#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 2.26 0.24 4.78 0.09 -1.26 -4.92 115.29 116.48 3daq s HIS 3 Ca 0.00 1.59 -0.06 0.00 -0.00 0.00 0.00 55.06 56.59 3daq s HIS 3 Cb 0.00 -3.33 0.27 0.00 -0.00 0.00 0.00 32.58 29.53 3daq s HIS 3 CO 0.00 -2.23 1.89 -0.07 -0.00 0.00 0.00 174.74 174.33 3daq h LEU 4 N -0.32 0.98 -7.55 0.89 3.38 -1.99 -3.45 115.31 107.24 3daq h LEU 4 Ca -0.47 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.60 3daq h LEU 4 Cb 1.27 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 3daq h LEU 4 CO 0.51 0.68 0.38 0.72 0.09 0.00 0.00 178.44 180.82 3daq s PHE 5 N -6.10 -0.24 0.08 1.13 -0.12 -1.26 -4.73 117.98 106.75 3daq s PHE 5 Ca -0.13 -0.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 3daq s PHE 5 Cb 0.18 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 43.16 3daq s PHE 5 CO 0.80 -0.89 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.76 3daq s GLU 6 N -3.48 0.81 1.76 1.99 2.02 -1.26 -4.92 118.70 115.61 3daq s GLU 6 Ca 0.09 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.05 3daq s GLU 6 Cb -0.02 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.57 3daq s GLU 6 CO -0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 3daq n GLY 7 N 0.94 0.61 3.52 -1.39 0.00 0.07 -4.85 105.19 104.09 3daq n GLY 7 Ca -0.19 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 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 4.96 0.13 1.61 1.01 -1.26 -1.30 120.40 125.56 3daq s VAL 8 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3daq s VAL 8 Cb 0.00 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 3daq s VAL 8 CO 0.00 -0.44 0.47 -0.83 0.00 0.00 0.00 175.10 174.30 3daq s GLY 9 N 1.88 2.36 -0.21 4.51 0.00 0.24 -0.52 107.32 115.57 3daq s GLY 9 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 3daq s GLY 9 CO 0.16 -0.09 0.07 0.14 0.00 0.00 0.00 173.10 173.38 3daq s VAL 10 N -1.52 4.66 -1.10 1.40 1.01 -0.29 -0.41 120.40 124.14 3daq s VAL 10 Ca 0.38 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 3daq s VAL 10 Cb -0.14 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.14 3daq s VAL 10 CO 0.20 0.40 1.65 0.00 0.00 0.00 0.00 175.10 177.35 3daq s ALA 11 N 0.90 2.67 0.15 5.51 0.00 -0.21 -0.41 121.76 130.37 3daq s ALA 11 Ca 0.04 -2.35 -0.31 0.00 0.00 0.00 0.00 51.96 49.34 3daq s ALA 11 Cb -0.14 -4.58 -0.09 0.00 0.00 0.00 0.00 23.12 18.31 3daq s ALA 11 CO 0.03 -3.83 1.44 -1.17 0.00 0.00 0.00 175.76 172.23 3daq s LEU 12 N 5.98 4.38 0.80 0.00 2.96 -0.45 -4.68 118.68 127.66 3daq s LEU 12 Ca 0.54 2.45 -0.11 0.00 -0.22 0.00 0.00 54.13 56.78 3daq s LEU 12 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 3daq s LEU 12 CO -0.01 -0.70 1.09 0.42 -1.32 0.00 0.00 176.35 175.83 3daq s THR 13 N 0.93 3.10 -0.22 3.68 -4.23 -1.26 -3.02 115.64 114.62 3daq s THR 13 Ca 0.65 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.48 3daq s THR 13 Cb -0.39 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 3daq s THR 13 CO 0.32 -0.47 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.02 3daq s THR 14 N -3.09 3.57 -0.06 3.99 2.01 -1.26 -4.87 115.64 115.93 3daq s THR 14 Ca 0.61 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.93 3daq s THR 14 Cb -0.15 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 3daq s THR 14 CO 0.55 0.42 0.78 -2.16 -0.69 0.00 0.00 174.62 173.51 3daq s PRO 15 N 1.38 4.45 -0.02 4.92 0.04 -1.26 -5.03 135.00 139.47 3daq s PRO 15 Ca 0.05 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.15 3daq s PRO 15 Cb -0.14 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3daq s PRO 15 CO -0.01 -0.01 -0.16 -0.06 0.04 0.00 0.00 177.00 176.80 3daq s PHE 16 N 1.02 2.65 -0.09 0.56 0.08 -1.26 -0.95 117.98 119.99 3daq s PHE 16 Ca 0.41 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 3daq s PHE 16 Cb -0.18 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3daq s PHE 16 CO 0.20 0.20 -0.05 0.99 -0.10 0.00 0.00 175.22 176.46 3daq s THR 17 N -0.79 0.72 -1.47 0.64 2.01 -0.14 -1.14 115.64 115.48 3daq s THR 17 Ca 0.13 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3daq s THR 17 Cb -0.11 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.65 3daq s THR 17 CO 0.02 0.31 0.53 0.59 -0.69 0.00 0.00 174.62 175.38 3daq n ASN 18 N 4.83 -1.14 -1.76 3.53 3.02 -1.26 -1.86 115.26 120.62 3daq n ASN 18 Ca -0.13 -0.99 -0.19 0.00 -0.03 0.00 0.00 54.58 53.24 3daq n ASN 18 Cb 0.50 -3.08 -0.05 0.00 -0.61 0.00 0.00 39.78 36.54 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 -2.92 -5.41 -4.19 6.41 4.05 -1.26 -4.97 115.26 106.97 3daq n ASN 19 Ca -0.22 0.29 -0.26 0.00 0.45 0.00 0.00 54.58 54.83 3daq n ASN 19 Cb 0.64 -4.55 -0.16 0.00 1.23 0.00 0.00 39.78 36.95 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 -4.15 1.65 0.12 1.20 2.20 -0.78 -5.09 119.74 114.90 3daq s LYS 20 Ca 0.00 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 3daq s LYS 20 Cb 0.00 -1.55 -0.09 0.00 -1.51 0.00 0.00 37.83 34.67 3daq s LYS 20 CO 0.00 0.38 1.68 0.08 -0.36 0.00 0.00 175.35 177.13 3daq s VAL 21 N -0.35 2.74 -0.61 4.02 1.01 -1.26 -0.97 120.40 124.98 3daq s VAL 21 Ca 0.05 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 3daq s VAL 21 Cb -0.08 -3.22 0.12 0.00 0.00 0.00 0.00 36.38 33.20 3daq s VAL 21 CO -0.00 0.01 0.66 0.21 0.00 0.00 0.00 175.10 175.98 3daq s ASN 22 N 2.07 6.25 0.38 3.32 3.84 -0.12 -4.87 114.94 125.80 3daq s ASN 22 Ca 0.75 -1.67 0.11 0.00 0.21 0.00 0.00 52.86 52.26 3daq s ASN 22 Cb -0.43 -2.27 0.75 0.00 -0.55 0.00 0.00 41.25 38.75 3daq s ASN 22 CO 0.33 -0.99 1.86 -0.07 -2.79 0.00 0.00 177.10 175.44 3daq h LEU 23 N 9.47 0.10 -0.32 3.21 3.38 -1.91 -0.62 115.31 128.61 3daq h LEU 23 Ca -0.25 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3daq h LEU 23 Cb 1.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3daq h LEU 23 CO 1.06 0.38 0.02 -0.33 0.09 0.00 0.00 178.44 179.66 3daq h GLU 24 N 0.09 0.55 -0.58 1.13 3.07 -1.98 -0.48 114.58 116.39 3daq h GLU 24 Ca 0.01 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.64 3daq h GLU 24 Cb 0.54 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 3daq h GLU 24 CO 0.04 0.67 0.07 0.00 -1.40 0.00 0.00 179.01 178.38 3daq h ALA 25 N 0.86 1.03 -0.20 3.43 0.00 -1.84 -1.16 119.26 121.39 3daq h ALA 25 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3daq h ALA 25 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3daq h ALA 25 CO 0.01 0.62 0.12 1.25 0.00 0.00 0.00 179.25 181.25 3daq h LEU 26 N 0.89 0.23 -0.64 0.00 5.85 -0.85 0.59 115.31 121.39 3daq h LEU 26 Ca 0.18 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 3daq h LEU 26 Cb 0.43 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3daq h LEU 26 CO 0.01 0.21 0.18 0.11 -0.34 0.00 0.00 178.44 178.61 3daq h LYS 27 N 0.24 1.01 -0.76 1.25 1.57 -0.94 -0.78 116.57 118.14 3daq h LYS 27 Ca 0.07 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3daq h LYS 27 Cb 0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3daq h LYS 27 CO -0.01 0.90 0.31 0.00 -0.57 0.00 0.00 179.45 180.08 3daq h ALA 28 N 1.06 0.99 -0.26 3.86 0.00 -0.95 -0.33 119.26 123.63 3daq h ALA 28 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3daq h ALA 28 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3daq h ALA 28 CO -0.00 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.07 3daq h HIS 29 N 1.10 0.54 -0.88 0.00 -0.00 -0.55 -1.16 115.15 114.20 3daq h HIS 29 Ca 0.26 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 3daq h HIS 29 Cb 0.20 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 3daq h HIS 29 CO 0.02 0.68 0.50 0.28 -0.00 0.00 0.00 177.93 179.41 3daq h VAL 30 N 0.24 1.25 -0.96 5.26 2.07 -0.96 -0.85 116.25 122.30 3daq h VAL 30 Ca 0.07 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3daq h VAL 30 Cb 0.49 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3daq h VAL 30 CO 0.02 0.27 0.61 0.78 0.02 0.00 0.00 177.57 179.28 3daq h ASN 31 N 1.22 1.12 -0.66 0.57 2.35 -0.84 0.24 115.58 119.59 3daq h ASN 31 Ca 0.31 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3daq h ASN 31 Cb -0.00 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 3daq h ASN 31 CO -0.05 0.83 0.35 0.15 -1.65 0.00 0.00 177.43 177.06 3daq h PHE 32 N 1.31 0.91 -0.36 1.19 3.57 -0.42 -0.02 116.94 123.12 3daq h PHE 32 Ca 0.35 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3daq h PHE 32 Cb -0.11 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 3daq h PHE 32 CO 0.00 0.66 0.02 -0.07 -2.23 0.00 0.00 178.31 176.69 3daq h LEU 33 N 0.90 0.61 -0.55 0.59 3.38 -0.52 -2.05 115.31 117.67 3daq h LEU 33 Ca 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3daq h LEU 33 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3daq h LEU 33 CO -0.04 0.75 0.27 -0.07 0.09 0.00 0.00 178.44 179.44 3daq h LEU 34 N 0.45 0.71 -1.95 1.67 3.38 -0.79 -1.56 115.31 117.23 3daq h LEU 34 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3daq h LEU 34 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3daq h LEU 34 CO 0.01 0.64 -0.10 -0.08 0.09 0.00 0.00 178.44 179.00 3daq h GLU 35 N 0.74 0.00 -0.46 1.13 4.57 -0.85 -3.07 114.58 116.64 3daq h GLU 35 Ca 0.19 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.12 3daq h GLU 35 Cb 0.11 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.55 3daq h GLU 35 CO -0.02 0.10 -0.00 0.09 -1.18 0.00 0.00 179.01 177.99 3daq n ASN 36 N -4.07 2.79 -0.36 1.04 4.13 -0.79 -4.96 115.26 113.05 3daq n ASN 36 Ca -0.02 -3.78 -0.04 0.00 1.68 0.00 0.00 54.58 52.42 3daq n ASN 36 Cb 0.18 -0.66 -0.01 0.00 -1.54 0.00 0.00 39.78 37.75 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 -1.11 -3.02 -4.71 6.41 5.15 -1.10 -2.46 115.26 114.42 3daq n ASN 37 Ca 0.38 0.07 -0.41 0.00 -0.60 0.00 0.00 54.58 54.01 3daq n ASN 37 Cb 1.10 -1.36 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 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 0.37 1.41 0.75 5.20 0.00 -0.62 -4.87 120.51 122.75 3daq n ALA 38 Ca -0.04 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.78 3daq n ALA 38 Cb 0.26 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.30 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 0.15 0.26 -3.56 0.00 1.13 0.32 -4.85 117.38 110.82 3daq n GLN 39 Ca 0.06 -0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 3daq n GLN 39 Cb 0.39 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 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 -3.09 -1.91 -0.20 -1.58 0.00 -1.24 -4.22 121.76 109.54 3daq s ALA 40 Ca 0.04 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.45 3daq s ALA 40 Cb 0.15 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3daq s ALA 40 CO 0.86 -0.42 -0.18 0.42 0.00 0.00 0.00 175.76 176.44 3daq s ILE 41 N -1.69 2.12 -0.30 0.00 -1.09 -0.59 -1.14 121.20 118.51 3daq s ILE 41 Ca 0.00 -1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 3daq s ILE 41 Cb -0.01 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 3daq s ILE 41 CO -0.01 0.43 0.26 -0.63 -1.23 0.00 0.00 174.94 173.76 3daq s ILE 42 N 1.26 5.26 -0.05 2.92 1.09 0.45 -0.79 121.20 131.33 3daq s ILE 42 Ca 0.02 0.17 0.01 0.00 -1.10 0.00 0.00 60.65 59.76 3daq s ILE 42 Cb -0.14 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 3daq s ILE 42 CO -0.11 0.14 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.12 3daq s VAL 43 N 1.86 3.82 -1.31 2.92 1.01 0.24 -1.35 120.40 127.59 3daq s VAL 43 Ca 0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3daq s VAL 43 Cb -0.16 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3daq s VAL 43 CO 0.11 0.55 0.72 0.59 0.00 0.00 0.00 175.10 177.06 3daq n ASN 44 N 2.03 -5.71 -1.15 3.32 5.03 -1.26 -0.18 115.26 117.34 3daq n ASN 44 Ca -0.17 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 54.95 3daq n ASN 44 Cb 0.53 -4.46 0.00 0.00 -1.02 0.00 0.00 39.78 34.83 3daq n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3daq n GLY 45 N -1.58 1.18 0.27 7.41 0.00 -1.26 -4.31 105.19 106.89 3daq n GLY 45 Ca -0.06 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.08 0.91 0.00 2.61 2.02 -1.95 -1.91 112.91 114.51 3daq h THR 46 Ca 0.00 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3daq h THR 46 Cb 0.00 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3daq h THR 46 CO 0.00 0.12 -0.01 0.74 0.37 0.00 0.00 175.52 176.74 3daq h THR 47 N 0.66 0.03 -0.00 3.16 2.02 -1.84 -1.94 112.91 114.99 3daq h THR 47 Ca 0.33 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3daq h THR 47 Cb 0.28 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3daq h THR 47 CO -0.23 0.01 -0.00 0.00 0.37 0.00 0.00 175.52 175.68 3daq n ALA 48 N -2.10 2.63 -3.15 6.16 0.00 -0.74 -4.31 120.51 119.00 3daq n ALA 48 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3daq n ALA 48 Cb 0.41 -1.51 0.05 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 -1.08 -5.32 -0.29 0.00 1.02 -0.73 -4.31 120.64 109.93 3daq n GLU 49 Ca 0.21 0.71 0.15 0.00 -0.02 0.00 0.00 57.16 58.21 3daq n GLU 49 Cb 0.15 -5.27 0.40 0.00 -0.02 0.00 0.00 31.44 26.69 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 -1.70 0.63 -0.01 1.62 4.64 -1.68 -1.12 113.55 115.92 3daq h SER 50 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3daq h SER 50 Cb 1.30 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3daq h SER 50 CO 0.46 0.27 0.05 -0.65 -0.87 0.00 0.00 176.83 176.08 3daq h PRO 51 N 0.63 0.00 -0.03 4.77 0.11 -1.91 -2.64 132.00 132.93 3daq h PRO 51 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3daq h PRO 51 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3daq h PRO 51 CO -0.25 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.79 3daq n THR 52 N -3.32 0.03 -2.93 -1.15 -2.24 -0.43 -4.98 114.28 99.27 3daq n THR 52 Ca -0.03 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 3daq n THR 52 Cb 0.12 1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.07 4.35 0.78 3.22 1.43 -1.00 -5.06 118.68 121.32 3daq s LEU 53 Ca 0.15 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 3daq s LEU 53 Cb 0.11 -3.80 0.06 0.00 0.03 0.00 0.00 46.19 42.59 3daq s LEU 53 CO 0.16 -0.01 1.09 0.42 0.23 0.00 0.00 176.35 178.23 3daq s THR 54 N -1.56 3.31 0.25 5.49 -4.23 -1.26 -4.87 115.64 112.77 3daq s THR 54 Ca 0.46 0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 61.35 3daq s THR 54 Cb -0.18 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.74 3daq s THR 54 CO 0.23 -0.56 1.85 0.74 -0.54 0.00 0.00 174.62 176.34 3daq h THR 55 N -1.04 1.24 -0.74 3.99 2.02 -1.97 -0.83 112.91 115.59 3daq h THR 55 Ca -0.46 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 3daq h THR 55 Cb 1.25 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 3daq h THR 55 CO 0.57 0.29 0.31 0.44 0.37 0.00 0.00 175.52 177.51 3daq h ASP 56 N 1.13 1.01 -0.24 4.18 3.32 -1.99 -1.01 116.42 122.82 3daq h ASP 56 Ca 0.28 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3daq h ASP 56 Cb 0.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3daq h ASP 56 CO -0.04 0.90 0.10 -0.33 -1.72 0.00 0.00 179.24 178.16 3daq h GLU 57 N 1.07 0.35 -0.55 3.56 5.08 -1.83 -0.95 114.58 121.30 3daq h GLU 57 Ca 0.25 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3daq h GLU 57 Cb 0.19 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3daq h GLU 57 CO -0.02 0.38 0.31 0.87 -1.00 0.00 0.00 179.01 179.55 3daq h LYS 58 N 0.24 0.59 -0.42 2.33 1.57 -0.87 0.27 116.57 120.29 3daq h LYS 58 Ca 0.08 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3daq h LYS 58 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3daq h LYS 58 CO -0.01 0.39 -0.21 0.93 -0.57 0.00 0.00 179.45 179.99 3daq h GLU 59 N 0.61 0.82 -0.25 3.15 5.08 -1.05 -0.89 114.58 122.05 3daq h GLU 59 Ca 0.23 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3daq h GLU 59 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3daq h GLU 59 CO -0.12 0.96 -0.01 1.25 -1.00 0.00 0.00 179.01 180.08 3daq h LEU 60 N 0.72 0.45 -0.14 1.33 5.85 -0.80 -0.89 115.31 121.84 3daq h LEU 60 Ca 0.10 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3daq h LEU 60 Cb 0.73 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3daq h LEU 60 CO 0.06 0.66 0.07 0.40 -0.34 0.00 0.00 178.44 179.29 3daq h ILE 61 N 0.22 1.01 -0.40 4.05 2.04 -0.87 -0.89 117.51 122.66 3daq h ILE 61 Ca 0.07 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3daq h ILE 61 Cb 0.44 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3daq h ILE 61 CO 0.02 0.03 0.17 0.25 0.00 0.00 0.00 178.15 178.61 3daq h LEU 62 N 0.15 0.55 -0.78 1.44 5.85 -1.07 -0.55 115.31 120.92 3daq h LEU 62 Ca 0.05 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3daq h LEU 62 Cb 0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3daq h LEU 62 CO -0.03 0.56 0.30 0.50 -0.34 0.00 0.00 178.44 179.43 3daq h LYS 63 N 0.51 1.17 -0.47 1.25 1.63 -1.06 0.17 116.57 119.76 3daq h LYS 63 Ca 0.14 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3daq h LYS 63 Cb 0.18 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 3daq h LYS 63 CO -0.01 0.95 0.23 1.15 -3.45 0.00 0.00 179.45 178.32 3daq h THR 64 N 1.13 1.18 -0.23 1.00 2.02 -0.70 -0.65 112.91 116.66 3daq h THR 64 Ca 0.26 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3daq h THR 64 Cb 0.23 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3daq h THR 64 CO -0.02 0.20 -0.02 0.58 0.37 0.00 0.00 175.52 176.63 3daq h VAL 65 N 0.62 1.27 -0.42 3.16 2.07 -0.85 -1.75 116.25 120.34 3daq h VAL 65 Ca 0.16 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.76 3daq h VAL 65 Cb 0.11 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3daq h VAL 65 CO -0.02 0.30 0.17 0.40 0.02 0.00 0.00 177.57 178.44 3daq h ILE 66 N 0.18 0.90 -0.36 4.57 2.04 -0.78 -0.58 117.51 123.48 3daq h ILE 66 Ca 0.06 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3daq h ILE 66 Cb 0.45 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3daq h ILE 66 CO 0.02 0.06 -0.30 0.44 0.00 0.00 0.00 178.15 178.37 3daq h ASP 67 N 0.35 0.82 -0.09 1.72 3.32 -1.08 -0.50 116.42 120.96 3daq h ASP 67 Ca 0.19 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3daq h ASP 67 Cb 0.16 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3daq h ASP 67 CO -0.18 1.06 -0.07 0.25 -1.72 0.00 0.00 179.24 178.58 3daq h LEU 68 N 0.67 0.21 -0.83 1.55 5.85 -1.06 -3.24 115.31 118.46 3daq h LEU 68 Ca 0.08 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 3daq h LEU 68 Cb 0.84 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3daq h LEU 68 CO 0.07 0.62 0.03 0.58 -0.34 0.00 0.00 178.44 179.40 3daq h VAL 69 N -0.20 1.25 -6.20 1.05 2.07 -1.09 -3.47 116.25 109.66 3daq h VAL 69 Ca 0.02 -1.03 -0.23 0.00 0.82 0.00 0.00 66.70 66.28 3daq h VAL 69 Cb 0.55 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3daq h VAL 69 CO 0.02 0.37 -0.48 -0.67 0.02 0.00 0.00 177.57 176.83 3daq n ASP 70 N -4.21 -2.01 0.00 0.57 2.03 -0.20 -1.57 116.55 111.16 3daq n ASP 70 Ca 0.03 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.86 3daq n ASP 70 Cb 0.30 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -1.82 -0.26 -0.04 -0.67 4.76 -1.26 -4.90 118.16 113.97 3daq n LYS 71 Ca -0.12 0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.30 3daq n LYS 71 Cb 0.29 -3.22 0.08 0.00 -1.84 0.00 0.00 35.03 30.34 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 1.25 0.67 -4.06 1.97 3.08 -1.67 -3.45 114.38 112.17 3daq h ARG 72 Ca 0.00 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 3daq h ARG 72 Cb 0.13 -0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.03 3daq h ARG 72 CO 0.00 0.93 -0.53 0.14 -1.07 0.00 0.00 179.97 179.43 3daq s VAL 73 N -4.34 0.17 0.29 2.04 -7.23 -1.26 -5.06 120.40 105.00 3daq s VAL 73 Ca -0.08 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 3daq s VAL 73 Cb 0.12 -1.50 -0.11 0.00 0.56 0.00 0.00 36.38 35.46 3daq s VAL 73 CO 0.84 -0.79 1.49 -2.84 -0.31 0.00 0.00 175.10 173.49 3daq s PRO 74 N -3.91 4.20 -0.29 4.82 0.02 -1.26 -4.86 135.00 133.72 3daq s PRO 74 Ca 0.08 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 3daq s PRO 74 Cb 0.06 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.52 3daq s PRO 74 CO -0.09 -0.50 0.12 0.08 -0.33 0.00 0.00 177.00 176.28 3daq s VAL 75 N -0.27 4.44 -0.24 3.83 1.01 -1.26 -1.54 120.40 126.37 3daq s VAL 75 Ca 0.59 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3daq s VAL 75 Cb -0.45 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 3daq s VAL 75 CO 0.49 0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 175.10 3daq s ILE 76 N 1.60 3.48 -0.24 2.22 1.01 0.03 -1.08 121.20 128.23 3daq s ILE 76 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3daq s ILE 76 Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3daq s ILE 76 CO 0.05 0.32 0.50 0.00 0.00 0.00 0.00 174.94 175.82 3daq s ALA 77 N 1.47 3.57 -0.22 9.38 0.00 -0.08 -0.59 121.76 135.29 3daq s ALA 77 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 3daq s ALA 77 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 3daq s ALA 77 CO -0.02 -0.60 1.53 0.20 0.00 0.00 0.00 175.76 176.87 3daq s GLY 78 N 1.38 1.31 0.00 0.00 0.00 0.74 -0.73 107.32 110.01 3daq s GLY 78 Ca 0.22 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3daq s GLY 78 CO 0.09 2.89 0.00 -1.30 0.00 0.00 0.00 173.10 174.78 3daq n THR 79 N 6.22 0.00 -2.68 0.90 -2.24 -0.97 -4.77 114.28 110.74 3daq n THR 79 Ca 0.17 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 3daq n THR 79 Cb 0.45 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.72 3.05 0.00 3.38 0.00 -1.11 -4.58 107.32 107.33 3daq s GLY 80 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3daq s GLY 80 CO 0.00 1.36 0.00 -1.30 0.00 0.00 0.00 173.10 173.16 3daq n THR 81 N 1.91 0.00 0.52 0.90 -2.24 -1.26 -4.51 114.28 109.61 3daq n THR 81 Ca -0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3daq n THR 81 Cb 0.47 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.38 2.53 -4.02 3.42 6.94 -1.26 -4.55 115.26 116.93 3daq n ASN 82 Ca 0.00 -2.11 -0.31 0.00 -0.02 0.00 0.00 54.58 52.13 3daq n ASN 82 Cb 0.00 -0.35 -0.15 0.00 -2.36 0.00 0.00 39.78 36.92 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 -0.88 4.08 0.13 0.53 -1.08 -1.26 -4.88 116.67 113.32 3daq s ASP 83 Ca 0.28 -1.24 -0.17 0.00 -0.52 0.00 0.00 52.55 50.91 3daq s ASP 83 Cb 0.16 -1.40 -0.02 0.00 -1.46 0.00 0.00 42.92 40.21 3daq s ASP 83 CO 0.17 -0.19 1.74 0.74 0.52 0.00 0.00 175.17 178.15 3daq h THR 84 N 6.66 1.14 -0.32 1.71 2.02 -1.96 -0.77 112.91 121.38 3daq h THR 84 Ca -0.21 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3daq h THR 84 Cb 1.06 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3daq h THR 84 CO 0.46 0.14 0.19 -0.08 0.37 0.00 0.00 175.52 176.60 3daq h GLU 85 N 0.44 0.44 -0.14 6.66 4.57 -1.98 -0.11 114.58 124.46 3daq h GLU 85 Ca 0.12 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 3daq h GLU 85 Cb 0.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3daq h GLU 85 CO -0.02 0.35 -0.23 0.87 -1.18 0.00 0.00 179.01 178.79 3daq h LYS 86 N 0.41 0.24 -0.64 1.92 1.57 -1.95 -2.04 116.57 116.09 3daq h LYS 86 Ca 0.12 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3daq h LYS 86 Cb 0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3daq h LYS 86 CO -0.02 0.47 0.07 0.77 -0.57 0.00 0.00 179.45 180.17 3daq h SER 87 N 0.22 1.04 -0.21 0.86 0.02 -0.55 -1.33 113.55 113.60 3daq h SER 87 Ca 0.04 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 3daq h SER 87 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3daq h SER 87 CO 0.04 1.05 0.14 0.40 -1.14 0.00 0.00 176.83 177.31 3daq h ILE 88 N 1.00 1.06 -0.26 3.27 2.04 -0.55 -1.21 117.51 122.87 3daq h ILE 88 Ca 0.19 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3daq h ILE 88 Cb 0.47 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3daq h ILE 88 CO 0.02 0.06 0.15 1.56 0.00 0.00 0.00 178.15 179.94 3daq h GLN 89 N 0.29 0.35 -0.46 2.37 1.08 -1.14 -1.11 115.11 116.48 3daq h GLN 89 Ca 0.08 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 3daq h GLN 89 Cb -0.03 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3daq h GLN 89 CO -0.02 0.27 0.02 0.00 -0.95 0.00 0.00 178.83 178.15 3daq h ALA 90 N 1.05 1.16 -0.26 3.87 0.00 -1.16 -2.06 119.26 121.86 3daq h ALA 90 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3daq h ALA 90 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3daq h ALA 90 CO -0.02 0.55 -0.07 0.77 0.00 0.00 0.00 179.25 180.48 3daq h SER 91 N 0.71 0.52 -0.89 0.00 0.02 -0.89 -0.30 113.55 112.71 3daq h SER 91 Ca 0.14 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3daq h SER 91 Cb 0.41 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3daq h SER 91 CO 0.02 0.76 0.58 0.40 -1.14 0.00 0.00 176.83 177.45 3daq h ILE 92 N 0.26 1.20 -0.39 3.27 2.04 -1.06 -1.58 117.51 121.25 3daq h ILE 92 Ca 0.07 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 3daq h ILE 92 Cb 0.54 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3daq h ILE 92 CO 0.03 0.21 -0.32 -0.61 0.00 0.00 0.00 178.15 177.46 3daq h GLN 93 N 1.17 0.91 -0.84 2.37 5.75 -1.22 -1.53 115.11 121.73 3daq h GLN 93 Ca 0.34 -0.46 0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3daq h GLN 93 Cb -0.08 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 3daq h GLN 93 CO -0.09 1.11 0.52 0.00 -2.65 0.00 0.00 178.83 177.72 3daq h ALA 94 N 0.78 1.16 -0.42 3.38 0.00 -0.73 -0.67 119.26 122.76 3daq h ALA 94 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3daq h ALA 94 Cb 0.91 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3daq h ALA 94 CO 0.08 0.27 0.21 -0.22 0.00 0.00 0.00 179.25 179.59 3daq h LYS 95 N 0.96 0.60 -0.24 0.00 3.64 -1.06 -1.77 116.57 118.70 3daq h LYS 95 Ca 0.37 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3daq h LYS 95 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3daq h LYS 95 CO -0.17 0.52 0.13 0.00 -2.27 0.00 0.00 179.45 177.66 3daq h ALA 96 N 1.06 1.78 0.00 5.00 0.00 -0.51 -1.13 119.26 125.46 3daq h ALA 96 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3daq h ALA 96 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3daq h ALA 96 CO -0.02 0.19 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 3daq h LEU 97 N 0.32 0.00 0.00 0.00 3.38 -0.76 -3.47 115.31 114.79 3daq h LEU 97 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3daq h LEU 97 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3daq h LEU 97 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3daq n GLY 98 N 0.87 1.48 3.76 0.83 0.00 -0.43 -4.90 105.19 106.80 3daq n GLY 98 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 2.97 -0.24 4.61 0.00 -0.70 -4.93 121.76 121.47 3daq s ALA 99 Ca 0.00 1.32 0.20 0.00 0.00 0.00 0.00 51.96 53.47 3daq s ALA 99 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.63 3daq s ALA 99 CO 0.00 -1.22 1.22 -0.44 0.00 0.00 0.00 175.76 175.32 3daq h ASP 100 N 1.82 0.00 -5.01 0.00 3.32 -1.45 -3.44 116.42 111.66 3daq h ASP 100 Ca -0.51 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.59 3daq h ASP 100 Cb 1.28 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 3daq h ASP 100 CO 0.59 0.25 0.24 0.00 -1.72 0.00 0.00 179.24 178.60 3daq s ALA 101 N -3.14 -1.36 0.18 3.45 0.00 -1.17 -4.23 121.76 115.49 3daq s ALA 101 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.04 3daq s ALA 101 Cb 0.08 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 3daq s ALA 101 CO 0.76 -0.95 -0.20 0.96 0.00 0.00 0.00 175.76 176.32 3daq s ILE 102 N -3.83 2.05 -0.09 0.00 -4.36 -0.19 -0.90 121.20 113.88 3daq s ILE 102 Ca 0.08 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3daq s ILE 102 Cb -0.04 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 3daq s ILE 102 CO 0.01 -0.26 -0.21 -0.32 0.24 0.00 0.00 174.94 174.40 3daq s MET 103 N -2.82 2.91 -0.24 0.37 -2.45 0.09 -0.37 119.30 116.79 3daq s MET 103 Ca 0.19 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 53.81 3daq s MET 103 Cb -0.06 -2.33 0.06 0.00 1.25 0.00 0.00 34.83 33.74 3daq s MET 103 CO 0.08 0.29 -0.07 -0.51 1.05 0.00 0.00 175.02 175.87 3daq s LEU 104 N 0.08 2.78 0.67 4.11 1.43 0.24 -2.30 118.68 125.69 3daq s LEU 104 Ca -0.09 -1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 51.63 3daq s LEU 104 Cb -0.15 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.80 3daq s LEU 104 CO 0.06 -0.22 1.12 -0.51 0.23 0.00 0.00 176.35 177.03 3daq s ILE 105 N 1.32 3.12 0.86 -0.59 2.07 -1.26 -0.77 121.20 125.95 3daq s ILE 105 Ca -0.07 0.53 -0.10 0.00 -1.41 0.00 0.00 60.65 59.60 3daq s ILE 105 Cb -0.19 -3.05 0.11 0.00 0.13 0.00 0.00 42.46 39.46 3daq s ILE 105 CO -0.06 -0.32 1.12 0.42 -1.91 0.00 0.00 174.94 174.19 3daq s THR 106 N -2.29 2.67 1.07 4.00 -4.23 -0.84 -4.73 115.64 111.28 3daq s THR 106 Ca 0.68 0.22 -0.14 0.00 -1.18 0.00 0.00 61.69 61.26 3daq s THR 106 Cb -0.22 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.30 3daq s THR 106 CO 0.42 -0.28 0.59 -2.65 -0.54 0.00 0.00 174.62 172.16 3daq n PRO 107 N -3.92 -1.40 -3.50 3.99 -0.02 -1.26 -4.79 135.00 124.10 3daq n PRO 107 Ca 0.10 -0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.06 3daq n PRO 107 Cb 0.53 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.39 -0.57 0.00 6.00 1.13 -1.26 -4.56 117.35 115.69 3daq s TYR 108 Ca 0.62 0.73 0.00 0.00 -1.41 0.00 0.00 57.07 57.00 3daq s TYR 108 Cb -0.20 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 3daq s TYR 108 CO 0.65 -0.70 0.00 0.98 -2.51 0.00 0.00 175.55 173.97 3daq n TYR 109 N 0.37 0.00 -0.04 -3.49 9.36 -1.26 -3.83 117.16 118.27 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 0.60 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.36 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 0.74 -0.87 2.98 7.08 -1.92 -3.49 115.58 120.09 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 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 36.03 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 -4.02 -0.02 -3.43 4.14 5.02 -1.25 -5.02 118.16 113.57 3daq n LYS 111 Ca -0.02 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 3daq n LYS 111 Cb 0.55 -0.03 0.02 0.00 -0.02 0.00 0.00 35.03 35.55 3daq n LYS 111 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3daq n THR 112 N -1.73 0.00 -2.73 -0.18 5.66 -1.26 -4.79 114.28 109.25 3daq n THR 112 Ca 0.00 -0.46 -0.19 0.00 -3.05 0.00 0.00 64.05 60.35 3daq n THR 112 Cb 0.00 0.64 0.09 0.00 -1.55 0.00 0.00 70.33 69.51 3daq n THR 112 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3daq n ASN 113 N -1.17 1.40 0.07 1.09 0.23 -1.26 -4.91 115.26 110.70 3daq n ASN 113 Ca -0.02 -2.10 -0.04 0.00 -0.53 0.00 0.00 54.58 51.89 3daq n ASN 113 Cb 0.48 -0.49 0.19 0.00 -2.08 0.00 0.00 39.78 37.88 3daq n ASN 113 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3daq h GLN 114 N 0.00 0.32 -0.73 -3.83 1.08 -1.99 -1.09 115.11 108.86 3daq h GLN 114 Ca -0.27 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 3daq h GLN 114 Cb 1.06 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 3daq h GLN 114 CO 0.32 0.69 0.38 0.00 -0.95 0.00 0.00 178.83 179.27 3daq h ARG 115 N 0.27 1.04 -0.86 1.46 3.08 -2.00 -1.81 114.38 115.56 3daq h ARG 115 Ca 0.02 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3daq h ARG 115 Cb 0.86 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3daq h ARG 115 CO 0.07 0.79 0.42 0.78 -1.07 0.00 0.00 179.97 180.96 3daq h GLY 116 N 1.02 1.32 0.94 0.04 0.00 -1.82 -2.00 103.07 102.56 3daq h GLY 116 Ca 0.26 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3daq h GLY 116 CO -0.04 0.62 0.27 1.41 0.00 0.00 0.00 176.54 178.80 3daq h LEU 117 N 1.22 0.45 -0.24 3.11 3.38 -0.80 0.11 115.31 122.54 3daq h LEU 117 Ca 0.30 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3daq h LEU 117 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3daq h LEU 117 CO -0.04 0.33 0.15 0.58 0.09 0.00 0.00 178.44 179.54 3daq h VAL 118 N 0.55 1.09 -0.73 1.22 2.07 -1.10 0.01 116.25 119.36 3daq h VAL 118 Ca 0.17 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3daq h VAL 118 Cb -0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3daq h VAL 118 CO -0.06 0.09 0.34 0.11 0.02 0.00 0.00 177.57 178.06 3daq h LYS 119 N 0.30 1.06 0.65 1.57 1.57 -1.08 -0.99 116.57 119.66 3daq h LYS 119 Ca 0.09 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3daq h LYS 119 Cb 0.01 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.14 3daq h LYS 119 CO -0.02 0.84 -0.31 1.25 -0.57 0.00 0.00 179.45 180.64 3daq h HIS 120 N 1.03 -0.81 -0.58 -1.35 2.76 -0.42 -0.85 115.15 114.92 3daq h HIS 120 Ca 0.25 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3daq h HIS 120 Cb 0.14 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3daq h HIS 120 CO 0.01 -0.47 0.07 0.74 -1.30 0.00 0.00 177.93 176.98 3daq h PHE 121 N -1.01 1.05 -0.46 5.26 0.04 -1.00 -2.56 116.94 118.25 3daq h PHE 121 Ca -0.09 -0.16 -0.10 0.00 2.80 0.00 0.00 57.97 60.42 3daq h PHE 121 Cb 0.71 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3daq h PHE 121 CO -0.01 0.92 -0.13 0.93 -0.60 0.00 0.00 178.31 179.42 3daq h GLU 122 N 0.87 0.86 -0.56 1.51 5.08 -1.19 -0.67 114.58 120.48 3daq h GLU 122 Ca 0.17 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3daq h GLU 122 Cb 0.46 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3daq h GLU 122 CO 0.02 0.94 0.35 0.00 -1.00 0.00 0.00 179.01 179.31 3daq h ALA 123 N 1.08 0.72 -0.15 3.43 0.00 -0.98 0.16 119.26 123.51 3daq h ALA 123 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3daq h ALA 123 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3daq h ALA 123 CO 0.04 0.19 -0.19 0.82 0.00 0.00 0.00 179.25 180.12 3daq h ILE 124 N 0.76 1.35 -0.64 0.00 2.04 -1.28 -2.21 117.51 117.53 3daq h ILE 124 Ca 0.20 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.72 3daq h ILE 124 Cb -0.03 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3daq h ILE 124 CO -0.04 0.41 0.38 0.00 0.00 0.00 0.00 178.15 178.90 3daq h ALA 125 N 0.60 0.84 -0.68 1.87 0.00 -1.00 -1.05 119.26 119.84 3daq h ALA 125 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3daq h ALA 125 Cb 0.74 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3daq h ALA 125 CO 0.04 0.10 0.39 -0.44 0.00 0.00 0.00 179.25 179.35 3daq h ASP 126 N 0.73 0.60 -0.23 0.00 3.32 -0.62 -1.51 116.42 118.71 3daq h ASP 126 Ca 0.27 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3daq h ASP 126 Cb 0.08 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3daq h ASP 126 CO -0.13 0.39 -0.20 0.00 -1.72 0.00 0.00 179.24 177.59 3daq h ALA 127 N 1.34 0.34 0.09 3.45 0.00 -0.96 -3.35 119.26 120.16 3daq h ALA 127 Ca 0.30 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 3daq h ALA 127 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3daq h ALA 127 CO -0.16 0.27 -1.48 -0.24 0.00 0.00 0.00 179.25 177.64 3daq h VAL 128 N 0.24 1.20 -6.12 0.00 3.04 -1.08 -3.48 116.25 110.05 3daq h VAL 128 Ca 0.04 -2.87 -0.42 0.00 -1.01 0.00 0.00 66.70 62.44 3daq h VAL 128 Cb 0.74 2.75 0.05 0.00 -2.01 0.00 0.00 31.29 32.81 3daq h VAL 128 CO 0.05 0.81 -0.84 0.29 -1.01 0.00 0.00 177.57 176.87 3daq n LYS 129 N -3.41 -4.65 -3.85 4.17 5.02 -0.58 -4.97 118.16 109.89 3daq n LYS 129 Ca -0.14 0.60 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3daq n LYS 129 Cb 1.03 -5.10 -0.10 0.00 -0.02 0.00 0.00 35.03 30.84 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 -6.68 1.44 0.24 -0.35 2.96 -1.26 -5.11 118.68 109.92 3daq s LEU 130 Ca 0.01 -0.11 -0.31 0.00 -0.22 0.00 0.00 54.13 53.51 3daq s LEU 130 Cb -0.00 0.74 -0.14 0.00 0.50 0.00 0.00 46.19 47.29 3daq s LEU 130 CO 0.82 -0.35 1.33 -2.65 -1.32 0.00 0.00 176.35 174.18 3daq n PRO 131 N 1.60 1.87 -5.00 0.98 -0.02 -1.26 -4.79 135.00 128.38 3daq n PRO 131 Ca -0.21 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 3daq n PRO 131 Cb 0.56 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.27 2.58 -0.32 -1.45 1.01 0.15 -1.02 120.40 121.08 3daq s VAL 132 Ca 0.67 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3daq s VAL 132 Cb -0.67 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 3daq s VAL 132 CO 0.52 0.54 0.15 -0.69 0.00 0.00 0.00 175.10 175.63 3daq s VAL 133 N 0.28 4.54 0.60 2.92 1.01 0.50 -1.17 120.40 129.09 3daq s VAL 133 Ca -0.13 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 3daq s VAL 133 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3daq s VAL 133 CO 0.07 0.03 1.12 -0.76 0.00 0.00 0.00 175.10 175.56 3daq s LEU 134 N 1.60 3.57 -0.12 3.92 1.43 0.17 -0.59 118.68 128.65 3daq s LEU 134 Ca 0.04 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.21 3daq s LEU 134 Cb -0.17 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.52 3daq s LEU 134 CO 0.06 -1.43 0.03 -0.47 0.23 0.00 0.00 176.35 174.76 3daq s TYR 135 N -2.05 0.66 -0.25 0.29 5.04 0.05 0.41 117.35 121.50 3daq s TYR 135 Ca 0.70 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3daq s TYR 135 Cb -0.22 -0.83 0.03 0.00 0.35 0.00 0.00 41.96 41.28 3daq s TYR 135 CO 0.34 -0.43 -0.07 1.21 -1.34 0.00 0.00 175.55 175.27 3daq s ASN 136 N 1.98 4.30 -0.42 4.32 2.47 -0.50 -1.98 114.94 125.11 3daq s ASN 136 Ca 0.03 -0.89 0.05 0.00 0.42 0.00 0.00 52.86 52.46 3daq s ASN 136 Cb -0.14 -1.66 0.18 0.00 -1.45 0.00 0.00 41.25 38.18 3daq s ASN 136 CO -0.06 -0.13 0.38 0.55 -3.72 0.00 0.00 177.10 174.12 3daq n VAL 137 N 4.66 -1.10 0.07 -5.21 3.14 -1.26 -0.66 118.33 117.97 3daq n VAL 137 Ca -0.16 -3.29 0.20 0.00 -2.96 0.00 0.00 64.34 58.13 3daq n VAL 137 Cb 0.47 -1.47 0.74 0.00 -1.06 0.00 0.00 33.84 32.51 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 5.45 0.00 0.00 1.45 0.11 -1.81 0.17 132.00 137.37 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 0.66 -0.21 0.00 0.00 178.00 178.80 3daq h SER 139 N 0.00 0.00 0.00 -2.05 4.64 -1.89 0.17 113.55 114.42 3daq h SER 139 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3daq h SER 139 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3daq h SER 139 CO -0.00 0.00 -1.33 0.54 -0.87 0.00 0.00 176.83 175.17 3daq n ARG 140 N -2.56 0.57 -0.00 4.77 1.74 -0.03 -4.78 116.66 116.36 3daq n ARG 140 Ca 0.00 -0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.04 3daq n ARG 140 Cb 0.18 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.76 0.00 -2.64 0.55 -2.24 -0.72 -4.85 114.28 102.62 3daq n THR 141 Ca -0.01 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3daq n THR 141 Cb 0.22 0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.46 -3.85 -4.09 3.42 4.05 0.59 -4.49 115.26 109.42 3daq n ASN 142 Ca -0.00 0.08 -0.10 0.00 0.45 0.00 0.00 54.58 55.00 3daq n ASN 142 Cb 0.13 -3.26 -0.08 0.00 1.23 0.00 0.00 39.78 37.81 3daq n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3daq s MET 143 N -5.24 1.37 0.18 1.20 0.23 -1.26 -5.06 119.30 110.71 3daq s MET 143 Ca 0.09 -1.43 0.02 0.00 -1.03 0.00 0.00 55.69 53.33 3daq s MET 143 Cb -0.05 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.58 3daq s MET 143 CO 0.11 -0.52 0.01 -0.08 -2.03 0.00 0.00 175.02 172.51 3daq s THR 144 N -4.09 0.64 -0.47 3.16 -1.32 -1.26 -3.78 115.64 108.53 3daq s THR 144 Ca 0.30 -1.98 -0.14 0.00 -1.21 0.00 0.00 61.69 58.66 3daq s THR 144 Cb 0.03 -2.16 0.08 0.00 -1.51 0.00 0.00 72.50 68.94 3daq s THR 144 CO 0.10 -0.44 0.38 -0.63 -2.21 0.00 0.00 174.62 171.83 3daq s ILE 145 N -3.69 5.06 0.62 5.08 1.01 -1.26 -4.97 121.20 123.06 3daq s ILE 145 Ca 0.25 -1.15 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3daq s ILE 145 Cb 0.06 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3daq s ILE 145 CO 0.05 -0.58 1.21 -1.61 0.00 0.00 0.00 174.94 174.00 3daq s GLU 146 N 1.60 2.81 0.27 2.79 0.41 -1.26 -4.66 118.70 120.66 3daq s GLU 146 Ca 0.04 1.81 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 3daq s GLU 146 Cb -0.24 -1.91 0.60 0.00 -1.78 0.00 0.00 34.13 30.79 3daq s GLU 146 CO 0.06 -1.33 1.73 -1.35 -0.49 0.00 0.00 175.26 173.88 3daq h PRO 147 N 0.64 0.48 -0.59 0.39 0.11 -1.92 0.19 132.00 131.30 3daq h PRO 147 Ca -0.50 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.61 3daq h PRO 147 Cb 1.30 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3daq h PRO 147 CO 0.54 0.32 0.39 0.93 -0.21 0.00 0.00 178.00 179.97 3daq h GLU 148 N 0.49 0.69 -0.14 1.05 3.07 -1.91 -0.64 114.58 117.19 3daq h GLU 148 Ca 0.49 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 59.13 3daq h GLU 148 Cb 0.82 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3daq h GLU 148 CO -0.44 0.46 -0.64 1.15 -1.40 0.00 0.00 179.01 178.14 3daq h THR 149 N 0.71 1.31 -0.81 1.13 2.02 -1.03 -2.42 112.91 113.82 3daq h THR 149 Ca 0.23 -1.88 0.08 0.00 0.77 0.00 0.00 66.41 65.62 3daq h THR 149 Cb 0.05 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 3daq h THR 149 CO -0.06 0.59 0.46 0.58 0.37 0.00 0.00 175.52 177.46 3daq h VAL 150 N 0.37 0.94 0.05 3.16 2.07 -0.65 -0.94 116.25 121.25 3daq h VAL 150 Ca -0.04 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3daq h VAL 150 Cb 1.27 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3daq h VAL 150 CO 0.13 0.15 -0.18 -0.08 0.02 0.00 0.00 177.57 177.61 3daq h GLU 151 N 0.80 -0.31 -0.45 1.57 4.81 -1.00 0.11 114.58 120.10 3daq h GLU 151 Ca 0.38 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.68 3daq h GLU 151 Cb 0.31 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3daq h GLU 151 CO -0.23 -0.21 0.18 0.82 -0.73 0.00 0.00 179.01 178.85 3daq h ILE 152 N -0.32 0.90 -0.15 2.32 2.04 -1.04 -2.62 117.51 118.64 3daq h ILE 152 Ca 0.04 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 3daq h ILE 152 Cb 0.37 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3daq h ILE 152 CO -0.14 0.07 -0.48 -0.07 0.00 0.00 0.00 178.15 177.53 3daq h LEU 153 N 0.37 0.42 -2.40 1.44 3.38 -0.89 -2.69 115.31 114.94 3daq h LEU 153 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3daq h LEU 153 Cb 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3daq h LEU 153 CO -0.19 0.84 -0.03 0.77 0.09 0.00 0.00 178.44 179.92 3daq h SER 154 N 0.31 0.00 1.07 -0.43 4.64 -0.41 -1.10 113.55 117.64 3daq h SER 154 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3daq h SER 154 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3daq h SER 154 CO 0.08 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 3daq n GLN 155 N -3.37 0.17 -2.18 4.77 6.02 -1.01 -4.77 117.38 117.01 3daq n GLN 155 Ca -0.02 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 3daq n GLN 155 Cb 0.15 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 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 -3.14 3.23 0.59 1.08 2.46 -0.42 -4.93 115.29 114.17 3daq s HIS 156 Ca 0.09 1.08 0.29 0.00 0.47 0.00 0.00 55.06 57.00 3daq s HIS 156 Cb 0.12 -3.66 1.77 0.00 -0.13 0.00 0.00 32.58 30.69 3daq s HIS 156 CO 0.49 -2.17 2.20 -1.00 -2.47 0.00 0.00 174.74 171.79 3daq h PRO 157 N 6.00 0.00 -0.01 2.88 0.13 -1.88 -2.38 132.00 136.74 3daq h PRO 157 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 -0.56 0.66 -0.23 0.00 0.00 178.00 178.68 3daq n TYR 158 N -3.82 0.00 -3.31 1.56 4.01 -1.26 -4.86 117.16 109.49 3daq n TYR 158 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3daq n TYR 158 Cb 0.17 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3daq n TYR 158 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3daq s ILE 159 N -2.38 5.07 0.00 -0.72 1.01 -0.90 0.35 121.20 123.63 3daq s ILE 159 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3daq s ILE 159 Cb 0.15 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3daq s ILE 159 CO 0.58 -0.34 0.13 1.33 0.00 0.00 0.00 174.94 176.64 3daq n VAL 160 N 5.43 0.00 -3.65 2.92 0.24 -0.31 -4.61 118.33 118.35 3daq n VAL 160 Ca -0.07 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 61.76 3daq n VAL 160 Cb 0.48 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.53 -1.50 -0.07 2.33 0.00 -1.16 -1.45 121.76 119.38 3daq s ALA 161 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3daq s ALA 161 Cb 0.00 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.91 3daq s ALA 161 CO 0.00 -0.91 -0.06 -1.17 0.00 0.00 0.00 175.76 173.62 3daq s LEU 162 N -2.81 1.24 -0.48 0.00 2.96 0.01 -0.66 118.68 118.94 3daq s LEU 162 Ca 0.07 -0.20 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 3daq s LEU 162 Cb -0.03 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.06 3daq s LEU 162 CO -0.02 -0.07 0.93 -0.75 -1.32 0.00 0.00 176.35 175.11 3daq s LYS 163 N 1.22 3.47 -0.48 1.98 2.20 0.16 -0.89 119.74 127.40 3daq s LYS 163 Ca -0.05 0.05 -0.10 0.00 -0.36 0.00 0.00 55.97 55.50 3daq s LYS 163 Cb -0.14 -3.96 0.12 0.00 -1.51 0.00 0.00 37.83 32.34 3daq s LYS 163 CO -0.02 -1.29 0.37 0.34 -0.36 0.00 0.00 175.35 174.40 3daq s ASP 164 N 2.41 5.79 -0.33 1.43 2.15 0.97 -1.41 116.67 127.67 3daq s ASP 164 Ca 0.35 -1.90 0.09 0.00 0.43 0.00 0.00 52.55 51.52 3daq s ASP 164 Cb -0.11 -2.04 0.68 0.00 -0.30 0.00 0.00 42.92 41.15 3daq s ASP 164 CO 0.24 -0.72 1.75 0.00 -0.17 0.00 0.00 175.17 176.28 3daq n ALA 165 N 4.95 4.62 0.17 3.66 0.00 0.17 -0.88 120.51 133.20 3daq n ALA 165 Ca -0.09 -2.56 0.03 0.00 0.00 0.00 0.00 53.44 50.82 3daq n ALA 165 Cb 0.41 -1.17 0.28 0.00 0.00 0.00 0.00 19.45 18.96 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 2.05 1.07 -5.10 0.00 1.35 -1.91 -3.42 112.91 106.93 3daq h THR 166 Ca 0.31 -1.72 -0.38 0.00 -0.55 0.00 0.00 66.41 64.07 3daq h THR 166 Cb 2.28 2.00 -0.03 0.00 -1.73 0.00 0.00 68.15 70.67 3daq h THR 166 CO 0.72 0.45 -0.57 -3.20 -0.25 0.00 0.00 175.52 172.68 3daq n ASN 167 N -3.62 -4.48 -3.94 5.36 5.15 -1.26 -4.94 115.26 107.52 3daq n ASN 167 Ca -0.01 -0.34 -0.30 0.00 -0.60 0.00 0.00 54.58 53.33 3daq n ASN 167 Cb 0.55 -3.68 -0.15 0.00 -0.53 0.00 0.00 39.78 35.97 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 -2.70 4.04 0.28 1.20 -1.08 -1.26 -5.00 116.67 112.16 3daq s ASP 168 Ca 0.36 -1.39 0.25 0.00 -0.52 0.00 0.00 52.55 51.25 3daq s ASP 168 Cb -0.18 -1.23 0.61 0.00 -1.46 0.00 0.00 42.92 40.65 3daq s ASP 168 CO 0.44 -0.27 1.68 -0.26 0.52 0.00 0.00 175.17 177.28 3daq h PHE 169 N 7.91 0.00 -0.30 -5.34 -1.00 -1.99 -1.93 116.94 114.29 3daq h PHE 169 Ca -0.15 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.51 3daq h PHE 169 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 3daq h PHE 169 CO 0.49 0.00 -0.27 1.49 -1.61 0.00 0.00 178.31 178.41 3daq h GLU 170 N 0.00 0.71 -0.31 1.51 4.57 -2.00 -2.28 114.58 116.77 3daq h GLU 170 Ca 0.00 -0.36 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 3daq h GLU 170 Cb 0.83 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 3daq h GLU 170 CO 0.00 0.98 0.13 -0.92 -1.18 0.00 0.00 179.01 178.02 3daq h TYR 171 N 0.45 0.24 -0.60 0.92 3.20 -1.93 -1.63 116.97 117.63 3daq h TYR 171 Ca 0.05 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3daq h TYR 171 Cb 0.84 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 3daq h TYR 171 CO 0.07 0.12 0.26 1.25 -1.64 0.00 0.00 178.16 178.22 3daq h LEU 172 N 0.29 0.30 -0.79 2.82 5.85 -1.30 -0.47 115.31 122.01 3daq h LEU 172 Ca 0.14 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3daq h LEU 172 Cb 0.08 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3daq h LEU 172 CO -0.12 0.19 0.04 -0.33 -0.34 0.00 0.00 178.44 177.88 3daq h GLU 173 N 0.47 0.95 -0.44 1.25 4.39 -1.04 -0.28 114.58 119.89 3daq h GLU 173 Ca 0.29 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3daq h GLU 173 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3daq h GLU 173 CO -0.26 0.92 -0.07 0.93 -1.16 0.00 0.00 179.01 179.37 3daq h GLU 174 N 0.89 0.77 -0.15 2.33 4.39 -0.70 -2.29 114.58 119.81 3daq h GLU 174 Ca 0.17 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3daq h GLU 174 Cb 0.47 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3daq h GLU 174 CO 0.02 0.82 -0.13 0.28 -1.16 0.00 0.00 179.01 178.85 3daq h VAL 175 N 0.70 1.34 -0.88 3.13 2.07 -0.83 -3.25 116.25 118.53 3daq h VAL 175 Ca 0.13 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.47 3daq h VAL 175 Cb 0.53 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3daq h VAL 175 CO 0.03 0.37 0.57 0.11 0.02 0.00 0.00 177.57 178.67 3daq h LYS 176 N -0.01 0.91 0.00 1.57 1.57 -0.88 -0.79 116.57 118.94 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 0.64 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3daq h LYS 176 CO 0.03 0.60 0.00 0.87 -0.57 0.00 0.00 179.45 180.38 3daq h LYS 177 N 0.94 0.00 -0.00 3.15 1.57 -1.45 -3.19 116.57 117.58 3daq h LYS 177 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3daq h LYS 177 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3daq h LYS 177 CO -0.15 0.00 -0.40 0.54 -0.57 0.00 0.00 179.45 178.87 3daq n ARG 178 N -2.53 2.69 -4.49 3.15 1.74 -0.35 -5.01 116.66 111.86 3daq n ARG 178 Ca 0.02 -0.30 -0.24 0.00 -0.77 0.00 0.00 57.85 56.55 3daq n ARG 178 Cb 0.25 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.82 2.21 -0.45 0.55 -5.25 -0.89 -4.72 121.20 110.83 3daq s ILE 179 Ca 0.07 -2.27 -0.16 0.00 -0.99 0.00 0.00 60.65 57.31 3daq s ILE 179 Cb 0.09 -2.46 0.05 0.00 2.95 0.00 0.00 42.46 43.09 3daq s ILE 179 CO 0.39 -0.31 0.37 -0.62 -1.79 0.00 0.00 174.94 172.99 3daq s ASP 180 N -3.54 6.14 0.56 4.36 -1.08 -1.26 -4.90 116.67 116.95 3daq s ASP 180 Ca 0.31 -1.14 0.28 0.00 -0.52 0.00 0.00 52.55 51.48 3daq s ASP 180 Cb -0.00 -2.18 1.47 0.00 -1.46 0.00 0.00 42.92 40.75 3daq s ASP 180 CO 0.15 -0.59 1.95 0.00 0.52 0.00 0.00 175.17 177.21 3daq h THR 181 N 5.72 0.54 0.00 1.71 1.03 -1.90 0.28 112.91 120.28 3daq h THR 181 Ca -0.28 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.05 3daq h THR 181 Cb 1.11 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 3daq h THR 181 CO 0.83 0.00 -0.33 0.78 -0.01 0.00 0.00 175.52 176.79 3daq h ASN 182 N 0.00 0.00 0.00 0.00 2.35 -2.02 -3.32 115.58 112.59 3daq h ASN 182 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3daq h ASN 182 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3daq h ASN 182 CO -0.00 0.33 0.00 -1.54 -1.65 0.00 0.00 177.43 174.56 3daq n SER 183 N -3.73 0.33 -3.75 5.81 3.41 -0.54 -4.67 113.62 110.49 3daq n SER 183 Ca -0.01 -0.66 -0.27 0.00 -0.26 0.00 0.00 58.87 57.68 3daq n SER 183 Cb 0.42 0.60 -0.17 0.00 -0.26 0.00 0.00 64.21 64.81 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 -0.60 0.96 0.18 7.33 5.36 -0.02 -4.78 117.98 126.41 3daq s PHE 184 Ca 0.00 -0.71 -0.13 0.00 -0.96 0.00 0.00 56.93 55.13 3daq s PHE 184 Cb 0.00 -0.98 -0.07 0.00 -0.34 0.00 0.00 43.02 41.62 3daq s PHE 184 CO 0.00 -0.55 0.57 0.00 -1.46 0.00 0.00 175.22 173.78 3daq s ALA 185 N 1.88 3.55 -0.22 11.12 0.00 -0.53 -4.28 121.76 133.28 3daq s ALA 185 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3daq s ALA 185 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3daq s ALA 185 CO -0.07 0.45 -0.13 -0.51 0.00 0.00 0.00 175.76 175.50 3daq s LEU 186 N -2.26 2.72 -0.13 0.00 1.43 -1.26 -0.81 118.68 118.37 3daq s LEU 186 Ca 0.42 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3daq s LEU 186 Cb -0.14 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3daq s LEU 186 CO 0.20 -0.07 -0.13 -0.31 0.23 0.00 0.00 176.35 176.27 3daq s TYR 187 N 1.30 2.81 0.44 0.29 1.51 -0.07 -0.19 117.35 123.43 3daq s TYR 187 Ca 0.02 -0.63 -0.25 0.00 -1.01 0.00 0.00 57.07 55.20 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 -0.08 -0.20 1.33 0.45 -1.11 0.00 0.00 175.55 175.94 3daq s SER 188 N 0.32 6.08 -0.18 2.29 0.15 -0.23 -0.02 113.70 122.12 3daq s SER 188 Ca -0.10 2.70 0.16 0.00 0.70 0.00 0.00 55.95 59.41 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 0.06 -1.01 1.46 0.61 1.20 0.00 0.00 173.24 175.56 3daq n GLY 189 N 0.63 3.87 2.67 9.45 0.00 -0.06 -0.93 105.19 120.82 3daq n GLY 189 Ca 0.05 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.76 3.28 0.43 1.61 3.84 -1.26 -4.72 114.94 116.36 3daq s ASN 190 Ca 0.43 -1.11 0.23 0.00 0.21 0.00 0.00 52.86 52.62 3daq s ASN 190 Cb 0.34 -0.57 1.23 0.00 -0.55 0.00 0.00 41.25 41.71 3daq s ASN 190 CO 0.10 -0.37 1.76 0.44 -2.79 0.00 0.00 177.10 176.24 3daq h ASP 191 N 8.26 0.33 0.19 -4.21 3.32 -1.90 -1.98 116.42 120.43 3daq h ASP 191 Ca -0.16 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3daq h ASP 191 Cb 1.07 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3daq h ASP 191 CO 0.39 0.04 -0.06 0.44 -1.72 0.00 0.00 179.24 178.33 3daq h ASP 192 N 0.28 0.00 -0.46 6.45 3.32 -1.99 -3.20 116.42 120.81 3daq h ASP 192 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3daq h ASP 192 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.32 3daq h ASP 192 CO -0.25 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 176.87 3daq n ASN 193 N -3.72 3.23 0.11 6.45 0.23 -0.74 -4.70 115.26 116.12 3daq n ASN 193 Ca -0.02 -1.98 0.03 0.00 -0.53 0.00 0.00 54.58 52.07 3daq n ASN 193 Cb 0.16 -0.31 0.41 0.00 -2.08 0.00 0.00 39.78 37.97 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 2.80 1.15 0.13 3.53 -1.51 -1.69 0.90 116.25 121.56 3daq h VAL 194 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3daq h VAL 194 Cb 0.81 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 3daq h VAL 194 CO 0.00 0.20 -0.10 0.58 -1.23 0.00 0.00 177.57 177.01 3daq h VAL 195 N 0.28 0.77 -0.52 7.19 2.07 -1.88 0.52 116.25 124.68 3daq h VAL 195 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 3daq h VAL 195 Cb 0.26 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3daq h VAL 195 CO 0.01 0.00 -0.17 -0.08 0.02 0.00 0.00 177.57 177.35 3daq h GLU 196 N -0.24 1.03 -0.63 1.57 4.81 -1.80 -1.99 114.58 117.32 3daq h GLU 196 Ca -0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3daq h GLU 196 Cb 0.22 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3daq h GLU 196 CO -0.01 1.10 0.34 -0.92 -0.73 0.00 0.00 179.01 178.79 3daq h TYR 197 N 0.90 0.86 -0.41 0.92 3.20 -0.52 -0.25 116.97 121.67 3daq h TYR 197 Ca 0.13 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3daq h TYR 197 Cb 0.75 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3daq h TYR 197 CO 0.05 0.62 -0.18 1.88 -1.64 0.00 0.00 178.16 178.89 3daq h TYR 198 N 0.86 0.97 -0.85 -3.82 0.05 -0.88 -1.14 116.97 112.15 3daq h TYR 198 Ca 0.22 -0.24 0.07 0.00 0.05 0.00 0.00 58.73 58.84 3daq h TYR 198 Cb 0.05 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.51 3daq h TYR 198 CO -0.01 1.00 0.55 1.96 -1.05 0.00 0.00 178.16 180.61 3daq h GLN 199 N 0.65 0.88 -0.36 4.88 4.20 -0.93 -2.09 115.11 122.34 3daq h GLN 199 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3daq h GLN 199 Cb 0.74 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3daq h GLN 199 CO 0.06 0.58 0.00 0.54 -0.67 0.00 0.00 178.83 179.34 3daq n ARG 200 N -4.50 1.84 -0.18 1.46 1.74 -0.14 -4.90 116.66 111.99 3daq n ARG 200 Ca 0.13 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.94 3daq n ARG 200 Cb 0.24 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3daq n ARG 200 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3daq n GLY 201 N 1.04 1.03 3.78 -0.13 0.00 -0.79 -5.05 105.19 105.08 3daq n GLY 201 Ca 0.12 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 2.11 0.00 -0.02 0.00 -0.45 -4.91 107.32 101.90 3daq s GLY 202 Ca 0.00 0.46 0.25 0.00 0.00 0.00 0.00 44.72 45.44 3daq s GLY 202 CO 0.00 0.80 1.46 -1.06 0.00 0.00 0.00 173.10 174.30 3daq n GLN 203 N -2.32 0.35 -0.54 2.90 3.00 0.73 -4.73 117.38 116.78 3daq n GLN 203 Ca 0.10 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3daq n GLN 203 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 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 1.43 -0.20 3.28 1.08 0.00 -1.24 -0.75 105.19 108.79 3daq n GLY 204 Ca 0.08 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.83 0.04 -0.32 1.61 0.11 -0.42 -1.06 120.40 116.53 3daq s VAL 205 Ca 0.00 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 3daq s VAL 205 Cb 0.00 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3daq s VAL 205 CO 0.00 -0.18 0.05 -0.63 -3.33 0.00 0.00 175.10 171.02 3daq s ILE 206 N -1.00 3.41 -0.05 7.04 1.01 -0.11 -0.59 121.20 130.91 3daq s ILE 206 Ca -0.11 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.35 3daq s ILE 206 Cb -0.04 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3daq s ILE 206 CO 0.04 -0.13 -0.16 -0.55 0.00 0.00 0.00 174.94 174.14 3daq s SER 207 N 1.33 3.89 -0.14 3.58 0.15 0.45 -4.58 113.70 118.39 3daq s SER 207 Ca -0.03 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 3daq s SER 207 Cb -0.20 -0.82 -0.26 0.00 -1.71 0.00 0.00 66.02 63.04 3daq s SER 207 CO 0.01 0.33 0.78 0.58 1.20 0.00 0.00 173.24 176.14 3daq h VAL 208 N 4.43 1.78 0.00 4.45 2.07 -1.88 -0.54 116.25 126.55 3daq h VAL 208 Ca -0.45 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 64.73 3daq h VAL 208 Cb 1.15 3.35 -0.00 0.00 -1.52 0.00 0.00 31.29 34.27 3daq h VAL 208 CO 0.50 0.60 -0.14 -0.29 0.02 0.00 0.00 177.57 178.26 3daq h ILE 209 N -0.99 0.56 0.00 4.57 6.09 -1.95 -1.62 117.51 124.16 3daq h ILE 209 Ca -0.00 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 3daq h ILE 209 Cb 0.98 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.71 3daq h ILE 209 CO 0.00 0.14 0.00 0.00 -3.07 0.00 0.00 178.15 175.22 3daq n ALA 210 N -2.26 1.33 0.25 0.18 0.00 -1.26 -1.32 120.51 117.42 3daq n ALA 210 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3daq n ALA 210 Cb 0.28 -1.09 0.61 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.50 -3.08 115.58 115.22 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 0.08 -0.89 1.33 -1.29 0.00 0.00 177.43 176.66 3daq n VAL 212 N -4.35 0.00 -2.81 2.81 0.24 -0.44 -4.82 118.33 108.96 3daq n VAL 212 Ca -0.03 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.04 3daq n VAL 212 Cb 0.16 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.53 2.14 -0.33 1.34 -5.35 -0.60 -4.92 119.36 110.10 3daq n ILE 213 Ca 0.00 -4.97 -0.01 0.00 -0.27 0.00 0.00 62.75 57.50 3daq n ILE 213 Cb 0.18 -0.96 0.11 0.00 -1.74 0.00 0.00 39.64 37.23 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 2.87 1.13 -0.15 6.28 0.13 -1.76 -1.61 132.00 138.89 3daq h PRO 214 Ca 0.15 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3daq h PRO 214 Cb 0.77 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3daq h PRO 214 CO 0.74 0.75 0.05 -0.22 -0.23 0.00 0.00 178.00 179.09 3daq h LYS 215 N 1.16 0.23 -0.39 0.86 3.64 -1.82 -0.67 116.57 119.59 3daq h LYS 215 Ca 0.35 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3daq h LYS 215 Cb -0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3daq h LYS 215 CO -0.11 0.35 -0.17 0.93 -2.27 0.00 0.00 179.45 178.18 3daq h GLU 216 N 0.06 0.73 -0.19 1.90 3.07 -1.85 0.29 114.58 118.59 3daq h GLU 216 Ca 0.05 -0.26 -0.21 0.00 -0.50 0.00 0.00 59.36 58.44 3daq h GLU 216 Cb 0.22 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3daq h GLU 216 CO -0.00 0.85 -0.70 0.35 -1.40 0.00 0.00 179.01 178.11 3daq h PHE 217 N 0.65 1.03 -0.31 4.33 3.57 -1.13 -2.81 116.94 122.28 3daq h PHE 217 Ca 0.10 -0.43 -0.08 0.00 3.53 0.00 0.00 57.97 61.09 3daq h PHE 217 Cb 0.65 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3daq h PHE 217 CO 0.03 1.25 -0.16 0.37 -2.23 0.00 0.00 178.31 177.57 3daq h GLN 218 N 0.56 0.55 -0.38 1.11 5.75 -1.02 -2.87 115.11 118.81 3daq h GLN 218 Ca -0.03 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3daq h GLN 218 Cb 1.32 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 3daq h GLN 218 CO 0.14 0.70 0.26 0.00 -2.65 0.00 0.00 178.83 177.28 3daq h ALA 219 N 1.32 1.79 -0.16 3.38 0.00 -0.77 -1.60 119.26 123.22 3daq h ALA 219 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3daq h ALA 219 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3daq h ALA 219 CO 0.04 0.18 0.10 -0.07 0.00 0.00 0.00 179.25 179.49 3daq h LEU 220 N 0.46 0.20 -0.45 0.00 3.38 -1.26 0.00 115.31 117.64 3daq h LEU 220 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3daq h LEU 220 Cb 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3daq h LEU 220 CO -0.03 0.20 0.20 0.22 0.09 0.00 0.00 178.44 179.12 3daq h TYR 221 N 0.18 0.67 -0.36 1.13 5.03 -1.43 -1.83 116.97 120.37 3daq h TYR 221 Ca 0.06 -0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.23 3daq h TYR 221 Cb 0.04 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 3daq h TYR 221 CO -0.05 0.56 -0.17 -0.44 -1.32 0.00 0.00 178.16 176.73 3daq h ASP 222 N 0.59 0.66 0.22 -2.11 3.32 -1.23 -1.45 116.42 116.42 3daq h ASP 222 Ca 0.15 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3daq h ASP 222 Cb 0.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3daq h ASP 222 CO -0.02 0.84 -0.11 0.00 -1.72 0.00 0.00 179.24 178.24 3daq h ALA 223 N 1.22 -0.30 -0.28 3.45 0.00 -0.77 -2.45 119.26 120.12 3daq h ALA 223 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3daq h ALA 223 Cb 0.63 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3daq h ALA 223 CO 0.04 -0.62 -0.13 -0.56 0.00 0.00 0.00 179.25 177.99 3daq h GLN 224 N -0.40 0.48 -0.21 0.00 -0.00 -1.23 -2.04 115.11 111.71 3daq h GLN 224 Ca -0.03 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.46 3daq h GLN 224 Cb 0.31 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.72 3daq h GLN 224 CO 0.05 0.60 0.04 1.96 -0.00 0.00 0.00 178.83 181.48 3daq h GLN 225 N 0.44 0.30 -0.00 0.06 1.08 -1.19 -1.57 115.11 114.23 3daq h GLN 225 Ca 0.08 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3daq h GLN 225 Cb 0.49 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3daq h GLN 225 CO 0.03 0.30 -0.01 -1.13 -0.95 0.00 0.00 178.83 177.06 3daq n SER 226 N -4.40 0.06 0.00 1.46 3.41 -0.81 -4.90 113.62 108.44 3daq n SER 226 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3daq n SER 226 Cb 0.16 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.80 3.78 5.00 0.00 -0.59 -5.09 105.19 110.32 3daq n GLY 227 Ca 0.16 0.00 -0.38 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 4.44 0.10 0.99 1.43 -0.94 -5.00 118.68 119.70 3daq s LEU 228 Ca 0.00 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 3daq s LEU 228 Cb 0.00 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 3daq s LEU 228 CO 0.00 0.04 1.30 -0.62 0.23 0.00 0.00 176.35 177.30 3daq s ASP 229 N -1.46 6.95 -0.03 2.29 -1.08 -1.26 -3.99 116.67 118.09 3daq s ASP 229 Ca 0.45 2.19 0.08 0.00 -0.52 0.00 0.00 52.55 54.74 3daq s ASP 229 Cb -0.20 -2.58 0.20 0.00 -1.46 0.00 0.00 42.92 38.87 3daq s ASP 229 CO 0.25 -0.56 1.16 2.30 0.52 0.00 0.00 175.17 178.84 3daq n ILE 230 N 3.84 1.21 -0.02 4.11 -5.35 -1.26 -4.67 119.36 117.22 3daq n ILE 230 Ca 0.10 -1.20 -0.10 0.00 -0.27 0.00 0.00 62.75 61.28 3daq n ILE 230 Cb 0.44 0.36 -0.04 0.00 -1.74 0.00 0.00 39.64 38.66 3daq n ILE 230 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3daq h GLN 231 N 0.97 0.08 -0.50 6.28 4.20 -1.98 0.10 115.11 124.27 3daq h GLN 231 Ca 0.00 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3daq h GLN 231 Cb 0.73 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3daq h GLN 231 CO 0.02 0.05 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.60 3daq h ASP 232 N 0.08 1.03 -0.44 1.46 3.32 -2.02 -2.72 116.42 117.13 3daq h ASP 232 Ca 0.06 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3daq h ASP 232 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3daq h ASP 232 CO -0.09 1.18 0.21 -0.61 -1.72 0.00 0.00 179.24 178.22 3daq h GLN 233 N 0.87 0.69 -0.03 3.56 4.15 -1.79 -2.54 115.11 120.02 3daq h GLN 233 Ca 0.12 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 3daq h GLN 233 Cb 0.78 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3daq h GLN 233 CO 0.06 0.56 -0.48 0.35 -1.93 0.00 0.00 178.83 177.39 3daq h PHE 234 N 0.69 0.07 -0.62 3.99 3.57 -0.58 -3.38 116.94 120.68 3daq h PHE 234 Ca 0.17 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.75 3daq h PHE 234 Cb 0.11 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 38.72 3daq h PHE 234 CO 0.01 0.53 -0.38 0.87 -2.23 0.00 0.00 178.31 177.10 3daq h LYS 235 N 0.05 -0.17 -0.11 1.11 6.56 -1.15 0.14 116.57 123.00 3daq h LYS 235 Ca -0.00 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 3daq h LYS 235 Cb 0.87 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 3daq h LYS 235 CO 0.07 -0.11 -0.17 -1.00 -2.06 0.00 0.00 179.45 176.17 3daq h PRO 236 N -0.17 0.18 -0.43 3.15 0.13 -1.77 -1.20 132.00 131.89 3daq h PRO 236 Ca 0.22 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 3daq h PRO 236 Cb 0.56 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3daq h PRO 236 CO -0.71 0.36 0.10 0.82 -0.23 0.00 0.00 178.00 178.34 3daq h ILE 237 N 0.17 1.23 -0.95 -3.56 2.04 -1.16 -2.25 117.51 113.04 3daq h ILE 237 Ca 0.03 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.18 3daq h ILE 237 Cb 0.41 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3daq h ILE 237 CO 0.03 0.28 0.61 1.23 0.00 0.00 0.00 178.15 180.30 3daq h GLY 238 N 0.56 1.44 0.98 5.37 0.00 -0.13 0.16 103.07 111.46 3daq h GLY 238 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3daq h GLY 238 CO 0.00 0.23 0.16 -0.84 0.00 0.00 0.00 176.54 176.09 3daq h THR 239 N 1.00 1.24 -0.65 4.70 2.02 -1.00 0.04 112.91 120.24 3daq h THR 239 Ca 0.44 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 3daq h THR 239 Cb 0.36 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3daq h THR 239 CO -0.20 0.30 0.16 0.25 0.37 0.00 0.00 175.52 176.40 3daq h LEU 240 N 0.73 1.00 -1.24 2.58 5.85 -0.71 -2.33 115.31 121.19 3daq h LEU 240 Ca 0.17 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3daq h LEU 240 Cb 0.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3daq h LEU 240 CO -0.00 0.97 0.03 -0.07 -0.34 0.00 0.00 178.44 179.03 3daq h LEU 241 N 0.97 0.52 -0.60 2.25 3.38 -0.39 -0.53 115.31 120.91 3daq h LEU 241 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3daq h LEU 241 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3daq h LEU 241 CO 0.00 0.57 0.30 0.28 0.09 0.00 0.00 178.44 179.68 3daq h SER 242 N 0.54 0.78 -0.75 -0.43 0.02 -0.62 -2.03 113.55 111.06 3daq h SER 242 Ca 0.12 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3daq h SER 242 Cb 0.29 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3daq h SER 242 CO 0.01 0.68 0.38 0.00 -1.14 0.00 0.00 176.83 176.76 3daq h ALA 243 N 1.13 1.23 0.00 3.77 0.00 -0.84 -2.46 119.26 122.09 3daq h ALA 243 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3daq h ALA 243 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3daq h ALA 243 CO -0.03 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 181.01 3daq h LEU 244 N 1.08 0.00 0.00 0.00 5.85 -0.61 -2.96 115.31 118.67 3daq h LEU 244 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3daq h LEU 244 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3daq h LEU 244 CO -0.04 0.06 0.00 -1.54 -0.34 0.00 0.00 178.44 176.59 3daq n SER 245 N -3.32 0.00 0.16 1.25 3.41 -0.81 -3.91 113.62 110.40 3daq n SER 245 Ca -0.01 -0.98 0.18 0.00 -0.26 0.00 0.00 58.87 57.80 3daq n SER 245 Cb 0.23 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 64.97 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 0.00 0.48 -3.29 -3.33 3.04 -1.68 -3.45 116.25 108.02 3daq h VAL 246 Ca 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.59 3daq h VAL 246 Cb 0.00 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 3daq h VAL 246 CO 0.00 0.00 0.15 -0.67 -1.01 0.00 0.00 177.57 176.04 3daq n ASP 247 N -3.85 -2.02 -4.70 3.17 -0.08 -1.25 -5.08 116.55 102.75 3daq n ASP 247 Ca 0.04 -2.68 -0.42 0.00 -1.51 0.00 0.00 54.79 50.22 3daq n ASP 247 Cb 0.43 3.45 -0.03 0.00 2.34 0.00 0.00 41.12 47.30 3daq n ASP 247 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3daq s ILE 248 N -2.32 3.86 0.34 5.18 1.01 -1.26 -4.63 121.20 123.38 3daq s ILE 248 Ca 0.20 1.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.83 3daq s ILE 248 Cb -0.04 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.50 3daq s ILE 248 CO 0.14 0.03 1.37 -3.20 0.00 0.00 0.00 174.94 173.28 3daq n ASN 249 N 4.86 3.08 -1.63 3.58 2.85 -1.26 -0.70 115.26 126.04 3daq n ASN 249 Ca 0.11 1.20 -0.04 0.00 -0.11 0.00 0.00 54.58 55.75 3daq n ASN 249 Cb 0.45 -1.52 0.21 0.00 1.24 0.00 0.00 39.78 40.16 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 0.74 2.92 0.03 1.20 -0.04 -1.26 -4.94 135.00 133.65 3daq n PRO 250 Ca 0.05 -2.14 -0.11 0.00 -0.04 0.00 0.00 63.50 61.26 3daq n PRO 250 Cb 0.36 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.87 0.75 -0.16 0.52 2.04 -1.23 -2.57 117.51 118.74 3daq h ILE 251 Ca 0.19 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.91 3daq h ILE 251 Cb 1.86 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3daq h ILE 251 CO 0.52 0.00 -0.44 -0.65 0.00 0.00 0.00 178.15 177.58 3daq h PRO 252 N -0.14 0.58 -0.37 2.37 0.11 -1.82 -3.30 132.00 129.43 3daq h PRO 252 Ca 0.05 -0.41 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3daq h PRO 252 Cb 0.21 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3daq h PRO 252 CO -0.13 1.03 0.24 0.97 -0.21 0.00 0.00 178.00 179.91 3daq h ILE 253 N 0.23 1.06 0.00 4.15 6.09 -1.86 -0.39 117.51 126.78 3daq h ILE 253 Ca -0.01 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3daq h ILE 253 Cb 1.06 0.58 0.00 0.00 0.47 0.00 0.00 36.82 38.93 3daq h ILE 253 CO 0.09 0.08 0.00 0.11 -3.07 0.00 0.00 178.15 175.36 3daq h LYS 254 N 0.44 0.00 -0.18 2.19 1.57 -1.53 0.08 116.57 119.13 3daq h LYS 254 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3daq h LYS 254 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3daq h LYS 254 CO -0.03 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.81 3daq h ALA 255 N 2.02 1.61 0.13 3.86 0.00 -1.15 -2.31 119.26 123.42 3daq h ALA 255 Ca 0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 3daq h ALA 255 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3daq h ALA 255 CO 0.00 0.29 -1.95 -0.07 0.00 0.00 0.00 179.25 177.52 3daq h LEU 256 N 0.25 0.44 -0.77 0.00 3.38 -1.08 -3.01 115.31 114.53 3daq h LEU 256 Ca 0.06 -0.95 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 3daq h LEU 256 Cb 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3daq h LEU 256 CO 0.01 1.84 0.41 0.71 0.09 0.00 0.00 178.44 181.51 3daq h THR 257 N 0.05 1.23 -0.51 0.22 1.35 -1.18 -1.49 112.91 112.58 3daq h THR 257 Ca -0.41 -0.60 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 3daq h THR 257 Cb 2.03 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 3daq h THR 257 CO 0.10 0.26 0.04 0.77 -0.25 0.00 0.00 175.52 176.44 3daq h SER 258 N 1.07 0.79 -0.37 5.36 4.64 -1.46 -1.52 113.55 122.06 3daq h SER 258 Ca 0.27 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3daq h SER 258 Cb 0.05 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3daq h SER 258 CO -0.04 0.83 0.24 0.22 -0.87 0.00 0.00 176.83 177.21 3daq h TYR 259 N 0.78 0.47 -0.06 4.77 3.20 -1.25 -0.44 116.97 124.44 3daq h TYR 259 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3daq h TYR 259 Cb 0.41 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3daq h TYR 259 CO 0.02 0.30 0.00 1.28 -1.64 0.00 0.00 178.16 178.13 3daq n LEU 260 N -4.48 0.60 0.00 2.82 4.32 -0.62 -4.89 117.00 114.76 3daq n LEU 260 Ca 0.03 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 3daq n LEU 260 Cb 0.06 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3daq n LEU 260 CO 0.35 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 3daq n GLY 261 N 0.90 0.86 3.31 -0.72 0.00 -0.17 -5.04 105.19 104.33 3daq n GLY 261 Ca 0.14 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 3.52 0.17 1.61 0.08 -0.63 -4.95 117.98 115.79 3daq s PHE 262 Ca 0.00 -1.72 0.00 0.00 0.12 0.00 0.00 56.93 55.33 3daq s PHE 262 Cb 0.00 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 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 4.55 -1.82 3.93 4.36 0.00 -1.26 -3.54 105.19 111.40 3daq n GLY 263 Ca 0.01 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.92 5.24 -1.20 1.61 0.01 -0.29 -4.49 114.94 110.90 3daq s ASN 264 Ca 0.00 0.52 -0.18 0.00 -0.71 0.00 0.00 52.86 52.49 3daq s ASN 264 Cb 0.00 -1.37 0.09 0.00 0.41 0.00 0.00 41.25 40.38 3daq s ASN 264 CO 0.00 -1.29 1.58 -0.47 -1.51 0.00 0.00 177.10 175.41 3daq s TYR 265 N -3.06 2.89 -0.03 2.20 5.04 -1.26 -4.58 117.35 118.55 3daq s TYR 265 Ca 0.57 -1.54 0.01 0.00 -2.44 0.00 0.00 57.07 53.66 3daq s TYR 265 Cb -0.11 -4.63 0.02 0.00 0.35 0.00 0.00 41.96 37.59 3daq s TYR 265 CO 0.44 -1.73 -0.03 -2.00 -1.34 0.00 0.00 175.55 170.89 3daq s GLU 266 N 3.77 0.50 0.08 4.97 2.12 -1.26 -4.89 118.70 123.99 3daq s GLU 266 Ca 0.49 -0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.84 3daq s GLU 266 Cb 0.01 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 3daq s GLU 266 CO 0.01 -0.05 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.01 3daq s LEU 267 N 0.67 2.75 -0.02 2.70 2.01 -1.26 -4.74 118.68 120.80 3daq s LEU 267 Ca -0.08 -0.46 -0.18 0.00 0.01 0.00 0.00 54.13 53.43 3daq s LEU 267 Cb -0.11 -1.60 -0.05 0.00 0.01 0.00 0.00 46.19 44.44 3daq s LEU 267 CO -0.01 0.21 0.50 -0.60 1.01 0.00 0.00 176.35 177.46 3daq s ARG 268 N -1.87 4.17 0.34 1.70 3.52 -1.26 -4.74 118.95 120.81 3daq s ARG 268 Ca 0.17 0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 56.05 3daq s ARG 268 Cb -0.11 -3.31 -0.12 0.00 -1.56 0.00 0.00 34.95 29.85 3daq s ARG 268 CO 0.09 0.47 1.26 1.28 -0.81 0.00 0.00 175.30 177.59 3daq n LEU 269 N 2.49 3.40 -0.05 -0.88 4.77 -1.26 -1.66 117.00 123.81 3daq n LEU 269 Ca -0.10 1.20 0.15 0.00 -0.03 0.00 0.00 56.01 57.23 3daq n LEU 269 Cb 0.52 -1.47 0.71 0.00 -2.33 0.00 0.00 43.42 40.85 3daq n LEU 269 CO 0.41 -0.59 0.97 -0.81 -1.33 0.00 0.00 177.39 176.03 3daq n PRO 270 N 0.54 0.59 -1.66 3.23 -0.04 -1.26 -4.92 135.00 131.49 3daq n PRO 270 Ca 0.05 -0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.09 3daq n PRO 270 Cb 0.36 -1.50 0.05 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 -2.48 3.29 0.05 1.53 1.43 -0.66 -5.07 118.68 116.77 3daq s LEU 271 Ca 0.30 1.87 -0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3daq s LEU 271 Cb 0.20 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 3daq s LEU 271 CO 0.46 -1.63 -0.04 0.68 0.23 0.00 0.00 176.35 176.05 3daq s VAL 272 N -2.59 0.29 0.70 -1.59 -7.23 -1.26 -4.35 120.40 104.37 3daq s VAL 272 Ca 0.64 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 59.09 3daq s VAL 272 Cb -0.18 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.56 3daq s VAL 272 CO 0.46 -0.84 1.09 -0.94 -0.31 0.00 0.00 175.10 174.56 3daq s SER 273 N -2.55 5.00 0.77 4.85 1.04 -1.26 -4.80 113.70 116.75 3daq s SER 273 Ca 0.02 1.83 -0.14 0.00 0.48 0.00 0.00 55.95 58.14 3daq s SER 273 Cb 0.03 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.68 3daq s SER 273 CO -0.07 -1.70 1.19 -0.76 0.98 0.00 0.00 173.24 172.89 3daq s LEU 274 N -5.39 3.21 0.74 2.42 1.43 -1.26 -5.02 118.68 114.81 3daq s LEU 274 Ca 0.62 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.93 3daq s LEU 274 Cb -0.17 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.50 3daq s LEU 274 CO 0.50 -2.45 1.08 -1.61 0.23 0.00 0.00 176.35 174.09 3daq s GLU 275 N -4.10 2.58 0.20 1.70 2.02 -1.26 -4.75 118.70 115.09 3daq s GLU 275 Ca 0.73 1.05 -0.15 0.00 0.02 0.00 0.00 54.97 56.62 3daq s GLU 275 Cb -0.28 -1.94 0.19 0.00 0.10 0.00 0.00 34.13 32.20 3daq s GLU 275 CO 0.48 -1.38 1.64 -0.44 0.02 0.00 0.00 175.26 175.58 3daq h ASP 276 N -0.93 -0.56 -0.28 -0.19 3.32 -1.99 -0.54 116.42 115.25 3daq h ASP 276 Ca -0.44 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3daq h ASP 276 Cb 1.22 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 3daq h ASP 276 CO 0.54 -0.20 0.18 0.71 -1.72 0.00 0.00 179.24 178.76 3daq h THR 277 N -0.02 1.07 -0.32 0.35 1.35 -2.00 -0.98 112.91 112.38 3daq h THR 277 Ca 0.27 -0.13 -0.09 0.00 -0.55 0.00 0.00 66.41 65.91 3daq h THR 277 Cb 0.42 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 3daq h THR 277 CO -0.58 0.07 -0.19 0.44 -0.25 0.00 0.00 175.52 175.01 3daq h ASP 278 N 0.38 0.58 -0.48 5.36 3.32 -1.78 -1.76 116.42 122.04 3daq h ASP 278 Ca 0.10 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3daq h ASP 278 Cb -0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3daq h ASP 278 CO -0.02 0.78 0.27 0.74 -1.72 0.00 0.00 179.24 179.29 3daq h THR 279 N 0.52 1.16 -0.31 0.35 2.02 -0.62 -1.60 112.91 114.43 3daq h THR 279 Ca 0.08 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3daq h THR 279 Cb 0.62 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3daq h THR 279 CO 0.04 0.17 0.15 0.50 0.37 0.00 0.00 175.52 176.75 3daq h LYS 280 N 0.63 0.44 -0.84 6.66 3.11 -0.82 -1.16 116.57 124.60 3daq h LYS 280 Ca 0.17 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 3daq h LYS 280 Cb 0.03 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 3daq h LYS 280 CO -0.03 0.41 0.52 0.28 -2.81 0.00 0.00 179.45 177.82 3daq h VAL 281 N 0.36 1.23 -0.28 2.00 2.07 -1.19 0.35 116.25 120.78 3daq h VAL 281 Ca 0.10 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 3daq h VAL 281 Cb 0.12 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3daq h VAL 281 CO -0.01 0.23 -0.25 0.25 0.02 0.00 0.00 177.57 177.81 3daq h LEU 282 N 1.14 0.70 -1.01 2.57 5.85 -1.06 -0.82 115.31 122.69 3daq h LEU 282 Ca 0.30 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3daq h LEU 282 Cb -0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3daq h LEU 282 CO -0.06 1.02 0.27 0.03 -0.34 0.00 0.00 178.44 179.36 3daq h ARG 283 N 0.40 0.98 -0.63 1.25 3.08 -1.01 -1.07 114.38 117.37 3daq h ARG 283 Ca 0.05 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3daq h ARG 283 Cb 0.81 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3daq h ARG 283 CO 0.06 0.79 0.21 0.93 -1.07 0.00 0.00 179.97 180.90 3daq h GLU 284 N 0.96 0.95 -0.67 0.04 5.08 -0.71 -0.06 114.58 120.18 3daq h GLU 284 Ca 0.23 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3daq h GLU 284 Cb 0.18 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3daq h GLU 284 CO -0.02 0.81 0.15 0.00 -1.00 0.00 0.00 179.01 178.95 3daq h ALA 285 N 1.30 1.01 -0.22 3.43 0.00 -0.49 0.15 119.26 124.44 3daq h ALA 285 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3daq h ALA 285 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3daq h ALA 285 CO -0.01 0.64 0.09 -0.92 0.00 0.00 0.00 179.25 179.05 3daq h TYR 286 N 1.01 0.33 -0.98 0.00 5.03 -0.66 -1.19 116.97 120.51 3daq h TYR 286 Ca 0.21 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.50 3daq h TYR 286 Cb 0.37 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.50 3daq h TYR 286 CO 0.03 0.35 0.63 -0.44 -1.32 0.00 0.00 178.16 177.41 3daq h ASP 287 N 0.21 1.14 -0.71 -2.11 3.32 -0.68 -1.27 116.42 116.32 3daq h ASP 287 Ca 0.07 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3daq h ASP 287 Cb 0.16 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3daq h ASP 287 CO -0.01 0.85 0.34 0.74 -1.72 0.00 0.00 179.24 179.44 3daq h THR 288 N 1.33 1.23 -0.18 0.35 2.02 -0.53 0.26 112.91 117.40 3daq h THR 288 Ca 0.36 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3daq h THR 288 Cb -0.12 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3daq h THR 288 CO -0.07 0.28 0.11 0.15 0.37 0.00 0.00 175.52 176.35 3daq h PHE 289 N 1.00 0.24 -0.68 3.16 3.57 -0.57 -2.36 116.94 121.30 3daq h PHE 289 Ca 0.25 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3daq h PHE 289 Cb 0.12 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3daq h PHE 289 CO 0.01 0.19 0.12 0.87 -2.23 0.00 0.00 178.31 177.27 3daq h LYS 290 N 0.21 1.13 -0.64 1.11 1.79 -0.93 -2.53 116.57 116.70 3daq h LYS 290 Ca 0.06 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 3daq h LYS 290 Cb 0.02 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 3daq h LYS 290 CO -0.01 1.02 0.42 0.00 -1.08 0.00 0.00 179.45 179.80 3daq h ALA 291 N 1.06 1.62 0.00 3.86 0.00 -0.81 -2.78 119.26 122.21 3daq h ALA 291 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3daq h ALA 291 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3daq h ALA 291 CO 0.01 0.32 0.00 0.78 0.00 0.00 0.00 179.25 180.36 3daq h GLY 292 N 0.79 0.00 1.00 0.00 0.00 -0.98 -3.51 103.07 100.37 3daq h GLY 292 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3daq h GLY 292 CO -0.07 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.65