#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3daq s HIS 3 N 0.00 2.29 0.21 4.78 4.02 -1.26 -4.92 115.29 120.41 3daq s HIS 3 Ca 0.00 1.57 -0.10 0.00 1.02 0.00 0.00 55.06 57.55 3daq s HIS 3 Cb 0.00 -3.39 0.22 0.00 -1.02 0.00 0.00 32.58 28.39 3daq s HIS 3 CO 0.00 -2.26 1.82 -0.07 1.02 0.00 0.00 174.74 175.26 3daq h LEU 4 N 0.11 0.62 -7.68 0.89 3.38 -1.99 -3.45 115.31 107.18 3daq h LEU 4 Ca -0.48 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.59 3daq h LEU 4 Cb 1.28 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 3daq h LEU 4 CO 0.52 0.41 0.30 0.72 0.09 0.00 0.00 178.44 180.49 3daq s PHE 5 N -6.10 -0.25 0.11 1.13 -0.71 -1.26 -4.72 117.98 106.18 3daq s PHE 5 Ca -0.13 -0.11 0.05 0.00 -1.04 0.00 0.00 56.93 55.69 3daq s PHE 5 Cb 0.16 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.59 3daq s PHE 5 CO 0.76 -1.03 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.29 3daq s GLU 6 N -3.69 0.93 2.55 1.99 2.02 -1.26 -4.94 118.70 116.30 3daq s GLU 6 Ca 0.09 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.89 3daq s GLU 6 Cb -0.04 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.50 3daq s GLU 6 CO 0.01 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.82 3daq n GLY 7 N 0.54 0.62 3.49 -1.39 0.00 0.25 -4.84 105.19 103.86 3daq n GLY 7 Ca -0.16 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3daq n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3daq s VAL 8 N 0.00 4.99 0.10 1.61 1.01 -1.26 -1.03 120.40 125.82 3daq s VAL 8 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3daq s VAL 8 Cb 0.00 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3daq s VAL 8 CO 0.00 -0.49 0.43 -0.83 0.00 0.00 0.00 175.10 174.21 3daq s GLY 9 N 1.89 2.36 -0.22 4.51 0.00 0.46 -0.59 107.32 115.73 3daq s GLY 9 Ca 0.16 -0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 3daq s GLY 9 CO 0.16 -0.11 0.13 0.14 0.00 0.00 0.00 173.10 173.41 3daq s VAL 10 N -1.43 5.18 -1.13 1.40 1.01 -0.21 -0.41 120.40 124.81 3daq s VAL 10 Ca 0.35 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 3daq s VAL 10 Cb -0.14 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3daq s VAL 10 CO 0.19 0.38 1.56 0.00 0.00 0.00 0.00 175.10 177.23 3daq s ALA 11 N 0.84 2.96 0.17 5.51 0.00 0.12 -0.63 121.76 130.72 3daq s ALA 11 Ca 0.07 -2.53 -0.31 0.00 0.00 0.00 0.00 51.96 49.19 3daq s ALA 11 Cb -0.13 -4.57 -0.09 0.00 0.00 0.00 0.00 23.12 18.33 3daq s ALA 11 CO 0.02 -3.48 1.47 -1.17 0.00 0.00 0.00 175.76 172.60 3daq s LEU 12 N 4.65 4.38 0.73 0.00 2.96 -0.52 -4.67 118.68 126.20 3daq s LEU 12 Ca 0.49 2.52 -0.11 0.00 -0.22 0.00 0.00 54.13 56.81 3daq s LEU 12 Cb 0.02 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.14 3daq s LEU 12 CO -0.03 -0.72 1.07 0.42 -1.32 0.00 0.00 176.35 175.77 3daq s THR 13 N 0.82 3.66 -0.24 3.68 -4.23 -1.26 -2.99 115.64 115.07 3daq s THR 13 Ca 0.65 0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 61.63 3daq s THR 13 Cb -0.41 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3daq s THR 13 CO 0.34 -0.70 0.06 -0.89 -0.54 0.00 0.00 174.62 172.88 3daq s THR 14 N -3.09 4.27 -0.12 3.99 2.01 -1.26 -4.87 115.64 116.58 3daq s THR 14 Ca 0.59 -0.19 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 3daq s THR 14 Cb -0.14 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3daq s THR 14 CO 0.55 0.36 0.76 -2.16 -0.69 0.00 0.00 174.62 173.43 3daq s PRO 15 N 1.47 4.36 -0.02 4.92 0.04 -1.26 -5.03 135.00 139.48 3daq s PRO 15 Ca 0.06 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.06 3daq s PRO 15 Cb -0.15 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3daq s PRO 15 CO 0.03 -0.13 -0.09 -0.06 0.04 0.00 0.00 177.00 176.79 3daq s PHE 16 N 1.47 2.83 -0.10 0.56 0.08 -1.26 -0.90 117.98 120.66 3daq s PHE 16 Ca 0.38 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 3daq s PHE 16 Cb -0.17 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 3daq s PHE 16 CO 0.16 0.31 -0.04 0.99 -0.10 0.00 0.00 175.22 176.53 3daq s THR 17 N -0.88 0.75 -1.45 0.64 2.01 -0.39 -1.07 115.64 115.26 3daq s THR 17 Ca 0.14 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 3daq s THR 17 Cb -0.11 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.61 3daq s THR 17 CO 0.04 0.32 0.61 0.59 -0.69 0.00 0.00 174.62 175.49 3daq n ASN 18 N 5.02 -1.54 -1.88 3.53 3.02 -1.26 -1.89 115.26 120.26 3daq n ASN 18 Ca -0.10 -0.94 -0.20 0.00 -0.03 0.00 0.00 54.58 53.31 3daq n ASN 18 Cb 0.50 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.28 3daq n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3daq n ASN 19 N -2.93 -5.61 -4.23 6.41 4.05 -1.26 -4.98 115.26 106.71 3daq n ASN 19 Ca -0.20 0.29 -0.28 0.00 0.45 0.00 0.00 54.58 54.84 3daq n ASN 19 Cb 0.63 -4.79 -0.16 0.00 1.23 0.00 0.00 39.78 36.69 3daq n ASN 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3daq s LYS 20 N -4.26 1.77 0.10 1.20 2.20 -0.79 -5.09 119.74 114.88 3daq s LYS 20 Ca 0.00 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 3daq s LYS 20 Cb 0.00 -1.69 -0.09 0.00 -1.51 0.00 0.00 37.83 34.54 3daq s LYS 20 CO 0.00 0.45 1.72 0.08 -0.36 0.00 0.00 175.35 177.24 3daq s VAL 21 N -0.47 2.77 -0.61 4.02 1.01 -1.26 -1.26 120.40 124.59 3daq s VAL 21 Ca 0.07 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 3daq s VAL 21 Cb -0.09 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.22 3daq s VAL 21 CO -0.01 0.00 0.70 0.21 0.00 0.00 0.00 175.10 176.01 3daq s ASN 22 N 2.39 6.24 0.34 3.32 3.84 -0.08 -4.88 114.94 126.10 3daq s ASN 22 Ca 0.76 -1.59 0.08 0.00 0.21 0.00 0.00 52.86 52.33 3daq s ASN 22 Cb -0.43 -2.29 0.60 0.00 -0.55 0.00 0.00 41.25 38.59 3daq s ASN 22 CO 0.34 -1.05 1.80 -0.07 -2.79 0.00 0.00 177.10 175.33 3daq h LEU 23 N 9.71 0.22 -0.41 3.21 3.38 -1.91 -0.77 115.31 128.75 3daq h LEU 23 Ca -0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3daq h LEU 23 Cb 1.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3daq h LEU 23 CO 1.07 0.52 0.08 -0.33 0.09 0.00 0.00 178.44 179.87 3daq h GLU 24 N 0.20 0.67 -0.42 1.13 3.07 -1.99 -0.66 114.58 116.59 3daq h GLU 24 Ca 0.03 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.62 3daq h GLU 24 Cb 0.63 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3daq h GLU 24 CO 0.05 0.70 -0.16 0.00 -1.40 0.00 0.00 179.01 178.20 3daq h ALA 25 N 0.94 0.94 -0.17 3.43 0.00 -1.86 -1.03 119.26 121.51 3daq h ALA 25 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3daq h ALA 25 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3daq h ALA 25 CO 0.01 0.61 0.11 1.25 0.00 0.00 0.00 179.25 181.23 3daq h LEU 26 N 0.69 0.20 -0.58 0.00 5.85 -0.90 0.94 115.31 121.52 3daq h LEU 26 Ca 0.11 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3daq h LEU 26 Cb 0.65 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3daq h LEU 26 CO 0.05 0.17 0.12 0.11 -0.34 0.00 0.00 178.44 178.54 3daq h LYS 27 N 0.22 0.94 -0.74 1.25 1.57 -1.00 -0.69 116.57 118.12 3daq h LYS 27 Ca 0.06 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 3daq h LYS 27 Cb 0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3daq h LYS 27 CO -0.01 0.89 0.26 0.00 -0.57 0.00 0.00 179.45 180.01 3daq h ALA 28 N 1.02 1.06 -0.24 3.86 0.00 -0.97 -0.14 119.26 123.84 3daq h ALA 28 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3daq h ALA 28 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3daq h ALA 28 CO 0.01 0.65 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 3daq h HIS 29 N 1.09 0.49 -0.79 0.00 -0.00 -0.50 -0.82 115.15 114.62 3daq h HIS 29 Ca 0.24 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 3daq h HIS 29 Cb 0.26 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 3daq h HIS 29 CO 0.02 0.66 0.51 0.28 -0.00 0.00 0.00 177.93 179.40 3daq h VAL 30 N 0.19 1.17 -0.80 5.26 2.07 -0.97 -0.88 116.25 122.28 3daq h VAL 30 Ca 0.06 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3daq h VAL 30 Cb 0.49 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3daq h VAL 30 CO 0.02 0.19 0.45 0.78 0.02 0.00 0.00 177.57 179.03 3daq h ASN 31 N 1.03 0.97 -0.65 0.57 2.35 -0.81 -0.22 115.58 118.82 3daq h ASN 31 Ca 0.30 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3daq h ASN 31 Cb -0.07 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 3daq h ASN 31 CO -0.08 0.77 0.23 0.15 -1.65 0.00 0.00 177.43 176.85 3daq h PHE 32 N 1.10 1.02 -0.52 1.19 3.57 -0.41 -0.58 116.94 122.32 3daq h PHE 32 Ca 0.28 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3daq h PHE 32 Cb -0.00 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3daq h PHE 32 CO 0.01 0.82 0.04 -0.07 -2.23 0.00 0.00 178.31 176.87 3daq h LEU 33 N 0.93 0.87 -0.50 0.59 3.38 -0.59 -2.13 115.31 117.87 3daq h LEU 33 Ca 0.21 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3daq h LEU 33 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3daq h LEU 33 CO -0.01 0.94 0.16 -0.07 0.09 0.00 0.00 178.44 179.55 3daq h LEU 34 N 0.77 0.73 -2.10 1.67 3.38 -0.89 -2.11 115.31 116.75 3daq h LEU 34 Ca 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3daq h LEU 34 Cb 0.48 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3daq h LEU 34 CO 0.02 0.74 -0.07 -0.08 0.09 0.00 0.00 178.44 179.14 3daq h GLU 35 N 0.67 0.00 -0.33 1.13 4.57 -0.93 -3.14 114.58 116.55 3daq h GLU 35 Ca 0.16 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.15 3daq h GLU 35 Cb 0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.74 3daq h GLU 35 CO -0.01 0.07 -0.21 0.09 -1.18 0.00 0.00 179.01 177.78 3daq n ASN 36 N -3.92 2.67 -0.51 1.04 4.13 -0.82 -4.97 115.26 112.88 3daq n ASN 36 Ca -0.03 -3.82 -0.06 0.00 1.68 0.00 0.00 54.58 52.36 3daq n ASN 36 Cb 0.16 -0.60 -0.02 0.00 -1.54 0.00 0.00 39.78 37.78 3daq n ASN 36 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3daq n ASN 37 N -1.09 -3.15 -4.70 6.41 5.15 -1.09 -1.95 115.26 114.84 3daq n ASN 37 Ca 0.32 0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.98 3daq n ASN 37 Cb 0.95 -1.67 0.01 0.00 -0.53 0.00 0.00 39.78 38.54 3daq n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3daq n ALA 38 N 0.18 1.34 0.53 5.20 0.00 -0.84 -4.88 120.51 122.04 3daq n ALA 38 Ca -0.06 0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.75 3daq n ALA 38 Cb 0.33 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.37 3daq n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3daq n GLN 39 N 0.08 0.48 -3.52 0.00 1.13 0.25 -4.88 117.38 110.92 3daq n GLN 39 Ca 0.06 -0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 54.94 3daq n GLN 39 Cb 0.39 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 3daq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3daq s ALA 40 N -3.13 -1.83 -0.15 -1.58 0.00 -1.23 -4.17 121.76 109.66 3daq s ALA 40 Ca 0.01 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3daq s ALA 40 Cb 0.14 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3daq s ALA 40 CO 0.84 -0.54 -0.15 0.42 0.00 0.00 0.00 175.76 176.33 3daq s ILE 41 N -2.33 1.62 -0.30 0.00 1.01 -0.56 -1.04 121.20 119.59 3daq s ILE 41 Ca 0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 3daq s ILE 41 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3daq s ILE 41 CO -0.04 0.47 0.27 -0.63 0.00 0.00 0.00 174.94 175.00 3daq s ILE 42 N 1.46 5.25 -0.05 2.92 1.09 0.19 -0.99 121.20 131.07 3daq s ILE 42 Ca 0.05 0.19 0.01 0.00 -1.10 0.00 0.00 60.65 59.79 3daq s ILE 42 Cb -0.13 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 3daq s ILE 42 CO -0.11 0.14 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.14 3daq s VAL 43 N 1.86 3.88 -1.34 2.92 1.01 0.20 -1.44 120.40 127.49 3daq s VAL 43 Ca 0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3daq s VAL 43 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.59 3daq s VAL 43 CO 0.11 0.53 0.77 0.59 0.00 0.00 0.00 175.10 177.11 3daq n ASN 44 N 1.97 -5.83 -0.81 3.32 3.02 -1.26 -0.33 115.26 115.34 3daq n ASN 44 Ca -0.17 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 3daq n ASN 44 Cb 0.53 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 3daq n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3daq n GLY 45 N -1.63 1.25 0.29 7.41 0.00 -1.26 -4.34 105.19 106.92 3daq n GLY 45 Ca -0.06 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 3daq n GLY 45 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3daq h THR 46 N -0.01 1.05 0.00 2.61 2.02 -1.95 -2.17 112.91 114.46 3daq h THR 46 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3daq h THR 46 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3daq h THR 46 CO 0.00 0.16 0.00 0.74 0.37 0.00 0.00 175.52 176.79 3daq h THR 47 N 0.88 0.00 0.00 3.16 2.02 -1.84 -2.10 112.91 115.03 3daq h THR 47 Ca 0.33 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3daq h THR 47 Cb 0.12 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3daq h THR 47 CO -0.15 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.74 3daq n ALA 48 N -2.09 2.59 -3.01 6.16 0.00 -0.84 -4.32 120.51 119.00 3daq n ALA 48 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 3daq n ALA 48 Cb 0.42 -1.50 0.04 0.00 0.00 0.00 0.00 19.45 18.40 3daq n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3daq n GLU 49 N -1.12 -4.58 -0.32 0.00 1.02 -0.79 -4.30 120.64 110.56 3daq n GLU 49 Ca 0.20 0.67 0.16 0.00 -0.02 0.00 0.00 57.16 58.17 3daq n GLU 49 Cb 0.17 -5.10 0.40 0.00 -0.02 0.00 0.00 31.44 26.89 3daq n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3daq h SER 50 N -1.42 0.63 -0.01 1.62 4.64 -1.69 -0.90 113.55 116.42 3daq h SER 50 Ca -0.42 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3daq h SER 50 Cb 1.28 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3daq h SER 50 CO 0.43 0.22 0.05 -0.65 -0.87 0.00 0.00 176.83 176.02 3daq h PRO 51 N 0.61 0.00 -0.07 4.77 0.11 -1.91 -2.57 132.00 132.94 3daq h PRO 51 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3daq h PRO 51 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3daq h PRO 51 CO -0.31 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.73 3daq n THR 52 N -3.23 0.15 -2.93 -1.15 -2.24 -0.35 -4.98 114.28 99.54 3daq n THR 52 Ca -0.03 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.82 3daq n THR 52 Cb 0.13 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3daq n THR 52 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3daq s LEU 53 N -1.03 4.30 0.72 3.22 1.43 -0.97 -5.06 118.68 121.29 3daq s LEU 53 Ca 0.16 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3daq s LEU 53 Cb 0.11 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3daq s LEU 53 CO 0.16 -0.05 1.07 0.42 0.23 0.00 0.00 176.35 178.18 3daq s THR 54 N -1.63 3.77 0.23 5.49 -4.23 -1.26 -4.88 115.64 113.12 3daq s THR 54 Ca 0.48 0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 61.49 3daq s THR 54 Cb -0.17 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.52 3daq s THR 54 CO 0.22 -0.75 1.85 0.74 -0.54 0.00 0.00 174.62 176.14 3daq h THR 55 N -0.79 1.25 -0.82 3.99 2.02 -1.97 -0.93 112.91 115.65 3daq h THR 55 Ca -0.45 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 3daq h THR 55 Cb 1.23 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3daq h THR 55 CO 0.58 0.28 0.40 0.44 0.37 0.00 0.00 175.52 177.59 3daq h ASP 56 N 1.22 1.07 -0.28 4.18 3.32 -1.99 -0.92 116.42 123.02 3daq h ASP 56 Ca 0.31 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3daq h ASP 56 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3daq h ASP 56 CO -0.05 0.90 0.14 -0.33 -1.72 0.00 0.00 179.24 178.18 3daq h GLU 57 N 1.16 0.39 -0.33 3.56 5.08 -1.81 -0.41 114.58 122.23 3daq h GLU 57 Ca 0.28 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3daq h GLU 57 Cb 0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3daq h GLU 57 CO -0.04 0.37 0.17 0.87 -1.00 0.00 0.00 179.01 179.38 3daq h LYS 58 N 0.32 0.34 -0.50 2.33 1.57 -0.83 0.71 116.57 120.50 3daq h LYS 58 Ca 0.10 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3daq h LYS 58 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3daq h LYS 58 CO -0.01 0.22 -0.08 0.93 -0.57 0.00 0.00 179.45 179.94 3daq h GLU 59 N 0.35 0.89 -0.28 3.15 5.08 -1.06 -0.89 114.58 121.83 3daq h GLU 59 Ca 0.13 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3daq h GLU 59 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3daq h GLU 59 CO -0.09 0.94 0.09 1.25 -1.00 0.00 0.00 179.01 180.20 3daq h LEU 60 N 0.81 0.40 -0.17 1.33 5.85 -0.70 -1.11 115.31 121.71 3daq h LEU 60 Ca 0.14 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3daq h LEU 60 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3daq h LEU 60 CO 0.04 0.49 0.09 0.40 -0.34 0.00 0.00 178.44 179.12 3daq h ILE 61 N 0.28 1.01 -0.23 4.05 2.04 -0.79 -1.08 117.51 122.80 3daq h ILE 61 Ca 0.09 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3daq h ILE 61 Cb 0.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3daq h ILE 61 CO -0.00 0.04 0.12 0.25 0.00 0.00 0.00 178.15 178.55 3daq h LEU 62 N 0.19 0.29 -0.69 1.44 5.85 -1.06 -0.97 115.31 120.36 3daq h LEU 62 Ca 0.07 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3daq h LEU 62 Cb 0.01 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3daq h LEU 62 CO -0.04 0.31 0.40 0.50 -0.34 0.00 0.00 178.44 179.27 3daq h LYS 63 N 0.24 0.95 -0.40 1.25 1.63 -1.13 -0.02 116.57 119.09 3daq h LYS 63 Ca 0.08 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3daq h LYS 63 Cb 0.09 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 3daq h LYS 63 CO -0.01 0.69 0.24 1.15 -3.45 0.00 0.00 179.45 178.07 3daq h THR 64 N 0.94 1.05 -0.20 1.00 2.02 -0.80 -0.65 112.91 116.27 3daq h THR 64 Ca 0.25 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 3daq h THR 64 Cb 0.00 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3daq h THR 64 CO -0.04 0.09 -0.04 0.58 0.37 0.00 0.00 175.52 176.47 3daq h VAL 65 N 0.48 1.28 -0.37 3.16 2.07 -0.90 -1.63 116.25 120.35 3daq h VAL 65 Ca 0.16 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3daq h VAL 65 Cb 0.00 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3daq h VAL 65 CO -0.07 0.31 0.05 0.40 0.02 0.00 0.00 177.57 178.28 3daq h ILE 66 N 0.10 0.79 -0.48 4.57 2.04 -0.83 0.02 117.51 123.72 3daq h ILE 66 Ca 0.05 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 3daq h ILE 66 Cb 0.49 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3daq h ILE 66 CO 0.02 0.03 -0.14 0.44 0.00 0.00 0.00 178.15 178.50 3daq h ASP 67 N 0.17 0.93 -0.05 1.72 3.32 -1.06 -0.76 116.42 120.69 3daq h ASP 67 Ca 0.18 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3daq h ASP 67 Cb 0.22 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3daq h ASP 67 CO -0.25 1.07 -0.03 0.25 -1.72 0.00 0.00 179.24 178.55 3daq h LEU 68 N 0.82 0.11 -0.88 1.55 5.85 -0.96 -3.23 115.31 118.57 3daq h LEU 68 Ca 0.12 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 3daq h LEU 68 Cb 0.68 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3daq h LEU 68 CO 0.05 0.54 0.27 0.58 -0.34 0.00 0.00 178.44 179.54 3daq h VAL 69 N -0.31 1.25 -6.10 1.05 2.07 -0.99 -3.47 116.25 109.75 3daq h VAL 69 Ca 0.01 -0.81 -0.23 0.00 0.82 0.00 0.00 66.70 66.48 3daq h VAL 69 Cb 0.50 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3daq h VAL 69 CO 0.01 0.33 -0.49 -0.67 0.02 0.00 0.00 177.57 176.77 3daq n ASP 70 N -4.28 -2.05 0.00 0.57 2.03 -0.29 -1.75 116.55 110.78 3daq n ASP 70 Ca 0.06 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.90 3daq n ASP 70 Cb 0.19 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 3daq n ASP 70 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3daq n LYS 71 N -1.73 -0.21 -0.02 -0.67 4.76 -1.26 -4.90 118.16 114.13 3daq n LYS 71 Ca -0.13 0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.27 3daq n LYS 71 Cb 0.30 -3.15 0.06 0.00 -1.84 0.00 0.00 35.03 30.40 3daq n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3daq h ARG 72 N 1.30 0.61 -4.05 1.97 3.08 -1.73 -3.45 114.38 112.13 3daq h ARG 72 Ca 0.00 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 3daq h ARG 72 Cb 0.10 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 3daq h ARG 72 CO 0.00 0.95 -0.51 0.14 -1.07 0.00 0.00 179.97 179.48 3daq s VAL 73 N -4.15 0.16 0.33 2.04 -7.23 -1.26 -5.06 120.40 105.24 3daq s VAL 73 Ca -0.08 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 3daq s VAL 73 Cb 0.12 -1.53 -0.11 0.00 0.56 0.00 0.00 36.38 35.42 3daq s VAL 73 CO 0.84 -0.73 1.41 -2.84 -0.31 0.00 0.00 175.10 173.47 3daq s PRO 74 N -3.91 4.23 -0.29 4.82 0.02 -1.26 -4.86 135.00 133.76 3daq s PRO 74 Ca 0.09 2.39 -0.07 0.00 0.02 0.00 0.00 61.00 63.42 3daq s PRO 74 Cb 0.06 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3daq s PRO 74 CO -0.08 -0.38 0.09 0.08 -0.33 0.00 0.00 177.00 176.37 3daq s VAL 75 N -0.90 4.09 -0.24 3.83 1.01 -1.26 -1.50 120.40 125.42 3daq s VAL 75 Ca 0.53 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3daq s VAL 75 Cb -0.43 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 3daq s VAL 75 CO 0.55 0.12 -0.02 -0.63 0.00 0.00 0.00 175.10 175.13 3daq s ILE 76 N 1.53 3.48 -0.25 2.22 1.01 -0.16 -1.20 121.20 127.83 3daq s ILE 76 Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3daq s ILE 76 Cb -0.17 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3daq s ILE 76 CO 0.03 0.33 0.47 0.00 0.00 0.00 0.00 174.94 175.77 3daq s ALA 77 N 1.47 3.58 -0.26 9.38 0.00 -0.16 -0.63 121.76 135.14 3daq s ALA 77 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3daq s ALA 77 Cb -0.15 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3daq s ALA 77 CO -0.02 -0.64 1.52 0.20 0.00 0.00 0.00 175.76 176.82 3daq s GLY 78 N 1.47 1.25 0.00 0.00 0.00 0.55 -0.74 107.32 109.85 3daq s GLY 78 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3daq s GLY 78 CO 0.09 2.88 0.00 -1.30 0.00 0.00 0.00 173.10 174.77 3daq n THR 79 N 6.41 0.00 -2.70 0.90 -2.24 -0.99 -4.75 114.28 110.91 3daq n THR 79 Ca 0.18 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 3daq n THR 79 Cb 0.46 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 3daq n THR 79 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3daq s GLY 80 N -0.83 3.07 0.00 3.38 0.00 -1.13 -4.58 107.32 107.22 3daq s GLY 80 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3daq s GLY 80 CO 0.00 1.32 0.00 -1.30 0.00 0.00 0.00 173.10 173.12 3daq n THR 81 N 1.86 0.00 0.35 0.90 -2.24 -1.26 -4.51 114.28 109.38 3daq n THR 81 Ca -0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3daq n THR 81 Cb 0.47 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.90 3daq n THR 81 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3daq n ASN 82 N -1.21 2.85 -3.92 3.42 6.94 -1.26 -4.53 115.26 117.55 3daq n ASN 82 Ca 0.00 -2.26 -0.29 0.00 -0.02 0.00 0.00 54.58 52.01 3daq n ASN 82 Cb 0.00 -0.44 -0.16 0.00 -2.36 0.00 0.00 39.78 36.82 3daq n ASN 82 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3daq s ASP 83 N -0.70 3.39 0.10 0.53 -1.08 -1.26 -4.88 116.67 112.78 3daq s ASP 83 Ca 0.28 -0.94 -0.19 0.00 -0.52 0.00 0.00 52.55 51.18 3daq s ASP 83 Cb 0.18 -1.06 -0.07 0.00 -1.46 0.00 0.00 42.92 40.51 3daq s ASP 83 CO 0.13 -0.21 1.61 0.74 0.52 0.00 0.00 175.17 177.96 3daq h THR 84 N 6.52 1.20 -0.47 1.71 2.02 -1.97 -0.77 112.91 121.16 3daq h THR 84 Ca -0.21 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3daq h THR 84 Cb 1.09 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3daq h THR 84 CO 0.41 0.21 0.29 -0.08 0.37 0.00 0.00 175.52 176.72 3daq h GLU 85 N 0.25 0.63 -0.30 6.66 4.57 -1.98 0.15 114.58 124.55 3daq h GLU 85 Ca 0.08 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3daq h GLU 85 Cb 0.25 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3daq h GLU 85 CO -0.00 0.45 -0.15 0.87 -1.18 0.00 0.00 179.01 179.00 3daq h LYS 86 N 0.62 0.53 -0.64 1.92 1.57 -1.95 -2.10 116.57 116.52 3daq h LYS 86 Ca 0.17 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3daq h LYS 86 Cb -0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3daq h LYS 86 CO -0.03 0.66 0.19 0.77 -0.57 0.00 0.00 179.45 180.48 3daq h SER 87 N 0.49 0.90 0.00 0.86 0.02 -0.48 -1.19 113.55 114.15 3daq h SER 87 Ca 0.09 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3daq h SER 87 Cb 0.54 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3daq h SER 87 CO 0.03 0.85 -0.00 0.40 -1.14 0.00 0.00 176.83 176.97 3daq h ILE 88 N 0.94 1.03 -0.22 3.27 2.04 -0.46 -0.92 117.51 123.19 3daq h ILE 88 Ca 0.21 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3daq h ILE 88 Cb 0.27 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3daq h ILE 88 CO -0.01 0.03 0.05 1.56 0.00 0.00 0.00 178.15 179.78 3daq h GLN 89 N -0.05 0.14 -0.63 2.37 1.08 -1.12 -0.74 115.11 116.16 3daq h GLN 89 Ca -0.00 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3daq h GLN 89 Cb 0.05 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3daq h GLN 89 CO 0.00 0.09 0.23 0.00 -0.95 0.00 0.00 178.83 178.20 3daq h ALA 90 N 1.16 1.23 -0.25 3.87 0.00 -1.14 -1.82 119.26 122.30 3daq h ALA 90 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3daq h ALA 90 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3daq h ALA 90 CO -0.13 0.56 -0.19 0.77 0.00 0.00 0.00 179.25 180.26 3daq h SER 91 N 0.91 0.61 -0.78 0.00 0.02 -0.75 -0.46 113.55 113.10 3daq h SER 91 Ca 0.21 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3daq h SER 91 Cb 0.20 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3daq h SER 91 CO -0.02 0.92 0.51 0.40 -1.14 0.00 0.00 176.83 177.51 3daq h ILE 92 N 0.30 1.20 -0.30 3.27 2.04 -0.98 -1.51 117.51 121.53 3daq h ILE 92 Ca 0.05 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 3daq h ILE 92 Cb 0.73 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3daq h ILE 92 CO 0.05 0.20 -0.35 -0.61 0.00 0.00 0.00 178.15 177.44 3daq h GLN 93 N 1.06 0.67 -0.69 2.37 5.75 -1.15 -1.67 115.11 121.44 3daq h GLN 93 Ca 0.28 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3daq h GLN 93 Cb -0.12 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 3daq h GLN 93 CO -0.06 0.92 0.37 0.00 -2.65 0.00 0.00 178.83 177.40 3daq h ALA 94 N 1.06 0.89 -0.60 3.38 0.00 -0.69 -1.09 119.26 122.20 3daq h ALA 94 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3daq h ALA 94 Cb 0.86 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3daq h ALA 94 CO 0.07 0.41 0.36 -0.22 0.00 0.00 0.00 179.25 179.88 3daq h LYS 95 N 0.95 0.82 -0.28 0.00 3.64 -1.05 -1.64 116.57 119.01 3daq h LYS 95 Ca 0.24 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3daq h LYS 95 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3daq h LYS 95 CO -0.04 0.60 0.06 0.00 -2.27 0.00 0.00 179.45 177.80 3daq h ALA 96 N 1.18 1.59 0.00 5.00 0.00 -0.80 -1.25 119.26 124.98 3daq h ALA 96 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3daq h ALA 96 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3daq h ALA 96 CO -0.04 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.80 3daq n LEU 97 N -4.37 0.63 0.00 0.00 4.77 -0.46 -4.91 117.00 112.66 3daq n LEU 97 Ca 0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3daq n LEU 97 Cb 0.17 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3daq n LEU 97 CO 0.37 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3daq n GLY 98 N 0.79 1.35 3.75 -0.72 0.00 -0.47 -4.90 105.19 104.99 3daq n GLY 98 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3daq n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daq s ALA 99 N -2.00 2.76 -0.24 4.61 0.00 -0.66 -4.93 121.76 121.30 3daq s ALA 99 Ca 0.00 1.25 0.20 0.00 0.00 0.00 0.00 51.96 53.42 3daq s ALA 99 Cb 0.00 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.63 3daq s ALA 99 CO 0.00 -1.31 1.17 -0.44 0.00 0.00 0.00 175.76 175.17 3daq h ASP 100 N 1.36 0.00 -4.99 0.00 3.32 -1.50 -3.44 116.42 111.17 3daq h ASP 100 Ca -0.51 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.62 3daq h ASP 100 Cb 1.30 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.75 3daq h ASP 100 CO 0.57 0.19 0.33 0.00 -1.72 0.00 0.00 179.24 178.61 3daq s ALA 101 N -3.18 -1.56 0.17 3.45 0.00 -1.19 -4.23 121.76 115.22 3daq s ALA 101 Ca 0.01 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.39 3daq s ALA 101 Cb 0.08 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3daq s ALA 101 CO 0.76 -0.88 -0.22 0.96 0.00 0.00 0.00 175.76 176.38 3daq s ILE 102 N -3.57 2.14 -0.10 0.00 -4.36 -0.14 -0.99 121.20 114.18 3daq s ILE 102 Ca 0.07 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3daq s ILE 102 Cb -0.02 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 3daq s ILE 102 CO -0.04 -0.15 -0.18 -0.32 0.24 0.00 0.00 174.94 174.49 3daq s MET 103 N -2.60 3.05 -0.25 0.37 -2.45 0.09 -0.46 119.30 117.04 3daq s MET 103 Ca 0.18 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 3daq s MET 103 Cb -0.08 -2.44 0.07 0.00 1.25 0.00 0.00 34.83 33.63 3daq s MET 103 CO 0.08 0.28 -0.05 -0.51 1.05 0.00 0.00 175.02 175.87 3daq s LEU 104 N 0.13 3.02 0.65 4.11 1.43 0.25 -2.35 118.68 125.91 3daq s LEU 104 Ca -0.09 -1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 51.50 3daq s LEU 104 Cb -0.15 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 3daq s LEU 104 CO 0.06 -0.24 1.13 -0.51 0.23 0.00 0.00 176.35 177.02 3daq s ILE 105 N 1.27 3.05 0.83 -0.59 2.07 -1.26 -0.90 121.20 125.67 3daq s ILE 105 Ca -0.05 0.52 -0.11 0.00 -1.41 0.00 0.00 60.65 59.60 3daq s ILE 105 Cb -0.19 -3.06 0.09 0.00 0.13 0.00 0.00 42.46 39.43 3daq s ILE 105 CO -0.07 -0.27 1.14 0.42 -1.91 0.00 0.00 174.94 174.25 3daq s THR 106 N -2.17 2.50 1.02 4.00 -4.23 -0.82 -4.73 115.64 111.20 3daq s THR 106 Ca 0.69 0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 3daq s THR 106 Cb -0.23 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.24 3daq s THR 106 CO 0.40 -0.19 0.33 -2.65 -0.54 0.00 0.00 174.62 171.97 3daq n PRO 107 N -3.67 -0.85 -3.49 3.99 -0.02 -1.26 -4.79 135.00 124.91 3daq n PRO 107 Ca 0.11 -0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.24 3daq n PRO 107 Cb 0.52 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3daq n PRO 107 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3daq s TYR 108 N -2.35 -0.54 0.00 6.00 1.13 -1.26 -4.54 117.35 115.78 3daq s TYR 108 Ca 0.58 0.60 0.00 0.00 -1.41 0.00 0.00 57.07 56.83 3daq s TYR 108 Cb -0.18 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 3daq s TYR 108 CO 0.66 -0.73 0.00 0.98 -2.51 0.00 0.00 175.55 173.96 3daq n TYR 109 N 0.19 0.00 0.01 -3.49 9.36 -1.26 -3.79 117.16 118.17 3daq n TYR 109 Ca -0.18 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.94 3daq n TYR 109 Cb 0.61 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.37 3daq n TYR 109 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 3daq h ASN 110 N 0.00 0.62 -0.80 2.98 7.08 -1.92 -3.50 115.58 120.04 3daq h ASN 110 Ca 0.00 -0.35 0.00 0.00 -3.08 0.00 0.00 56.30 52.87 3daq h ASN 110 Cb 0.00 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.06 3daq h ASN 110 CO 0.00 1.07 0.00 0.29 -2.08 0.00 0.00 177.43 176.71 3daq n LYS 111 N -3.94 0.00 -3.90 4.14 5.02 -1.25 -5.02 118.16 113.22 3daq n LYS 111 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 3daq n LYS 111 Cb 0.63 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.66 3daq n LYS 111 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3daq s THR 112 N 0.00 0.00 0.70 -0.18 -1.32 -1.26 -4.78 115.64 108.80 3daq s THR 112 Ca 0.00 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 59.95 3daq s THR 112 Cb 0.00 -2.94 0.13 0.00 -1.51 0.00 0.00 72.50 68.17 3daq s THR 112 CO 0.00 0.00 0.97 0.54 -2.21 0.00 0.00 174.62 173.92 3daq s ASN 113 N -3.47 4.43 0.30 8.08 2.20 -1.26 -4.90 114.94 120.32 3daq s ASN 113 Ca 0.23 -0.53 0.04 0.00 -0.94 0.00 0.00 52.86 51.66 3daq s ASN 113 Cb -0.03 0.17 0.47 0.00 -2.00 0.00 0.00 41.25 39.86 3daq s ASN 113 CO 0.05 -1.82 1.75 1.56 -2.94 0.00 0.00 177.10 175.71 3daq h GLN 114 N -0.42 0.45 -0.88 3.55 1.08 -1.99 -0.90 115.11 115.99 3daq h GLN 114 Ca -0.34 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 56.68 3daq h GLN 114 Cb 1.27 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 3daq h GLN 114 CO 0.39 0.65 0.47 0.00 -0.95 0.00 0.00 178.83 179.38 3daq h ARG 115 N 0.40 1.23 -0.64 1.46 3.08 -2.00 -1.96 114.38 115.95 3daq h ARG 115 Ca 0.06 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3daq h ARG 115 Cb 0.62 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3daq h ARG 115 CO 0.04 0.91 0.14 0.78 -1.07 0.00 0.00 179.97 180.78 3daq h GLY 116 N 1.24 1.09 1.00 0.04 0.00 -1.78 -1.80 103.07 102.85 3daq h GLY 116 Ca 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3daq h GLY 116 CO -0.05 0.62 0.42 1.41 0.00 0.00 0.00 176.54 178.94 3daq h LEU 117 N 0.96 0.78 -0.11 3.11 3.38 -0.77 0.32 115.31 122.98 3daq h LEU 117 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3daq h LEU 117 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3daq h LEU 117 CO 0.00 0.59 0.06 0.58 0.09 0.00 0.00 178.44 179.77 3daq h VAL 118 N 0.90 1.07 -0.57 1.22 2.07 -1.05 -0.72 116.25 119.16 3daq h VAL 118 Ca 0.24 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3daq h VAL 118 Cb -0.06 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3daq h VAL 118 CO -0.05 0.06 0.32 0.11 0.02 0.00 0.00 177.57 178.03 3daq h LYS 119 N 0.11 0.79 0.79 1.57 1.57 -1.10 -1.03 116.57 119.27 3daq h LYS 119 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3daq h LYS 119 Cb 0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3daq h LYS 119 CO -0.01 0.60 -0.47 1.25 -0.57 0.00 0.00 179.45 180.25 3daq h HIS 120 N 0.77 -1.25 -0.66 -1.35 2.76 -0.76 -0.04 115.15 114.61 3daq h HIS 120 Ca 0.20 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3daq h HIS 120 Cb 0.03 0.44 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3daq h HIS 120 CO -0.01 -0.71 0.25 0.74 -1.30 0.00 0.00 177.93 176.89 3daq h PHE 121 N -1.18 1.02 -0.45 5.26 0.04 -1.16 -2.42 116.94 118.05 3daq h PHE 121 Ca -0.11 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.46 3daq h PHE 121 Cb 0.94 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3daq h PHE 121 CO -0.08 0.81 -0.19 0.93 -0.60 0.00 0.00 178.31 179.18 3daq h GLU 122 N 0.94 0.90 -0.54 1.51 5.08 -1.18 -0.58 114.58 120.71 3daq h GLU 122 Ca 0.22 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3daq h GLU 122 Cb 0.23 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3daq h GLU 122 CO -0.02 1.01 0.35 0.00 -1.00 0.00 0.00 179.01 179.36 3daq h ALA 123 N 0.99 0.69 -0.19 3.43 0.00 -0.81 0.13 119.26 123.50 3daq h ALA 123 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3daq h ALA 123 Cb 0.74 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3daq h ALA 123 CO 0.06 0.10 -0.13 0.82 0.00 0.00 0.00 179.25 180.10 3daq h ILE 124 N 0.71 1.32 -0.59 0.00 2.04 -1.23 -2.03 117.51 117.73 3daq h ILE 124 Ca 0.21 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.87 3daq h ILE 124 Cb -0.05 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3daq h ILE 124 CO -0.06 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.79 3daq h ALA 125 N 0.67 0.77 -0.65 1.87 0.00 -0.94 -0.84 119.26 120.13 3daq h ALA 125 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3daq h ALA 125 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3daq h ALA 125 CO 0.04 0.00 0.42 -0.44 0.00 0.00 0.00 179.25 179.27 3daq h ASP 126 N 0.62 0.72 -0.26 0.00 3.32 -0.65 -1.26 116.42 118.91 3daq h ASP 126 Ca 0.25 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3daq h ASP 126 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3daq h ASP 126 CO -0.15 0.51 -0.17 0.00 -1.72 0.00 0.00 179.24 177.71 3daq h ALA 127 N 1.25 0.37 0.06 3.45 0.00 -0.91 -3.35 119.26 120.14 3daq h ALA 127 Ca 0.25 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 3daq h ALA 127 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3daq h ALA 127 CO -0.07 0.28 -1.41 -0.24 0.00 0.00 0.00 179.25 177.80 3daq h VAL 128 N 0.29 1.25 -6.42 0.00 3.04 -1.01 -3.48 116.25 109.93 3daq h VAL 128 Ca 0.05 -2.96 -0.48 0.00 -1.01 0.00 0.00 66.70 62.30 3daq h VAL 128 Cb 0.69 2.71 -0.01 0.00 -2.01 0.00 0.00 31.29 32.68 3daq h VAL 128 CO 0.05 0.79 -0.90 0.29 -1.01 0.00 0.00 177.57 176.79 3daq n LYS 129 N -3.34 -2.72 -3.84 4.17 5.02 -0.49 -4.98 118.16 111.99 3daq n LYS 129 Ca -0.12 0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 56.47 3daq n LYS 129 Cb 1.02 -4.38 -0.10 0.00 -0.02 0.00 0.00 35.03 31.55 3daq n LYS 129 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3daq s LEU 130 N -6.84 1.37 0.20 -0.35 2.96 -1.26 -5.12 118.68 109.64 3daq s LEU 130 Ca 0.15 -0.07 -0.32 0.00 -0.22 0.00 0.00 54.13 53.67 3daq s LEU 130 Cb -0.06 0.80 -0.15 0.00 0.50 0.00 0.00 46.19 47.28 3daq s LEU 130 CO 0.88 -0.35 1.27 -2.65 -1.32 0.00 0.00 176.35 174.18 3daq n PRO 131 N 1.62 1.53 -4.98 0.98 -0.02 -1.26 -4.78 135.00 128.09 3daq n PRO 131 Ca -0.21 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 3daq n PRO 131 Cb 0.56 -2.11 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 3daq n PRO 131 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3daq s VAL 132 N -0.12 2.63 -0.30 -1.45 1.01 0.15 -0.97 120.40 121.35 3daq s VAL 132 Ca 0.71 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 3daq s VAL 132 Cb -0.77 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3daq s VAL 132 CO 0.51 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 175.59 3daq s VAL 133 N 0.26 4.46 0.63 2.92 1.01 0.39 -1.36 120.40 128.70 3daq s VAL 133 Ca -0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3daq s VAL 133 Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3daq s VAL 133 CO 0.07 0.11 1.09 -0.76 0.00 0.00 0.00 175.10 175.60 3daq s LEU 134 N 1.60 3.46 -0.11 3.92 1.43 0.21 -0.58 118.68 128.60 3daq s LEU 134 Ca 0.04 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.07 3daq s LEU 134 Cb -0.17 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.55 3daq s LEU 134 CO 0.05 -1.43 0.05 -0.47 0.23 0.00 0.00 176.35 174.78 3daq s TYR 135 N -2.33 0.38 -0.24 0.29 5.04 -0.08 0.41 117.35 120.83 3daq s TYR 135 Ca 0.66 -0.18 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 3daq s TYR 135 Cb -0.19 -0.70 0.03 0.00 0.35 0.00 0.00 41.96 41.45 3daq s TYR 135 CO 0.39 -0.38 -0.10 1.21 -1.34 0.00 0.00 175.55 175.32 3daq s ASN 136 N 2.07 4.09 -0.42 4.32 2.47 -0.35 -1.94 114.94 125.19 3daq s ASN 136 Ca 0.03 -0.93 0.04 0.00 0.42 0.00 0.00 52.86 52.43 3daq s ASN 136 Cb -0.14 -1.60 0.18 0.00 -1.45 0.00 0.00 41.25 38.23 3daq s ASN 136 CO -0.06 -0.11 0.38 0.55 -3.72 0.00 0.00 177.10 174.13 3daq n VAL 137 N 4.61 -1.12 0.10 -5.21 3.14 -1.26 -0.60 118.33 117.99 3daq n VAL 137 Ca -0.17 -3.31 0.18 0.00 -2.96 0.00 0.00 64.34 58.08 3daq n VAL 137 Cb 0.47 -1.51 0.74 0.00 -1.06 0.00 0.00 33.84 32.48 3daq n VAL 137 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3daq h PRO 138 N 5.49 0.00 0.00 1.45 0.11 -1.81 -0.86 132.00 136.38 3daq h PRO 138 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3daq h PRO 138 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3daq h PRO 138 CO 0.35 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.01 3daq n SER 139 N -4.07 0.67 -0.00 -2.05 3.41 -1.26 -0.45 113.62 109.87 3daq n SER 139 Ca 0.06 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 3daq n SER 139 Cb 0.48 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3daq n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3daq n ARG 140 N -2.27 1.04 -0.00 4.33 1.74 -0.40 -4.78 116.66 116.32 3daq n ARG 140 Ca 0.01 -0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3daq n ARG 140 Cb 0.18 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3daq n ARG 140 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3daq n THR 141 N -1.65 0.00 -2.86 0.55 -2.24 -0.77 -4.86 114.28 102.45 3daq n THR 141 Ca -0.01 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3daq n THR 141 Cb 0.18 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3daq n THR 141 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3daq n ASN 142 N -1.43 -3.61 -4.03 3.42 5.15 0.41 -4.48 115.26 110.70 3daq n ASN 142 Ca -0.00 -0.04 -0.11 0.00 -0.60 0.00 0.00 54.58 53.82 3daq n ASN 142 Cb 0.10 -3.04 -0.08 0.00 -0.53 0.00 0.00 39.78 36.24 3daq n ASN 142 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3daq s MET 143 N -5.47 1.41 0.15 1.20 0.23 -1.26 -5.07 119.30 110.49 3daq s MET 143 Ca 0.18 -1.49 0.01 0.00 -1.03 0.00 0.00 55.69 53.36 3daq s MET 143 Cb -0.09 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 3daq s MET 143 CO 0.22 -0.53 0.01 -0.08 -2.03 0.00 0.00 175.02 172.61 3daq s THR 144 N -4.01 0.50 -0.47 3.16 -1.32 -1.26 -3.83 115.64 108.41 3daq s THR 144 Ca 0.31 -1.95 -0.15 0.00 -1.21 0.00 0.00 61.69 58.70 3daq s THR 144 Cb 0.03 -2.04 0.08 0.00 -1.51 0.00 0.00 72.50 69.06 3daq s THR 144 CO 0.12 -0.53 0.38 -0.63 -2.21 0.00 0.00 174.62 171.76 3daq s ILE 145 N -3.78 5.09 0.63 5.08 1.01 -1.26 -4.97 121.20 123.00 3daq s ILE 145 Ca 0.22 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 3daq s ILE 145 Cb 0.07 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3daq s ILE 145 CO 0.02 -0.59 1.24 -1.61 0.00 0.00 0.00 174.94 174.00 3daq s GLU 146 N 1.61 2.75 0.30 2.79 0.41 -1.26 -4.68 118.70 120.62 3daq s GLU 146 Ca 0.04 1.90 0.06 0.00 -0.41 0.00 0.00 54.97 56.55 3daq s GLU 146 Cb -0.24 -1.89 0.74 0.00 -1.78 0.00 0.00 34.13 30.95 3daq s GLU 146 CO 0.06 -1.40 1.76 -1.35 -0.49 0.00 0.00 175.26 173.84 3daq h PRO 147 N 0.65 0.69 -0.29 0.39 0.11 -1.93 0.74 132.00 132.37 3daq h PRO 147 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3daq h PRO 147 Cb 1.31 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3daq h PRO 147 CO 0.54 0.46 0.01 0.93 -0.21 0.00 0.00 178.00 179.72 3daq h GLU 148 N 0.71 0.43 -0.25 1.05 3.07 -1.91 -1.34 114.58 116.35 3daq h GLU 148 Ca 0.58 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 59.18 3daq h GLU 148 Cb 0.93 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3daq h GLU 148 CO -0.40 0.46 -0.55 1.15 -1.40 0.00 0.00 179.01 178.26 3daq h THR 149 N 0.42 1.29 -0.71 1.13 2.02 -1.26 -2.12 112.91 113.68 3daq h THR 149 Ca 0.10 -1.75 0.07 0.00 0.77 0.00 0.00 66.41 65.60 3daq h THR 149 Cb 0.27 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 3daq h THR 149 CO 0.01 0.56 0.39 0.58 0.37 0.00 0.00 175.52 177.43 3daq h VAL 150 N 0.57 0.94 -0.01 3.16 2.07 -0.78 -0.54 116.25 121.66 3daq h VAL 150 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3daq h VAL 150 Cb 1.17 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3daq h VAL 150 CO 0.12 0.13 -0.07 -0.08 0.02 0.00 0.00 177.57 177.69 3daq h GLU 151 N 0.70 -0.11 -0.35 1.57 4.81 -1.07 0.17 114.58 120.30 3daq h GLU 151 Ca 0.33 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 3daq h GLU 151 Cb 0.24 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3daq h GLU 151 CO -0.21 -0.07 0.11 0.82 -0.73 0.00 0.00 179.01 178.93 3daq h ILE 152 N -0.12 0.89 -0.17 2.32 2.04 -1.00 -2.64 117.51 118.82 3daq h ILE 152 Ca 0.03 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3daq h ILE 152 Cb 0.15 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3daq h ILE 152 CO -0.07 0.05 -0.36 -0.07 0.00 0.00 0.00 178.15 177.70 3daq h LEU 153 N 0.26 0.37 -2.47 1.44 3.38 -0.77 -2.67 115.31 114.85 3daq h LEU 153 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3daq h LEU 153 Cb 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3daq h LEU 153 CO -0.17 0.71 -0.02 0.77 0.09 0.00 0.00 178.44 179.82 3daq h SER 154 N 0.31 0.00 1.26 -0.43 4.64 -0.30 -1.27 113.55 117.76 3daq h SER 154 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3daq h SER 154 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3daq h SER 154 CO 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3daq n GLN 155 N -3.22 0.19 -2.20 4.77 6.02 -1.00 -4.77 117.38 117.17 3daq n GLN 155 Ca -0.02 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 3daq n GLN 155 Cb 0.14 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 3daq n GLN 155 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3daq s HIS 156 N -3.10 3.25 0.60 1.08 2.46 -0.48 -4.91 115.29 114.19 3daq s HIS 156 Ca 0.11 1.08 0.31 0.00 0.47 0.00 0.00 55.06 57.02 3daq s HIS 156 Cb 0.13 -3.64 1.83 0.00 -0.13 0.00 0.00 32.58 30.77 3daq s HIS 156 CO 0.55 -2.14 2.23 -1.00 -2.47 0.00 0.00 174.74 171.90 3daq h PRO 157 N 6.17 0.00 -0.01 2.88 0.13 -1.88 -2.31 132.00 136.98 3daq h PRO 157 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3daq h PRO 157 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3daq h PRO 157 CO 0.82 0.00 -0.44 0.66 -0.23 0.00 0.00 178.00 178.81 3daq n TYR 158 N -3.77 0.00 -3.45 1.56 4.02 -1.26 -4.86 117.16 109.39 3daq n TYR 158 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 3daq n TYR 158 Cb 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.36 3daq n TYR 158 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3daq s ILE 159 N -2.28 5.24 0.00 -0.72 1.01 -0.87 0.33 121.20 123.90 3daq s ILE 159 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3daq s ILE 159 Cb 0.16 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3daq s ILE 159 CO 0.52 -0.22 0.21 1.33 0.00 0.00 0.00 174.94 176.78 3daq n VAL 160 N 5.19 0.00 -3.67 2.92 0.24 -0.46 -4.61 118.33 117.93 3daq n VAL 160 Ca -0.11 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 3daq n VAL 160 Cb 0.48 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.04 3daq n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3daq s ALA 161 N -0.25 -1.55 -0.06 2.33 0.00 -1.18 -1.54 121.76 119.52 3daq s ALA 161 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3daq s ALA 161 Cb 0.00 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3daq s ALA 161 CO 0.00 -0.92 -0.03 -1.17 0.00 0.00 0.00 175.76 173.63 3daq s LEU 162 N -2.81 1.09 -0.46 0.00 2.96 -0.04 -0.62 118.68 118.79 3daq s LEU 162 Ca 0.08 -0.13 -0.24 0.00 -0.22 0.00 0.00 54.13 53.63 3daq s LEU 162 Cb -0.03 -0.47 0.03 0.00 0.50 0.00 0.00 46.19 46.22 3daq s LEU 162 CO -0.01 -0.10 0.85 -0.75 -1.32 0.00 0.00 176.35 175.02 3daq s LYS 163 N 1.29 3.46 -0.46 1.98 2.20 0.16 -0.99 119.74 127.38 3daq s LYS 163 Ca -0.05 0.00 -0.10 0.00 -0.36 0.00 0.00 55.97 55.46 3daq s LYS 163 Cb -0.14 -3.94 0.11 0.00 -1.51 0.00 0.00 37.83 32.35 3daq s LYS 163 CO -0.02 -1.18 0.33 0.34 -0.36 0.00 0.00 175.35 174.47 3daq s ASP 164 N 2.22 5.73 -0.31 1.43 2.15 0.86 -1.21 116.67 127.54 3daq s ASP 164 Ca 0.33 -1.78 0.10 0.00 0.43 0.00 0.00 52.55 51.63 3daq s ASP 164 Cb -0.11 -2.02 0.64 0.00 -0.30 0.00 0.00 42.92 41.12 3daq s ASP 164 CO 0.24 -0.66 1.68 0.00 -0.17 0.00 0.00 175.17 176.26 3daq n ALA 165 N 4.94 4.43 0.20 3.66 0.00 0.23 -0.95 120.51 133.02 3daq n ALA 165 Ca -0.09 -2.65 0.05 0.00 0.00 0.00 0.00 53.44 50.76 3daq n ALA 165 Cb 0.41 -1.06 0.39 0.00 0.00 0.00 0.00 19.45 19.19 3daq n ALA 165 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3daq h THR 166 N 1.80 0.96 -5.06 0.00 1.35 -1.91 -3.42 112.91 106.62 3daq h THR 166 Ca 0.28 -1.35 -0.36 0.00 -0.55 0.00 0.00 66.41 64.43 3daq h THR 166 Cb 2.11 1.79 -0.05 0.00 -1.73 0.00 0.00 68.15 70.28 3daq h THR 166 CO 0.63 0.34 -0.53 -3.20 -0.25 0.00 0.00 175.52 172.52 3daq n ASN 167 N -3.70 -4.13 -3.98 5.36 5.15 -1.26 -4.95 115.26 107.74 3daq n ASN 167 Ca -0.01 -0.29 -0.31 0.00 -0.60 0.00 0.00 54.58 53.37 3daq n ASN 167 Cb 0.45 -3.41 -0.15 0.00 -0.53 0.00 0.00 39.78 36.13 3daq n ASN 167 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3daq s ASP 168 N -2.62 4.23 0.23 1.20 -1.08 -1.26 -5.00 116.67 112.37 3daq s ASP 168 Ca 0.33 -1.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.14 3daq s ASP 168 Cb -0.17 -1.36 0.64 0.00 -1.46 0.00 0.00 42.92 40.57 3daq s ASP 168 CO 0.40 -0.26 1.66 -0.26 0.52 0.00 0.00 175.17 177.23 3daq h PHE 169 N 7.84 0.00 -0.24 -5.34 -1.00 -1.99 -1.75 116.94 114.46 3daq h PHE 169 Ca -0.15 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.56 3daq h PHE 169 Cb 1.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 3daq h PHE 169 CO 0.53 0.00 -0.11 1.49 -1.61 0.00 0.00 178.31 178.61 3daq h GLU 170 N 0.00 0.49 -0.51 1.51 4.57 -1.99 -2.19 114.58 116.47 3daq h GLU 170 Ca 0.00 -0.21 0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3daq h GLU 170 Cb 0.78 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 3daq h GLU 170 CO 0.00 0.76 0.23 -0.92 -1.18 0.00 0.00 179.01 177.89 3daq h TYR 171 N 0.22 0.41 -0.49 0.92 5.03 -1.92 -0.70 116.97 120.43 3daq h TYR 171 Ca 0.05 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.44 3daq h TYR 171 Cb 0.60 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.72 3daq h TYR 171 CO 0.06 0.18 0.22 1.25 -1.32 0.00 0.00 178.16 178.55 3daq h LEU 172 N 0.44 0.29 -0.68 2.82 5.85 -1.28 0.05 115.31 122.81 3daq h LEU 172 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3daq h LEU 172 Cb 0.19 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3daq h LEU 172 CO -0.19 0.20 0.40 -0.08 -0.34 0.00 0.00 178.44 178.43 3daq h GLU 173 N 0.43 0.93 -0.43 1.25 4.57 -0.76 0.00 114.58 120.58 3daq h GLU 173 Ca 0.23 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3daq h GLU 173 Cb 0.18 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3daq h GLU 173 CO -0.19 0.68 -0.11 0.93 -1.18 0.00 0.00 179.01 179.14 3daq h GLU 174 N 0.93 0.78 -0.19 1.92 5.08 -0.57 -2.47 114.58 120.06 3daq h GLU 174 Ca 0.24 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3daq h GLU 174 Cb -0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3daq h GLU 174 CO -0.04 0.85 -0.22 0.28 -1.00 0.00 0.00 179.01 178.88 3daq h VAL 175 N 0.70 1.34 -0.93 3.13 2.07 -0.71 -3.22 116.25 118.62 3daq h VAL 175 Ca 0.12 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.35 3daq h VAL 175 Cb 0.58 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 3daq h VAL 175 CO 0.04 0.42 0.60 0.11 0.02 0.00 0.00 177.57 178.76 3daq h LYS 176 N 0.14 0.86 0.00 1.57 1.57 -0.87 -1.12 116.57 118.72 3daq h LYS 176 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3daq h LYS 176 Cb 0.77 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3daq h LYS 176 CO 0.05 0.57 0.00 0.87 -0.57 0.00 0.00 179.45 180.37 3daq h LYS 177 N 0.89 0.00 -0.00 3.15 6.56 -1.45 -3.19 116.57 122.52 3daq h LYS 177 Ca 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 3daq h LYS 177 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3daq h LYS 177 CO -0.21 0.00 -0.40 0.54 -2.06 0.00 0.00 179.45 177.32 3daq n ARG 178 N -3.04 2.90 -4.43 3.15 1.74 -0.45 -5.02 116.66 111.50 3daq n ARG 178 Ca -0.01 -0.25 -0.21 0.00 -0.77 0.00 0.00 57.85 56.61 3daq n ARG 178 Cb 0.19 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 3daq n ARG 178 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3daq s ILE 179 N -1.81 1.81 -0.39 0.55 -5.25 -1.01 -4.74 121.20 110.37 3daq s ILE 179 Ca 0.06 -2.18 -0.13 0.00 -0.99 0.00 0.00 60.65 57.41 3daq s ILE 179 Cb 0.08 -2.37 0.02 0.00 2.95 0.00 0.00 42.46 43.14 3daq s ILE 179 CO 0.38 -0.36 0.25 -0.62 -1.79 0.00 0.00 174.94 172.80 3daq s ASP 180 N -3.44 5.94 0.51 4.36 -1.08 -1.26 -4.88 116.67 116.82 3daq s ASP 180 Ca 0.28 -0.90 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 3daq s ASP 180 Cb 0.02 -2.10 1.36 0.00 -1.46 0.00 0.00 42.92 40.74 3daq s ASP 180 CO 0.12 -0.41 1.96 0.00 0.52 0.00 0.00 175.17 177.36 3daq h THR 181 N 5.73 0.70 -0.04 1.71 1.03 -1.91 0.24 112.91 120.37 3daq h THR 181 Ca -0.27 -0.02 -0.07 0.00 -0.01 0.00 0.00 66.41 66.04 3daq h THR 181 Cb 1.12 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 3daq h THR 181 CO 0.70 0.01 -0.29 0.78 -0.01 0.00 0.00 175.52 176.71 3daq h ASN 182 N 0.07 0.07 -0.00 0.00 2.35 -2.01 -3.30 115.58 112.76 3daq h ASN 182 Ca 0.31 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3daq h ASN 182 Cb 1.15 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3daq h ASN 182 CO -0.03 0.36 -0.13 -1.54 -1.65 0.00 0.00 177.43 174.45 3daq n SER 183 N -4.17 0.24 -3.74 5.81 3.41 -0.60 -4.25 113.62 110.31 3daq n SER 183 Ca -0.02 -0.62 -0.27 0.00 -0.26 0.00 0.00 58.87 57.70 3daq n SER 183 Cb 0.35 0.91 -0.17 0.00 -0.26 0.00 0.00 64.21 65.04 3daq n SER 183 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3daq s PHE 184 N -1.18 1.00 0.17 7.33 5.36 -0.03 -4.79 117.98 125.84 3daq s PHE 184 Ca 0.01 -0.79 -0.19 0.00 -0.96 0.00 0.00 56.93 55.00 3daq s PHE 184 Cb 0.02 -1.01 -0.08 0.00 -0.34 0.00 0.00 43.02 41.62 3daq s PHE 184 CO 0.11 -0.58 0.66 0.00 -1.46 0.00 0.00 175.22 173.95 3daq s ALA 185 N 1.87 3.49 -0.24 11.12 0.00 -0.59 -4.25 121.76 133.16 3daq s ALA 185 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 3daq s ALA 185 Cb -0.17 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3daq s ALA 185 CO -0.08 0.37 -0.04 -0.51 0.00 0.00 0.00 175.76 175.50 3daq s LEU 186 N -1.74 3.06 -0.13 0.00 1.43 -1.26 -0.87 118.68 119.18 3daq s LEU 186 Ca 0.38 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3daq s LEU 186 Cb -0.17 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3daq s LEU 186 CO 0.21 -0.08 -0.13 -0.31 0.23 0.00 0.00 176.35 176.27 3daq s TYR 187 N 1.42 2.81 0.43 0.29 1.51 -0.16 -0.15 117.35 123.50 3daq s TYR 187 Ca 0.03 -0.61 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 3daq s TYR 187 Cb -0.15 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.78 3daq s TYR 187 CO -0.04 -0.19 1.31 0.45 -1.11 0.00 0.00 175.55 175.98 3daq s SER 188 N 0.30 6.11 -0.20 2.29 0.15 -0.18 -0.09 113.70 122.09 3daq s SER 188 Ca -0.10 2.67 0.16 0.00 0.70 0.00 0.00 55.95 59.38 3daq s SER 188 Cb -0.16 -2.64 0.56 0.00 -1.71 0.00 0.00 66.02 62.07 3daq s SER 188 CO 0.05 -0.99 1.46 0.61 1.20 0.00 0.00 173.24 175.58 3daq n GLY 189 N 0.64 4.02 2.64 9.45 0.00 -0.12 -0.85 105.19 120.97 3daq n GLY 189 Ca 0.05 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 3daq n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3daq s ASN 190 N -1.87 3.05 0.42 1.61 3.04 -1.26 -4.72 114.94 115.20 3daq s ASN 190 Ca 0.44 -0.99 0.19 0.00 0.04 0.00 0.00 52.86 52.54 3daq s ASN 190 Cb 0.36 -0.45 1.13 0.00 -1.54 0.00 0.00 41.25 40.74 3daq s ASN 190 CO 0.09 -0.37 1.81 0.44 -3.04 0.00 0.00 177.10 176.03 3daq h ASP 191 N 8.32 0.39 0.24 -4.21 3.32 -1.90 -2.12 116.42 120.46 3daq h ASP 191 Ca -0.16 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3daq h ASP 191 Cb 1.09 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3daq h ASP 191 CO 0.37 0.12 -0.07 0.44 -1.72 0.00 0.00 179.24 178.37 3daq h ASP 192 N 0.37 0.00 -0.50 6.45 3.32 -1.99 -3.20 116.42 120.87 3daq h ASP 192 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 3daq h ASP 192 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3daq h ASP 192 CO -0.22 0.07 0.00 -0.46 -1.72 0.00 0.00 179.24 176.91 3daq n ASN 193 N -3.66 3.34 0.06 6.45 0.23 -0.80 -4.68 115.26 116.21 3daq n ASN 193 Ca -0.02 -2.00 0.03 0.00 -0.53 0.00 0.00 54.58 52.06 3daq n ASN 193 Cb 0.18 -0.33 0.39 0.00 -2.08 0.00 0.00 39.78 37.94 3daq n ASN 193 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3daq h VAL 194 N 2.94 1.15 0.31 3.53 -1.51 -1.69 0.45 116.25 121.43 3daq h VAL 194 Ca 0.00 -0.56 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 3daq h VAL 194 Cb 0.84 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3daq h VAL 194 CO 0.00 0.19 -0.23 0.58 -1.23 0.00 0.00 177.57 176.88 3daq h VAL 195 N 0.37 0.52 -0.43 7.19 2.07 -1.88 0.44 116.25 124.53 3daq h VAL 195 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 3daq h VAL 195 Cb 0.22 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3daq h VAL 195 CO 0.00 0.00 -0.06 -0.08 0.02 0.00 0.00 177.57 177.45 3daq h GLU 196 N -0.54 0.74 -0.57 1.57 4.81 -1.82 -1.47 114.58 117.29 3daq h GLU 196 Ca -0.02 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3daq h GLU 196 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3daq h GLU 196 CO 0.00 0.79 0.20 -0.92 -0.73 0.00 0.00 179.01 178.35 3daq h TYR 197 N 0.68 0.90 -0.37 0.92 3.20 -0.54 0.95 116.97 122.70 3daq h TYR 197 Ca 0.13 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3daq h TYR 197 Cb 0.50 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3daq h TYR 197 CO 0.02 0.74 -0.29 1.88 -1.64 0.00 0.00 178.16 178.88 3daq h TYR 198 N 0.80 1.00 0.00 -3.82 0.05 -0.82 -1.23 116.97 112.96 3daq h TYR 198 Ca 0.19 -0.28 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 3daq h TYR 198 Cb 0.25 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 3daq h TYR 198 CO 0.01 1.07 -0.14 1.96 -1.05 0.00 0.00 178.16 180.01 3daq h GLN 199 N 0.65 0.00 -0.50 4.88 4.20 -0.93 -2.37 115.11 121.04 3daq h GLN 199 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3daq h GLN 199 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3daq h GLN 199 CO 0.08 0.14 0.00 0.54 -0.67 0.00 0.00 178.83 178.92 3daq n ARG 200 N -3.96 2.23 -0.18 1.46 5.12 0.30 -4.92 116.66 116.72 3daq n ARG 200 Ca -0.02 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.17 3daq n ARG 200 Cb 0.23 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 3daq n ARG 200 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3daq n GLY 201 N 1.16 0.89 3.82 -0.13 0.00 -0.89 -5.04 105.19 105.00 3daq n GLY 201 Ca 0.16 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3daq n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3daq s GLY 202 N -2.16 1.67 0.00 -0.02 0.00 -0.49 -4.90 107.32 101.42 3daq s GLY 202 Ca 0.00 0.08 0.24 0.00 0.00 0.00 0.00 44.72 45.04 3daq s GLY 202 CO 0.00 0.39 1.27 -1.06 0.00 0.00 0.00 173.10 173.70 3daq n GLN 203 N -3.10 1.10 -0.16 2.90 3.00 0.78 -4.71 117.38 117.20 3daq n GLN 203 Ca 0.07 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 3daq n GLN 203 Cb 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.29 3daq n GLN 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3daq n GLY 204 N 1.39 0.02 3.35 1.08 0.00 -1.24 -0.58 105.19 109.21 3daq n GLY 204 Ca 0.11 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 3daq n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daq s VAL 205 N -3.93 0.02 -0.35 1.61 0.11 -0.20 -1.01 120.40 116.65 3daq s VAL 205 Ca 0.00 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 3daq s VAL 205 Cb 0.00 -0.73 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3daq s VAL 205 CO 0.00 -0.11 0.13 -0.63 -3.33 0.00 0.00 175.10 171.16 3daq s ILE 206 N -0.77 3.83 -0.05 7.04 1.01 -0.03 -0.40 121.20 131.83 3daq s ILE 206 Ca -0.08 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.38 3daq s ILE 206 Cb -0.03 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3daq s ILE 206 CO 0.04 -0.26 -0.15 -0.55 0.00 0.00 0.00 174.94 174.03 3daq s SER 207 N 1.54 3.98 -0.13 3.58 0.15 0.45 -4.58 113.70 118.69 3daq s SER 207 Ca -0.00 -0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 3daq s SER 207 Cb -0.20 -0.82 -0.26 0.00 -1.71 0.00 0.00 66.02 63.02 3daq s SER 207 CO 0.02 0.34 0.79 0.58 1.20 0.00 0.00 173.24 176.17 3daq h VAL 208 N 4.34 1.77 0.00 4.45 2.07 -1.87 0.36 116.25 127.37 3daq h VAL 208 Ca -0.46 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 64.66 3daq h VAL 208 Cb 1.15 3.37 -0.00 0.00 -1.52 0.00 0.00 31.29 34.29 3daq h VAL 208 CO 0.50 0.62 -0.16 -0.29 0.02 0.00 0.00 177.57 178.26 3daq h ILE 209 N -0.93 0.63 0.00 4.57 6.09 -1.96 -1.47 117.51 124.44 3daq h ILE 209 Ca -0.01 -0.69 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 3daq h ILE 209 Cb 1.06 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3daq h ILE 209 CO 0.02 0.15 0.00 0.00 -3.07 0.00 0.00 178.15 175.25 3daq n ALA 210 N -2.29 1.38 0.26 0.18 0.00 -1.26 -1.17 120.51 117.62 3daq n ALA 210 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3daq n ALA 210 Cb 0.28 -1.10 0.72 0.00 0.00 0.00 0.00 19.45 19.35 3daq n ALA 210 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3daq h ASN 211 N 0.00 0.00 0.00 0.00 4.21 -1.47 -3.16 115.58 115.15 3daq h ASN 211 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3daq h ASN 211 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 3daq h ASN 211 CO 0.00 0.07 -0.87 1.33 -1.29 0.00 0.00 177.43 176.67 3daq n VAL 212 N -4.04 0.00 -2.83 2.81 0.24 -0.31 -4.85 118.33 109.35 3daq n VAL 212 Ca -0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 3daq n VAL 212 Cb 0.16 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.23 3daq n VAL 212 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3daq n ILE 213 N -1.58 1.69 -0.20 1.34 -5.35 -0.59 -4.93 119.36 109.74 3daq n ILE 213 Ca 0.00 -4.68 -0.02 0.00 -0.27 0.00 0.00 62.75 57.79 3daq n ILE 213 Cb 0.24 -0.67 0.20 0.00 -1.74 0.00 0.00 39.64 37.67 3daq n ILE 213 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3daq h PRO 214 N 2.89 0.96 -0.25 6.28 0.13 -1.77 -1.91 132.00 138.34 3daq h PRO 214 Ca 0.12 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 3daq h PRO 214 Cb 0.86 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 3daq h PRO 214 CO 0.68 0.73 -0.02 -0.22 -0.23 0.00 0.00 178.00 178.95 3daq h LYS 215 N 0.96 0.45 -0.38 0.86 3.64 -1.73 -0.04 116.57 120.33 3daq h LYS 215 Ca 0.24 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3daq h LYS 215 Cb 0.08 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3daq h LYS 215 CO -0.03 0.64 -0.24 0.93 -2.27 0.00 0.00 179.45 178.48 3daq h GLU 216 N 0.21 0.76 -0.31 1.90 3.07 -1.85 -1.41 114.58 116.96 3daq h GLU 216 Ca 0.07 -0.31 -0.17 0.00 -0.50 0.00 0.00 59.36 58.45 3daq h GLU 216 Cb 0.45 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3daq h GLU 216 CO 0.02 0.92 -0.46 0.35 -1.40 0.00 0.00 179.01 178.44 3daq h PHE 217 N 0.66 1.05 -0.50 4.33 3.57 -1.21 -3.01 116.94 121.83 3daq h PHE 217 Ca 0.09 -0.36 -0.06 0.00 3.53 0.00 0.00 57.97 61.17 3daq h PHE 217 Cb 0.75 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 3daq h PHE 217 CO 0.04 1.17 0.07 0.37 -2.23 0.00 0.00 178.31 177.73 3daq h GLN 218 N 0.63 0.80 -0.36 1.11 5.75 -0.91 -2.62 115.11 119.51 3daq h GLN 218 Ca 0.03 -0.18 0.08 0.00 -0.15 0.00 0.00 58.65 58.43 3daq h GLN 218 Cb 1.06 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 3daq h GLN 218 CO 0.11 0.76 0.25 0.00 -2.65 0.00 0.00 178.83 177.30 3daq h ALA 219 N 1.32 2.19 -0.34 3.38 0.00 -1.13 -1.53 119.26 123.15 3daq h ALA 219 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3daq h ALA 219 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3daq h ALA 219 CO 0.01 -0.28 0.20 -0.07 0.00 0.00 0.00 179.25 179.11 3daq h LEU 220 N 0.11 0.41 -0.25 0.00 3.38 -1.39 -0.44 115.31 117.13 3daq h LEU 220 Ca 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3daq h LEU 220 Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3daq h LEU 220 CO -0.02 0.35 0.02 0.22 0.09 0.00 0.00 178.44 179.10 3daq h TYR 221 N 0.44 0.46 -0.79 1.13 5.03 -1.38 -1.35 116.97 120.51 3daq h TYR 221 Ca 0.12 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 3daq h TYR 221 Cb 0.01 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.13 3daq h TYR 221 CO -0.04 0.57 0.31 -0.44 -1.32 0.00 0.00 178.16 177.24 3daq h ASP 222 N 0.22 1.10 -0.06 -2.11 3.32 -1.36 -0.08 116.42 117.45 3daq h ASP 222 Ca 0.07 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3daq h ASP 222 Cb 0.37 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3daq h ASP 222 CO 0.01 0.98 0.03 0.00 -1.72 0.00 0.00 179.24 178.54 3daq h ALA 223 N 1.17 0.08 -0.55 3.45 0.00 -0.96 -2.12 119.26 120.32 3daq h ALA 223 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3daq h ALA 223 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3daq h ALA 223 CO -0.02 -0.37 0.23 0.37 0.00 0.00 0.00 179.25 179.46 3daq h GLN 224 N -0.00 0.82 0.00 0.00 -0.00 -0.96 -1.80 115.11 113.17 3daq h GLN 224 Ca 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 3daq h GLN 224 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.44 3daq h GLN 224 CO -0.00 0.71 -0.11 1.96 0.00 0.00 0.00 178.83 181.39 3daq h GLN 225 N 0.76 0.00 -0.00 1.69 1.08 -0.94 -0.22 115.11 117.47 3daq h GLN 225 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3daq h GLN 225 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3daq h GLN 225 CO -0.02 0.11 -0.03 -1.13 -0.95 0.00 0.00 178.83 176.81 3daq n SER 226 N -4.17 0.18 0.00 1.46 3.41 -0.81 -4.91 113.62 108.79 3daq n SER 226 Ca -0.03 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3daq n SER 226 Cb 0.19 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3daq n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3daq n GLY 227 N 1.22 0.75 3.79 5.00 0.00 -0.09 -5.08 105.19 110.78 3daq n GLY 227 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3daq n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3daq s LEU 228 N 0.00 4.39 0.13 0.99 1.43 -0.73 -5.00 118.68 119.90 3daq s LEU 228 Ca 0.00 1.72 -0.31 0.00 -1.03 0.00 0.00 54.13 54.51 3daq s LEU 228 Cb 0.00 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3daq s LEU 228 CO 0.00 0.01 1.34 -0.62 0.23 0.00 0.00 176.35 177.31 3daq s ASP 229 N -1.54 6.87 -0.03 2.29 -1.08 -1.26 -4.05 116.67 117.87 3daq s ASP 229 Ca 0.46 2.31 0.07 0.00 -0.52 0.00 0.00 52.55 54.88 3daq s ASP 229 Cb -0.19 -2.59 0.19 0.00 -1.46 0.00 0.00 42.92 38.87 3daq s ASP 229 CO 0.24 -0.60 1.15 2.30 0.52 0.00 0.00 175.17 178.78 3daq n ILE 230 N 3.57 1.23 0.05 4.11 -5.35 -1.26 -4.69 119.36 117.03 3daq n ILE 230 Ca 0.10 -1.24 -0.11 0.00 -0.27 0.00 0.00 62.75 61.23 3daq n ILE 230 Cb 0.43 0.34 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 3daq n ILE 230 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3daq h GLN 231 N 0.86 -0.20 -0.45 6.28 4.15 -1.99 0.99 115.11 124.75 3daq h GLN 231 Ca 0.00 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.30 3daq h GLN 231 Cb 0.73 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3daq h GLN 231 CO 0.02 -0.13 -0.26 -0.44 -1.93 0.00 0.00 178.83 176.09 3daq h ASP 232 N -0.21 1.00 -0.44 -0.69 3.32 -2.02 -2.77 116.42 114.62 3daq h ASP 232 Ca 0.05 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3daq h ASP 232 Cb 0.26 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3daq h ASP 232 CO -0.13 1.19 0.20 -0.61 -1.72 0.00 0.00 179.24 178.17 3daq h GLN 233 N 0.82 0.69 -0.03 3.56 4.15 -1.80 -2.53 115.11 119.98 3daq h GLN 233 Ca 0.10 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3daq h GLN 233 Cb 0.84 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3daq h GLN 233 CO 0.07 0.57 -0.46 0.35 -1.93 0.00 0.00 178.83 177.43 3daq h PHE 234 N 0.69 0.08 -0.65 3.99 3.57 -0.59 -3.38 116.94 120.64 3daq h PHE 234 Ca 0.17 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3daq h PHE 234 Cb 0.13 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 3daq h PHE 234 CO 0.01 0.51 -0.43 0.87 -2.23 0.00 0.00 178.31 177.04 3daq h LYS 235 N 0.05 -0.17 -0.21 1.11 1.57 -1.17 0.16 116.57 117.90 3daq h LYS 235 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3daq h LYS 235 Cb 0.84 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 3daq h LYS 235 CO 0.06 -0.12 -0.10 -1.00 -0.57 0.00 0.00 179.45 177.73 3daq h PRO 236 N -0.18 0.34 -0.38 3.15 0.13 -1.77 -1.58 132.00 131.71 3daq h PRO 236 Ca 0.20 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3daq h PRO 236 Cb 0.56 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3daq h PRO 236 CO -0.74 0.44 0.02 0.82 -0.23 0.00 0.00 178.00 178.32 3daq h ILE 237 N 0.32 1.25 -0.97 -3.56 2.04 -1.13 -2.47 117.51 113.00 3daq h ILE 237 Ca 0.07 -0.95 0.11 0.00 1.00 0.00 0.00 64.86 65.09 3daq h ILE 237 Cb 0.37 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3daq h ILE 237 CO 0.02 0.32 0.61 1.23 0.00 0.00 0.00 178.15 180.33 3daq h GLY 238 N 0.48 1.50 1.00 5.37 0.00 -0.28 0.73 103.07 111.86 3daq h GLY 238 Ca 0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3daq h GLY 238 CO 0.02 0.17 0.21 -0.84 0.00 0.00 0.00 176.54 176.10 3daq h THR 239 N 0.95 1.24 -0.70 4.70 2.02 -1.06 -0.36 112.91 119.70 3daq h THR 239 Ca 0.47 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 3daq h THR 239 Cb 0.48 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3daq h THR 239 CO -0.23 0.30 0.16 0.25 0.37 0.00 0.00 175.52 176.37 3daq h LEU 240 N 0.84 1.06 -1.06 2.58 5.85 -0.85 -2.31 115.31 121.43 3daq h LEU 240 Ca 0.20 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3daq h LEU 240 Cb 0.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3daq h LEU 240 CO -0.01 1.02 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.97 3daq h LEU 241 N 1.06 0.56 -0.63 2.25 3.38 -0.52 -0.82 115.31 120.60 3daq h LEU 241 Ca 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3daq h LEU 241 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3daq h LEU 241 CO 0.00 0.68 0.31 0.28 0.09 0.00 0.00 178.44 179.81 3daq h SER 242 N 0.55 0.81 -0.67 -0.43 0.02 -0.81 -1.99 113.55 111.03 3daq h SER 242 Ca 0.10 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3daq h SER 242 Cb 0.46 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3daq h SER 242 CO 0.02 0.71 0.39 0.00 -1.14 0.00 0.00 176.83 176.81 3daq h ALA 243 N 1.14 1.40 0.00 3.77 0.00 -0.83 -2.59 119.26 122.15 3daq h ALA 243 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3daq h ALA 243 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3daq h ALA 243 CO -0.03 0.50 0.00 1.25 0.00 0.00 0.00 179.25 180.97 3daq h LEU 244 N 0.94 0.00 -0.12 0.00 5.85 -0.47 -3.16 115.31 118.35 3daq h LEU 244 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3daq h LEU 244 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3daq h LEU 244 CO -0.04 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.52 3daq n SER 245 N -3.01 0.17 0.31 1.25 3.41 -0.84 -4.08 113.62 110.83 3daq n SER 245 Ca 0.01 -1.69 0.18 0.00 -0.26 0.00 0.00 58.87 57.11 3daq n SER 245 Cb 0.30 -0.02 1.01 0.00 -0.26 0.00 0.00 64.21 65.24 3daq n SER 245 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3daq h VAL 246 N 0.21 0.36 -3.49 -3.33 3.04 -1.72 -3.44 116.25 107.87 3daq h VAL 246 Ca 0.00 -0.03 -0.11 0.00 -1.01 0.00 0.00 66.70 65.55 3daq h VAL 246 Cb 0.05 1.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.30 3daq h VAL 246 CO 0.00 0.01 0.05 -0.62 -1.01 0.00 0.00 177.57 176.00 3daq s ASP 247 N -5.83 0.30 0.06 3.17 -1.08 -1.26 -5.09 116.67 106.94 3daq s ASP 247 Ca -0.05 -1.19 -0.31 0.00 -0.52 0.00 0.00 52.55 50.48 3daq s ASP 247 Cb 0.14 0.74 -0.07 0.00 -1.46 0.00 0.00 42.92 42.27 3daq s ASP 247 CO 0.51 -1.45 1.41 -0.51 0.52 0.00 0.00 175.17 175.64 3daq s ILE 248 N -2.95 3.50 0.37 4.11 1.10 -1.26 -4.64 121.20 121.43 3daq s ILE 248 Ca 0.21 1.00 -0.28 0.00 -0.51 0.00 0.00 60.65 61.07 3daq s ILE 248 Cb -0.03 -3.64 -0.11 0.00 0.15 0.00 0.00 42.46 38.83 3daq s ILE 248 CO 0.14 0.04 1.40 -3.20 -2.11 0.00 0.00 174.94 171.21 3daq n ASN 249 N 4.70 3.34 -1.61 4.50 2.85 -1.26 -0.62 115.26 127.16 3daq n ASN 249 Ca 0.12 1.21 -0.04 0.00 -0.11 0.00 0.00 54.58 55.77 3daq n ASN 249 Cb 0.43 -1.56 0.22 0.00 1.24 0.00 0.00 39.78 40.10 3daq n ASN 249 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3daq n PRO 250 N 0.44 2.95 0.00 1.20 -0.04 -1.26 -4.93 135.00 133.36 3daq n PRO 250 Ca 0.03 -2.12 -0.10 0.00 -0.04 0.00 0.00 63.50 61.28 3daq n PRO 250 Cb 0.38 -1.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 3daq n PRO 250 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3daq h ILE 251 N 1.91 0.67 -0.17 0.52 2.04 -1.18 -2.70 117.51 118.61 3daq h ILE 251 Ca 0.17 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.90 3daq h ILE 251 Cb 1.82 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3daq h ILE 251 CO 0.51 0.00 -0.43 -0.65 0.00 0.00 0.00 178.15 177.57 3daq h PRO 252 N -0.15 0.59 -0.21 2.37 0.11 -1.82 -3.31 132.00 129.58 3daq h PRO 252 Ca 0.08 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3daq h PRO 252 Cb 0.26 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3daq h PRO 252 CO -0.20 1.03 0.13 0.97 -0.21 0.00 0.00 178.00 179.72 3daq h ILE 253 N 0.24 1.06 0.00 4.15 6.09 -1.86 -0.59 117.51 126.61 3daq h ILE 253 Ca -0.01 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3daq h ILE 253 Cb 1.05 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3daq h ILE 253 CO 0.09 0.06 0.00 0.11 -3.07 0.00 0.00 178.15 175.34 3daq h LYS 254 N 0.29 0.00 -0.15 2.19 1.57 -1.57 0.10 116.57 119.00 3daq h LYS 254 Ca 0.08 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3daq h LYS 254 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3daq h LYS 254 CO -0.02 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.72 3daq h ALA 255 N 2.10 1.47 0.15 3.86 0.00 -1.21 -2.24 119.26 123.39 3daq h ALA 255 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 3daq h ALA 255 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3daq h ALA 255 CO 0.00 0.37 -1.85 -0.07 0.00 0.00 0.00 179.25 177.70 3daq h LEU 256 N 0.23 0.49 -0.62 0.00 3.38 -1.06 -2.92 115.31 114.82 3daq h LEU 256 Ca 0.05 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 57.09 3daq h LEU 256 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3daq h LEU 256 CO 0.02 1.77 0.25 0.71 0.09 0.00 0.00 178.44 181.28 3daq h THR 257 N 0.09 1.23 -0.83 0.22 1.35 -1.22 -1.32 112.91 112.42 3daq h THR 257 Ca -0.37 -0.73 -0.03 0.00 -0.55 0.00 0.00 66.41 64.73 3daq h THR 257 Cb 2.06 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 69.00 3daq h THR 257 CO 0.13 0.28 0.38 0.77 -0.25 0.00 0.00 175.52 176.84 3daq h SER 258 N 0.86 1.10 -0.67 5.36 4.64 -1.43 -1.34 113.55 122.07 3daq h SER 258 Ca 0.21 -0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3daq h SER 258 Cb 0.21 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 3daq h SER 258 CO -0.02 0.94 0.44 0.22 -0.87 0.00 0.00 176.83 177.55 3daq h TYR 259 N 1.19 0.72 -0.00 4.77 3.20 -1.22 0.09 116.97 125.72 3daq h TYR 259 Ca 0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3daq h TYR 259 Cb 0.14 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3daq h TYR 259 CO 0.02 0.39 0.00 1.28 -1.64 0.00 0.00 178.16 178.21 3daq n LEU 260 N -4.47 0.15 0.00 2.82 4.32 -0.55 -4.90 117.00 114.38 3daq n LEU 260 Ca 0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3daq n LEU 260 Cb 0.20 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 3daq n LEU 260 CO 0.34 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 3daq n GLY 261 N 0.98 0.90 3.30 -0.72 0.00 0.02 -5.05 105.19 104.62 3daq n GLY 261 Ca 0.22 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 3daq n GLY 261 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3daq s PHE 262 N -2.00 3.49 0.17 1.61 0.08 -0.55 -4.95 117.98 115.84 3daq s PHE 262 Ca 0.00 -1.71 0.00 0.00 0.12 0.00 0.00 56.93 55.34 3daq s PHE 262 Cb 0.00 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 3daq s PHE 262 CO 0.00 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 3daq n GLY 263 N 4.60 -1.63 3.94 4.36 0.00 -1.26 -3.48 105.19 111.73 3daq n GLY 263 Ca -0.01 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 3daq n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3daq s ASN 264 N -4.71 5.49 -1.21 1.61 0.01 -0.23 -4.48 114.94 111.42 3daq s ASN 264 Ca 0.00 0.36 -0.19 0.00 -0.71 0.00 0.00 52.86 52.33 3daq s ASN 264 Cb 0.00 -1.36 0.08 0.00 0.41 0.00 0.00 41.25 40.38 3daq s ASN 264 CO 0.00 -1.04 1.60 -0.47 -1.51 0.00 0.00 177.10 175.68 3daq s TYR 265 N -2.83 2.85 -0.03 2.20 5.04 -1.26 -4.58 117.35 118.74 3daq s TYR 265 Ca 0.54 -1.52 0.01 0.00 -2.44 0.00 0.00 57.07 53.66 3daq s TYR 265 Cb -0.10 -4.66 0.02 0.00 0.35 0.00 0.00 41.96 37.57 3daq s TYR 265 CO 0.41 -1.76 -0.03 -2.00 -1.34 0.00 0.00 175.55 170.83 3daq s GLU 266 N 3.92 0.62 0.06 4.97 2.12 -1.26 -4.89 118.70 124.24 3daq s GLU 266 Ca 0.49 -0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.82 3daq s GLU 266 Cb 0.02 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 3daq s GLU 266 CO 0.02 -0.07 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.05 3daq s LEU 267 N 0.80 2.98 -0.02 2.70 2.01 -1.26 -4.75 118.68 121.14 3daq s LEU 267 Ca -0.10 -0.32 -0.20 0.00 0.01 0.00 0.00 54.13 53.53 3daq s LEU 267 Cb -0.13 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.27 3daq s LEU 267 CO -0.00 0.23 0.58 -0.60 1.01 0.00 0.00 176.35 177.56 3daq s ARG 268 N -1.76 4.30 0.36 1.70 3.52 -1.26 -4.73 118.95 121.08 3daq s ARG 268 Ca 0.18 0.69 -0.27 0.00 -0.13 0.00 0.00 55.73 56.21 3daq s ARG 268 Cb -0.11 -3.35 -0.12 0.00 -1.56 0.00 0.00 34.95 29.81 3daq s ARG 268 CO 0.10 0.34 1.18 1.28 -0.81 0.00 0.00 175.30 177.39 3daq n LEU 269 N 2.85 3.09 -0.02 -0.88 4.77 -1.26 -1.64 117.00 123.91 3daq n LEU 269 Ca -0.07 1.15 0.15 0.00 -0.03 0.00 0.00 56.01 57.21 3daq n LEU 269 Cb 0.51 -1.42 0.76 0.00 -2.33 0.00 0.00 43.42 40.94 3daq n LEU 269 CO 0.43 -0.89 1.01 -0.81 -1.33 0.00 0.00 177.39 175.80 3daq n PRO 270 N 0.43 0.52 -1.73 3.23 -0.04 -1.26 -4.92 135.00 131.23 3daq n PRO 270 Ca 0.07 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 3daq n PRO 270 Cb 0.36 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 3daq n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3daq s LEU 271 N -2.50 3.30 0.05 1.53 1.43 -0.65 -5.07 118.68 116.77 3daq s LEU 271 Ca 0.31 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 3daq s LEU 271 Cb 0.20 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 3daq s LEU 271 CO 0.45 -1.47 -0.05 0.68 0.23 0.00 0.00 176.35 176.20 3daq s VAL 272 N -2.66 0.35 0.70 -1.59 -7.23 -1.26 -4.35 120.40 104.35 3daq s VAL 272 Ca 0.62 -1.46 -0.13 0.00 -1.81 0.00 0.00 61.98 59.20 3daq s VAL 272 Cb -0.17 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.75 3daq s VAL 272 CO 0.46 -0.73 1.10 -0.94 -0.31 0.00 0.00 175.10 174.68 3daq s SER 273 N -2.31 4.91 0.73 4.85 1.04 -1.26 -4.82 113.70 116.84 3daq s SER 273 Ca -0.01 1.94 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 3daq s SER 273 Cb -0.01 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.61 3daq s SER 273 CO -0.05 -1.77 1.25 -0.76 0.98 0.00 0.00 173.24 172.90 3daq s LEU 274 N -5.21 3.35 0.77 2.42 1.43 -1.26 -5.02 118.68 115.17 3daq s LEU 274 Ca 0.65 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 56.14 3daq s LEU 274 Cb -0.19 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.48 3daq s LEU 274 CO 0.46 -2.35 1.08 -1.61 0.23 0.00 0.00 176.35 174.16 3daq s GLU 275 N -3.76 2.27 0.23 1.70 2.02 -1.26 -4.73 118.70 115.16 3daq s GLU 275 Ca 0.78 0.92 -0.07 0.00 0.02 0.00 0.00 54.97 56.62 3daq s GLU 275 Cb -0.33 -1.92 0.32 0.00 0.10 0.00 0.00 34.13 32.30 3daq s GLU 275 CO 0.45 -1.56 1.80 -0.44 0.02 0.00 0.00 175.26 175.53 3daq h ASP 276 N -1.06 0.57 -0.81 -0.19 5.19 -1.99 -0.85 116.42 117.29 3daq h ASP 276 Ca -0.45 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 55.96 3daq h ASP 276 Cb 1.24 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 3daq h ASP 276 CO 0.55 0.34 0.34 0.71 -3.12 0.00 0.00 179.24 178.07 3daq h THR 277 N 0.70 1.26 -0.19 0.35 1.35 -2.00 -0.56 112.91 113.83 3daq h THR 277 Ca 0.35 -0.80 -0.19 0.00 -0.55 0.00 0.00 66.41 65.22 3daq h THR 277 Cb 0.29 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 3daq h THR 277 CO -0.23 0.33 -0.64 0.44 -0.25 0.00 0.00 175.52 175.17 3daq h ASP 278 N 1.18 0.78 -0.33 5.36 3.32 -1.74 -2.59 116.42 122.39 3daq h ASP 278 Ca 0.27 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.90 3daq h ASP 278 Cb 0.19 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3daq h ASP 278 CO -0.03 1.22 0.12 0.74 -1.72 0.00 0.00 179.24 179.58 3daq h THR 279 N 0.50 0.92 -0.58 0.35 2.02 -0.77 -1.69 112.91 113.66 3daq h THR 279 Ca -0.01 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3daq h THR 279 Cb 1.23 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3daq h THR 279 CO 0.13 0.05 0.16 0.07 0.37 0.00 0.00 175.52 176.30 3daq h LYS 280 N 0.27 0.91 -0.57 6.66 -0.00 -1.08 -1.32 116.57 121.45 3daq h LYS 280 Ca 0.15 -0.21 -0.01 0.00 -0.00 0.00 0.00 60.65 60.58 3daq h LYS 280 Cb 0.11 -0.13 -0.03 0.00 -0.00 0.00 0.00 32.23 32.19 3daq h LYS 280 CO -0.15 0.84 0.32 0.28 -0.00 0.00 0.00 179.45 180.74 3daq h VAL 281 N 0.82 1.18 -0.38 0.07 2.07 -1.29 -0.16 116.25 118.56 3daq h VAL 281 Ca 0.18 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3daq h VAL 281 Cb 0.32 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3daq h VAL 281 CO -0.00 0.19 0.01 0.25 0.02 0.00 0.00 177.57 178.03 3daq h LEU 282 N 0.77 0.66 -1.19 2.57 5.85 -1.05 -0.95 115.31 121.97 3daq h LEU 282 Ca 0.20 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3daq h LEU 282 Cb 0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3daq h LEU 282 CO -0.03 0.80 0.06 0.03 -0.34 0.00 0.00 178.44 178.96 3daq h ARG 283 N 0.50 0.62 -0.35 1.25 3.08 -1.05 -1.62 114.38 116.81 3daq h ARG 283 Ca 0.11 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3daq h ARG 283 Cb 0.46 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3daq h ARG 283 CO 0.02 0.60 -0.20 0.93 -1.07 0.00 0.00 179.97 180.25 3daq h GLU 284 N 0.60 0.66 -0.80 0.04 5.08 -0.83 -1.17 114.58 118.16 3daq h GLU 284 Ca 0.13 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3daq h GLU 284 Cb 0.29 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3daq h GLU 284 CO 0.00 0.82 0.41 0.00 -1.00 0.00 0.00 179.01 179.24 3daq h ALA 285 N 1.20 1.03 -0.32 3.43 0.00 -0.41 0.48 119.26 124.67 3daq h ALA 285 Ca 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3daq h ALA 285 Cb 0.66 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3daq h ALA 285 CO 0.05 0.57 0.07 -0.92 0.00 0.00 0.00 179.25 179.02 3daq h TYR 286 N 1.13 0.54 -0.90 0.00 5.03 -1.11 -1.32 116.97 120.33 3daq h TYR 286 Ca 0.28 -0.07 0.03 0.00 2.58 0.00 0.00 58.73 61.55 3daq h TYR 286 Cb 0.07 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.15 3daq h TYR 286 CO 0.01 0.57 0.58 -0.44 -1.32 0.00 0.00 178.16 177.56 3daq h ASP 287 N 0.35 0.98 -0.68 -2.11 3.32 -0.87 -1.47 116.42 115.93 3daq h ASP 287 Ca 0.10 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3daq h ASP 287 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3daq h ASP 287 CO 0.00 0.67 0.17 0.74 -1.72 0.00 0.00 179.24 179.11 3daq h THR 288 N 1.14 1.26 -0.17 0.35 2.02 -0.76 0.11 112.91 116.87 3daq h THR 288 Ca 0.36 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3daq h THR 288 Cb -0.01 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3daq h THR 288 CO -0.11 0.37 0.08 0.15 0.37 0.00 0.00 175.52 176.37 3daq h PHE 289 N 1.05 0.24 -0.66 3.16 3.57 -0.75 -2.27 116.94 121.28 3daq h PHE 289 Ca 0.22 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3daq h PHE 289 Cb 0.36 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3daq h PHE 289 CO 0.03 0.29 0.10 0.87 -2.23 0.00 0.00 178.31 177.36 3daq h LYS 290 N 0.13 1.11 -0.75 1.11 1.79 -1.04 -2.47 116.57 116.45 3daq h LYS 290 Ca 0.06 -0.30 0.07 0.00 -2.18 0.00 0.00 60.65 58.29 3daq h LYS 290 Cb 0.14 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 3daq h LYS 290 CO -0.01 1.02 0.49 0.00 -1.08 0.00 0.00 179.45 179.88 3daq h ALA 291 N 1.04 1.71 0.00 3.86 0.00 -0.71 -2.74 119.26 122.42 3daq h ALA 291 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3daq h ALA 291 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3daq h ALA 291 CO 0.02 0.17 0.00 0.78 0.00 0.00 0.00 179.25 180.21 3daq h GLY 292 N 0.76 0.00 1.00 0.00 0.00 -0.92 -3.51 103.07 100.40 3daq h GLY 292 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3daq h GLY 292 CO -0.11 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.61