146 Ca -0.03 -1.26 -0.23 0.00 -0.60 0.00 0.00 56.93 54.81 3f7b s PHE 146 Cb -0.15 -1.87 -0.11 0.00 0.51 0.00 0.00 43.02 41.40 3f7b s PHE 146 CO 0.00 -0.59 0.95 -0.51 0.70 0.00 0.00 175.22 175.77 3f7b s LEU 147 N 0.93 4.10 -0.03 -0.37 1.43 -1.26 -0.40 118.68 123.07 3f7b s LEU 147 Ca -0.04 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3f7b s LEU 147 Cb -0.15 -4.33 -0.00 0.00 0.03 0.00 0.00 46.19 41.74 3f7b s LEU 147 CO -0.03 -0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 175.45 3f7b s VAL 148 N -1.95 1.32 0.18 -1.59 1.01 -0.38 0.41 120.40 119.40 3f7b s VAL 148 Ca 0.57 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3f7b s VAL 148 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3f7b s VAL 148 CO 0.17 0.38 0.01 -1.83 0.00 0.00 0.00 175.10 173.84 3f7b s GLU 149 N -0.04 1.14 0.35 2.72 -1.05 -0.61 -1.27 118.70 119.94 3f7b s GLU 149 Ca -0.01 -1.56 -0.28 0.00 -0.15 0.00 0.00 54.97 52.97 3f7b s GLU 149 Cb -0.10 -0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.24 3f7b s GLU 149 CO 0.01 -0.15 1.26 0.00 0.95 0.00 0.00 175.26 177.33 3f7b s ALA 150 N -3.68 3.39 0.28 -0.84 0.00 -1.26 -2.00 121.76 117.64 3f7b s ALA 150 Ca 0.25 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.40 3f7b s ALA 150 Cb 0.06 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3f7b s ALA 150 CO 0.05 -0.59 0.08 0.41 0.00 0.00 0.00 175.76 175.71 3f7b n GLY 151 N 0.80 3.57 0.10 0.00 0.00 0.08 -4.80 105.19 104.94 3f7b n GLY 151 Ca 0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 3f7b n GLY 151 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f7b h THR 151 N 1.41 0.90 -3.10 2.61 1.35 -1.97 -3.38 112.91 110.73 3f7b h THR 151 Ca -0.22 -2.43 -0.54 0.00 -0.55 0.00 0.00 66.41 62.67 3f7b h THR 151 Cb 0.80 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 3f7b h THR 151 CO 0.35 0.51 -0.24 -1.10 -0.25 0.00 0.00 175.52 174.79 3f7b s GLN 152 N -2.85 3.61 0.18 4.72 -1.52 -1.26 -4.94 119.66 117.59 3f7b s GLN 152 Ca -0.00 -0.11 -0.31 0.00 -1.95 0.00 0.00 55.36 52.99 3f7b s GLN 152 Cb 0.08 -2.76 -0.09 0.00 -0.22 0.00 0.00 33.01 30.03 3f7b s GLN 152 CO 0.79 0.34 1.43 0.08 -0.25 0.00 0.00 175.29 177.69 3f7b s VAL 153 N -1.89 2.95 -0.59 1.09 1.01 -1.26 -2.90 120.40 118.81 3f7b s VAL 153 Ca 0.42 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 3f7b s VAL 153 Cb -0.11 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3f7b s VAL 153 CO 0.28 0.08 1.05 0.21 0.00 0.00 0.00 175.10 176.71 3f7b s ASN 154 N 0.80 6.33 0.19 3.32 3.84 -1.26 -4.88 114.94 123.27 3f7b s ASN 154 Ca 0.63 -0.32 -0.09 0.00 0.21 0.00 0.00 52.86 53.30 3f7b s ASN 154 Cb -0.40 -2.48 0.09 0.00 -0.55 0.00 0.00 41.25 37.91 3f7b s ASN 154 CO 0.35 -1.39 1.66 -0.33 -2.79 0.00 0.00 177.10 174.60 3f7b h GLU 155 N 9.48 1.07 -0.22 0.43 4.39 -1.93 -2.03 114.58 125.77 3f7b h GLU 155 Ca -0.26 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.17 3f7b h GLU 155 Cb 1.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 3f7b h GLU 155 CO 1.15 1.04 0.24 0.78 -1.16 0.00 0.00 179.01 181.05 3f7b h GLY 156 N 1.00 0.00 1.61 -3.84 0.00 -1.90 -0.94 103.07 99.00 3f7b h GLY 156 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3f7b h GLY 156 CO 0.03 0.00 -0.31 0.74 0.00 0.00 0.00 176.54 177.00 3f7b h PHE 157 N 0.00 0.00 -0.87 5.60 -1.00 -1.52 -3.40 116.94 115.75 3f7b h PHE 157 Ca 0.11 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.97 3f7b h PHE 157 Cb 0.58 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.07 3f7b h PHE 157 CO 0.00 0.00 0.52 1.96 -1.61 0.00 0.00 178.31 179.18 3f7b h GLN 158 N 0.00 0.87 -0.63 1.51 1.08 -1.10 -0.63 115.11 116.22 3f7b h GLN 158 Ca 0.00 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.20 3f7b h GLN 158 Cb 0.78 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 3f7b h GLN 158 CO 0.00 0.57 0.34 -1.35 -0.95 0.00 0.00 178.83 177.45 3f7b h PRO 159 N 0.89 0.62 -0.18 1.46 0.11 -1.79 -0.20 132.00 132.91 3f7b h PRO 159 Ca 0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 3f7b h PRO 159 Cb 0.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3f7b h PRO 159 CO -0.22 0.41 0.07 1.25 -0.21 0.00 0.00 178.00 179.30 3f7b h LEU 160 N 0.64 0.24 -0.91 2.35 5.85 -1.64 -1.26 115.31 120.57 3f7b h LEU 160 Ca 0.28 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3f7b h LEU 160 Cb 0.18 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3f7b h LEU 160 CO -0.18 0.33 0.50 0.58 -0.34 0.00 0.00 178.44 179.33 3f7b h VAL 161 N 0.13 1.26 -0.04 1.05 2.07 -0.68 -1.71 116.25 118.34 3f7b h VAL 161 Ca 0.06 -0.64 -0.14 0.00 0.82 0.00 0.00 66.70 66.79 3f7b h VAL 161 Cb 0.16 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3f7b h VAL 161 CO -0.01 0.29 -0.63 -0.33 0.02 0.00 0.00 177.57 176.92 3f7b h GLU 162 N 1.27 0.13 -0.36 1.57 5.08 -1.00 -2.87 114.58 118.42 3f7b h GLU 162 Ca 0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3f7b h GLU 162 Cb 0.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3f7b h GLU 162 CO -0.05 0.72 0.20 0.00 -1.00 0.00 0.00 179.01 178.87 3f7b h ALA 163 N 1.26 1.68 -1.00 3.43 0.00 -0.28 -3.03 119.26 121.31 3f7b h ALA 163 Ca -0.01 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 3f7b h ALA 163 Cb 1.13 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 3f7b h ALA 163 CO 0.09 0.28 0.63 -0.07 0.00 0.00 0.00 179.25 180.18 3f7b h LEU 164 N 0.49 0.56 -2.79 0.00 3.38 -1.27 -0.44 115.31 115.23 3f7b h LEU 164 Ca 0.13 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3f7b h LEU 164 Cb 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3f7b h LEU 164 CO -0.02 0.15 0.04 0.28 0.09 0.00 0.00 178.44 178.98 3f7b h SER 165 N 0.52 0.00 0.00 -0.43 0.02 -1.70 -2.41 113.55 109.55 3f7b h SER 165 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 3f7b h SER 165 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3f7b h SER 165 CO -0.32 0.00 -0.31 0.59 -1.14 0.00 0.00 176.83 175.65 3f7b n ASN 166 N -3.23 2.18 -2.53 3.07 3.02 -0.18 -4.48 115.26 113.12 3f7b n ASN 166 Ca -0.03 -1.59 -0.18 0.00 -0.03 0.00 0.00 54.58 52.76 3f7b n ASN 166 Cb 0.11 0.30 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 3f7b n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3f7b n ILE 167 N 0.30 1.78 -0.33 2.41 -5.35 -0.91 -4.77 119.36 112.49 3f7b n ILE 167 Ca 0.11 -3.98 0.05 0.00 -0.27 0.00 0.00 62.75 58.66 3f7b n ILE 167 Cb 0.49 -0.30 0.20 0.00 -1.74 0.00 0.00 39.64 38.28 3f7b n ILE 167 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3f7b h PRO 168 N 2.69 0.88 -6.10 6.28 0.13 -1.70 -3.43 132.00 130.76 3f7b h PRO 168 Ca 0.12 -0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 64.61 3f7b h PRO 168 Cb 1.12 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 3f7b h PRO 168 CO 0.65 0.58 -0.32 0.15 -0.23 0.00 0.00 178.00 178.83 3f7b s LYS 169 N -6.00 3.63 0.25 0.86 1.02 -1.26 -1.23 119.74 117.00 3f7b s LYS 169 Ca -0.12 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 3f7b s LYS 169 Cb 0.21 -2.93 -0.15 0.00 -0.52 0.00 0.00 37.83 34.44 3f7b s LYS 169 CO 0.79 0.52 0.94 -2.30 -0.92 0.00 0.00 175.35 174.39 3f7b n PRO 170 N 0.42 1.04 0.00 -1.68 -0.02 -1.26 -1.81 135.00 131.70 3f7b n PRO 170 Ca -0.05 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3f7b n PRO 170 Cb 0.52 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3f7b n PRO 170 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3f7b n GLU 171 N 0.97 0.00 -2.16 -0.52 -0.58 0.14 -4.90 120.64 113.59 3f7b n GLU 171 Ca 0.12 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.50 3f7b n GLU 171 Cb 0.29 -1.21 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 3f7b n GLU 171 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3f7b s MET 172 N -0.06 3.48 0.10 3.49 -1.94 -0.75 -4.75 119.30 118.87 3f7b s MET 172 Ca 0.00 1.81 0.03 0.00 -1.71 0.00 0.00 55.69 55.82 3f7b s MET 172 Cb 0.00 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.56 3f7b s MET 172 CO 0.00 -0.79 -0.08 -1.54 -0.01 0.00 0.00 175.02 172.60 3f7b s SER 173 N -1.42 1.31 0.28 3.03 1.04 -1.26 -1.45 113.70 115.23 3f7b s SER 173 Ca 0.68 -0.91 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 3f7b s SER 173 Cb -0.30 0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3f7b s SER 173 CO 0.35 -0.36 0.49 0.28 0.98 0.00 0.00 173.24 174.97 3f7b s THR 174 N -3.03 0.00 -0.24 2.02 -1.32 -0.31 -4.91 115.64 107.84 3f7b s THR 174 Ca 0.09 -1.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.06 3f7b s THR 174 Cb 0.01 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.60 3f7b s THR 174 CO -0.02 0.00 0.04 -0.89 -2.21 0.00 0.00 174.62 171.54 3f7b s THR 175 N -3.65 4.04 0.42 5.08 2.01 -1.26 -0.98 115.64 121.30 3f7b s THR 175 Ca 0.25 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 3f7b s THR 175 Cb -0.01 -2.89 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 3f7b s THR 175 CO 0.12 0.35 1.15 -0.04 -0.69 0.00 0.00 174.62 175.51 3f7b s MET 176 N 1.57 3.97 0.86 4.92 -1.94 0.33 -4.95 119.30 124.06 3f7b s MET 176 Ca 0.06 1.75 -0.11 0.00 -1.71 0.00 0.00 55.69 55.69 3f7b s MET 176 Cb -0.15 -2.55 0.12 0.00 2.01 0.00 0.00 34.83 34.25 3f7b s MET 176 CO 0.02 -0.37 1.14 0.00 -0.01 0.00 0.00 175.02 175.80 3f7b s ALA 177 N -1.51 1.70 0.13 3.03 0.00 -1.26 -3.58 121.76 120.27 3f7b s ALA 177 Ca 0.60 0.57 -0.35 0.00 0.00 0.00 0.00 51.96 52.78 3f7b s ALA 177 Cb -0.28 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 3f7b s ALA 177 CO 0.35 -2.47 1.34 0.39 0.00 0.00 0.00 175.76 175.37 3f7b n GLU 178 N -3.92 1.40 -3.57 0.00 1.02 -1.26 -4.68 120.64 109.63 3f7b n GLU 178 Ca 0.12 0.50 -0.07 0.00 -0.02 0.00 0.00 57.16 57.68 3f7b n GLU 178 Cb 0.52 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 3f7b n GLU 178 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3f7b s SER 179 N 0.41 -0.33 0.31 1.62 1.04 -0.51 -4.88 113.70 111.37 3f7b s SER 179 Ca 0.79 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 57.21 3f7b s SER 179 Cb -0.86 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 65.64 3f7b s SER 179 CO 0.47 -0.73 -0.14 -0.94 0.98 0.00 0.00 173.24 172.89 3f7b s SER 180 N -2.63 3.71 0.31 7.02 1.04 -1.26 -2.01 113.70 119.88 3f7b s SER 180 Ca 0.07 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.43 3f7b s SER 180 Cb -0.01 -0.35 0.51 0.00 0.10 0.00 0.00 66.02 66.26 3f7b s SER 180 CO -0.06 -0.09 1.83 -0.07 0.98 0.00 0.00 173.24 175.83 3f7b h LEU 181 N 2.12 0.57 -1.99 2.42 3.38 -1.72 -0.76 115.31 119.33 3f7b h LEU 181 Ca -0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3f7b h LEU 181 Cb 1.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3f7b h LEU 181 CO 0.65 0.65 -0.02 0.25 0.09 0.00 0.00 178.44 180.06 3f7b h LEU 182 N 0.57 0.00 -2.56 1.67 5.85 -1.53 0.59 115.31 119.90 3f7b h LEU 182 Ca 0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3f7b h LEU 182 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3f7b h LEU 182 CO 0.02 0.02 0.11 0.44 -0.34 0.00 0.00 178.44 178.68 3f7b h ASP 183 N 0.00 0.00 0.29 1.25 3.32 -1.41 -2.72 116.42 117.15 3f7b h ASP 183 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3f7b h ASP 183 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3f7b h ASP 183 CO 0.00 0.00 -1.88 0.18 -1.72 0.00 0.00 179.24 175.83 3f7b n LEU 184 N -3.33 0.33 -4.84 1.55 4.77 0.19 -4.12 117.00 111.55 3f7b n LEU 184 Ca -0.02 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 3f7b n LEU 184 Cb 0.18 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3f7b n LEU 184 CO 0.22 0.20 0.63 -0.76 -1.33 0.00 0.00 177.39 176.35 3f7b s LEU 185 N -5.29 3.72 1.17 2.23 1.43 -1.03 -5.00 118.68 115.91 3f7b s LEU 185 Ca -0.07 1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 54.37 3f7b s LEU 185 Cb 0.09 -4.43 0.28 0.00 0.03 0.00 0.00 46.19 42.16 3f7b s LEU 185 CO 0.85 -0.51 1.14 -2.16 0.23 0.00 0.00 176.35 175.89 3f7b s PRO 186 N -3.85 -0.98 0.00 1.29 0.04 -1.26 -4.97 135.00 125.26 3f7b s PRO 186 Ca 0.58 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.50 3f7b s PRO 186 Cb -0.10 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3f7b s PRO 186 CO 0.28 -3.54 0.00 1.63 0.04 0.00 0.00 177.00 175.41 3f7b n LYS 187 N -4.63 0.00 0.00 4.56 4.01 -1.26 -4.86 118.16 115.99 3f7b n LYS 187 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 3f7b n LYS 187 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 3f7b n LYS 187 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3f7b n GLU 187 N 0.00 0.00 0.00 1.97 0.00 -1.26 -3.42 120.64 117.93 3f7b n GLU 187 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 3f7b n GLU 187 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 31.44 32.00 3f7b n GLU 187 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3f7b n LYS 188 N 0.00 0.98 -0.15 3.44 5.02 -1.26 -3.19 118.16 123.00 3f7b n LYS 188 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3f7b n LYS 188 Cb 0.00 -1.30 0.16 0.00 -0.02 0.00 0.00 35.03 33.88 3f7b n LYS 188 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f7b n LEU 189 N -0.80 3.01 0.09 -0.35 4.77 -1.22 -4.53 117.00 117.96 3f7b n LEU 189 Ca 0.14 -1.54 -0.12 0.00 -0.03 0.00 0.00 56.01 54.45 3f7b n LEU 189 Cb 0.06 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 3f7b n LEU 189 CO 0.11 0.67 0.06 -0.09 -1.33 0.00 0.00 177.39 176.80 3f7b h ARG 189 N 3.31 0.20 -5.03 3.23 2.43 -1.90 -3.43 114.38 113.19 3f7b h ARG 189 Ca 0.00 -0.31 -0.63 0.00 -0.81 0.00 0.00 59.98 58.22 3f7b h ARG 189 Cb 0.80 0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 30.29 3f7b h ARG 189 CO 0.00 1.12 -0.55 -1.01 -1.51 0.00 0.00 179.97 178.01 3f7b s HIS 190 N -2.79 3.21 0.07 2.20 3.76 -1.26 -4.80 115.29 115.67 3f7b s HIS 190 Ca -0.03 -0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 54.69 3f7b s HIS 190 Cb 0.08 -2.26 0.03 0.00 1.11 0.00 0.00 32.58 31.55 3f7b s HIS 190 CO 0.86 -0.10 0.40 1.52 -0.85 0.00 0.00 174.74 176.56 3f7b s TYR 191 N 1.29 -0.23 0.12 1.40 -0.85 -1.26 -1.73 117.35 116.09 3f7b s TYR 191 Ca 0.06 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.74 3f7b s TYR 191 Cb -0.14 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 3f7b s TYR 191 CO 0.05 -0.60 0.12 -0.06 -1.52 0.00 0.00 175.55 173.54 3f7b s PHE 192 N -2.87 3.20 -0.01 -3.49 0.08 0.41 -1.56 117.98 113.74 3f7b s PHE 192 Ca -0.03 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.07 3f7b s PHE 192 Cb 0.00 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 3f7b s PHE 192 CO -0.05 0.52 0.01 0.50 -0.10 0.00 0.00 175.22 176.10 3f7b s ARG 193 N -2.75 0.02 0.30 0.44 6.06 0.72 -1.57 118.95 122.18 3f7b s ARG 193 Ca 0.30 0.05 -0.19 0.00 -2.50 0.00 0.00 55.73 53.40 3f7b s ARG 193 Cb -0.11 -0.12 0.03 0.00 0.06 0.00 0.00 34.95 34.80 3f7b s ARG 193 CO 0.23 -0.05 0.72 1.52 -2.50 0.00 0.00 175.30 175.22 3f7b s TYR 194 N 0.38 -0.08 -0.13 5.12 -0.85 -1.15 -1.29 117.35 119.35 3f7b s TYR 194 Ca -0.03 -0.42 -0.05 0.00 -0.52 0.00 0.00 57.07 56.04 3f7b s TYR 194 Cb -0.05 0.70 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3f7b s TYR 194 CO -0.01 -1.29 0.06 -0.51 -1.52 0.00 0.00 175.55 172.28 3f7b s LEU 195 N -2.96 3.90 0.00 -3.49 1.43 -1.26 -1.24 118.68 115.06 3f7b s LEU 195 Ca 0.13 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3f7b s LEU 195 Cb -0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3f7b s LEU 195 CO 0.08 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.59 3f7b n GLY 196 N 2.60 3.66 3.45 -3.19 0.00 0.05 -4.89 105.19 106.87 3f7b n GLY 196 Ca -0.18 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 3f7b n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7b s SER 197 N 1.97 2.30 0.68 1.61 1.04 -1.19 -2.02 113.70 118.10 3f7b s SER 197 Ca 0.00 -1.43 -0.17 0.00 0.48 0.00 0.00 55.95 54.83 3f7b s SER 197 Cb 0.00 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.18 3f7b s SER 197 CO 0.00 -0.68 1.23 0.18 0.98 0.00 0.00 173.24 174.95 3f7b n LEU 198 N -0.70 5.41 -1.68 2.42 4.77 -0.69 -4.43 117.00 122.09 3f7b n LEU 198 Ca -0.03 0.77 0.09 0.00 -0.03 0.00 0.00 56.01 56.81 3f7b n LEU 198 Cb 0.66 -1.53 0.38 0.00 -2.33 0.00 0.00 43.42 40.60 3f7b n LEU 198 CO 0.41 -1.26 0.84 0.35 -1.33 0.00 0.00 177.39 176.39 3f7b n THR 199 N -2.22 2.06 -4.13 -5.08 -2.24 -1.26 -4.41 114.28 97.00 3f7b n THR 199 Ca 0.15 -1.25 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 3f7b n THR 199 Cb 0.49 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 3f7b n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f7b s THR 200 N -2.06 0.56 0.42 4.28 -4.23 -1.26 -4.65 115.64 108.70 3f7b s THR 200 Ca 0.53 -1.76 -0.24 0.00 -1.18 0.00 0.00 61.69 59.04 3f7b s THR 200 Cb 0.35 -1.45 -0.11 0.00 1.34 0.00 0.00 72.50 72.63 3f7b s THR 200 CO 0.23 -0.82 0.96 -2.65 -0.54 0.00 0.00 174.62 171.81 3f7b n PRO 201 N 0.25 1.26 -0.43 3.99 -0.02 -1.26 0.26 135.00 139.04 3f7b n PRO 201 Ca -0.14 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3f7b n PRO 201 Cb 0.60 -1.99 0.21 0.00 -0.02 0.00 0.00 33.50 32.30 3f7b n PRO 201 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f7b n THR 202 N -0.55 1.32 -2.28 3.45 -2.24 -1.26 -4.97 114.28 107.75 3f7b n THR 202 Ca 0.10 -0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 3f7b n THR 202 Cb 0.39 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 3f7b n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7b n ASP 204 N -1.86 1.48 -3.68 0.00 9.92 -1.26 -4.28 116.55 116.86 3f7b n ASP 204 Ca -0.22 1.13 -0.41 0.00 -0.53 0.00 0.00 54.79 54.75 3f7b n ASP 204 Cb 0.67 -1.18 -0.00 0.00 -0.64 0.00 0.00 41.12 39.96 3f7b n ASP 204 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3f7b n GLU 205 N 2.28 3.58 -1.00 -1.24 1.02 -1.26 -1.70 120.64 122.33 3f7b n GLU 205 Ca 0.18 -3.06 0.02 0.00 -0.02 0.00 0.00 57.16 54.28 3f7b n GLU 205 Cb 0.20 -2.96 0.02 0.00 -0.02 0.00 0.00 31.44 28.68 3f7b n GLU 205 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3f7b n LYS 206 N 4.09 0.07 -4.11 3.49 2.85 -1.10 -4.51 118.16 118.94 3f7b n LYS 206 Ca 0.53 -1.60 -0.35 0.00 -1.05 0.00 0.00 58.31 55.84 3f7b n LYS 206 Cb 0.33 -0.30 -0.11 0.00 -0.65 0.00 0.00 35.03 34.30 3f7b n LYS 206 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3f7b s VAL 207 N -0.15 4.35 -0.32 0.58 1.01 -0.86 -1.48 120.40 123.54 3f7b s VAL 207 Ca 0.19 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 3f7b s VAL 207 Cb 0.21 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 3f7b s VAL 207 CO -0.09 0.45 0.54 0.54 0.00 0.00 0.00 175.10 176.54 3f7b s VAL 208 N 0.60 5.01 0.05 2.92 0.11 0.12 -0.77 120.40 128.42 3f7b s VAL 208 Ca 0.01 0.57 -0.13 0.00 -2.93 0.00 0.00 61.98 59.50 3f7b s VAL 208 Cb -0.14 -3.94 -0.06 0.00 -1.53 0.00 0.00 36.38 30.71 3f7b s VAL 208 CO 0.02 -0.14 0.43 0.26 -3.33 0.00 0.00 175.10 172.34 3f7b s TRP 209 N 2.43 3.67 -0.13 1.54 0.52 -0.37 -2.55 118.94 124.05 3f7b s TRP 209 Ca 0.21 0.95 -0.00 0.00 0.02 0.00 0.00 56.10 57.28 3f7b s TRP 209 Cb -0.15 -2.27 0.03 0.00 -1.15 0.00 0.00 33.47 29.93 3f7b s TRP 209 CO 0.12 0.58 -0.08 0.99 0.02 0.00 0.00 176.95 178.58 3f7b s THR 210 N -1.22 1.15 -0.22 2.01 2.01 -0.59 -2.94 115.64 115.85 3f7b s THR 210 Ca 0.28 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 3f7b s THR 210 Cb -0.16 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.19 3f7b s THR 210 CO 0.16 0.33 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 3f7b s VAL 211 N 1.65 2.52 0.26 3.82 1.01 -0.61 0.01 120.40 129.05 3f7b s VAL 211 Ca 0.04 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 3f7b s VAL 211 Cb -0.13 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 3f7b s VAL 211 CO -0.09 0.35 0.85 -0.36 0.00 0.00 0.00 175.10 175.86 3f7b s PHE 212 N 1.31 3.74 0.09 5.22 0.40 -0.90 -0.45 117.98 127.38 3f7b s PHE 212 Ca 0.02 1.65 -0.14 0.00 -0.60 0.00 0.00 56.93 57.86 3f7b s PHE 212 Cb -0.15 -2.81 -0.14 0.00 0.51 0.00 0.00 43.02 40.43 3f7b s PHE 212 CO -0.08 0.32 1.31 -0.09 0.70 0.00 0.00 175.22 177.39 3f7b h ARG 213 N 3.53 0.72 -6.04 0.44 2.43 -1.64 -3.42 114.38 110.40 3f7b h ARG 213 Ca -0.47 -0.54 -0.56 0.00 -0.81 0.00 0.00 59.98 57.60 3f7b h ARG 213 Cb 1.20 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 3f7b h ARG 213 CO 0.65 1.16 0.14 -1.21 -1.51 0.00 0.00 179.97 179.20 3f7b s GLU 214 N -3.86 4.42 0.53 0.20 0.41 -1.26 -5.01 118.70 114.12 3f7b s GLU 214 Ca -0.11 0.92 -0.17 0.00 -0.41 0.00 0.00 54.97 55.20 3f7b s GLU 214 Cb 0.08 -3.47 -0.07 0.00 -1.78 0.00 0.00 34.13 28.89 3f7b s GLU 214 CO 0.87 0.01 1.01 -1.25 -0.49 0.00 0.00 175.26 175.41 3f7b s PRO 215 N 0.99 3.78 0.45 0.39 0.04 -1.26 -4.67 135.00 134.71 3f7b s PRO 215 Ca 0.38 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 3f7b s PRO 215 Cb -0.18 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 3f7b s PRO 215 CO 0.18 -0.42 1.06 0.42 0.04 0.00 0.00 177.00 178.28 3f7b s ILE 216 N -2.48 3.67 -0.18 0.56 1.01 0.17 -4.90 121.20 119.05 3f7b s ILE 216 Ca 0.61 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 62.38 3f7b s ILE 216 Cb -0.12 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3f7b s ILE 216 CO 0.30 -0.10 -0.01 -1.10 0.00 0.00 0.00 174.94 174.03 3f7b s GLN 217 N -2.84 3.69 0.15 2.79 -0.21 -1.26 -1.57 119.66 120.40 3f7b s GLN 217 Ca 0.63 -0.50 0.11 0.00 0.02 0.00 0.00 55.36 55.62 3f7b s GLN 217 Cb -0.20 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 3f7b s GLN 217 CO 0.25 0.16 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.81 3f7b s LEU 218 N 0.61 2.38 0.60 2.90 1.43 -0.85 -4.51 118.68 121.24 3f7b s LEU 218 Ca -0.01 -0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 3f7b s LEU 218 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3f7b s LEU 218 CO 0.02 0.16 1.24 -2.28 0.23 0.00 0.00 176.35 175.72 3f7b s HIS 219 N -1.26 2.31 0.30 0.29 5.65 -1.14 -0.74 115.29 120.69 3f7b s HIS 219 Ca 0.16 1.50 0.05 0.00 0.25 0.00 0.00 55.06 57.02 3f7b s HIS 219 Cb -0.09 -3.56 0.80 0.00 -1.18 0.00 0.00 32.58 28.54 3f7b s HIS 219 CO 0.07 -2.43 1.67 -0.09 -0.65 0.00 0.00 174.74 173.31 3f7b h ARG 220 N 0.86 0.29 -0.06 2.88 2.43 -1.90 -0.47 114.38 118.40 3f7b h ARG 220 Ca -0.51 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.48 3f7b h ARG 220 Cb 1.31 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3f7b h ARG 220 CO 0.55 0.19 -0.68 0.93 -1.51 0.00 0.00 179.97 179.44 3f7b h GLU 221 N 0.30 0.27 -0.91 0.20 4.39 -1.96 -1.15 114.58 115.72 3f7b h GLU 221 Ca 0.59 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 60.09 3f7b h GLU 221 Cb 1.21 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 3f7b h GLU 221 CO -0.60 0.85 0.60 1.96 -1.16 0.00 0.00 179.01 180.66 3f7b h GLN 222 N 0.19 1.19 -0.14 2.33 4.20 -1.46 -2.01 115.11 119.41 3f7b h GLN 222 Ca -0.02 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3f7b h GLN 222 Cb 1.23 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 3f7b h GLN 222 CO 0.11 0.78 -0.20 0.82 -0.67 0.00 0.00 178.83 179.67 3f7b h ILE 223 N 1.22 1.36 -0.54 2.54 2.04 -1.08 -3.16 117.51 119.89 3f7b h ILE 223 Ca 0.34 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.79 3f7b h ILE 223 Cb -0.12 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3f7b h ILE 223 CO -0.08 0.42 0.36 -0.07 0.00 0.00 0.00 178.15 178.78 3f7b h LEU 224 N -0.01 0.55 -1.40 1.44 3.38 -1.19 -2.78 115.31 115.30 3f7b h LEU 224 Ca 0.01 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.24 3f7b h LEU 224 Cb 0.77 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 3f7b h LEU 224 CO 0.05 0.38 0.67 0.00 0.09 0.00 0.00 178.44 179.63 3f7b h ALA 225 N 1.68 2.26 -0.62 1.53 0.00 -1.32 0.22 119.26 123.02 3f7b h ALA 225 Ca 0.21 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3f7b h ALA 225 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3f7b h ALA 225 CO -0.05 -0.65 0.09 0.74 0.00 0.00 0.00 179.25 179.38 3f7b h PHE 226 N 0.38 1.06 -0.00 0.00 -1.00 -1.61 -0.12 116.94 115.65 3f7b h PHE 226 Ca 0.58 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 61.22 3f7b h PHE 226 Cb 1.50 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.76 3f7b h PHE 226 CO -0.00 0.90 -0.67 -1.13 -1.61 0.00 0.00 178.31 175.80 3f7b n SER 227 N -4.22 0.75 0.02 2.17 3.41 0.15 -3.41 113.62 112.49 3f7b n SER 227 Ca 0.04 -0.59 -0.03 0.00 -0.26 0.00 0.00 58.87 58.03 3f7b n SER 227 Cb 0.28 0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 3f7b n SER 227 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3f7b h GLN 227 N 0.13 0.00 0.00 4.33 4.20 -0.37 -3.40 115.11 120.00 3f7b h GLN 227 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f7b h GLN 227 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3f7b h GLN 227 CO 0.00 0.37 -1.33 1.63 -0.67 0.00 0.00 178.83 178.83 3f7b n LYS 228 N -2.96 1.07 -4.30 1.46 4.76 -0.08 -4.98 118.16 113.13 3f7b n LYS 228 Ca -0.12 -0.09 -0.31 0.00 -2.87 0.00 0.00 58.31 54.93 3f7b n LYS 228 Cb 0.91 -1.29 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 3f7b n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f7b s LEU 229 N -3.56 3.17 0.05 -0.35 1.43 -1.22 -4.02 118.68 114.18 3f7b s LEU 229 Ca -0.02 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3f7b s LEU 229 Cb 0.10 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3f7b s LEU 229 CO 0.61 0.22 -0.12 -0.31 0.23 0.00 0.00 176.35 176.98 3f7b s TYR 230 N -1.15 1.03 -0.43 0.29 1.51 -0.36 -1.27 117.35 116.97 3f7b s TYR 230 Ca 0.21 -0.42 0.26 0.00 -1.01 0.00 0.00 57.07 56.11 3f7b s TYR 230 Cb -0.11 -0.60 0.98 0.00 -0.11 0.00 0.00 41.96 42.12 3f7b s TYR 230 CO 0.12 0.01 1.77 1.88 -1.11 0.00 0.00 175.55 178.22 3f7b h TYR 231 N 4.64 0.00 -3.87 2.71 0.99 -1.30 -3.38 116.97 116.76 3f7b h TYR 231 Ca -0.38 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 59.96 3f7b h TYR 231 Cb 1.19 0.00 -0.21 0.00 1.00 0.00 0.00 36.73 38.72 3f7b h TYR 231 CO 0.59 0.00 -0.77 0.16 -0.00 0.00 0.00 178.16 178.15 3f7b s ASP 232 N -4.67 1.64 0.45 3.88 -4.77 -1.26 -4.80 116.67 107.14 3f7b s ASP 232 Ca 0.05 -0.67 0.20 0.00 -3.30 0.00 0.00 52.55 48.84 3f7b s ASP 232 Cb 0.10 -0.04 1.08 0.00 -1.09 0.00 0.00 42.92 42.96 3f7b s ASP 232 CO 0.48 -0.12 1.95 0.07 0.70 0.00 0.00 175.17 178.24 3f7b h LYS 233 N 4.10 0.00 0.00 2.11 2.10 -1.93 -2.13 116.57 120.82 3f7b h LYS 233 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3f7b h LYS 233 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3f7b h LYS 233 CO 0.43 0.23 0.00 0.39 -2.00 0.00 0.00 179.45 178.50 3f7b n GLU 236 N -3.85 0.08 -3.75 0.07 4.71 -1.26 -4.91 120.64 111.74 3f7b n GLU 236 Ca -0.02 0.23 -0.22 0.00 -0.01 0.00 0.00 57.16 57.14 3f7b n GLU 236 Cb 0.32 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.27 3f7b n GLU 236 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f7b n GLN 237 N -1.41 -4.60 -0.00 3.49 6.02 -0.80 -4.91 117.38 115.17 3f7b n GLN 237 Ca 0.05 0.58 0.02 0.00 -0.01 0.00 0.00 57.00 57.64 3f7b n GLN 237 Cb 0.13 -5.05 -0.04 0.00 1.02 0.00 0.00 30.24 26.30 3f7b n GLN 237 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f7b n THR 238 N -4.30 0.00 -3.74 5.09 -2.24 -1.26 -4.94 114.28 102.90 3f7b n THR 238 Ca -0.30 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 3f7b n THR 238 Cb 0.68 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 3f7b n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f7b s VAL 239 N -2.16 3.67 0.27 2.28 1.01 -1.26 -5.07 120.40 119.13 3f7b s VAL 239 Ca -0.01 -1.47 -0.31 0.00 0.00 0.00 0.00 61.98 60.19 3f7b s VAL 239 Cb 0.03 -3.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.06 3f7b s VAL 239 CO 0.21 -0.38 1.56 -1.20 0.00 0.00 0.00 175.10 175.28 3f7b n SER 240 N 4.76 3.56 -4.64 3.32 7.64 -1.26 -0.98 113.62 126.02 3f7b n SER 240 Ca -0.09 1.14 -0.43 0.00 1.01 0.00 0.00 58.87 60.49 3f7b n SER 240 Cb 0.43 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.07 3f7b n SER 240 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3f7b s MET 241 N -0.29 3.99 -0.11 1.43 0.00 -0.40 -4.56 119.30 119.37 3f7b s MET 241 Ca 0.67 1.26 -0.33 0.00 0.00 0.00 0.00 55.69 57.29 3f7b s MET 241 Cb -0.54 -3.83 0.13 0.00 0.00 0.00 0.00 34.83 30.58 3f7b s MET 241 CO 0.47 -1.02 1.19 -1.59 0.00 0.00 0.00 175.02 174.08 3f7b s LYS 242 N 3.96 0.42 -1.50 4.11 -2.85 -1.26 -4.14 119.74 118.47 3f7b s LYS 242 Ca 0.54 -0.19 -0.05 0.00 -1.00 0.00 0.00 55.97 55.26 3f7b s LYS 242 Cb -0.16 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.80 3f7b s LYS 242 CO 0.20 -0.19 0.57 -0.25 0.10 0.00 0.00 175.35 175.78 3f7b n ASP 243 N -0.24 -5.62 -3.48 0.03 8.00 0.42 -4.89 116.55 110.77 3f7b n ASP 243 Ca -0.03 -0.30 -0.40 0.00 0.71 0.00 0.00 54.79 54.77 3f7b n ASP 243 Cb 0.60 -4.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.13 3f7b n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3f7b n ASN 244 N -2.46 7.49 -4.00 -2.24 6.94 -1.19 -4.65 115.26 115.16 3f7b n ASN 244 Ca -0.10 -2.86 -0.23 0.00 -0.02 0.00 0.00 54.58 51.37 3f7b n ASN 244 Cb 0.61 -1.49 -0.16 0.00 -2.36 0.00 0.00 39.78 36.37 3f7b n ASN 244 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3f7b s VAL 245 N 0.95 0.99 0.12 3.53 1.01 -1.26 -4.49 120.40 121.24 3f7b s VAL 245 Ca 0.58 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 3f7b s VAL 245 Cb 0.17 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 3f7b s VAL 245 CO -0.07 0.32 0.73 -0.60 0.00 0.00 0.00 175.10 175.48 3f7b s ARG 246 N 0.66 4.48 0.90 2.72 3.52 -1.26 -4.82 118.95 125.14 3f7b s ARG 246 Ca -0.13 1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 56.41 3f7b s ARG 246 Cb -0.15 -3.28 0.13 0.00 -1.56 0.00 0.00 34.95 30.09 3f7b s ARG 246 CO 0.03 0.52 1.13 -0.35 -0.81 0.00 0.00 175.30 175.81 3f7b n PRO 247 N 1.92 -0.33 -2.25 5.12 -0.04 -1.26 -4.72 135.00 133.44 3f7b n PRO 247 Ca -0.06 -0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 3f7b n PRO 247 Cb 0.49 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3f7b n PRO 247 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f7b s LEU 248 N -6.21 4.46 0.37 1.53 1.43 -1.26 -4.44 118.68 114.57 3f7b s LEU 248 Ca 0.68 2.53 0.07 0.00 -1.03 0.00 0.00 54.13 56.39 3f7b s LEU 248 Cb -0.24 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 3f7b s LEU 248 CO 0.57 -0.40 0.39 -1.10 0.23 0.00 0.00 176.35 176.03 3f7b s GLN 249 N -1.69 2.73 -0.01 1.70 -1.52 0.80 -4.99 119.66 116.68 3f7b s GLN 249 Ca 0.48 -1.32 -0.24 0.00 -1.95 0.00 0.00 55.36 52.32 3f7b s GLN 249 Cb -0.37 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.84 3f7b s GLN 249 CO 0.48 -0.06 0.74 -0.65 -0.25 0.00 0.00 175.29 175.56 3f7b s GLN 250 N -4.12 4.46 0.29 2.91 -1.52 -1.26 -4.48 119.66 115.94 3f7b s GLN 250 Ca 0.46 0.98 0.03 0.00 -1.95 0.00 0.00 55.36 54.88 3f7b s GLN 250 Cb -0.06 -3.41 0.63 0.00 -0.22 0.00 0.00 33.01 29.95 3f7b s GLN 250 CO 0.29 0.16 1.80 1.25 -0.25 0.00 0.00 175.29 178.54 3f7b h LEU 251 N 6.26 0.83 0.00 2.90 5.85 -1.92 -3.43 115.31 125.80 3f7b h LEU 251 Ca -0.42 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3f7b h LEU 251 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3f7b h LEU 251 CO 0.73 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.82 3f7b n GLY 252 N -1.34 3.25 0.15 3.75 0.00 -1.26 -2.91 105.19 106.82 3f7b n GLY 252 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3f7b n GLY 252 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3f7b h GLN 253 N 0.00 0.00 -6.81 1.61 7.50 -1.90 -3.47 115.11 112.04 3f7b h GLN 253 Ca 0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.59 3f7b h GLN 253 Cb 0.00 0.00 0.18 0.00 0.05 0.00 0.00 27.48 27.71 3f7b h GLN 253 CO 0.00 0.34 -0.14 0.54 -1.50 0.00 0.00 178.83 178.07 3f7b n ARG 254 N -3.11 0.40 -4.15 1.46 1.74 -1.15 -5.05 116.66 106.79 3f7b n ARG 254 Ca 0.01 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 3f7b n ARG 254 Cb 0.70 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3f7b n ARG 254 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3f7b s THR 255 N -1.87 4.17 -0.08 0.55 -4.23 -1.26 -4.99 115.64 107.93 3f7b s THR 255 Ca 0.69 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 3f7b s THR 255 Cb -0.35 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3f7b s THR 255 CO 0.54 -0.28 0.03 -0.69 -0.54 0.00 0.00 174.62 173.68 3f7b s VAL 256 N -2.04 4.50 0.35 2.29 1.01 -1.26 -4.66 120.40 120.58 3f7b s VAL 256 Ca 0.31 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.17 3f7b s VAL 256 Cb -0.08 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3f7b s VAL 256 CO 0.23 0.58 0.08 0.27 0.00 0.00 0.00 175.10 176.25 3f7b s ILE 257 N -0.94 2.75 0.20 2.22 -4.36 -0.41 -3.49 121.20 117.17 3f7b s ILE 257 Ca 0.14 -1.84 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 3f7b s ILE 257 Cb -0.11 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 3f7b s ILE 257 CO 0.04 -0.17 0.00 -1.59 0.24 0.00 0.00 174.94 173.46 3f7b s LYS 258 N -3.78 1.22 0.00 0.37 -2.85 0.07 -0.20 119.74 114.57 3f7b s LYS 258 Ca 0.36 -1.61 0.31 0.00 -1.00 0.00 0.00 55.97 54.04 3f7b s LYS 258 Cb -0.01 -0.42 1.66 0.00 -2.06 0.00 0.00 37.83 37.00 3f7b s LYS 258 CO 0.21 -0.12 2.09 -1.13 0.10 0.00 0.00 175.35 176.49