#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfq s GLU 3 N 0.00 4.07 0.36 -1.09 2.02 -0.03 -4.90 118.70 119.13 3hfq s GLU 3 Ca 0.00 -0.01 -0.24 0.00 0.02 0.00 0.00 54.97 54.74 3hfq s GLU 3 Cb 0.00 -3.60 -0.10 0.00 0.10 0.00 0.00 34.13 30.53 3hfq s GLU 3 CO 0.00 -0.13 0.97 1.03 0.02 0.00 0.00 175.26 177.15 3hfq s ARG 4 N 1.60 4.41 0.03 1.61 1.81 -1.26 -0.30 118.95 126.86 3hfq s ARG 4 Ca 0.14 1.32 0.02 0.00 -1.72 0.00 0.00 55.73 55.49 3hfq s ARG 4 Cb -0.15 -2.60 -0.02 0.00 -0.45 0.00 0.00 34.95 31.73 3hfq s ARG 4 CO 0.08 0.12 -0.07 0.42 -0.68 0.00 0.00 175.30 175.17 3hfq s ILE 5 N -1.76 0.45 -0.00 1.52 1.01 0.07 -1.62 121.20 120.87 3hfq s ILE 5 Ca 0.55 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 60.30 3hfq s ILE 5 Cb -0.17 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3hfq s ILE 5 CO 0.22 -0.35 -0.24 -0.76 0.00 0.00 0.00 174.94 173.81 3hfq s LEU 6 N -1.42 2.23 -0.14 2.97 1.43 0.99 0.57 118.68 125.31 3hfq s LEU 6 Ca -0.10 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3hfq s LEU 6 Cb -0.09 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3hfq s LEU 6 CO 0.00 0.31 -0.18 -0.36 0.23 0.00 0.00 176.35 176.34 3hfq s PHE 7 N -0.70 2.72 0.30 0.29 0.40 0.12 -1.00 117.98 120.12 3hfq s PHE 7 Ca 0.11 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.21 3hfq s PHE 7 Cb -0.10 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 3hfq s PHE 7 CO 0.00 -0.51 0.63 0.20 0.70 0.00 0.00 175.22 176.25 3hfq s GLY 8 N 0.76 2.08 0.35 4.36 0.00 -0.38 -1.97 107.32 112.52 3hfq s GLY 8 Ca -0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.31 3hfq s GLY 8 CO 0.00 -0.14 0.53 -0.51 0.00 0.00 0.00 173.10 172.98 3hfq s THR 9 N -2.06 0.00 0.15 0.90 -4.23 -0.26 -0.78 115.64 109.37 3hfq s THR 9 Ca 0.48 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 3hfq s THR 9 Cb -0.11 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 3hfq s THR 9 CO 0.26 0.00 0.18 -0.31 -0.54 0.00 0.00 174.62 174.21 3hfq s TYR 10 N -2.92 3.27 -0.43 3.99 2.02 -0.90 -2.05 117.35 120.32 3hfq s TYR 10 Ca 0.28 0.03 0.08 0.00 -0.37 0.00 0.00 57.07 57.09 3hfq s TYR 10 Cb -0.01 -1.57 0.41 0.00 -0.40 0.00 0.00 41.96 40.39 3hfq s TYR 10 CO 0.19 0.52 1.04 0.25 -1.57 0.00 0.00 175.55 175.97 3hfq n THR 11 N -0.38 2.09 0.25 -0.71 -2.24 -1.26 -4.51 114.28 107.53 3hfq n THR 11 Ca -0.08 -4.65 0.11 0.00 -2.27 0.00 0.00 64.05 57.16 3hfq n THR 11 Cb 0.54 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 3hfq n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hfq n LYS 12 N -0.33 0.49 0.00 -0.78 5.02 -1.26 -4.83 118.16 116.48 3hfq n LYS 12 Ca 0.31 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3hfq n LYS 12 Cb 0.65 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3hfq n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hfq n LYS 13 N -2.15 0.00 -0.00 1.97 5.02 -1.26 -5.01 118.16 116.73 3hfq n LYS 13 Ca -0.01 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3hfq n LYS 13 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.51 3hfq n LYS 13 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hfq n THR 14 N -1.46 0.00 -2.24 -0.18 -2.24 -1.26 -5.05 114.28 101.85 3hfq n THR 14 Ca 0.00 -0.23 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 3hfq n THR 14 Cb 0.00 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3hfq n THR 14 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hfq s SER 15 N -1.72 6.56 0.00 3.42 0.15 -1.26 -4.95 113.70 115.89 3hfq s SER 15 Ca -0.00 2.43 0.11 0.00 0.70 0.00 0.00 55.95 59.19 3hfq s SER 15 Cb 0.01 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3hfq s SER 15 CO 0.06 -0.66 0.78 0.00 1.20 0.00 0.00 173.24 174.62 3hfq n GLN 16 N 0.23 1.00 0.00 5.44 6.02 -1.26 -4.63 117.38 124.18 3hfq n GLN 16 Ca 0.03 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 3hfq n GLN 16 Cb 0.45 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3hfq n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hfq n GLY 17 N 0.70 -0.11 3.71 1.08 0.00 -1.25 -2.21 105.19 107.11 3hfq n GLY 17 Ca 0.06 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3hfq n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfq s ILE 18 N -0.62 5.33 0.25 -0.61 1.01 -0.31 -4.22 121.20 122.03 3hfq s ILE 18 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.13 3hfq s ILE 18 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3hfq s ILE 18 CO 0.00 0.38 0.17 -0.31 0.00 0.00 0.00 174.94 175.17 3hfq s TYR 19 N 0.66 3.06 0.01 3.97 1.51 -0.83 0.52 117.35 126.26 3hfq s TYR 19 Ca 0.13 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 3hfq s TYR 19 Cb -0.13 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3hfq s TYR 19 CO 0.03 0.53 -0.23 1.14 -1.11 0.00 0.00 175.55 175.91 3hfq s GLN 20 N -3.77 1.70 0.36 -0.62 -2.07 -0.25 0.12 119.66 115.14 3hfq s GLN 20 Ca 0.32 -0.90 0.07 0.00 -1.82 0.00 0.00 55.36 53.04 3hfq s GLN 20 Cb -0.08 -1.73 -0.03 0.00 -1.09 0.00 0.00 33.01 30.08 3hfq s GLN 20 CO 0.24 0.46 0.26 0.20 -1.32 0.00 0.00 175.29 175.13 3hfq s GLY 21 N -0.84 2.46 -0.04 2.60 0.00 0.19 -0.05 107.32 111.65 3hfq s GLY 21 Ca 0.09 -1.90 -0.01 0.00 0.00 0.00 0.00 44.72 42.89 3hfq s GLY 21 CO 0.00 -1.55 0.09 -1.59 0.00 0.00 0.00 173.10 170.05 3hfq s THR 22 N -3.36 -0.06 -0.37 0.90 2.01 -0.04 -0.75 115.64 113.97 3hfq s THR 22 Ca 0.37 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 3hfq s THR 22 Cb 0.02 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.38 3hfq s THR 22 CO 0.26 0.08 0.24 -0.22 -0.69 0.00 0.00 174.62 174.29 3hfq s LEU 23 N 1.14 4.72 -0.51 4.42 2.96 0.59 -1.51 118.68 130.49 3hfq s LEU 23 Ca -0.09 -0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 3hfq s LEU 23 Cb -0.12 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.53 3hfq s LEU 23 CO -0.05 -0.35 0.68 -0.62 -1.32 0.00 0.00 176.35 174.69 3hfq s ASP 24 N 1.64 6.25 0.33 3.68 -1.08 -0.36 -0.85 116.67 126.28 3hfq s ASP 24 Ca 0.04 -0.78 0.26 0.00 -0.52 0.00 0.00 52.55 51.55 3hfq s ASP 24 Cb -0.18 -2.32 1.10 0.00 -1.46 0.00 0.00 42.92 40.06 3hfq s ASP 24 CO 0.08 -0.94 1.78 0.71 0.52 0.00 0.00 175.17 177.33 3hfq h THR 25 N 5.89 0.00 0.01 1.71 1.35 -1.96 0.35 112.91 120.26 3hfq h THR 25 Ca -0.27 -0.28 -0.23 0.00 -0.55 0.00 0.00 66.41 65.08 3hfq h THR 25 Cb 1.09 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 3hfq h THR 25 CO 0.98 0.00 -1.25 0.74 -0.25 0.00 0.00 175.52 175.74 3hfq h THR 26 N 0.00 0.94 0.00 6.82 2.02 -1.96 -3.36 112.91 117.37 3hfq h THR 26 Ca 0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3hfq h THR 26 Cb 0.38 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3hfq h THR 26 CO 0.00 0.36 -0.01 0.00 0.37 0.00 0.00 175.52 176.24 3hfq h ALA 27 N -0.43 1.00 -5.62 6.16 0.00 -1.98 -3.47 119.26 114.91 3hfq h ALA 27 Ca -0.34 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 3hfq h ALA 27 Cb 1.34 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.30 3hfq h ALA 27 CO -0.18 0.00 -0.82 1.63 0.00 0.00 0.00 179.25 179.88 3hfq n LYS 28 N -2.57 -4.33 -4.21 0.00 5.02 0.12 -5.02 118.16 107.17 3hfq n LYS 28 Ca 0.05 0.82 -0.14 0.00 -2.02 0.00 0.00 58.31 57.02 3hfq n LYS 28 Cb 0.47 -5.73 -0.10 0.00 -0.02 0.00 0.00 35.03 29.65 3hfq n LYS 28 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hfq s THR 29 N -3.40 1.02 -0.10 -0.18 -4.23 -1.00 -4.83 115.64 102.92 3hfq s THR 29 Ca 0.22 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 3hfq s THR 29 Cb -0.03 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.23 3hfq s THR 29 CO 0.75 -0.66 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.76 3hfq s LEU 30 N -2.78 1.90 0.01 4.79 2.96 -1.26 -1.23 118.68 123.08 3hfq s LEU 30 Ca 0.11 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3hfq s LEU 30 Cb -0.00 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3hfq s LEU 30 CO -0.00 0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.09 3hfq s THR 31 N 0.60 1.14 -0.45 3.68 2.01 -0.57 -4.96 115.64 117.09 3hfq s THR 31 Ca -0.14 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 3hfq s THR 31 Cb -0.17 -0.98 0.04 0.00 0.01 0.00 0.00 72.50 71.41 3hfq s THR 31 CO 0.04 0.20 0.40 0.21 -0.69 0.00 0.00 174.62 174.79 3hfq s ASN 32 N -0.65 6.15 0.00 3.53 3.84 -1.26 -0.86 114.94 125.69 3hfq s ASN 32 Ca 0.04 -1.02 0.27 0.00 0.21 0.00 0.00 52.86 52.37 3hfq s ASN 32 Cb -0.06 -2.20 1.16 0.00 -0.55 0.00 0.00 41.25 39.59 3hfq s ASN 32 CO 0.00 -0.60 1.87 0.47 -2.79 0.00 0.00 177.10 176.05 3hfq n ASP 33 N 5.38 0.00 0.00 -4.21 8.00 0.93 -4.96 116.55 121.69 3hfq n ASP 33 Ca -0.10 0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3hfq n ASP 33 Cb 0.46 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3hfq n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hfq n GLY 34 N 1.29 1.16 3.71 0.44 0.00 -1.15 -4.95 105.19 105.69 3hfq n GLY 34 Ca 0.07 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 3hfq n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hfq s LEU 35 N 0.00 4.36 -0.18 0.99 2.96 -1.26 -1.08 118.68 124.47 3hfq s LEU 35 Ca 0.00 2.32 -0.05 0.00 -0.22 0.00 0.00 54.13 56.18 3hfq s LEU 35 Cb 0.00 -3.58 -0.22 0.00 0.50 0.00 0.00 46.19 42.89 3hfq s LEU 35 CO 0.00 -0.70 0.13 -0.11 -1.32 0.00 0.00 176.35 174.36 3hfq n LEU 36 N 4.37 2.68 -3.70 -0.68 7.94 0.19 -4.86 117.00 122.93 3hfq n LEU 36 Ca 0.12 0.11 -0.11 0.00 -1.11 0.00 0.00 56.01 55.03 3hfq n LEU 36 Cb 0.42 -1.03 -0.11 0.00 0.53 0.00 0.00 43.42 43.23 3hfq n LEU 36 CO 0.59 0.84 0.06 0.00 -1.11 0.00 0.00 177.39 177.77 3hfq s ALA 37 N -2.53 -1.05 -0.23 1.96 0.00 -0.99 -3.43 121.76 115.48 3hfq s ALA 37 Ca -0.28 1.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.90 3hfq s ALA 37 Cb 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3hfq s ALA 37 CO 0.69 -0.26 0.97 0.00 0.00 0.00 0.00 175.76 177.16 3hfq s ALA 38 N 1.26 3.66 0.15 0.00 0.00 -1.26 -1.16 121.76 124.41 3hfq s ALA 38 Ca -0.08 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 3hfq s ALA 38 Cb -0.08 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.66 3hfq s ALA 38 CO -0.11 -0.98 0.64 -0.08 0.00 0.00 0.00 175.76 175.22 3hfq s THR 39 N 3.02 0.00 -0.11 0.00 -1.32 -0.94 -4.97 115.64 111.32 3hfq s THR 39 Ca 0.41 -0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.59 3hfq s THR 39 Cb -0.15 -1.07 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 3hfq s THR 39 CO 0.07 0.00 0.69 -1.10 -2.21 0.00 0.00 174.62 172.07 3hfq s GLN 40 N -3.69 4.37 -0.85 7.08 1.11 -1.26 -3.87 119.66 122.55 3hfq s GLN 40 Ca 0.02 0.82 -0.24 0.00 0.01 0.00 0.00 55.36 55.97 3hfq s GLN 40 Cb -0.01 -3.49 0.03 0.00 -1.01 0.00 0.00 33.01 28.53 3hfq s GLN 40 CO -0.11 -0.03 0.46 0.09 0.01 0.00 0.00 175.29 175.70 3hfq n ASN 41 N 4.18 -2.72 -4.10 5.90 3.02 -1.26 -3.94 115.26 116.34 3hfq n ASN 41 Ca -0.01 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 3hfq n ASN 41 Cb 0.51 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 3hfq n ASN 41 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3hfq n PRO 42 N -3.81 3.01 0.18 3.52 -0.04 -0.87 -4.59 135.00 132.40 3hfq n PRO 42 Ca -0.08 -2.91 0.14 0.00 -0.04 0.00 0.00 63.50 60.60 3hfq n PRO 42 Cb 0.39 -3.37 0.57 0.00 -0.04 0.00 0.00 33.50 31.05 3hfq n PRO 42 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3hfq h THR 43 N 4.66 0.00 -3.24 0.52 1.35 -1.74 -0.68 112.91 113.78 3hfq h THR 43 Ca 0.51 -0.31 -0.14 0.00 -0.55 0.00 0.00 66.41 65.92 3hfq h THR 43 Cb 0.74 1.12 -0.22 0.00 -1.73 0.00 0.00 68.15 68.06 3hfq h THR 43 CO 1.70 0.00 -0.41 -0.47 -0.25 0.00 0.00 175.52 176.09 3hfq s TYR 44 N -3.45 -0.13 0.10 4.73 5.04 -1.26 -4.31 117.35 118.07 3hfq s TYR 44 Ca 0.03 0.26 0.06 0.00 -2.44 0.00 0.00 57.07 54.98 3hfq s TYR 44 Cb 0.09 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.41 3hfq s TYR 44 CO 0.43 -0.26 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.73 3hfq s LEU 45 N -0.84 2.34 -0.02 6.97 1.43 -1.26 -1.99 118.68 125.32 3hfq s LEU 45 Ca -0.09 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3hfq s LEU 45 Cb -0.05 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.63 3hfq s LEU 45 CO 0.02 -0.11 0.09 0.00 0.23 0.00 0.00 176.35 176.58 3hfq s ALA 46 N -1.74 -0.22 0.07 4.21 0.00 -0.35 -4.82 121.76 118.92 3hfq s ALA 46 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.12 3hfq s ALA 46 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3hfq s ALA 46 CO 0.03 -0.11 -0.22 -0.51 0.00 0.00 0.00 175.76 174.94 3hfq s LEU 47 N -0.59 2.23 0.38 0.00 1.43 -1.26 -1.00 118.68 119.87 3hfq s LEU 47 Ca -0.07 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3hfq s LEU 47 Cb -0.04 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 3hfq s LEU 47 CO 0.00 0.13 0.34 -0.94 0.23 0.00 0.00 176.35 176.12 3hfq s SER 48 N -1.53 5.18 0.55 2.29 1.04 -0.60 -4.77 113.70 115.87 3hfq s SER 48 Ca 0.08 -0.62 0.33 0.00 0.48 0.00 0.00 55.95 56.22 3hfq s SER 48 Cb -0.09 -0.76 1.54 0.00 0.10 0.00 0.00 66.02 66.80 3hfq s SER 48 CO 0.03 -0.51 2.06 0.00 0.98 0.00 0.00 173.24 175.80 3hfq h ALA 49 N 1.12 1.07 -0.27 5.32 0.00 -2.00 -1.97 119.26 122.53 3hfq h ALA 49 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hfq h ALA 49 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hfq h ALA 49 CO 0.57 0.08 0.00 0.36 0.00 0.00 0.00 179.25 180.26 3hfq n LYS 50 N -3.26 2.16 -2.83 0.00 -0.00 -1.26 -4.88 118.16 108.09 3hfq n LYS 50 Ca -0.01 -1.19 -0.18 0.00 -0.00 0.00 0.00 58.31 56.93 3hfq n LYS 50 Cb 0.26 -1.53 0.03 0.00 -0.00 0.00 0.00 35.03 33.79 3hfq n LYS 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hfq n ASP 51 N 0.32 -5.34 -4.87 -5.58 8.00 -0.74 -4.86 116.55 103.48 3hfq n ASP 51 Ca 0.11 -0.21 -0.36 0.00 0.71 0.00 0.00 54.79 55.04 3hfq n ASP 51 Cb 0.45 -4.20 -0.06 0.00 -0.02 0.00 0.00 41.12 37.29 3hfq n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hfq s LEU 53 N -1.57 3.21 -0.14 0.00 2.96 0.23 -1.55 118.68 121.82 3hfq s LEU 53 Ca 0.27 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3hfq s LEU 53 Cb -0.14 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3hfq s LEU 53 CO 0.14 0.35 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.09 3hfq s TYR 54 N -0.70 2.01 0.13 5.38 2.02 -0.17 -0.09 117.35 125.92 3hfq s TYR 54 Ca 0.11 -1.12 0.07 0.00 -0.37 0.00 0.00 57.07 55.76 3hfq s TYR 54 Cb -0.11 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3hfq s TYR 54 CO 0.02 -0.64 -0.18 -1.54 -1.57 0.00 0.00 175.55 171.65 3hfq s SER 55 N 1.54 2.37 0.34 2.29 1.04 -0.46 -1.21 113.70 119.62 3hfq s SER 55 Ca 0.05 -0.78 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 3hfq s SER 55 Cb -0.13 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.76 3hfq s SER 55 CO -0.10 -0.04 1.49 -0.69 0.98 0.00 0.00 173.24 174.88 3hfq s VAL 56 N -1.74 2.16 0.07 5.02 1.01 -0.84 -0.95 120.40 125.13 3hfq s VAL 56 Ca 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3hfq s VAL 56 Cb -0.07 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3hfq s VAL 56 CO 0.05 0.03 0.20 -0.62 0.00 0.00 0.00 175.10 174.76 3hfq s ASP 57 N -0.00 0.08 -0.07 3.32 2.15 0.36 -4.02 116.67 118.48 3hfq s ASP 57 Ca 0.55 -0.54 -0.03 0.00 0.43 0.00 0.00 52.55 52.97 3hfq s ASP 57 Cb -0.46 0.33 0.04 0.00 -0.30 0.00 0.00 42.92 42.52 3hfq s ASP 57 CO 0.57 -0.67 0.06 -0.75 -0.17 0.00 0.00 175.17 174.22 3hfq s LYS 58 N -3.39 -0.01 -0.27 4.34 2.20 -1.25 -0.41 119.74 120.95 3hfq s LYS 58 Ca 0.01 0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 3hfq s LYS 58 Cb 0.03 -0.86 0.06 0.00 -1.51 0.00 0.00 37.83 35.55 3hfq s LYS 58 CO -0.08 -0.41 -0.10 -1.21 -0.36 0.00 0.00 175.35 173.19 3hfq s GLU 59 N 2.15 2.20 7.21 4.03 0.41 0.19 -4.63 118.70 130.26 3hfq s GLU 59 Ca 0.04 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 3hfq s GLU 59 Cb -0.13 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 3hfq s GLU 59 CO -0.05 -0.60 0.00 -0.40 -0.49 0.00 0.00 175.26 173.73 3hfq n ASP 60 N 4.43 0.00 -0.48 -0.19 5.68 -1.26 -0.88 116.55 123.85 3hfq n ASP 60 Ca -0.13 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.22 3hfq n ASP 60 Cb 0.42 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.61 3hfq n ASP 60 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hfq n ASP 61 N 3.45 1.41 -4.47 -1.12 5.75 -1.26 -4.85 116.55 115.46 3hfq n ASP 61 Ca 0.00 -1.89 -0.30 0.00 -0.01 0.00 0.00 54.79 52.58 3hfq n ASP 61 Cb 0.00 -0.15 -0.12 0.00 -1.03 0.00 0.00 41.12 39.82 3hfq n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hfq s GLU 62 N -1.70 2.02 0.24 0.11 2.02 -0.05 -2.57 118.70 118.77 3hfq s GLU 62 Ca 0.22 -1.02 0.11 0.00 0.02 0.00 0.00 54.97 54.30 3hfq s GLU 62 Cb 0.12 -2.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 3hfq s GLU 62 CO 0.16 0.53 -0.13 0.20 0.02 0.00 0.00 175.26 176.04 3hfq s GLY 63 N -1.61 1.76 0.00 -1.39 0.00 -0.43 -0.63 107.32 105.01 3hfq s GLY 63 Ca 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3hfq s GLY 63 CO 0.07 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.04 3hfq n GLY 64 N -0.37 -0.86 3.12 0.20 0.00 0.45 -1.47 105.19 106.26 3hfq n GLY 64 Ca -0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3hfq n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hfq s ILE 65 N -4.00 1.38 -0.09 -0.61 -1.09 -0.64 -0.49 121.20 115.66 3hfq s ILE 65 Ca 0.00 -0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 3hfq s ILE 65 Cb 0.00 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 3hfq s ILE 65 CO 0.00 0.40 0.01 0.00 -1.23 0.00 0.00 174.94 174.12 3hfq s ALA 66 N 0.09 3.31 -0.13 9.38 0.00 -0.13 -1.20 121.76 133.08 3hfq s ALA 66 Ca -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hfq s ALA 66 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 3hfq s ALA 66 CO 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 175.76 176.29 3hfq s ALA 67 N -0.82 2.93 0.06 0.00 0.00 0.17 -1.35 121.76 122.74 3hfq s ALA 67 Ca 0.13 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3hfq s ALA 67 Cb -0.11 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3hfq s ALA 67 CO 0.02 0.30 -0.09 -1.58 0.00 0.00 0.00 175.76 174.41 3hfq s TRP 68 N 0.10 0.85 -0.28 0.00 0.52 0.87 -0.03 118.94 120.96 3hfq s TRP 68 Ca -0.02 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.50 3hfq s TRP 68 Cb -0.14 -0.49 -0.00 0.00 -1.15 0.00 0.00 33.47 31.69 3hfq s TRP 68 CO 0.03 -0.05 0.08 -1.14 0.02 0.00 0.00 176.95 175.90 3hfq s GLN 69 N -1.85 3.26 0.19 4.98 2.00 0.20 0.77 119.66 129.21 3hfq s GLN 69 Ca -0.05 -0.74 -0.30 0.00 -2.00 0.00 0.00 55.36 52.26 3hfq s GLN 69 Cb -0.09 -3.36 -0.08 0.00 0.80 0.00 0.00 33.01 30.28 3hfq s GLN 69 CO 0.01 -0.37 1.13 0.42 -0.50 0.00 0.00 175.29 175.97 3hfq s ILE 70 N 1.54 3.74 -0.31 -2.34 1.01 -0.54 -0.65 121.20 123.64 3hfq s ILE 70 Ca 0.04 1.52 -0.00 0.00 0.00 0.00 0.00 60.65 62.21 3hfq s ILE 70 Cb -0.16 -3.97 0.13 0.00 0.01 0.00 0.00 42.46 38.47 3hfq s ILE 70 CO 0.03 0.27 0.27 -0.62 0.00 0.00 0.00 174.94 174.89 3hfq s ASP 71 N -0.13 2.03 1.54 3.58 2.15 0.60 -4.92 116.67 121.51 3hfq s ASP 71 Ca 0.50 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 52.31 3hfq s ASP 71 Cb -0.31 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 3hfq s ASP 71 CO 0.36 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 3hfq n GLY 72 N 4.95 2.37 1.90 2.66 0.00 -1.26 -2.42 105.19 113.39 3hfq n GLY 72 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 3hfq n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hfq n GLN 73 N 13.09 3.32 -4.12 1.61 6.02 -1.26 -4.92 117.38 131.12 3hfq n GLN 73 Ca 0.00 -2.71 -0.09 0.00 -0.01 0.00 0.00 57.00 54.19 3hfq n GLN 73 Cb 0.00 -2.11 -0.10 0.00 1.02 0.00 0.00 30.24 29.05 3hfq n GLN 73 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3hfq s THR 74 N -2.71 0.11 -0.07 5.09 -1.32 -1.02 -4.68 115.64 111.05 3hfq s THR 74 Ca 0.49 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 59.14 3hfq s THR 74 Cb 0.39 -1.96 0.02 0.00 -1.51 0.00 0.00 72.50 69.44 3hfq s THR 74 CO 0.12 -0.51 -0.11 0.00 -2.21 0.00 0.00 174.62 171.91 3hfq s ALA 75 N -4.02 1.22 -0.22 11.08 0.00 -1.22 -0.29 121.76 128.31 3hfq s ALA 75 Ca 0.21 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.57 3hfq s ALA 75 Cb 0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3hfq s ALA 75 CO 0.00 -0.01 0.56 -1.01 0.00 0.00 0.00 175.76 175.30 3hfq s HIS 76 N 0.91 3.34 0.16 0.00 3.76 0.17 -4.84 115.29 118.79 3hfq s HIS 76 Ca -0.10 0.79 -0.31 0.00 -0.15 0.00 0.00 55.06 55.29 3hfq s HIS 76 Cb -0.15 -2.73 -0.09 0.00 1.11 0.00 0.00 32.58 30.72 3hfq s HIS 76 CO 0.01 -0.18 1.42 0.21 -0.85 0.00 0.00 174.74 175.35 3hfq s LYS 77 N 1.94 4.30 -0.24 1.40 2.20 -1.26 -0.63 119.74 127.45 3hfq s LYS 77 Ca 0.25 2.17 -0.16 0.00 -0.36 0.00 0.00 55.97 57.87 3hfq s LYS 77 Cb -0.16 -3.20 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 3hfq s LYS 77 CO 0.10 -0.44 -0.30 1.28 -0.36 0.00 0.00 175.35 175.62 3hfq n LEU 78 N 3.48 1.94 -3.89 5.43 4.77 0.95 -4.91 117.00 124.78 3hfq n LEU 78 Ca 0.10 0.36 0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3hfq n LEU 78 Cb 0.41 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 3hfq n LEU 78 CO 0.59 0.25 1.09 0.54 -1.33 0.00 0.00 177.39 178.53 3hfq s ASN 79 N -6.88 -0.01 0.06 -1.43 4.22 -1.20 -5.00 114.94 104.70 3hfq s ASN 79 Ca -0.34 -0.19 0.02 0.00 -2.14 0.00 0.00 52.86 50.20 3hfq s ASN 79 Cb 0.10 0.15 -0.03 0.00 1.28 0.00 0.00 41.25 42.75 3hfq s ASN 79 CO 0.47 -0.30 -0.07 0.42 -2.04 0.00 0.00 177.10 175.58 3hfq s THR 80 N -2.12 0.55 -0.30 0.54 -4.23 -1.26 -0.65 115.64 108.17 3hfq s THR 80 Ca 0.25 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3hfq s THR 80 Cb 0.01 -1.11 0.09 0.00 1.34 0.00 0.00 72.50 72.83 3hfq s THR 80 CO -0.01 -0.64 0.06 -0.69 -0.54 0.00 0.00 174.62 172.80 3hfq s VAL 81 N -2.52 1.23 0.28 2.29 1.01 -0.34 -4.98 120.40 117.36 3hfq s VAL 81 Ca 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.50 3hfq s VAL 81 Cb -0.02 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 3hfq s VAL 81 CO -0.03 -0.56 0.01 0.68 0.00 0.00 0.00 175.10 175.20 3hfq s VAL 82 N 1.45 1.21 0.07 2.92 -7.23 -1.26 -1.62 120.40 115.94 3hfq s VAL 82 Ca 0.07 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 3hfq s VAL 82 Cb -0.18 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.25 3hfq s VAL 82 CO -0.18 -0.20 0.32 0.00 -0.31 0.00 0.00 175.10 174.74 3hfq s ALA 83 N -3.30 -0.71 0.14 1.32 0.00 -0.54 -4.92 121.76 113.76 3hfq s ALA 83 Ca 0.32 -0.09 -0.34 0.00 0.00 0.00 0.00 51.96 51.85 3hfq s ALA 83 Cb 0.06 0.45 -0.15 0.00 0.00 0.00 0.00 23.12 23.49 3hfq s ALA 83 CO 0.12 -0.50 1.39 -2.30 0.00 0.00 0.00 175.76 174.47 3hfq n PRO 84 N 0.23 1.58 0.00 0.00 -0.02 -1.26 -1.31 135.00 134.22 3hfq n PRO 84 Ca -0.17 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3hfq n PRO 84 Cb 0.61 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hfq n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfq n GLY 85 N 2.66 0.58 3.79 -1.23 0.00 -1.06 -4.78 105.19 105.15 3hfq n GLY 85 Ca 0.16 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 3hfq n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfq s THR 86 N -0.76 3.61 0.69 2.61 -4.23 -1.26 -1.74 115.64 114.56 3hfq s THR 86 Ca 0.00 0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 3hfq s THR 86 Cb 0.00 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.61 3hfq s THR 86 CO 0.00 -0.53 1.06 -2.84 -0.54 0.00 0.00 174.62 171.77 3hfq s PRO 87 N -4.35 2.98 1.19 3.99 0.02 -1.26 -4.24 135.00 133.32 3hfq s PRO 87 Ca 0.63 0.84 -0.20 0.00 0.02 0.00 0.00 61.00 62.29 3hfq s PRO 87 Cb -0.17 -2.00 0.29 0.00 0.02 0.00 0.00 34.50 32.63 3hfq s PRO 87 CO 0.44 -1.04 1.16 -1.25 -0.33 0.00 0.00 177.00 175.98 3hfq s PRO 88 N -5.11 -1.15 0.00 5.54 0.04 -1.26 -4.69 135.00 128.37 3hfq s PRO 88 Ca 0.58 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.37 3hfq s PRO 88 Cb -0.13 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3hfq s PRO 88 CO 0.54 -3.63 0.09 0.00 0.04 0.00 0.00 177.00 174.04 3hfq n ALA 89 N -4.66 1.89 -3.37 8.56 0.00 0.30 -4.88 120.51 118.36 3hfq n ALA 89 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 3hfq n ALA 89 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 3hfq n ALA 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hfq s TYR 90 N -0.73 -0.41 -0.07 0.00 5.04 -1.19 -4.75 117.35 115.23 3hfq s TYR 90 Ca 0.00 0.76 -0.09 0.00 -2.44 0.00 0.00 57.07 55.31 3hfq s TYR 90 Cb 0.00 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.55 3hfq s TYR 90 CO 0.00 -0.44 0.23 0.54 -1.34 0.00 0.00 175.55 174.53 3hfq s VAL 91 N -0.99 0.02 0.05 3.14 0.11 -1.26 -1.49 120.40 119.98 3hfq s VAL 91 Ca -0.10 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 58.73 3hfq s VAL 91 Cb -0.03 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 3hfq s VAL 91 CO 0.06 -0.07 0.18 0.00 -3.33 0.00 0.00 175.10 171.94 3hfq s ALA 92 N -0.20 -0.29 -0.07 1.54 0.00 0.36 -4.48 121.76 118.63 3hfq s ALA 92 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3hfq s ALA 92 Cb -0.03 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 3hfq s ALA 92 CO 0.01 -0.40 -0.07 0.08 0.00 0.00 0.00 175.76 175.38 3hfq s VAL 93 N -2.96 3.70 -0.40 0.00 1.01 -1.26 -0.16 120.40 120.32 3hfq s VAL 93 Ca -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3hfq s VAL 93 Cb 0.01 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.98 3hfq s VAL 93 CO -0.06 0.60 0.19 -0.62 0.00 0.00 0.00 175.10 175.21 3hfq s ASP 94 N -0.81 5.28 0.08 3.32 -1.08 0.71 -4.98 116.67 119.19 3hfq s ASP 94 Ca 0.12 -1.83 -0.20 0.00 -0.52 0.00 0.00 52.55 50.12 3hfq s ASP 94 Cb -0.11 -1.85 -0.10 0.00 -1.46 0.00 0.00 42.92 39.41 3hfq s ASP 94 CO 0.01 -0.51 1.57 -0.33 0.52 0.00 0.00 175.17 176.43 3hfq h GLU 95 N 8.12 0.32 -0.77 4.34 4.39 -1.97 0.19 114.58 129.19 3hfq h GLU 95 Ca -0.16 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 3hfq h GLU 95 Cb 1.06 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 3hfq h GLU 95 CO 0.69 0.45 0.34 0.00 -1.16 0.00 0.00 179.01 179.33 3hfq h ALA 96 N 0.85 1.14 -0.00 3.43 0.00 -1.97 -2.91 119.26 119.79 3hfq h ALA 96 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hfq h ALA 96 Cb 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hfq h ALA 96 CO 0.00 0.63 -0.64 0.54 0.00 0.00 0.00 179.25 179.78 3hfq n ARG 97 N -4.30 0.30 -3.47 0.00 1.74 -1.23 -4.99 116.66 104.72 3hfq n ARG 97 Ca 0.07 -0.22 -0.22 0.00 -0.77 0.00 0.00 57.85 56.71 3hfq n ARG 97 Cb 0.16 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3hfq n ARG 97 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hfq n GLN 98 N -1.16 -2.20 -4.25 5.56 1.13 0.59 -4.88 117.38 112.17 3hfq n GLN 98 Ca 0.06 0.68 -0.14 0.00 -1.94 0.00 0.00 57.00 55.66 3hfq n GLN 98 Cb 0.35 -5.08 -0.10 0.00 0.11 0.00 0.00 30.24 25.52 3hfq n GLN 98 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hfq s LEU 99 N -5.97 2.34 -0.05 1.08 1.43 -0.79 -1.36 118.68 115.35 3hfq s LEU 99 Ca 0.41 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3hfq s LEU 99 Cb -0.10 -0.20 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3hfq s LEU 99 CO 0.80 -0.46 -0.14 -0.69 0.23 0.00 0.00 176.35 176.09 3hfq s VAL 100 N -3.49 1.22 0.04 -1.59 1.01 -1.26 -0.21 120.40 116.12 3hfq s VAL 100 Ca 0.20 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3hfq s VAL 100 Cb 0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3hfq s VAL 100 CO 0.02 0.37 -0.09 -0.31 0.00 0.00 0.00 175.10 175.09 3hfq s TYR 101 N 0.37 2.80 0.02 5.22 2.02 0.77 -4.36 117.35 124.19 3hfq s TYR 101 Ca -0.09 -0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.44 3hfq s TYR 101 Cb -0.13 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3hfq s TYR 101 CO 0.03 0.37 0.11 -1.54 -1.57 0.00 0.00 175.55 172.95 3hfq s SER 102 N -1.64 0.10 -0.06 2.29 1.04 -0.70 -0.49 113.70 114.24 3hfq s SER 102 Ca 0.18 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.31 3hfq s SER 102 Cb -0.11 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 3hfq s SER 102 CO 0.09 -0.42 -0.21 0.00 0.98 0.00 0.00 173.24 173.69 3hfq s ALA 103 N -1.84 2.37 -0.23 5.32 0.00 -0.55 -1.25 121.76 125.57 3hfq s ALA 103 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3hfq s ALA 103 Cb -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.29 3hfq s ALA 103 CO -0.01 0.46 -0.11 1.21 0.00 0.00 0.00 175.76 177.31 3hfq s ASN 104 N -0.35 4.00 0.06 0.00 3.84 -0.55 0.11 114.94 122.05 3hfq s ASN 104 Ca 0.02 -0.92 -0.33 0.00 0.21 0.00 0.00 52.86 51.84 3hfq s ASN 104 Cb -0.12 -1.59 -0.19 0.00 -0.55 0.00 0.00 41.25 38.80 3hfq s ASN 104 CO 0.02 -0.10 1.51 0.22 -2.79 0.00 0.00 177.10 175.96 3hfq h TYR 105 N 7.94 -0.97 -0.28 0.43 5.03 -1.74 -1.81 116.97 125.57 3hfq h TYR 105 Ca -0.34 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 60.88 3hfq h TYR 105 Cb 1.10 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.69 3hfq h TYR 105 CO 0.56 -0.59 -0.15 0.45 -1.32 0.00 0.00 178.16 177.11 3hfq h HIS 106 N -1.10 0.53 0.00 -3.82 -0.00 -1.88 -3.16 115.15 105.72 3hfq h HIS 106 Ca -0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 3hfq h HIS 106 Cb 0.81 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 3hfq h HIS 106 CO -0.01 0.62 -0.68 0.87 -0.00 0.00 0.00 177.93 178.73 3hfq h LYS 107 N 0.45 0.00 -2.01 2.45 1.57 -1.84 -3.48 116.57 113.71 3hfq h LYS 107 Ca 0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 3hfq h LYS 107 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 3hfq h LYS 107 CO 0.03 0.00 -0.29 0.41 -0.57 0.00 0.00 179.45 179.03 3hfq n GLY 108 N 1.32 -0.01 3.54 3.86 0.00 -0.69 -4.77 105.19 108.44 3hfq n GLY 108 Ca 0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3hfq n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfq s THR 109 N -2.69 2.72 -0.10 2.61 -4.23 -1.14 -1.24 115.64 111.57 3hfq s THR 109 Ca 0.07 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3hfq s THR 109 Cb -0.03 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.29 3hfq s THR 109 CO 0.09 -0.35 -0.13 0.00 -0.54 0.00 0.00 174.62 173.69 3hfq s ALA 110 N -2.47 1.53 0.18 3.99 0.00 -0.67 -1.48 121.76 122.83 3hfq s ALA 110 Ca 0.31 -0.62 0.09 0.00 0.00 0.00 0.00 51.96 51.74 3hfq s ALA 110 Cb -0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3hfq s ALA 110 CO 0.17 -0.07 -0.18 -1.83 0.00 0.00 0.00 175.76 173.85 3hfq s GLU 111 N 0.99 1.33 0.44 0.00 1.03 -0.38 -0.33 118.70 121.78 3hfq s GLU 111 Ca -0.07 -1.48 0.03 0.00 0.03 0.00 0.00 54.97 53.48 3hfq s GLU 111 Cb -0.15 -1.34 -0.02 0.00 -0.80 0.00 0.00 34.13 31.82 3hfq s GLU 111 CO -0.01 0.26 0.11 0.08 -1.33 0.00 0.00 175.26 174.37 3hfq s VAL 112 N -2.25 0.67 -0.00 1.83 1.01 0.04 -1.73 120.40 119.97 3hfq s VAL 112 Ca 0.18 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.18 3hfq s VAL 112 Cb -0.05 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3hfq s VAL 112 CO 0.07 0.00 -0.04 -0.75 0.00 0.00 0.00 175.10 174.38 3hfq s LYS 114 N -3.72 0.34 -0.18 2.72 2.20 0.68 -1.17 119.74 120.60 3hfq s LYS 114 Ca 0.19 -0.17 -0.20 0.00 -0.36 0.00 0.00 55.97 55.43 3hfq s LYS 114 Cb 0.02 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.99 3hfq s LYS 114 CO 0.12 0.08 0.57 0.42 -0.36 0.00 0.00 175.35 176.19 3hfq s ILE 115 N -0.16 5.07 0.97 5.43 1.01 -0.46 -1.95 121.20 131.11 3hfq s ILE 115 Ca 0.01 1.08 -0.16 0.00 0.00 0.00 0.00 60.65 61.58 3hfq s ILE 115 Cb -0.02 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.75 3hfq s ILE 115 CO -0.00 0.16 1.27 0.00 0.00 0.00 0.00 174.94 176.37 3hfq s ALA 116 N 1.62 2.08 0.34 9.38 0.00 0.12 -4.89 121.76 130.41 3hfq s ALA 116 Ca 0.27 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3hfq s ALA 116 Cb -0.16 -2.82 0.73 0.00 0.00 0.00 0.00 23.12 20.87 3hfq s ALA 116 CO 0.10 -2.47 1.89 0.00 0.00 0.00 0.00 175.76 175.28 3hfq h ALA 117 N -1.67 1.73 -0.54 0.00 0.00 -1.98 -1.48 119.26 115.32 3hfq h ALA 117 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hfq h ALA 117 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hfq h ALA 117 CO 0.42 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 3hfq n ASP 118 N -4.54 3.15 0.00 0.00 5.75 -1.26 -4.93 116.55 114.72 3hfq n ASP 118 Ca 0.16 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3hfq n ASP 118 Cb 0.37 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3hfq n ASP 118 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfq n GLY 119 N 1.44 0.37 3.75 6.12 0.00 -0.56 -4.96 105.19 111.35 3hfq n GLY 119 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3hfq n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfq s ALA 120 N -2.12 2.21 0.13 4.61 0.00 -1.26 -4.56 121.76 120.76 3hfq s ALA 120 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.57 3hfq s ALA 120 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3hfq s ALA 120 CO 0.00 -1.73 -0.06 -0.51 0.00 0.00 0.00 175.76 173.46 3hfq s LEU 121 N -5.45 3.17 -0.04 0.00 1.43 -1.26 0.12 118.68 116.64 3hfq s LEU 121 Ca 0.67 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3hfq s LEU 121 Cb -0.21 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.12 3hfq s LEU 121 CO 0.49 0.15 0.01 -0.89 0.23 0.00 0.00 176.35 176.34 3hfq s THR 122 N -1.40 0.15 0.30 5.49 2.01 -0.82 -4.84 115.64 116.52 3hfq s THR 122 Ca 0.24 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 3hfq s THR 122 Cb -0.11 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.01 3hfq s THR 122 CO 0.16 0.17 1.42 -0.22 -0.69 0.00 0.00 174.62 175.46 3hfq s LEU 123 N 1.37 4.38 0.00 4.42 2.96 -1.26 -0.23 118.68 130.32 3hfq s LEU 123 Ca -0.05 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 3hfq s LEU 123 Cb -0.13 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3hfq s LEU 123 CO -0.03 -0.70 0.00 0.35 -1.32 0.00 0.00 176.35 174.66 3hfq n THR 124 N 1.59 0.00 -3.63 3.68 -2.24 -0.31 -4.86 114.28 108.50 3hfq n THR 124 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 3hfq n THR 124 Cb 0.40 -0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 3hfq n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfq s ASP 125 N -2.42 -0.57 -0.18 3.42 2.15 -1.11 -4.89 116.67 113.07 3hfq s ASP 125 Ca 0.00 0.87 -0.04 0.00 0.43 0.00 0.00 52.55 53.81 3hfq s ASP 125 Cb 0.00 0.85 0.06 0.00 -0.30 0.00 0.00 42.92 43.53 3hfq s ASP 125 CO 0.00 -0.38 0.07 -0.89 -0.17 0.00 0.00 175.17 173.80 3hfq s THR 126 N -0.45 0.17 -0.20 1.71 2.01 -1.26 -0.78 115.64 116.84 3hfq s THR 126 Ca -0.06 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 3hfq s THR 126 Cb -0.03 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3hfq s THR 126 CO 0.04 -0.25 0.30 -0.69 -0.69 0.00 0.00 174.62 173.34 3hfq s VAL 127 N 2.02 5.28 -0.11 3.82 1.01 0.56 -4.94 120.40 128.03 3hfq s VAL 127 Ca 0.01 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 3hfq s VAL 127 Cb -0.16 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3hfq s VAL 127 CO -0.09 0.32 0.30 -1.58 0.00 0.00 0.00 175.10 174.06 3hfq s GLN 128 N 0.97 4.01 0.30 2.72 2.00 -1.26 -1.66 119.66 126.73 3hfq s GLN 128 Ca 0.15 0.15 0.11 0.00 -2.00 0.00 0.00 55.36 53.76 3hfq s GLN 128 Cb -0.14 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.30 3hfq s GLN 128 CO 0.06 0.47 -0.11 -1.01 -0.50 0.00 0.00 175.29 174.19 3hfq s HIS 129 N -0.24 2.43 0.09 1.67 3.76 -0.38 -5.02 115.29 117.61 3hfq s HIS 129 Ca 0.18 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 3hfq s HIS 129 Cb -0.14 -1.20 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 3hfq s HIS 129 CO 0.07 0.63 0.11 -1.54 -0.85 0.00 0.00 174.74 173.16 3hfq s SER 130 N -3.60 0.26 0.00 1.40 1.04 -1.26 -4.73 113.70 106.81 3hfq s SER 130 Ca 0.32 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3hfq s SER 130 Cb -0.03 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3hfq s SER 130 CO 0.17 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3hfq n GLY 131 N -0.04 1.02 3.84 7.32 0.00 -1.26 -4.81 105.19 111.26 3hfq n GLY 131 Ca -0.12 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 3hfq n GLY 131 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hfq s HIS 132 N -1.05 0.07 0.30 1.61 -3.43 -1.25 -2.34 115.29 109.20 3hfq s HIS 132 Ca 0.00 -0.61 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 3hfq s HIS 132 Cb 0.00 0.77 -0.02 0.00 -1.43 0.00 0.00 32.58 31.90 3hfq s HIS 132 CO 0.00 -1.26 0.30 0.20 -2.00 0.00 0.00 174.74 171.98 3hfq s GLY 133 N -3.18 1.84 0.33 -1.38 0.00 -0.51 -4.41 107.32 100.01 3hfq s GLY 133 Ca 0.17 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.17 3hfq s GLY 133 CO 0.08 -1.30 1.78 -0.56 0.00 0.00 0.00 173.10 173.11 3hfq h PRO 134 N 2.25 0.25 -7.12 2.90 0.13 -1.90 -3.44 132.00 125.07 3hfq h PRO 134 Ca -0.28 -0.09 -0.47 0.00 -0.87 0.00 0.00 66.00 64.28 3hfq h PRO 134 Cb 1.24 -0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.38 3hfq h PRO 134 CO 0.41 0.53 0.38 1.03 -0.23 0.00 0.00 178.00 180.11 3hfq s ARG 135 N -4.38 3.74 0.40 0.86 0.52 -1.26 -4.95 118.95 113.88 3hfq s ARG 135 Ca -0.05 1.24 0.16 0.00 -0.52 0.00 0.00 55.73 56.57 3hfq s ARG 135 Cb 0.14 -2.09 1.04 0.00 0.52 0.00 0.00 34.95 34.56 3hfq s ARG 135 CO 0.76 -0.47 1.84 -1.35 0.02 0.00 0.00 175.30 176.10 3hfq h PRO 136 N 1.22 0.44 0.00 3.54 0.11 -2.03 0.12 132.00 135.40 3hfq h PRO 136 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hfq h PRO 136 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hfq h PRO 136 CO 0.59 0.29 0.00 0.93 -0.21 0.00 0.00 178.00 179.60 3hfq h GLU 137 N 0.45 0.00 -2.14 1.05 3.07 -1.95 -3.33 114.58 111.74 3hfq h GLU 137 Ca 0.49 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.59 3hfq h GLU 137 Cb 1.15 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.81 3hfq h GLU 137 CO -0.20 0.00 1.09 1.04 -1.40 0.00 0.00 179.01 179.54 3hfq n GLN 138 N -2.57 3.87 0.13 2.33 6.02 0.41 -4.63 117.38 122.94 3hfq n GLN 138 Ca 0.02 -3.85 0.13 0.00 -0.01 0.00 0.00 57.00 53.29 3hfq n GLN 138 Cb 0.31 -2.36 0.41 0.00 1.02 0.00 0.00 30.24 29.63 3hfq n GLN 138 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3hfq h ASP 139 N 3.57 0.00 -1.77 1.08 -0.00 -1.75 -1.36 116.42 116.18 3hfq h ASP 139 Ca 0.55 0.00 0.17 0.00 -0.00 0.00 0.00 57.03 57.75 3hfq h ASP 139 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.51 3hfq h ASP 139 CO 1.30 0.00 0.50 0.61 -0.00 0.00 0.00 179.24 181.65 3hfq n GLY 140 N 0.95 0.61 3.74 7.15 0.00 -1.26 -4.87 105.19 111.52 3hfq n GLY 140 Ca 0.04 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3hfq n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hfq s SER 141 N -2.82 6.56 -0.31 1.61 0.15 -0.99 -4.20 113.70 113.71 3hfq s SER 141 Ca 0.18 2.73 -0.03 0.00 0.70 0.00 0.00 55.95 59.54 3hfq s SER 141 Cb -0.01 -2.62 0.11 0.00 -1.71 0.00 0.00 66.02 61.78 3hfq s SER 141 CO 0.02 -0.79 0.14 -1.00 1.20 0.00 0.00 173.24 172.81 3hfq s HIS 142 N 0.28 0.67 -0.02 3.44 3.76 -1.26 -3.62 115.29 118.55 3hfq s HIS 142 Ca 0.63 -1.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 3hfq s HIS 142 Cb -0.44 -1.07 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 3hfq s HIS 142 CO 0.41 -0.84 0.96 0.42 -0.85 0.00 0.00 174.74 174.84 3hfq s ILE 143 N 1.81 4.88 0.00 0.60 -1.09 -1.20 -0.04 121.20 126.15 3hfq s ILE 143 Ca 0.11 2.00 0.00 0.00 -2.23 0.00 0.00 60.65 60.53 3hfq s ILE 143 Cb -0.17 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3hfq s ILE 143 CO -0.28 0.15 0.27 1.57 -1.23 0.00 0.00 174.94 175.42 3hfq n HIS 144 N 4.03 0.00 -3.66 3.97 -0.00 -0.31 -2.32 115.22 116.92 3hfq n HIS 144 Ca 0.06 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.13 3hfq n HIS 144 Cb 0.51 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.30 3hfq n HIS 144 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 3hfq s TYR 145 N -0.15 -0.79 -0.30 1.57 6.14 -1.25 -4.64 117.35 117.93 3hfq s TYR 145 Ca 0.00 1.73 -0.01 0.00 0.64 0.00 0.00 57.07 59.44 3hfq s TYR 145 Cb 0.00 0.37 0.13 0.00 0.42 0.00 0.00 41.96 42.88 3hfq s TYR 145 CO 0.00 -0.39 0.27 0.95 0.64 0.00 0.00 175.55 177.02 3hfq s THR 146 N 0.96 -0.30 0.12 4.34 -4.23 -1.25 -1.58 115.64 113.70 3hfq s THR 146 Ca -0.05 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.66 3hfq s THR 146 Cb -0.05 -0.95 0.01 0.00 1.34 0.00 0.00 72.50 72.85 3hfq s THR 146 CO -0.09 -0.56 0.31 -0.62 -0.54 0.00 0.00 174.62 173.12 3hfq s ASP 147 N 2.11 -0.05 0.42 3.99 -1.08 -0.86 -4.52 116.67 116.68 3hfq s ASP 147 Ca 0.11 -0.55 -0.26 0.00 -0.52 0.00 0.00 52.55 51.34 3hfq s ASP 147 Cb -0.15 0.42 -0.08 0.00 -1.46 0.00 0.00 42.92 41.65 3hfq s ASP 147 CO -0.28 -0.83 1.32 -0.76 0.52 0.00 0.00 175.17 175.14 3hfq s LEU 148 N -2.86 4.17 0.59 -1.34 1.43 -1.26 -0.69 118.68 118.73 3hfq s LEU 148 Ca 0.06 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3hfq s LEU 148 Cb 0.03 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.36 3hfq s LEU 148 CO -0.09 -0.93 0.83 0.42 0.23 0.00 0.00 176.35 176.80 3hfq s THR 149 N -1.27 2.54 0.48 5.49 -4.23 -0.09 -4.82 115.64 113.75 3hfq s THR 149 Ca 0.58 -0.62 0.15 0.00 -1.18 0.00 0.00 61.69 60.62 3hfq s THR 149 Cb -0.39 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 70.83 3hfq s THR 149 CO 0.49 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 176.00 3hfq h PRO 150 N -0.08 0.19 -0.88 3.99 0.11 -1.89 -1.63 132.00 131.82 3hfq h PRO 150 Ca -0.41 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.29 3hfq h PRO 150 Cb 1.29 -0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.12 3hfq h PRO 150 CO 0.51 0.13 0.49 -0.40 -0.21 0.00 0.00 178.00 178.52 3hfq n ASP 151 N -4.49 4.08 -2.00 -2.05 3.85 -1.26 -4.94 116.55 109.74 3hfq n ASP 151 Ca 0.03 -3.48 -0.19 0.00 -0.71 0.00 0.00 54.79 50.44 3hfq n ASP 151 Cb 0.21 -0.80 -0.02 0.00 -1.35 0.00 0.00 41.12 39.16 3hfq n ASP 151 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3hfq n ASN 152 N -0.80 -5.36 -4.70 -1.12 4.13 -0.61 -5.03 115.26 101.76 3hfq n ASN 152 Ca 0.52 0.06 -0.21 0.00 1.68 0.00 0.00 54.58 56.63 3hfq n ASN 152 Cb 1.55 -4.43 0.10 0.00 -1.54 0.00 0.00 39.78 35.46 3hfq n ASN 152 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3hfq n ARG 153 N -2.73 0.19 -4.23 3.52 1.74 -1.26 -4.64 116.66 109.24 3hfq n ARG 153 Ca -0.21 -2.88 -0.33 0.00 -0.77 0.00 0.00 57.85 53.65 3hfq n ARG 153 Cb 0.66 -0.48 -0.15 0.00 -1.02 0.00 0.00 32.46 31.46 3hfq n ARG 153 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hfq s LEU 154 N 0.00 2.36 -0.09 0.55 2.96 0.14 -0.92 118.68 123.68 3hfq s LEU 154 Ca 0.64 -0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 53.78 3hfq s LEU 154 Cb -0.04 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3hfq s LEU 154 CO 0.42 0.02 0.62 0.00 -1.32 0.00 0.00 176.35 176.09 3hfq s ALA 155 N 1.16 3.39 -0.13 5.97 0.00 0.13 -0.01 121.76 132.28 3hfq s ALA 155 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3hfq s ALA 155 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3hfq s ALA 155 CO -0.07 -0.09 -0.12 0.08 0.00 0.00 0.00 175.76 175.56 3hfq s VAL 156 N 0.80 1.38 -0.21 0.00 1.01 0.64 -2.02 120.40 122.00 3hfq s VAL 156 Ca 0.33 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3hfq s VAL 156 Cb -0.17 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3hfq s VAL 156 CO 0.15 0.43 0.08 -0.63 0.00 0.00 0.00 175.10 175.12 3hfq s ILE 157 N 1.45 4.69 -0.44 2.22 1.01 -0.61 0.10 121.20 129.62 3hfq s ILE 157 Ca 0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 3hfq s ILE 157 Cb -0.13 -3.15 0.10 0.00 0.01 0.00 0.00 42.46 39.29 3hfq s ILE 157 CO -0.08 0.40 0.30 -0.62 0.00 0.00 0.00 174.94 174.94 3hfq s ASP 158 N 0.90 5.65 0.34 3.58 -1.08 0.04 -1.16 116.67 124.94 3hfq s ASP 158 Ca 0.04 -1.72 0.07 0.00 -0.52 0.00 0.00 52.55 50.42 3hfq s ASP 158 Cb -0.14 -1.99 0.63 0.00 -1.46 0.00 0.00 42.92 39.96 3hfq s ASP 158 CO 0.03 -0.61 1.83 0.25 0.52 0.00 0.00 175.17 177.18 3hfq h LEU 159 N 8.41 0.28 -0.67 -1.34 6.46 -0.44 -1.90 115.31 126.11 3hfq h LEU 159 Ca -0.22 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.33 3hfq h LEU 159 Cb 1.08 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 3hfq h LEU 159 CO 0.80 0.51 -0.64 1.23 -0.62 0.00 0.00 178.44 179.73 3hfq h GLY 160 N 0.93 0.00 -1.08 3.75 0.00 -1.73 -3.30 103.07 101.64 3hfq h GLY 160 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3hfq h GLY 160 CO 0.04 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.44 3hfq n SER 161 N -3.71 2.23 -3.54 0.19 3.41 -1.18 -1.69 113.62 109.34 3hfq n SER 161 Ca -0.01 -1.61 -0.21 0.00 -0.26 0.00 0.00 58.87 56.78 3hfq n SER 161 Cb 0.65 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.63 3hfq n SER 161 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hfq n ASP 162 N 0.68 -3.94 -4.21 4.04 8.00 -0.75 -4.80 116.55 115.57 3hfq n ASP 162 Ca 0.08 -0.60 -0.20 0.00 0.71 0.00 0.00 54.79 54.78 3hfq n ASP 162 Cb 0.34 -4.98 -0.12 0.00 -0.02 0.00 0.00 41.12 36.33 3hfq n ASP 162 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hfq s LYS 163 N -5.85 0.93 -0.22 -1.24 1.02 -0.99 -4.45 119.74 108.94 3hfq s LYS 163 Ca 0.27 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3hfq s LYS 163 Cb -0.12 -0.97 0.05 0.00 -0.52 0.00 0.00 37.83 36.27 3hfq s LYS 163 CO 0.74 0.21 -0.06 0.08 -0.92 0.00 0.00 175.35 175.40 3hfq s VAL 164 N -1.42 1.49 0.17 3.17 1.01 0.17 -0.78 120.40 124.20 3hfq s VAL 164 Ca 0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 3hfq s VAL 164 Cb -0.09 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 3hfq s VAL 164 CO 0.03 -0.02 0.43 -0.31 0.00 0.00 0.00 175.10 175.22 3hfq s TYR 165 N 1.43 3.46 -0.11 5.22 2.02 0.11 -0.80 117.35 128.68 3hfq s TYR 165 Ca -0.04 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.32 3hfq s TYR 165 Cb -0.18 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 3hfq s TYR 165 CO -0.07 0.39 -0.14 0.08 -1.57 0.00 0.00 175.55 174.24 3hfq s VAL 166 N -1.70 1.42 0.06 0.71 1.01 -0.51 -0.26 120.40 121.13 3hfq s VAL 166 Ca 0.43 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3hfq s VAL 166 Cb -0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3hfq s VAL 166 CO 0.24 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.25 3hfq s TYR 167 N 1.10 2.49 0.19 5.22 2.02 0.98 -0.11 117.35 129.23 3hfq s TYR 167 Ca -0.05 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 3hfq s TYR 167 Cb -0.14 -1.41 -0.07 0.00 -0.40 0.00 0.00 41.96 39.93 3hfq s TYR 167 CO -0.03 0.26 0.60 -0.80 -1.57 0.00 0.00 175.55 174.01 3hfq s ASN 168 N -1.59 6.83 -0.09 2.29 0.01 0.11 0.25 114.94 122.76 3hfq s ASN 168 Ca 0.15 1.14 0.04 0.00 -0.71 0.00 0.00 52.86 53.47 3hfq s ASN 168 Cb -0.10 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3hfq s ASN 168 CO 0.06 0.03 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.77 3hfq s VAL 169 N -1.59 2.29 0.43 1.60 1.01 -1.26 -1.47 120.40 121.42 3hfq s VAL 169 Ca 0.42 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3hfq s VAL 169 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3hfq s VAL 169 CO 0.20 0.56 0.62 -0.94 0.00 0.00 0.00 175.10 175.53 3hfq s SER 170 N 0.11 5.77 0.47 3.32 1.04 -0.63 -4.94 113.70 118.84 3hfq s SER 170 Ca -0.11 0.03 0.15 0.00 0.48 0.00 0.00 55.95 56.51 3hfq s SER 170 Cb -0.16 -1.26 1.10 0.00 0.10 0.00 0.00 66.02 65.80 3hfq s SER 170 CO 0.06 -0.70 2.04 0.44 0.98 0.00 0.00 173.24 176.07 3hfq h ASP 171 N 0.51 0.00 -0.00 7.02 3.32 -1.96 -1.24 116.42 124.07 3hfq h ASP 171 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hfq h ASP 171 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3hfq h ASP 171 CO 0.54 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 3hfq n ALA 172 N -2.51 2.62 -2.29 3.45 0.00 -1.26 -4.88 120.51 115.65 3hfq n ALA 172 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3hfq n ALA 172 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3hfq n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfq n GLY 173 N 0.83 0.82 3.56 0.00 0.00 -0.47 -4.91 105.19 105.03 3hfq n GLY 173 Ca 0.16 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3hfq n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hfq s GLN 174 N -4.59 3.07 -0.10 1.61 -1.52 -1.25 -4.12 119.66 112.76 3hfq s GLN 174 Ca 0.00 -0.53 -0.08 0.00 -1.95 0.00 0.00 55.36 52.81 3hfq s GLN 174 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 3hfq s GLN 174 CO 0.00 0.53 0.17 -0.51 -0.25 0.00 0.00 175.29 175.24 3hfq s LEU 175 N -0.44 4.40 -0.06 2.90 1.43 -1.26 -1.60 118.68 124.05 3hfq s LEU 175 Ca 0.07 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3hfq s LEU 175 Cb -0.12 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.98 3hfq s LEU 175 CO 0.02 0.39 0.10 -0.55 0.23 0.00 0.00 176.35 176.55 3hfq s SER 176 N -1.07 0.66 0.23 2.29 0.15 -0.54 -4.95 113.70 110.48 3hfq s SER 176 Ca 0.17 0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.70 3hfq s SER 176 Cb -0.13 0.06 -0.14 0.00 -1.71 0.00 0.00 66.02 64.11 3hfq s SER 176 CO 0.06 -0.22 1.38 1.21 1.20 0.00 0.00 173.24 176.87 3hfq n GLU 177 N 4.99 1.95 -0.04 5.44 2.13 -1.26 0.07 120.64 133.91 3hfq n GLU 177 Ca -0.11 0.69 -0.05 0.00 0.66 0.00 0.00 57.16 58.35 3hfq n GLU 177 Cb 0.50 -2.33 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 3hfq n GLU 177 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3hfq n GLN 178 N 1.97 0.90 -3.57 5.31 -0.06 0.84 -4.78 117.38 117.99 3hfq n GLN 178 Ca 0.12 0.04 -0.07 0.00 -2.00 0.00 0.00 57.00 55.08 3hfq n GLN 178 Cb 0.31 -1.17 -0.02 0.00 -4.06 0.00 0.00 30.24 25.30 3hfq n GLN 178 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hfq s SER 179 N -4.57 -0.34 -0.07 1.69 1.04 -1.06 -4.96 113.70 105.44 3hfq s SER 179 Ca -0.09 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 3hfq s SER 179 Cb 0.03 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.63 3hfq s SER 179 CO 0.22 -0.75 0.12 -0.69 0.98 0.00 0.00 173.24 173.12 3hfq s VAL 180 N -3.25 -0.19 -0.13 5.02 1.01 -1.26 -1.42 120.40 120.17 3hfq s VAL 180 Ca 0.07 0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 3hfq s VAL 180 Cb -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 3hfq s VAL 180 CO -0.06 0.14 0.08 -0.22 0.00 0.00 0.00 175.10 175.04 3hfq s LEU 181 N 2.24 4.00 0.52 3.92 2.96 0.02 -4.94 118.68 127.39 3hfq s LEU 181 Ca 0.04 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3hfq s LEU 181 Cb -0.12 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3hfq s LEU 181 CO -0.05 0.32 0.34 -0.89 -1.32 0.00 0.00 176.35 174.75 3hfq s THR 182 N -0.52 1.77 0.15 3.68 2.01 -1.26 -0.65 115.64 120.80 3hfq s THR 182 Ca 0.11 -1.55 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 3hfq s THR 182 Cb -0.12 -2.32 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 3hfq s THR 182 CO 0.02 0.00 0.74 -1.83 -0.69 0.00 0.00 174.62 172.86 3hfq s GLU 184 N -4.19 4.51 0.11 4.92 -1.05 -1.26 -5.01 118.70 116.72 3hfq s GLU 184 Ca 0.33 1.09 -0.34 0.00 -0.15 0.00 0.00 54.97 55.90 3hfq s GLU 184 Cb -0.01 -3.26 -0.13 0.00 -0.44 0.00 0.00 34.13 30.28 3hfq s GLU 184 CO 0.20 0.57 1.64 0.00 0.95 0.00 0.00 175.26 178.62 3hfq n ALA 185 N 1.67 1.24 -0.09 -0.84 0.00 -1.26 -1.82 120.51 119.41 3hfq n ALA 185 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hfq n ALA 185 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3hfq n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfq n GLY 186 N 3.61 0.74 0.14 0.00 0.00 -1.26 -4.95 105.19 103.47 3hfq n GLY 186 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3hfq n GLY 186 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hfq h PHE 187 N 0.00 0.06 -3.92 1.61 3.57 -1.75 -3.33 116.94 113.18 3hfq h PHE 187 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3hfq h PHE 187 Cb 0.00 0.02 0.09 0.00 2.79 0.00 0.00 35.95 38.84 3hfq h PHE 187 CO 0.00 -0.00 -0.38 0.41 -2.23 0.00 0.00 178.31 176.10 3hfq n GLY 188 N -1.21 0.00 3.70 2.40 0.00 -1.26 -2.49 105.19 106.32 3hfq n GLY 188 Ca -0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3hfq n GLY 188 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hfq n PRO 189 N -2.40 2.16 0.02 1.61 -0.04 -1.26 -0.91 135.00 134.18 3hfq n PRO 189 Ca -0.09 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 3hfq n PRO 189 Cb 0.57 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3hfq n PRO 189 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3hfq n ARG 190 N 1.00 0.00 -4.31 0.54 0.63 0.09 -3.27 116.66 111.34 3hfq n ARG 190 Ca 0.06 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.83 3hfq n ARG 190 Cb 0.35 -0.15 -0.10 0.00 0.45 0.00 0.00 32.46 33.01 3hfq n ARG 190 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3hfq s HIS 191 N -1.32 1.52 0.20 -0.14 3.76 -1.25 -4.05 115.29 114.01 3hfq s HIS 191 Ca 0.00 -0.77 -0.05 0.00 -0.15 0.00 0.00 55.06 54.09 3hfq s HIS 191 Cb 0.00 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 3hfq s HIS 191 CO 0.00 0.12 0.23 -0.48 -0.85 0.00 0.00 174.74 173.76 3hfq s LEU 192 N -3.27 1.01 -0.12 0.89 0.05 -1.26 -0.81 118.68 115.17 3hfq s LEU 192 Ca 0.23 -1.17 -0.11 0.00 0.05 0.00 0.00 54.13 53.13 3hfq s LEU 192 Cb 0.03 0.83 0.03 0.00 -2.05 0.00 0.00 46.19 45.03 3hfq s LEU 192 CO 0.05 -0.91 0.32 0.54 -0.55 0.00 0.00 176.35 175.81 3hfq s VAL 193 N -4.08 -0.00 0.19 1.48 0.11 -0.62 -4.95 120.40 112.51 3hfq s VAL 193 Ca 0.30 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.30 3hfq s VAL 193 Cb 0.05 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 3hfq s VAL 193 CO 0.08 0.00 0.44 -0.36 -3.33 0.00 0.00 175.10 171.93 3hfq s PHE 194 N 0.24 3.46 0.66 1.54 0.08 -1.26 -0.40 117.98 122.29 3hfq s PHE 194 Ca -0.01 0.63 -0.13 0.00 0.12 0.00 0.00 56.93 57.54 3hfq s PHE 194 Cb -0.03 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3hfq s PHE 194 CO -0.00 0.36 1.07 -1.54 -0.10 0.00 0.00 175.22 175.00 3hfq s SER 195 N -2.57 5.42 0.45 1.36 1.04 0.53 -4.92 113.70 115.01 3hfq s SER 195 Ca 0.43 1.76 0.10 0.00 0.48 0.00 0.00 55.95 58.72 3hfq s SER 195 Cb -0.12 -2.52 1.00 0.00 0.10 0.00 0.00 66.02 64.48 3hfq s SER 195 CO 0.25 -1.42 2.09 1.55 0.98 0.00 0.00 173.24 176.69 3hfq h PRO 196 N -0.22 0.35 -0.00 4.02 0.13 -1.90 -0.32 132.00 134.05 3hfq h PRO 196 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hfq h PRO 196 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hfq h PRO 196 CO 0.56 0.23 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.15 3hfq n ASP 197 N -4.49 0.40 0.00 1.44 5.75 -1.26 -4.91 116.55 113.48 3hfq n ASP 197 Ca 0.01 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 3hfq n ASP 197 Cb 0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3hfq n ASP 197 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfq n GLY 198 N 1.09 0.35 0.12 6.12 0.00 -0.13 -4.88 105.19 107.85 3hfq n GLY 198 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3hfq n GLY 198 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hfq h GLN 199 N 0.86 0.00 -5.20 1.61 4.20 -1.84 -3.44 115.11 111.30 3hfq h GLN 199 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 3hfq h GLN 199 Cb 0.32 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.93 3hfq h GLN 199 CO 0.00 0.00 -0.74 0.71 -0.67 0.00 0.00 178.83 178.13 3hfq s TYR 200 N -3.25 1.28 0.01 2.96 2.02 -1.26 -1.05 117.35 118.07 3hfq s TYR 200 Ca 0.04 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3hfq s TYR 200 Cb 0.10 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 3hfq s TYR 200 CO 0.73 0.09 -0.04 0.00 -1.57 0.00 0.00 175.55 174.76 3hfq s ALA 201 N -2.55 0.33 -0.19 3.71 0.00 -0.65 -0.34 121.76 122.07 3hfq s ALA 201 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 3hfq s ALA 201 Cb -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.10 3hfq s ALA 201 CO 0.02 0.01 -0.15 -0.06 0.00 0.00 0.00 175.76 175.58 3hfq s PHE 202 N -0.65 2.83 -0.25 0.00 0.40 0.46 -0.79 117.98 119.99 3hfq s PHE 202 Ca -0.05 -1.34 -0.07 0.00 -0.60 0.00 0.00 56.93 54.87 3hfq s PHE 202 Cb -0.05 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 3hfq s PHE 202 CO -0.00 -0.68 0.07 -1.17 0.70 0.00 0.00 175.22 174.14 3hfq s LEU 203 N 1.27 3.46 -0.12 -0.37 0.20 -0.28 -1.60 118.68 121.25 3hfq s LEU 203 Ca 0.04 -0.20 -0.25 0.00 0.69 0.00 0.00 54.13 54.41 3hfq s LEU 203 Cb -0.14 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 3hfq s LEU 203 CO -0.08 -0.03 0.78 0.00 -0.29 0.00 0.00 176.35 176.73 3hfq s ALA 204 N 1.61 3.42 -0.45 5.97 0.00 0.01 -0.73 121.76 131.59 3hfq s ALA 204 Ca 0.06 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 3hfq s ALA 204 Cb -0.15 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3hfq s ALA 204 CO 0.04 -0.40 0.34 0.20 0.00 0.00 0.00 175.76 175.94 3hfq s GLY 205 N 1.02 2.02 0.06 0.00 0.00 0.12 -0.73 107.32 109.81 3hfq s GLY 205 Ca 0.38 -2.05 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 3hfq s GLY 205 CO 0.16 1.01 1.59 -2.09 0.00 0.00 0.00 173.10 173.76 3hfq h GLU 206 N 8.64 -0.53 -0.09 2.90 4.81 -1.13 -1.34 114.58 127.85 3hfq h GLU 206 Ca -0.27 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 3hfq h GLU 206 Cb 1.10 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3hfq h GLU 206 CO 0.82 -0.32 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.41 3hfq h LEU 207 N -0.62 0.16 -1.05 1.64 3.38 -1.65 -2.78 115.31 114.40 3hfq h LEU 207 Ca -0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hfq h LEU 207 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hfq h LEU 207 CO 0.09 0.47 -0.45 -1.54 0.09 0.00 0.00 178.44 177.11 3hfq n SER 208 N -4.13 2.08 -3.56 -0.43 3.41 -1.04 -4.98 113.62 104.97 3hfq n SER 208 Ca -0.01 -1.54 -0.22 0.00 -0.26 0.00 0.00 58.87 56.84 3hfq n SER 208 Cb 0.39 0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 3hfq n SER 208 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hfq n SER 209 N 0.06 -3.66 -4.23 4.04 7.64 -0.53 -4.90 113.62 112.04 3hfq n SER 209 Ca 0.09 -0.83 -0.13 0.00 1.01 0.00 0.00 58.87 59.01 3hfq n SER 209 Cb 0.47 -4.24 -0.10 0.00 -1.01 0.00 0.00 64.21 59.33 3hfq n SER 209 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hfq s GLN 210 N -5.54 1.17 -0.07 1.43 -0.21 -1.04 -0.85 119.66 114.54 3hfq s GLN 210 Ca 0.24 -1.60 0.01 0.00 0.02 0.00 0.00 55.36 54.03 3hfq s GLN 210 Cb -0.06 0.01 0.02 0.00 1.00 0.00 0.00 33.01 33.98 3hfq s GLN 210 CO 0.80 -0.28 -0.07 0.42 -2.12 0.00 0.00 175.29 174.04 3hfq s ILE 211 N -3.92 0.81 -0.16 1.08 1.01 0.10 0.14 121.20 120.26 3hfq s ILE 211 Ca 0.32 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 3hfq s ILE 211 Cb 0.07 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3hfq s ILE 211 CO 0.08 0.30 0.06 0.00 0.00 0.00 0.00 174.94 175.38 3hfq s ALA 212 N 1.16 3.42 -0.11 9.38 0.00 0.09 -1.52 121.76 134.18 3hfq s ALA 212 Ca -0.06 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 3hfq s ALA 212 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3hfq s ALA 212 CO -0.01 0.29 0.55 -1.12 0.00 0.00 0.00 175.76 175.46 3hfq s SER 213 N 0.03 6.76 0.06 0.00 0.01 0.53 -1.13 113.70 119.97 3hfq s SER 213 Ca 0.05 0.91 0.09 0.00 1.31 0.00 0.00 55.95 58.31 3hfq s SER 213 Cb -0.12 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 3hfq s SER 213 CO 0.01 -0.06 -0.25 -0.76 0.41 0.00 0.00 173.24 172.59 3hfq s LEU 214 N 0.81 2.20 -0.25 2.44 1.43 0.03 0.22 118.68 125.56 3hfq s LEU 214 Ca 0.29 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3hfq s LEU 214 Cb -0.16 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 3hfq s LEU 214 CO 0.12 0.21 0.17 -0.75 0.23 0.00 0.00 176.35 176.33 3hfq s LYS 215 N -1.39 4.04 -0.15 1.70 2.47 0.15 -1.64 119.74 124.92 3hfq s LYS 215 Ca 0.11 -0.28 -0.06 0.00 -1.56 0.00 0.00 55.97 54.18 3hfq s LYS 215 Cb -0.10 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 3hfq s LYS 215 CO 0.03 0.00 0.05 -0.47 0.16 0.00 0.00 175.35 175.12 3hfq s TYR 216 N 1.23 3.27 -0.31 4.03 5.04 -0.21 -2.47 117.35 127.92 3hfq s TYR 216 Ca 0.07 0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.79 3hfq s TYR 216 Cb -0.14 -1.99 0.03 0.00 0.35 0.00 0.00 41.96 40.20 3hfq s TYR 216 CO 0.06 0.29 0.06 0.34 -1.34 0.00 0.00 175.55 174.96 3hfq s ASP 217 N -0.08 5.07 0.55 4.32 2.15 -0.43 -4.69 116.67 123.55 3hfq s ASP 217 Ca 0.06 -0.96 0.32 0.00 0.43 0.00 0.00 52.55 52.40 3hfq s ASP 217 Cb -0.12 -1.83 1.54 0.00 -0.30 0.00 0.00 42.92 42.21 3hfq s ASP 217 CO 0.01 -0.24 2.08 0.00 -0.17 0.00 0.00 175.17 176.84 3hfq h THR 218 N 6.09 0.33 -0.01 1.71 1.03 -1.90 0.31 112.91 120.47 3hfq h THR 218 Ca -0.27 -0.50 -0.23 0.00 -0.01 0.00 0.00 66.41 65.40 3hfq h THR 218 Cb 1.10 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 3hfq h THR 218 CO 0.59 0.08 -0.94 -0.61 -0.01 0.00 0.00 175.52 174.63 3hfq h GLN 219 N 0.00 0.46 -0.01 0.00 4.15 -1.97 -3.29 115.11 114.46 3hfq h GLN 219 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3hfq h GLN 219 Cb 0.37 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3hfq h GLN 219 CO 0.01 1.13 -0.73 0.25 -1.93 0.00 0.00 178.83 177.57 3hfq n THR 220 N -3.77 0.00 -3.77 2.39 -2.24 -1.11 -4.97 114.28 100.80 3hfq n THR 220 Ca -0.07 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3hfq n THR 220 Cb 0.83 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 70.20 3hfq n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hfq n GLY 221 N 1.41 -0.52 3.36 3.38 0.00 0.11 -4.80 105.19 108.12 3hfq n GLY 221 Ca 0.05 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 3hfq n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfq s ALA 222 N -3.31 1.97 0.34 4.61 0.00 -1.13 -4.44 121.76 119.79 3hfq s ALA 222 Ca 0.62 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.81 3hfq s ALA 222 Cb -0.30 1.00 -0.07 0.00 0.00 0.00 0.00 23.12 23.75 3hfq s ALA 222 CO 0.79 -0.44 0.04 -0.06 0.00 0.00 0.00 175.76 176.09 3hfq s PHE 223 N -3.61 2.10 -0.28 0.00 0.08 -1.26 -1.32 117.98 113.69 3hfq s PHE 223 Ca 0.36 -0.87 -0.19 0.00 0.12 0.00 0.00 56.93 56.34 3hfq s PHE 223 Cb 0.07 -1.40 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 3hfq s PHE 223 CO 0.15 0.13 0.75 -0.08 -0.10 0.00 0.00 175.22 176.07 3hfq s THR 224 N -3.14 0.00 0.17 0.64 -1.32 -1.03 -4.97 115.64 105.99 3hfq s THR 224 Ca 0.36 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.54 3hfq s THR 224 Cb 0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.00 3hfq s THR 224 CO 0.16 0.00 1.22 -1.58 -2.21 0.00 0.00 174.62 172.21 3hfq s GLN 225 N 1.13 4.46 -0.23 7.08 0.74 -1.26 -0.67 119.66 130.92 3hfq s GLN 225 Ca -0.06 1.90 0.08 0.00 0.05 0.00 0.00 55.36 57.33 3hfq s GLN 225 Cb -0.05 -3.24 -0.19 0.00 1.10 0.00 0.00 33.01 30.63 3hfq s GLN 225 CO -0.12 -0.14 -0.11 1.28 -0.55 0.00 0.00 175.29 175.65 3hfq n LEU 226 N 2.69 1.84 -3.79 3.68 4.77 0.13 -4.90 117.00 121.43 3hfq n LEU 226 Ca 0.05 -0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 3hfq n LEU 226 Cb 0.44 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hfq n LEU 226 CO 0.56 0.75 0.85 -0.83 -1.33 0.00 0.00 177.39 177.39 3hfq s GLY 227 N -6.00 -0.14 -0.15 -0.72 0.00 -1.16 -4.98 107.32 94.17 3hfq s GLY 227 Ca -0.24 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 3hfq s GLY 227 CO 0.65 1.29 0.37 -1.50 0.00 0.00 0.00 173.10 173.92 3hfq s ILE 228 N -2.63 -0.01 0.13 0.90 2.07 -1.26 -0.35 121.20 120.06 3hfq s ILE 228 Ca 0.17 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.49 3hfq s ILE 228 Cb -0.00 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 3hfq s ILE 228 CO 0.02 0.01 -0.11 0.68 -1.91 0.00 0.00 174.94 173.63 3hfq s VAL 229 N 0.59 1.15 0.36 4.00 -7.23 -0.57 -4.97 120.40 113.73 3hfq s VAL 229 Ca -0.03 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.11 3hfq s VAL 229 Cb -0.05 -1.67 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 3hfq s VAL 229 CO -0.04 -0.63 0.76 -0.54 -0.31 0.00 0.00 175.10 174.34 3hfq s LYS 230 N -3.30 3.93 0.00 4.82 -0.14 -1.26 -0.72 119.74 123.07 3hfq s LYS 230 Ca 0.12 0.62 0.24 0.00 -1.36 0.00 0.00 55.97 55.59 3hfq s LYS 230 Cb -0.00 -2.40 0.15 0.00 -1.68 0.00 0.00 37.83 33.89 3hfq s LYS 230 CO 0.01 0.08 1.21 0.25 -0.76 0.00 0.00 175.35 176.14 3hfq n THR 231 N -0.72 0.00 -4.11 2.17 -2.24 -0.03 -4.84 114.28 104.50 3hfq n THR 231 Ca 0.03 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 3hfq n THR 231 Cb 0.53 1.33 -0.09 0.00 -2.10 0.00 0.00 70.33 70.01 3hfq n THR 231 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hfq s ILE 232 N -2.22 0.09 0.30 2.28 -4.36 -1.26 -4.82 121.20 111.21 3hfq s ILE 232 Ca 0.24 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 3hfq s ILE 232 Cb 0.19 -2.03 -0.12 0.00 1.25 0.00 0.00 42.46 41.75 3hfq s ILE 232 CO 0.42 -0.41 1.47 -2.65 0.24 0.00 0.00 174.94 174.02 3hfq n PRO 233 N -0.13 2.41 0.02 0.37 -0.02 -1.26 -4.81 135.00 131.58 3hfq n PRO 233 Ca -0.05 0.85 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 3hfq n PRO 233 Cb 0.64 -2.56 0.14 0.00 -0.02 0.00 0.00 33.50 31.70 3hfq n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hfq n ALA 234 N 1.52 1.19 0.11 3.55 0.00 -1.26 -1.31 120.51 124.31 3hfq n ALA 234 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3hfq n ALA 234 Cb 0.35 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3hfq n ALA 234 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3hfq h ASP 235 N 0.00 0.00 -2.72 0.00 1.82 -2.06 -3.46 116.42 110.00 3hfq h ASP 235 Ca 0.00 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 56.09 3hfq h ASP 235 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3hfq h ASP 235 CO 0.00 0.54 1.01 -0.47 -1.61 0.00 0.00 179.24 178.71 3hfq s TYR 236 N -2.94 2.31 -0.59 0.28 5.04 -0.43 -4.91 117.35 116.10 3hfq s TYR 236 Ca 0.02 0.48 0.12 0.00 -2.44 0.00 0.00 57.07 55.25 3hfq s TYR 236 Cb 0.08 -3.77 -0.12 0.00 0.35 0.00 0.00 41.96 38.50 3hfq s TYR 236 CO 0.77 -3.11 0.51 0.25 -1.34 0.00 0.00 175.55 172.63 3hfq n THR 237 N 5.38 0.00 -1.69 4.34 -2.24 -1.26 -4.98 114.28 113.83 3hfq n THR 237 Ca 0.16 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 3hfq n THR 237 Cb 0.43 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.82 3hfq n THR 237 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfq s ALA 238 N -2.07 1.99 0.41 6.98 0.00 -1.26 -4.98 121.76 122.82 3hfq s ALA 238 Ca 0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 3hfq s ALA 238 Cb 0.09 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.18 3hfq s ALA 238 CO 0.47 -2.33 1.40 1.58 0.00 0.00 0.00 175.76 176.88 3hfq n HIS 239 N -3.77 2.64 -3.63 0.00 -0.00 -1.26 -4.99 115.22 104.20 3hfq n HIS 239 Ca 0.10 0.47 -0.11 0.00 -0.00 0.00 0.00 57.72 58.18 3hfq n HIS 239 Cb 0.60 -2.46 -0.07 0.00 -0.00 0.00 0.00 29.99 28.05 3hfq n HIS 239 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3hfq s ASN 240 N -0.34 -0.84 -0.16 0.26 2.47 -1.25 -4.07 114.94 111.00 3hfq s ASN 240 Ca 0.58 1.47 -0.03 0.00 0.42 0.00 0.00 52.86 55.30 3hfq s ASN 240 Cb -0.48 1.42 0.05 0.00 -1.45 0.00 0.00 41.25 40.79 3hfq s ASN 240 CO 0.60 -0.24 0.03 -0.83 -3.72 0.00 0.00 177.10 172.95 3hfq s GLY 241 N 0.97 0.59 0.62 1.21 0.00 -0.12 -4.72 107.32 105.88 3hfq s GLY 241 Ca -0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 3hfq s GLY 241 CO -0.09 1.39 1.24 0.00 0.00 0.00 0.00 173.10 175.65 3hfq s ALA 242 N 1.93 2.46 0.00 3.20 0.00 -1.06 -1.67 121.76 126.62 3hfq s ALA 242 Ca 0.01 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3hfq s ALA 242 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3hfq s ALA 242 CO -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 175.76 174.32 3hfq n ALA 243 N -1.76 1.32 -2.34 0.00 0.00 -0.30 -4.29 120.51 113.14 3hfq n ALA 243 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 3hfq n ALA 243 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3hfq n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfq s ALA 244 N -2.00 3.48 -0.03 0.00 0.00 -1.25 -4.55 121.76 117.42 3hfq s ALA 244 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 3hfq s ALA 244 Cb 0.00 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3hfq s ALA 244 CO 0.00 0.16 0.04 -1.50 0.00 0.00 0.00 175.76 174.47 3hfq s ILE 245 N -2.18 -0.06 0.07 0.00 2.07 -1.26 -1.83 121.20 118.02 3hfq s ILE 245 Ca 0.48 0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.98 3hfq s ILE 245 Cb -0.11 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 3hfq s ILE 245 CO 0.29 0.09 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.16 3hfq s ARG 246 N 1.13 0.76 -0.05 3.50 1.81 0.30 -4.77 118.95 121.63 3hfq s ARG 246 Ca -0.09 -0.97 0.04 0.00 -1.72 0.00 0.00 55.73 52.99 3hfq s ARG 246 Cb -0.13 -0.62 0.00 0.00 -0.45 0.00 0.00 34.95 33.75 3hfq s ARG 246 CO -0.03 0.12 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.39 3hfq s LEU 247 N -1.90 1.84 0.69 2.53 0.20 -1.26 -0.23 118.68 120.56 3hfq s LEU 247 Ca -0.02 -0.33 -0.16 0.00 0.69 0.00 0.00 54.13 54.32 3hfq s LEU 247 Cb -0.08 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 3hfq s LEU 247 CO 0.01 0.11 1.18 -0.94 -0.29 0.00 0.00 176.35 176.43 3hfq s SER 248 N 0.22 4.57 0.40 3.68 1.04 -0.26 -4.88 113.70 118.47 3hfq s SER 248 Ca -0.07 2.28 0.12 0.00 0.48 0.00 0.00 55.95 58.76 3hfq s SER 248 Cb -0.12 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.36 3hfq s SER 248 CO 0.03 -2.00 1.93 -0.74 0.98 0.00 0.00 173.24 173.43 3hfq h HIS 249 N -0.02 0.58 0.00 5.02 2.76 -2.00 0.60 115.15 122.10 3hfq h HIS 249 Ca -0.48 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3hfq h HIS 249 Cb 1.28 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.06 3hfq h HIS 249 CO 0.49 0.25 0.00 -0.40 -1.30 0.00 0.00 177.93 176.97 3hfq n ASP 250 N -4.49 0.00 0.00 3.26 3.85 -1.26 -4.72 116.55 113.19 3hfq n ASP 250 Ca 0.13 -0.02 0.00 0.00 -0.71 0.00 0.00 54.79 54.19 3hfq n ASP 250 Cb 0.43 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3hfq n ASP 250 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hfq n GLY 251 N 1.01 0.51 0.11 6.12 0.00 0.20 -4.92 105.19 108.22 3hfq n GLY 251 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 3hfq n GLY 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hfq h HIS 252 N 0.00 0.00 -3.82 1.61 3.86 -1.90 -3.44 115.15 111.46 3hfq h HIS 252 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3hfq h HIS 252 Cb 0.15 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.31 3hfq h HIS 252 CO 0.10 0.55 -0.81 -0.06 0.86 0.00 0.00 177.93 178.56 3hfq s PHE 253 N -2.94 1.36 -0.07 2.45 0.08 -1.26 -0.77 117.98 116.83 3hfq s PHE 253 Ca -0.00 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.68 3hfq s PHE 253 Cb 0.08 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 3hfq s PHE 253 CO 0.79 -0.15 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.48 3hfq s LEU 254 N 0.16 2.88 -0.01 -0.37 2.96 0.29 -1.10 118.68 123.50 3hfq s LEU 254 Ca -0.04 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3hfq s LEU 254 Cb -0.11 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3hfq s LEU 254 CO 0.02 0.32 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.87 3hfq s TYR 255 N -0.56 1.68 -0.00 5.38 1.51 0.69 -0.40 117.35 125.65 3hfq s TYR 255 Ca 0.08 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3hfq s TYR 255 Cb -0.12 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 3hfq s TYR 255 CO 0.02 -0.02 0.05 0.54 -1.11 0.00 0.00 175.55 175.03 3hfq s VAL 256 N -0.47 0.06 0.01 0.71 0.11 -0.82 -0.54 120.40 119.45 3hfq s VAL 256 Ca 0.07 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 3hfq s VAL 256 Cb -0.07 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3hfq s VAL 256 CO -0.00 -0.27 0.07 -0.94 -3.33 0.00 0.00 175.10 170.63 3hfq s SER 257 N -0.84 5.60 -0.17 3.54 1.04 -0.76 -0.49 113.70 121.62 3hfq s SER 257 Ca -0.09 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3hfq s SER 257 Cb -0.06 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.50 3hfq s SER 257 CO 0.00 0.26 -0.20 0.20 0.98 0.00 0.00 173.24 174.48 3hfq s ASN 258 N -1.79 3.13 -0.37 7.02 0.01 -0.13 -1.15 114.94 121.65 3hfq s ASN 258 Ca 0.23 -0.64 -0.19 0.00 -0.71 0.00 0.00 52.86 51.55 3hfq s ASN 258 Cb -0.12 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.07 3hfq s ASN 258 CO 0.14 0.01 0.55 -0.13 -1.51 0.00 0.00 177.10 176.17 3hfq s ARG 259 N 1.22 3.53 0.00 -0.60 0.52 -0.67 -1.29 118.95 121.66 3hfq s ARG 259 Ca 0.03 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 3hfq s ARG 259 Cb -0.13 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.49 3hfq s ARG 259 CO -0.11 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 174.88 3hfq n GLY 260 N 4.84 2.42 0.20 -3.53 0.00 -1.26 -0.94 105.19 106.93 3hfq n GLY 260 Ca -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3hfq n GLY 260 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hfq h TYR 261 N 0.00 0.00 -5.68 1.61 3.20 -1.72 -3.48 116.97 110.90 3hfq h TYR 261 Ca 0.00 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3hfq h TYR 261 Cb 0.00 0.00 0.11 0.00 1.54 0.00 0.00 36.73 38.38 3hfq h TYR 261 CO 0.00 0.31 -0.67 0.09 -1.64 0.00 0.00 178.16 176.26 3hfq n ASN 262 N -3.56 -6.56 -3.87 -2.11 3.02 -0.41 -4.97 115.26 96.80 3hfq n ASN 262 Ca -0.00 -0.63 -0.11 0.00 -0.03 0.00 0.00 54.58 53.81 3hfq n ASN 262 Cb 0.45 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.94 3hfq n ASN 262 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hfq s THR 263 N -3.28 0.00 -0.14 3.41 -4.23 -1.17 -2.27 115.64 107.95 3hfq s THR 263 Ca 0.32 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3hfq s THR 263 Cb -0.07 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 3hfq s THR 263 CO 0.78 0.00 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.99 3hfq s LEU 264 N -3.09 2.82 -0.15 4.79 1.43 -0.25 -0.96 118.68 123.29 3hfq s LEU 264 Ca 0.27 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3hfq s LEU 264 Cb 0.01 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3hfq s LEU 264 CO 0.12 0.14 0.04 0.00 0.23 0.00 0.00 176.35 176.88 3hfq s ALA 265 N 0.48 3.37 -0.15 4.21 0.00 0.35 -1.64 121.76 128.39 3hfq s ALA 265 Ca -0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hfq s ALA 265 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 3hfq s ALA 265 CO 0.04 0.34 -0.07 0.08 0.00 0.00 0.00 175.76 176.15 3hfq s VAL 266 N -0.12 3.58 0.00 0.00 1.01 0.76 -1.95 120.40 123.70 3hfq s VAL 266 Ca 0.06 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3hfq s VAL 266 Cb -0.12 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3hfq s VAL 266 CO 0.01 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 175.03 3hfq s PHE 267 N 0.38 2.02 -0.07 5.22 0.40 0.47 -0.36 117.98 126.04 3hfq s PHE 267 Ca -0.06 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.69 3hfq s PHE 267 Cb -0.15 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 3hfq s PHE 267 CO 0.04 0.01 0.52 0.00 0.70 0.00 0.00 175.22 176.49 3hfq s ALA 268 N -0.62 3.49 -0.16 5.36 0.00 0.78 -0.54 121.76 130.07 3hfq s ALA 268 Ca 0.09 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 3hfq s ALA 268 Cb -0.09 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 3hfq s ALA 268 CO 0.00 0.09 0.53 0.08 0.00 0.00 0.00 175.76 176.46 3hfq s VAL 269 N 0.23 5.13 0.86 0.00 1.01 0.05 -1.42 120.40 126.26 3hfq s VAL 269 Ca 0.28 1.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 3hfq s VAL 269 Cb -0.16 -3.86 0.14 0.00 0.00 0.00 0.00 36.38 32.50 3hfq s VAL 269 CO 0.13 0.24 1.21 0.42 0.00 0.00 0.00 175.10 177.10 3hfq s THR 270 N 1.18 2.04 0.50 3.92 -4.23 0.30 -4.89 115.64 114.47 3hfq s THR 270 Ca 0.26 -0.08 0.20 0.00 -1.18 0.00 0.00 61.69 60.89 3hfq s THR 270 Cb -0.15 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 70.98 3hfq s THR 270 CO 0.11 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.30 3hfq h ALA 271 N -1.24 1.70 -0.42 3.99 0.00 -1.98 -2.62 119.26 118.70 3hfq h ALA 271 Ca -0.44 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3hfq h ALA 271 Cb 1.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3hfq h ALA 271 CO 0.50 0.09 0.06 -0.40 0.00 0.00 0.00 179.25 179.50 3hfq n ASP 272 N -4.20 3.88 0.00 0.00 5.68 -1.26 -4.95 116.55 115.70 3hfq n ASP 272 Ca -0.03 -3.25 0.00 0.00 -0.50 0.00 0.00 54.79 51.02 3hfq n ASP 272 Cb 0.16 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 3hfq n ASP 272 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hfq n GLY 273 N -0.53 0.78 3.90 6.12 0.00 -0.99 -5.06 105.19 109.42 3hfq n GLY 273 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 3hfq n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hfq s HIS 274 N -2.91 3.26 -0.01 1.61 3.76 -1.26 -4.77 115.29 114.95 3hfq s HIS 274 Ca 0.00 0.81 0.08 0.00 -0.15 0.00 0.00 55.06 55.80 3hfq s HIS 274 Cb 0.00 -2.93 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 3hfq s HIS 274 CO 0.00 -1.04 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.09 3hfq s LEU 275 N -5.18 2.06 -0.14 0.89 1.43 -1.26 -0.54 118.68 115.94 3hfq s LEU 275 Ca 0.56 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3hfq s LEU 275 Cb -0.11 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.88 3hfq s LEU 275 CO 0.48 0.29 -0.13 -0.89 0.23 0.00 0.00 176.35 176.33 3hfq s THR 276 N -0.60 1.48 0.13 5.49 2.01 -0.51 -4.94 115.64 118.69 3hfq s THR 276 Ca 0.10 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 3hfq s THR 276 Cb -0.09 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 3hfq s THR 276 CO -0.01 0.44 1.47 -0.22 -0.69 0.00 0.00 174.62 175.62 3hfq s LEU 277 N 1.47 4.37 0.00 4.42 2.96 -1.26 -0.16 118.68 130.48 3hfq s LEU 277 Ca 0.04 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 3hfq s LEU 277 Cb -0.13 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hfq s LEU 277 CO -0.09 -0.74 0.00 2.30 -1.32 0.00 0.00 176.35 176.50 3hfq n ILE 278 N 4.03 0.00 -3.58 6.68 -5.35 0.52 -4.90 119.36 116.75 3hfq n ILE 278 Ca 0.13 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 3hfq n ILE 278 Cb 0.41 0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 39.07 3hfq n ILE 278 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3hfq s GLN 279 N -1.05 0.73 -0.09 6.28 0.74 -1.11 -4.98 119.66 120.17 3hfq s GLN 279 Ca 0.00 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.77 3hfq s GLN 279 Cb 0.00 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.48 3hfq s GLN 279 CO 0.00 -0.19 -0.07 -0.65 -0.55 0.00 0.00 175.29 173.83 3hfq s GLN 280 N -0.69 1.37 -0.03 1.67 -1.52 -1.26 -0.17 119.66 119.02 3hfq s GLN 280 Ca -0.03 -0.22 0.01 0.00 -1.95 0.00 0.00 55.36 53.17 3hfq s GLN 280 Cb -0.02 -1.40 0.02 0.00 -0.22 0.00 0.00 33.01 31.39 3hfq s GLN 280 CO 0.02 -0.20 -0.03 -1.50 -0.25 0.00 0.00 175.29 173.33 3hfq s ILE 281 N 1.49 0.36 0.46 1.08 2.07 -0.65 -4.96 121.20 121.04 3hfq s ILE 281 Ca 0.00 -0.05 -0.24 0.00 -1.41 0.00 0.00 60.65 58.95 3hfq s ILE 281 Cb -0.13 -0.40 -0.09 0.00 0.13 0.00 0.00 42.46 41.97 3hfq s ILE 281 CO -0.05 0.17 1.23 -0.24 -1.91 0.00 0.00 174.94 174.14 3hfq n SER 282 N 3.90 2.27 -0.71 4.50 2.88 -1.26 -1.09 113.62 124.12 3hfq n SER 282 Ca -0.24 1.05 0.11 0.00 -1.33 0.00 0.00 58.87 58.46 3hfq n SER 282 Cb 0.52 -1.49 0.33 0.00 -0.75 0.00 0.00 64.21 62.82 3hfq n SER 282 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3hfq n THR 283 N -0.52 0.26 -3.76 2.46 -2.24 -0.96 -4.80 114.28 104.71 3hfq n THR 283 Ca 0.08 -0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 3hfq n THR 283 Cb 0.41 0.57 0.05 0.00 -2.10 0.00 0.00 70.33 69.26 3hfq n THR 283 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfq n GLU 284 N 0.63 -6.38 -3.36 -0.78 -0.58 -1.26 -4.66 120.64 104.25 3hfq n GLU 284 Ca 0.17 0.69 0.03 0.00 -0.42 0.00 0.00 57.16 57.63 3hfq n GLU 284 Cb 0.41 -5.62 0.01 0.00 -0.57 0.00 0.00 31.44 25.67 3hfq n GLU 284 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfq n GLY 285 N -1.76 0.22 3.46 0.62 0.00 -1.26 -4.73 105.19 101.73 3hfq n GLY 285 Ca -0.02 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3hfq n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hfq s ASP 286 N -2.99 4.51 -0.47 1.61 2.15 -1.26 -4.83 116.67 115.39 3hfq s ASP 286 Ca 0.22 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 3hfq s ASP 286 Cb -0.00 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 3hfq s ASP 286 CO -0.02 0.18 0.46 0.49 -0.17 0.00 0.00 175.17 176.11 3hfq n PHE 287 N 3.46 -2.03 -2.42 -5.34 3.01 -1.26 -1.96 117.46 110.92 3hfq n PHE 287 Ca -0.18 0.78 -0.37 0.00 1.01 0.00 0.00 57.45 58.69 3hfq n PHE 287 Cb 0.53 -3.24 -0.04 0.00 -0.01 0.00 0.00 39.48 36.72 3hfq n PHE 287 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hfq s PRO 288 N -2.89 3.32 0.39 -1.08 0.04 -1.26 -1.06 135.00 132.45 3hfq s PRO 288 Ca 0.02 -0.90 0.21 0.00 0.04 0.00 0.00 61.00 60.37 3hfq s PRO 288 Cb -0.01 -5.28 0.43 0.00 0.04 0.00 0.00 34.50 29.68 3hfq s PRO 288 CO 0.50 -2.52 1.62 -0.09 0.04 0.00 0.00 177.00 176.55 3hfq h ARG 289 N 10.19 0.00 -2.99 4.56 2.43 -1.87 -3.40 114.38 123.30 3hfq h ARG 289 Ca 0.17 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3hfq h ARG 289 Cb 1.01 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.40 3hfq h ARG 289 CO 1.37 0.22 -0.06 0.34 -1.51 0.00 0.00 179.97 180.33 3hfq s ASP 290 N -6.25 -0.32 0.16 -3.80 2.15 -1.26 -3.80 116.67 103.55 3hfq s ASP 290 Ca 0.04 0.02 -0.25 0.00 0.43 0.00 0.00 52.55 52.79 3hfq s ASP 290 Cb 0.07 0.45 0.06 0.00 -0.30 0.00 0.00 42.92 43.20 3hfq s ASP 290 CO 0.68 -0.70 0.94 0.72 -0.17 0.00 0.00 175.17 176.64 3hfq s PHE 291 N -2.60 -0.14 -0.05 -5.34 -0.71 -1.26 -2.06 117.98 105.82 3hfq s PHE 291 Ca -0.04 -0.18 -0.29 0.00 -1.04 0.00 0.00 56.93 55.37 3hfq s PHE 291 Cb -0.01 0.65 0.11 0.00 -1.21 0.00 0.00 43.02 42.56 3hfq s PHE 291 CO -0.03 -0.86 0.92 0.34 -1.34 0.00 0.00 175.22 174.25 3hfq s ASP 292 N -2.94 -0.36 0.40 1.98 2.15 -0.79 -4.85 116.67 112.26 3hfq s ASP 292 Ca 0.12 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.03 3hfq s ASP 292 Cb -0.02 0.36 -0.09 0.00 -0.30 0.00 0.00 42.92 42.87 3hfq s ASP 292 CO 0.03 -0.54 0.85 -0.76 -0.17 0.00 0.00 175.17 174.57 3hfq s LEU 293 N -2.17 3.92 0.87 -1.34 1.02 -1.26 -1.71 118.68 118.00 3hfq s LEU 293 Ca 0.04 1.44 -0.13 0.00 0.02 0.00 0.00 54.13 55.49 3hfq s LEU 293 Cb -0.01 -4.29 0.12 0.00 0.02 0.00 0.00 46.19 42.03 3hfq s LEU 293 CO -0.06 -0.35 1.21 1.51 0.02 0.00 0.00 176.35 178.68 3hfq s ASP 294 N -2.50 3.99 0.45 2.29 -4.77 -0.41 -4.87 116.67 110.86 3hfq s ASP 294 Ca 0.57 0.67 0.16 0.00 -3.30 0.00 0.00 52.55 50.65 3hfq s ASP 294 Cb -0.10 -1.05 1.10 0.00 -1.09 0.00 0.00 42.92 41.78 3hfq s ASP 294 CO 0.20 -2.22 1.97 -0.65 0.70 0.00 0.00 175.17 175.17 3hfq h PRO 295 N -1.28 0.32 0.00 2.11 0.11 -1.91 0.54 132.00 131.89 3hfq h PRO 295 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfq h PRO 295 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hfq h PRO 295 CO 0.58 0.21 -0.08 1.79 -0.21 0.00 0.00 178.00 180.29 3hfq h THR 296 N 0.33 0.00 -0.50 -1.15 1.35 -1.94 -3.47 112.91 107.53 3hfq h THR 296 Ca 0.29 -0.68 -0.21 0.00 -0.55 0.00 0.00 66.41 65.25 3hfq h THR 296 Cb 0.68 1.63 -0.08 0.00 -1.73 0.00 0.00 68.15 68.64 3hfq h THR 296 CO -0.07 0.00 -0.19 -0.62 -0.25 0.00 0.00 175.52 174.38 3hfq n GLU 297 N -2.56 -1.10 -0.05 4.72 1.02 0.18 -4.84 120.64 118.01 3hfq n GLU 297 Ca 0.05 0.83 0.12 0.00 -0.02 0.00 0.00 57.16 58.14 3hfq n GLU 297 Cb 0.47 -4.91 0.21 0.00 -0.02 0.00 0.00 31.44 27.18 3hfq n GLU 297 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hfq n ALA 298 N 1.19 2.47 -2.39 0.62 0.00 -1.26 -4.75 120.51 116.40 3hfq n ALA 298 Ca -0.10 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.54 3hfq n ALA 298 Cb 0.44 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 3hfq n ALA 298 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hfq s PHE 299 N -1.87 0.30 -0.01 0.00 0.08 -1.26 -0.32 117.98 114.91 3hfq s PHE 299 Ca 0.32 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3hfq s PHE 299 Cb 0.21 -0.20 0.01 0.00 -0.57 0.00 0.00 43.02 42.47 3hfq s PHE 299 CO 0.31 -0.46 -0.01 0.08 -0.10 0.00 0.00 175.22 175.04 3hfq s VAL 300 N -3.75 0.16 -0.09 -0.44 1.01 -0.76 -1.28 120.40 115.25 3hfq s VAL 300 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3hfq s VAL 300 Cb 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.25 3hfq s VAL 300 CO -0.10 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.19 3hfq s VAL 301 N 0.38 1.78 0.06 2.92 1.01 -0.69 -0.81 120.40 125.05 3hfq s VAL 301 Ca -0.04 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3hfq s VAL 301 Cb -0.06 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3hfq s VAL 301 CO -0.01 0.50 -0.20 0.54 0.00 0.00 0.00 175.10 175.93 3hfq s VAL 302 N 0.51 1.63 -0.04 2.92 0.11 -0.60 -1.88 120.40 123.05 3hfq s VAL 302 Ca -0.16 -1.30 0.06 0.00 -2.93 0.00 0.00 61.98 57.65 3hfq s VAL 302 Cb -0.17 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 3hfq s VAL 302 CO 0.06 0.09 -0.22 0.68 -3.33 0.00 0.00 175.10 172.38 3hfq s VAL 303 N -0.94 2.36 -0.27 2.04 -7.23 -0.88 -0.45 120.40 115.03 3hfq s VAL 303 Ca 0.06 -0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 59.16 3hfq s VAL 303 Cb -0.09 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3hfq s VAL 303 CO 0.03 0.58 0.11 0.20 -0.31 0.00 0.00 175.10 175.71 3hfq s ASN 304 N -0.56 5.41 0.15 4.85 -0.87 0.30 -3.55 114.94 120.67 3hfq s ASN 304 Ca 0.08 -0.26 -0.16 0.00 -1.57 0.00 0.00 52.86 50.95 3hfq s ASN 304 Cb -0.11 -1.98 0.02 0.00 -0.02 0.00 0.00 41.25 39.16 3hfq s ASN 304 CO 0.00 -0.08 1.80 -0.61 -2.57 0.00 0.00 177.10 175.65 3hfq h GLN 305 N 8.29 0.56 0.00 -0.60 4.15 -0.97 -2.95 115.11 123.60 3hfq h GLN 305 Ca -0.36 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.02 3hfq h GLN 305 Cb 1.17 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3hfq h GLN 305 CO 0.58 0.39 -0.41 -0.91 -1.93 0.00 0.00 178.83 176.55 3hfq h ASN 306 N 0.57 0.00 -0.31 -0.69 2.35 -1.61 -3.36 115.58 112.53 3hfq h ASN 306 Ca 0.15 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3hfq h ASN 306 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3hfq h ASN 306 CO -0.03 0.01 0.00 0.35 -1.65 0.00 0.00 177.43 176.11 3hfq n THR 307 N -2.76 0.94 -4.08 2.81 -2.24 -1.24 -4.95 114.28 102.77 3hfq n THR 307 Ca 0.03 -0.97 -0.34 0.00 -2.27 0.00 0.00 64.05 60.50 3hfq n THR 307 Cb 0.52 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 3hfq n THR 307 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hfq n ASP 308 N 0.46 -3.94 -4.05 3.42 8.00 -1.11 -4.96 116.55 114.35 3hfq n ASP 308 Ca 0.11 -0.90 -0.12 0.00 0.71 0.00 0.00 54.79 54.59 3hfq n ASP 308 Cb 0.41 -3.19 -0.11 0.00 -0.02 0.00 0.00 41.12 38.20 3hfq n ASP 308 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hfq s ASN 309 N -3.26 0.72 0.21 -2.24 2.20 -1.22 -1.71 114.94 109.64 3hfq s ASN 309 Ca 0.71 -0.60 0.10 0.00 -0.94 0.00 0.00 52.86 52.13 3hfq s ASN 309 Cb -0.38 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 38.90 3hfq s ASN 309 CO 0.87 -0.27 -0.10 0.00 -2.94 0.00 0.00 177.10 174.67 3hfq s ALA 310 N -1.72 2.94 0.01 3.54 0.00 0.15 -0.54 121.76 126.14 3hfq s ALA 310 Ca -0.09 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.34 3hfq s ALA 310 Cb -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3hfq s ALA 310 CO -0.01 0.40 -0.14 0.99 0.00 0.00 0.00 175.76 176.99 3hfq s THR 311 N -1.93 1.13 -0.13 0.00 2.01 0.40 -2.42 115.64 114.70 3hfq s THR 311 Ca 0.27 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 3hfq s THR 311 Cb -0.08 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3hfq s THR 311 CO 0.16 0.20 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.94 3hfq s LEU 312 N -0.63 2.70 0.19 4.42 2.96 0.81 -1.56 118.68 127.56 3hfq s LEU 312 Ca 0.04 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3hfq s LEU 312 Cb -0.06 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3hfq s LEU 312 CO 0.00 0.16 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.68 3hfq s TYR 313 N 0.36 2.08 0.02 5.38 1.51 0.01 -0.91 117.35 125.80 3hfq s TYR 313 Ca -0.11 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.45 3hfq s TYR 313 Cb -0.16 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 3hfq s TYR 313 CO 0.06 0.45 0.34 0.00 -1.11 0.00 0.00 175.55 175.28 3hfq s ALA 314 N -1.95 3.77 -0.14 3.71 0.00 0.49 -1.82 121.76 125.82 3hfq s ALA 314 Ca 0.20 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3hfq s ALA 314 Cb -0.07 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.86 3hfq s ALA 314 CO 0.09 0.58 -0.22 0.50 0.00 0.00 0.00 175.76 176.71 3hfq s ARG 315 N -1.62 3.00 -0.13 0.00 3.52 0.57 -1.71 118.95 122.58 3hfq s ARG 315 Ca 0.28 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 3hfq s ARG 315 Cb -0.14 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 3hfq s ARG 315 CO 0.15 -0.01 1.16 0.34 -0.81 0.00 0.00 175.30 176.13 3hfq s ASP 316 N 0.80 7.06 0.39 -2.12 -1.08 -0.52 -4.60 116.67 116.60 3hfq s ASP 316 Ca -0.07 1.64 0.10 0.00 -0.52 0.00 0.00 52.55 53.70 3hfq s ASP 316 Cb -0.16 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 3hfq s ASP 316 CO -0.02 -0.63 1.91 -0.07 0.52 0.00 0.00 175.17 176.88 3hfq h LEU 317 N 8.89 0.19 0.12 -1.34 3.38 -1.90 0.18 115.31 124.84 3hfq h LEU 317 Ca -0.28 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.33 3hfq h LEU 317 Cb 1.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3hfq h LEU 317 CO 0.92 0.37 -1.63 0.74 0.09 0.00 0.00 178.44 178.93 3hfq h THR 318 N 0.19 0.89 0.00 0.22 2.02 -1.98 -3.39 112.91 110.85 3hfq h THR 318 Ca 0.04 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3hfq h THR 318 Cb 0.41 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3hfq h THR 318 CO 0.03 0.76 -1.36 -1.54 0.37 0.00 0.00 175.52 173.78 3hfq n SER 319 N -3.78 0.54 0.00 4.18 3.41 -1.24 -4.97 113.62 111.76 3hfq n SER 319 Ca -0.28 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3hfq n SER 319 Cb 0.96 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 3hfq n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfq n GLY 320 N 1.22 1.77 3.82 5.00 0.00 0.65 -5.00 105.19 112.64 3hfq n GLY 320 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hfq n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfq s LYS 321 N -0.06 3.48 0.11 1.61 1.02 -1.26 -4.66 119.74 119.98 3hfq s LYS 321 Ca 0.00 1.08 0.05 0.00 0.02 0.00 0.00 55.97 57.11 3hfq s LYS 321 Cb 0.00 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 3hfq s LYS 321 CO 0.00 -0.67 0.04 -0.51 -0.92 0.00 0.00 175.35 173.29 3hfq s LEU 322 N -4.53 3.58 -0.05 3.17 1.43 -1.26 -1.43 118.68 119.59 3hfq s LEU 322 Ca 0.61 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3hfq s LEU 322 Cb -0.14 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.84 3hfq s LEU 322 CO 0.38 0.14 0.12 -0.94 0.23 0.00 0.00 176.35 176.29 3hfq s SER 323 N -2.55 -0.10 0.30 2.29 1.04 -0.69 -4.96 113.70 109.02 3hfq s SER 323 Ca 0.28 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.66 3hfq s SER 323 Cb -0.11 0.19 -0.12 0.00 0.10 0.00 0.00 66.02 66.08 3hfq s SER 323 CO 0.20 -0.10 1.50 -0.11 0.98 0.00 0.00 173.24 175.71 3hfq n LEU 324 N 3.65 4.05 0.00 2.42 7.94 -1.26 -0.38 117.00 133.42 3hfq n LEU 324 Ca -0.20 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3hfq n LEU 324 Cb 0.55 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.95 3hfq n LEU 324 CO 0.20 -0.07 -0.46 0.18 -1.11 0.00 0.00 177.39 176.13 3hfq n LEU 325 N 1.68 1.57 -3.64 -1.96 4.77 -0.09 -4.79 117.00 114.54 3hfq n LEU 325 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 3hfq n LEU 325 Cb 0.36 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3hfq n LEU 325 CO 0.63 0.24 0.28 -1.58 -1.33 0.00 0.00 177.39 175.64 3hfq s GLN 326 N -1.95 0.80 0.33 3.23 0.74 -0.91 -4.99 119.66 116.90 3hfq s GLN 326 Ca 0.00 0.47 0.04 0.00 0.05 0.00 0.00 55.36 55.92 3hfq s GLN 326 Cb 0.00 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 3hfq s GLN 326 CO 0.00 -0.18 0.17 -1.59 -0.55 0.00 0.00 175.29 173.15 3hfq s LYS 327 N -0.44 1.68 -1.47 1.67 -2.85 -1.26 -0.14 119.74 116.94 3hfq s LYS 327 Ca -0.06 -1.98 -0.07 0.00 -1.00 0.00 0.00 55.97 52.86 3hfq s LYS 327 Cb -0.03 -0.14 0.03 0.00 -2.06 0.00 0.00 37.83 35.64 3hfq s LYS 327 CO 0.04 -0.49 0.68 -0.25 0.10 0.00 0.00 175.35 175.43 3hfq n ASP 328 N -1.10 -5.43 -4.65 0.03 8.00 -1.18 -4.95 116.55 107.27 3hfq n ASP 328 Ca 0.01 -0.38 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 3hfq n ASP 328 Cb 0.64 -4.39 -0.04 0.00 -0.02 0.00 0.00 41.12 37.31 3hfq n ASP 328 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfq s VAL 329 N -3.14 4.83 -0.16 2.53 1.01 -1.01 -4.85 120.40 119.60 3hfq s VAL 329 Ca 0.39 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 3hfq s VAL 329 Cb -0.19 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3hfq s VAL 329 CO 0.48 -0.07 1.58 -0.89 0.00 0.00 0.00 175.10 176.20 3hfq s THR 330 N 2.82 3.75 -0.24 3.92 2.01 -1.26 0.31 115.64 126.95 3hfq s THR 330 Ca 0.36 0.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.19 3hfq s THR 330 Cb -0.15 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.77 3hfq s THR 330 CO 0.07 -0.20 0.11 -0.69 -0.69 0.00 0.00 174.62 173.23 3hfq s VAL 331 N 4.59 0.02 0.07 3.82 1.01 -0.69 -4.73 120.40 124.49 3hfq s VAL 331 Ca 0.70 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 3hfq s VAL 331 Cb -0.27 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 3hfq s VAL 331 CO 0.27 -0.54 1.77 -2.16 0.00 0.00 0.00 175.10 174.45 3hfq s PRO 332 N 2.07 4.16 -1.17 2.72 0.04 -1.26 -3.26 135.00 138.31 3hfq s PRO 332 Ca 0.06 2.47 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 3hfq s PRO 332 Cb -0.16 -3.73 0.05 0.00 0.04 0.00 0.00 34.50 30.71 3hfq s PRO 332 CO -0.25 -0.82 0.36 0.39 0.04 0.00 0.00 177.00 176.71 3hfq n GLU 333 N 6.09 -3.09 -1.79 4.56 1.02 -1.26 -4.64 120.64 121.52 3hfq n GLU 333 Ca 0.17 0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 57.37 3hfq n GLU 333 Cb 0.40 -5.14 -0.03 0.00 -0.02 0.00 0.00 31.44 26.65 3hfq n GLU 333 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hfq s GLY 334 N -2.53 1.40 0.00 0.62 0.00 -1.20 -2.11 107.32 103.48 3hfq s GLY 334 Ca 0.29 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.54 3hfq s GLY 334 CO 0.36 2.77 0.26 3.33 0.00 0.00 0.00 173.10 179.82 3hfq n VAL 335 N 3.80 0.03 -3.73 1.40 0.24 0.04 -3.17 118.33 116.95 3hfq n VAL 335 Ca 0.15 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.28 3hfq n VAL 335 Cb 0.36 1.50 -0.12 0.00 -1.47 0.00 0.00 33.84 34.11 3hfq n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hfq s VAL 337 N 0.99 2.80 -0.32 0.00 1.01 -1.26 -1.24 120.40 122.38 3hfq s VAL 337 Ca -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3hfq s VAL 337 Cb -0.08 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 34.03 3hfq s VAL 337 CO -0.07 0.28 0.07 -0.60 0.00 0.00 0.00 175.10 174.78 3hfq s ARG 338 N 1.34 1.03 0.36 2.72 6.06 -0.17 -4.80 118.95 125.49 3hfq s ARG 338 Ca 0.01 -1.35 -0.25 0.00 -2.50 0.00 0.00 55.73 51.64 3hfq s ARG 338 Cb -0.16 -2.45 -0.09 0.00 0.06 0.00 0.00 34.95 32.30 3hfq s ARG 338 CO -0.06 -0.95 1.01 -0.06 -2.50 0.00 0.00 175.30 172.74 3hfq s PHE 339 N 1.35 3.48 0.61 5.12 0.08 -1.26 -0.01 117.98 127.35 3hfq s PHE 339 Ca 0.09 1.71 -0.14 0.00 0.12 0.00 0.00 56.93 58.71 3hfq s PHE 339 Cb -0.18 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 3hfq s PHE 339 CO -0.18 -0.24 1.04 -0.51 -0.10 0.00 0.00 175.22 175.23 3hfq s LEU 340 N -2.30 3.40 0.00 -0.37 1.02 -0.64 -4.93 118.68 114.86 3hfq s LEU 340 Ca 0.53 1.65 0.00 0.00 0.02 0.00 0.00 54.13 56.34 3hfq s LEU 340 Cb -0.21 -4.51 0.00 0.00 0.02 0.00 0.00 46.19 41.49 3hfq s LEU 340 CO 0.27 -1.06 0.00 -0.62 0.02 0.00 0.00 176.35 174.95