#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wiq n GLY 3 N 0.00 4.53 0.13 0.62 0.00 -1.26 -4.98 105.19 104.22 2wiq n GLY 3 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 2wiq n GLY 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wiq h GLY 4 N 1.17 -0.22 0.23 -0.02 0.00 -1.74 -2.83 103.07 99.66 2wiq h GLY 4 Ca -0.00 0.08 0.18 0.00 0.00 0.00 0.00 47.33 47.59 2wiq h GLY 4 CO 0.10 -0.08 0.61 -2.55 0.00 0.00 0.00 176.54 174.63 2wiq h PRO 5 N -0.74 0.72 -0.89 4.80 0.11 -1.90 -1.32 132.00 132.79 2wiq h PRO 5 Ca -0.02 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.12 2wiq h PRO 5 Cb 0.52 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 2wiq h PRO 5 CO 0.04 0.48 0.55 0.00 -0.21 0.00 0.00 178.00 178.85 2wiq h ALA 6 N 1.62 1.24 -0.90 -0.75 0.00 -1.94 -1.87 119.26 116.67 2wiq h ALA 6 Ca 0.54 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.49 2wiq h ALA 6 Cb 0.87 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2wiq h ALA 6 CO -0.32 0.27 0.58 1.25 0.00 0.00 0.00 179.25 181.03 2wiq h LEU 7 N 0.98 0.95 0.00 0.00 5.85 -0.99 -2.04 115.31 120.06 2wiq h LEU 7 Ca 0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2wiq h LEU 7 Cb 0.23 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2wiq h LEU 7 CO -0.19 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.04 2wiq n PHE 8 N -4.53 0.00 0.46 1.25 3.72 -0.71 -2.43 117.46 115.22 2wiq n PHE 8 Ca 0.12 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.64 2wiq n PHE 8 Cb 0.11 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.11 2wiq n PHE 8 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2wiq h GLN 9 N 0.00 0.00 -7.24 -1.08 4.20 -1.29 -3.44 115.11 106.26 2wiq h GLN 9 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 2wiq h GLN 9 Cb 0.00 0.00 0.05 0.00 0.30 0.00 0.00 27.48 27.83 2wiq h GLN 9 CO 0.00 0.00 0.38 -1.12 -0.67 0.00 0.00 178.83 177.42 2wiq s SER 10 N -4.43 6.20 0.25 1.46 0.01 -1.02 -4.70 113.70 111.46 2wiq s SER 10 Ca 0.06 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.64 2wiq s SER 10 Cb 0.10 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 2wiq s SER 10 CO 0.47 -0.88 1.19 -1.81 0.41 0.00 0.00 173.24 172.61 2wiq s ASP 11 N -3.28 7.09 0.28 2.44 1.01 -1.26 -4.04 116.67 118.90 2wiq s ASP 11 Ca 0.59 2.34 0.02 0.00 0.71 0.00 0.00 52.55 56.22 2wiq s ASP 11 Cb -0.12 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 2wiq s ASP 11 CO 0.40 -0.32 0.07 -0.04 0.21 0.00 0.00 175.17 175.48 2wiq s MET 12 N -0.95 1.48 0.30 8.23 -1.94 0.37 -4.95 119.30 121.85 2wiq s MET 12 Ca 0.49 -1.80 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 2wiq s MET 12 Cb -0.34 -0.53 -0.06 0.00 2.01 0.00 0.00 34.83 35.91 2wiq s MET 12 CO 0.41 -0.23 0.05 0.95 -0.01 0.00 0.00 175.02 176.19 2wiq s THR 13 N -3.54 1.14 0.05 2.05 -4.23 -0.06 -0.06 115.64 110.98 2wiq s THR 13 Ca 0.36 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 2wiq s THR 13 Cb 0.08 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2wiq s THR 13 CO 0.14 -0.05 0.32 0.72 -0.54 0.00 0.00 174.62 175.20 2wiq s PHE 14 N -3.34 -0.12 -0.03 3.99 -0.71 -0.17 -0.90 117.98 116.70 2wiq s PHE 14 Ca 0.35 -0.01 -0.02 0.00 -1.04 0.00 0.00 56.93 56.21 2wiq s PHE 14 Cb 0.08 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 42.01 2wiq s PHE 14 CO 0.14 -0.51 0.07 0.21 -1.34 0.00 0.00 175.22 173.79 2wiq s LYS 15 N -2.58 0.07 -0.05 1.99 2.20 -0.31 -1.58 119.74 119.48 2wiq s LYS 15 Ca -0.05 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 2wiq s LYS 15 Cb -0.01 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.34 2wiq s LYS 15 CO -0.03 -0.03 -0.07 0.42 -0.36 0.00 0.00 175.35 175.27 2wiq s ILE 16 N 0.18 0.77 -0.23 5.43 1.01 -0.15 -0.78 121.20 127.43 2wiq s ILE 16 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 2wiq s ILE 16 Cb -0.02 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.72 2wiq s ILE 16 CO -0.01 0.28 -0.10 -0.36 0.00 0.00 0.00 174.94 174.75 2wiq s PHE 17 N 0.82 2.98 -0.22 3.97 0.08 0.16 -1.49 117.98 124.29 2wiq s PHE 17 Ca -0.12 -1.51 -0.04 0.00 0.12 0.00 0.00 56.93 55.38 2wiq s PHE 17 Cb -0.15 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2wiq s PHE 17 CO 0.01 -0.72 -0.05 0.42 -0.10 0.00 0.00 175.22 174.78 2wiq s ILE 18 N 1.33 3.31 -0.38 0.64 1.01 0.08 -0.89 121.20 126.31 2wiq s ILE 18 Ca 0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 2wiq s ILE 18 Cb -0.15 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.83 2wiq s ILE 18 CO -0.06 0.43 0.24 -0.62 0.00 0.00 0.00 174.94 174.93 2wiq s ASP 19 N 1.45 5.89 0.21 3.58 2.15 0.05 -1.81 116.67 128.19 2wiq s ASP 19 Ca 0.05 -0.89 0.06 0.00 0.43 0.00 0.00 52.55 52.20 2wiq s ASP 19 Cb -0.14 -2.08 -0.05 0.00 -0.30 0.00 0.00 42.92 40.35 2wiq s ASP 19 CO -0.04 -0.39 -0.09 -0.83 -0.17 0.00 0.00 175.17 173.65 2wiq s GLY 20 N 1.62 1.46 -0.04 2.66 0.00 0.14 -1.15 107.32 112.02 2wiq s GLY 20 Ca 0.04 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 43.01 2wiq s GLY 20 CO 0.08 -1.73 0.13 -1.83 0.00 0.00 0.00 173.10 169.76 2wiq s GLU 21 N -3.72 0.25 -0.14 2.90 4.04 -0.84 -0.15 118.70 121.04 2wiq s GLU 21 Ca 0.24 0.01 0.02 0.00 0.04 0.00 0.00 54.97 55.28 2wiq s GLU 21 Cb 0.02 0.11 0.02 0.00 0.02 0.00 0.00 34.13 34.30 2wiq s GLU 21 CO 0.07 -0.05 -0.18 0.54 -1.84 0.00 0.00 175.26 173.80 2wiq s VAL 22 N -0.36 1.82 -1.22 1.83 0.11 -0.20 0.07 120.40 122.44 2wiq s VAL 22 Ca -0.04 -0.82 -0.08 0.00 -2.93 0.00 0.00 61.98 58.10 2wiq s VAL 22 Cb -0.03 -1.64 0.07 0.00 -1.53 0.00 0.00 36.38 33.25 2wiq s VAL 22 CO 0.00 0.50 0.42 0.59 -3.33 0.00 0.00 175.10 173.29 2wiq n ASN 23 N 4.32 -3.56 0.00 3.54 3.02 -0.45 -0.79 115.26 121.34 2wiq n ASN 23 Ca -0.19 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2wiq n ASN 23 Cb 0.51 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 2wiq n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wiq n GLY 24 N -1.10 1.06 3.60 7.41 0.00 -1.26 -5.04 105.19 109.86 2wiq n GLY 24 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2wiq n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wiq s GLN 25 N -0.60 3.95 0.32 1.61 -0.21 0.03 -5.07 119.66 119.69 2wiq s GLN 25 Ca 0.00 0.23 -0.27 0.00 0.02 0.00 0.00 55.36 55.33 2wiq s GLN 25 Cb 0.00 -3.70 -0.09 0.00 1.00 0.00 0.00 33.01 30.22 2wiq s GLN 25 CO 0.00 -0.45 1.06 0.15 -2.12 0.00 0.00 175.29 173.93 2wiq s LYS 26 N 2.39 4.48 0.04 2.91 1.02 -1.26 -1.04 119.74 128.28 2wiq s LYS 26 Ca 0.22 1.66 -0.01 0.00 0.02 0.00 0.00 55.97 57.86 2wiq s LYS 26 Cb -0.15 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2wiq s LYS 26 CO 0.10 0.11 -0.02 -0.59 -0.92 0.00 0.00 175.35 174.04 2wiq s PHE 27 N -1.35 0.39 -0.04 3.18 -0.12 0.79 -4.93 117.98 115.90 2wiq s PHE 27 Ca 0.49 -0.80 0.02 0.00 -0.05 0.00 0.00 56.93 56.59 2wiq s PHE 27 Cb -0.28 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 41.84 2wiq s PHE 27 CO 0.35 -0.31 -0.08 0.99 -0.05 0.00 0.00 175.22 176.12 2wiq s THR 28 N -2.84 0.76 -0.08 -4.49 2.01 -1.26 -0.68 115.64 109.05 2wiq s THR 28 Ca -0.03 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2wiq s THR 28 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.82 2wiq s THR 28 CO -0.06 0.25 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.30 2wiq s ILE 29 N 0.45 1.64 -0.11 1.82 1.01 -0.75 -0.30 121.20 124.97 2wiq s ILE 29 Ca -0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2wiq s ILE 29 Cb -0.11 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2wiq s ILE 29 CO 0.01 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 2wiq s VAL 30 N 0.41 3.40 0.09 2.92 1.01 -0.62 -0.74 120.40 126.86 2wiq s VAL 30 Ca -0.15 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2wiq s VAL 30 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2wiq s VAL 30 CO 0.06 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.61 2wiq s ALA 31 N -0.12 1.00 0.13 5.51 0.00 -0.55 -0.20 121.76 127.52 2wiq s ALA 31 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 2wiq s ALA 31 Cb -0.13 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2wiq s ALA 31 CO 0.03 -0.05 0.49 0.16 0.00 0.00 0.00 175.76 176.39 2wiq s ASP 32 N -2.34 -0.38 0.00 0.00 1.47 -0.35 -0.98 116.67 114.09 2wiq s ASP 32 Ca 0.03 -0.14 -0.01 0.00 1.18 0.00 0.00 52.55 53.61 2wiq s ASP 32 Cb -0.03 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.07 2wiq s ASP 32 CO -0.00 -0.88 0.05 0.61 0.68 0.00 0.00 175.17 175.63 2wiq n GLY 33 N -0.20 0.72 3.26 2.12 0.00 -0.61 -1.46 105.19 109.03 2wiq n GLY 33 Ca -0.17 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 2wiq n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wiq s SER 34 N -1.12 2.23 -0.16 1.61 0.01 -1.26 -1.00 113.70 114.01 2wiq s SER 34 Ca 0.01 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 2wiq s SER 34 Cb -0.00 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.21 2wiq s SER 34 CO 0.00 -0.06 0.28 -0.55 0.41 0.00 0.00 173.24 173.32 2wiq s SER 35 N -2.25 0.53 0.20 2.44 0.15 0.91 -4.36 113.70 111.32 2wiq s SER 35 Ca 0.08 0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.84 2wiq s SER 35 Cb -0.07 0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 64.88 2wiq s SER 35 CO 0.04 -0.27 0.87 -0.54 1.20 0.00 0.00 173.24 174.55 2wiq s LYS 36 N 2.43 4.73 0.28 5.44 1.02 -1.26 -0.47 119.74 131.90 2wiq s LYS 36 Ca 0.04 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.09 2wiq s LYS 36 Cb -0.13 -3.28 -0.14 0.00 -0.52 0.00 0.00 37.83 33.75 2wiq s LYS 36 CO -0.10 0.51 1.08 0.34 -0.92 0.00 0.00 175.35 176.26 2wiq n PHE 37 N 1.68 1.44 0.96 3.18 7.35 -1.26 -0.51 117.46 130.30 2wiq n PHE 37 Ca -0.03 0.67 0.04 0.00 -0.76 0.00 0.00 57.45 57.37 2wiq n PHE 37 Cb 0.48 -2.28 0.13 0.00 0.35 0.00 0.00 39.48 38.15 2wiq n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2wiq n PRO 38 N 0.90 1.80 0.00 -7.13 -0.04 -1.26 -5.00 135.00 124.27 2wiq n PRO 38 Ca 0.10 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2wiq n PRO 38 Cb 0.32 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2wiq n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wiq n HIS 39 N 0.30 -0.41 -0.71 0.54 8.25 0.33 -4.65 115.22 118.86 2wiq n HIS 39 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2wiq n HIS 39 Cb 0.31 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2wiq n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wiq n GLY 40 N 0.00 1.04 3.15 -1.41 0.00 0.23 -4.74 105.19 103.46 2wiq n GLY 40 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2wiq n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wiq s ASP 41 N -2.90 -1.43 0.13 1.61 -1.08 -1.25 -1.48 116.67 110.27 2wiq s ASP 41 Ca 0.00 0.43 -0.16 0.00 -0.52 0.00 0.00 52.55 52.30 2wiq s ASP 41 Cb 0.00 2.01 0.03 0.00 -1.46 0.00 0.00 42.92 43.51 2wiq s ASP 41 CO 0.00 -0.26 0.42 0.72 0.52 0.00 0.00 175.17 176.56 2wiq s PHE 42 N 2.85 -0.20 0.21 -5.34 -0.12 -0.86 -4.89 117.98 109.64 2wiq s PHE 42 Ca 0.14 -0.12 0.08 0.00 -0.05 0.00 0.00 56.93 56.98 2wiq s PHE 42 Cb -0.11 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 2wiq s PHE 42 CO -0.23 -0.72 0.03 -0.80 -0.05 0.00 0.00 175.22 173.44 2wiq s ASN 43 N -2.81 4.82 -0.01 1.98 0.01 -1.26 -1.70 114.94 115.96 2wiq s ASN 43 Ca 0.04 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 2wiq s ASN 43 Cb 0.02 -1.03 -0.00 0.00 0.41 0.00 0.00 41.25 40.64 2wiq s ASN 43 CO -0.11 0.05 -0.08 0.54 -1.51 0.00 0.00 177.10 175.98 2wiq s VAL 44 N -1.95 0.69 -0.31 1.60 0.11 0.16 -4.23 120.40 116.47 2wiq s VAL 44 Ca 0.29 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2wiq s VAL 44 Cb -0.08 -0.59 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2wiq s VAL 44 CO 0.20 0.20 0.14 -2.28 -3.33 0.00 0.00 175.10 170.03 2wiq s HIS 45 N -0.07 3.17 -0.06 1.54 2.46 -0.53 -1.32 115.29 120.48 2wiq s HIS 45 Ca 0.01 -0.63 0.06 0.00 0.47 0.00 0.00 55.06 54.97 2wiq s HIS 45 Cb -0.05 -2.34 -0.01 0.00 -0.13 0.00 0.00 32.58 30.05 2wiq s HIS 45 CO -0.00 -0.47 -0.24 0.00 -2.47 0.00 0.00 174.74 171.56 2wiq s ALA 46 N 1.60 2.22 -0.06 1.58 0.00 -0.68 -1.21 121.76 125.21 2wiq s ALA 46 Ca 0.04 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2wiq s ALA 46 Cb -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2wiq s ALA 46 CO 0.06 0.43 -0.16 0.08 0.00 0.00 0.00 175.76 176.17 2wiq s VAL 47 N -0.24 1.41 -0.42 0.00 1.01 0.72 -1.30 120.40 121.59 2wiq s VAL 47 Ca -0.01 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2wiq s VAL 47 Cb -0.13 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2wiq s VAL 47 CO 0.03 0.41 0.98 0.00 0.00 0.00 0.00 175.10 176.52 2wiq n GLU 49 N 7.13 0.13 -1.09 0.00 2.13 0.59 -3.46 120.64 126.06 2wiq n GLU 49 Ca 0.08 0.24 -0.15 0.00 0.66 0.00 0.00 57.16 57.98 2wiq n GLU 49 Cb 0.48 -1.69 0.22 0.00 0.27 0.00 0.00 31.44 30.72 2wiq n GLU 49 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2wiq n THR 50 N -1.92 3.02 0.00 6.31 -2.24 -1.24 -4.95 114.28 113.25 2wiq n THR 50 Ca 0.04 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 2wiq n THR 50 Cb 0.29 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2wiq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wiq n GLY 51 N -0.86 1.62 2.90 3.38 0.00 -1.22 -4.84 105.19 106.16 2wiq n GLY 51 Ca 0.50 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2wiq n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wiq s LYS 52 N 0.00 0.92 0.14 1.61 2.20 -1.26 -4.23 119.74 119.12 2wiq s LYS 52 Ca 0.00 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.18 2wiq s LYS 52 Cb 0.00 -0.93 -0.08 0.00 -1.51 0.00 0.00 37.83 35.31 2wiq s LYS 52 CO 0.00 -0.09 1.39 -1.17 -0.36 0.00 0.00 175.35 175.12 2wiq s LEU 53 N 1.00 4.38 0.00 5.43 0.20 -1.26 -4.89 118.68 123.53 2wiq s LEU 53 Ca -0.10 2.37 0.19 0.00 0.69 0.00 0.00 54.13 57.28 2wiq s LEU 53 Cb -0.14 -3.59 1.12 0.00 -0.43 0.00 0.00 46.19 43.15 2wiq s LEU 53 CO -0.00 -0.65 1.60 -0.81 -0.29 0.00 0.00 176.35 176.20 2wiq n PRO 54 N 3.68 0.81 -4.14 0.98 -0.04 -1.26 -4.82 135.00 130.21 2wiq n PRO 54 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 2wiq n PRO 54 Cb 0.42 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2wiq n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wiq s MET 55 N -2.00 1.60 0.33 0.54 0.23 -1.26 -4.84 119.30 113.90 2wiq s MET 55 Ca 0.28 -1.66 -0.28 0.00 -1.03 0.00 0.00 55.69 53.00 2wiq s MET 55 Cb 0.13 0.38 -0.13 0.00 -1.53 0.00 0.00 34.83 33.68 2wiq s MET 55 CO 0.22 -0.62 1.22 0.45 -2.03 0.00 0.00 175.02 174.25 2wiq n SER 56 N -0.89 2.37 0.16 -1.18 2.88 -0.00 -4.88 113.62 112.09 2wiq n SER 56 Ca 0.02 1.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 2wiq n SER 56 Cb 0.63 -1.43 0.50 0.00 -0.75 0.00 0.00 64.21 63.16 2wiq n SER 56 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2wiq h TRP 57 N 2.41 0.00 0.13 0.66 4.06 -1.95 -3.35 115.95 117.92 2wiq h TRP 57 Ca -0.44 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.50 2wiq h TRP 57 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 2wiq h TRP 57 CO 0.50 0.00 -0.06 0.87 -3.56 0.00 0.00 178.44 176.19 2wiq h LYS 58 N 0.00 -0.17 0.00 0.49 6.56 -1.92 -2.24 116.57 119.30 2wiq h LYS 58 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2wiq h LYS 58 Cb 0.49 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2wiq h LYS 58 CO 0.00 -0.09 0.00 -2.30 -2.06 0.00 0.00 179.45 175.00 2wiq n PRO 59 N -5.16 0.08 0.05 3.15 -0.02 -1.25 -1.74 135.00 130.10 2wiq n PRO 59 Ca -0.08 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2wiq n PRO 59 Cb 0.10 -1.50 0.51 0.00 -0.02 0.00 0.00 33.50 32.59 2wiq n PRO 59 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wiq n ILE 60 N -1.37 0.27 -0.35 4.25 2.08 -0.84 -4.25 119.36 119.15 2wiq n ILE 60 Ca 0.03 -0.13 0.10 0.00 0.56 0.00 0.00 62.75 63.31 2wiq n ILE 60 Cb 0.09 -0.51 0.29 0.00 -0.75 0.00 0.00 39.64 38.76 2wiq n ILE 60 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wiq n HIS 62 N -4.68 0.32 0.06 0.00 1.44 -1.26 -3.25 115.22 107.86 2wiq n HIS 62 Ca 0.21 0.09 -0.21 0.00 -2.01 0.00 0.00 57.72 55.80 2wiq n HIS 62 Cb 0.47 -0.63 -0.15 0.00 0.12 0.00 0.00 29.99 29.81 2wiq n HIS 62 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wiq h LEU 63 N 0.00 0.54 -5.67 2.39 4.07 -1.17 -3.45 115.31 112.03 2wiq h LEU 63 Ca 0.00 -0.82 -0.74 0.00 0.08 0.00 0.00 57.88 56.40 2wiq h LEU 63 Cb 0.59 -0.18 -0.12 0.00 1.08 0.00 0.00 40.66 42.03 2wiq h LEU 63 CO 0.00 1.70 2.43 2.30 -1.08 0.00 0.00 178.44 183.78 2wiq n ILE 64 N -3.54 5.19 0.00 1.22 -5.35 -0.92 -5.09 119.36 110.87 2wiq n ILE 64 Ca -0.23 -4.30 0.00 0.00 -0.27 0.00 0.00 62.75 57.95 2wiq n ILE 64 Cb 1.07 -2.10 0.00 0.00 -1.74 0.00 0.00 39.64 36.87 2wiq n ILE 64 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wiq n GLU 68 N 1.85 0.00 0.27 6.28 -0.58 -1.26 -4.95 120.64 122.25 2wiq n GLU 68 Ca 0.62 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.48 2wiq n GLU 68 Cb 0.25 0.00 0.77 0.00 -0.57 0.00 0.00 31.44 31.89 2wiq n GLU 68 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wiq h PRO 69 N 0.00 0.00 0.00 3.49 0.13 -1.99 -0.79 132.00 132.84 2wiq h PRO 69 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wiq h PRO 69 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wiq h PRO 69 CO 0.00 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 179.74 2wiq n PHE 70 N -4.20 0.57 1.14 1.56 -1.74 -1.26 -2.24 117.46 111.29 2wiq n PHE 70 Ca -0.02 0.24 0.13 0.00 -0.56 0.00 0.00 57.45 57.23 2wiq n PHE 70 Cb 0.11 -0.89 0.30 0.00 1.52 0.00 0.00 39.48 40.52 2wiq n PHE 70 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2wiq n PHE 71 N -2.04 0.07 -1.92 2.97 3.72 -0.30 -4.77 117.46 115.18 2wiq n PHE 71 Ca 0.02 -0.03 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 2wiq n PHE 71 Cb 0.17 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.73 2wiq n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wiq s ALA 72 N -1.93 2.91 -0.27 4.37 0.00 -0.95 0.74 121.76 126.63 2wiq s ALA 72 Ca 0.33 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 2wiq s ALA 72 Cb 0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2wiq s ALA 72 CO 0.31 -1.15 0.53 0.50 0.00 0.00 0.00 175.76 175.95 2wiq s ARG 73 N -2.78 4.04 -0.13 0.00 3.52 -0.56 -4.53 118.95 118.50 2wiq s ARG 73 Ca 0.68 0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 56.56 2wiq s ARG 73 Cb -0.37 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 2wiq s ARG 73 CO 0.45 -0.38 -0.03 0.71 -0.81 0.00 0.00 175.30 175.24 2wiq s TYR 74 N 2.34 3.06 1.05 5.12 1.51 -1.26 -0.83 117.35 128.34 2wiq s TYR 74 Ca 0.22 -0.14 -0.14 0.00 -1.01 0.00 0.00 57.07 55.99 2wiq s TYR 74 Cb -0.16 -1.91 0.21 0.00 -0.11 0.00 0.00 41.96 40.00 2wiq s TYR 74 CO 0.09 0.12 1.11 -1.25 -1.11 0.00 0.00 175.55 174.51 2wiq s PRO 75 N -0.01 0.03 0.21 -1.71 0.04 -1.26 -4.97 135.00 127.33 2wiq s PRO 75 Ca 0.01 0.31 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 2wiq s PRO 75 Cb -0.13 -1.71 0.16 0.00 0.04 0.00 0.00 34.50 32.86 2wiq s PRO 75 CO 0.02 -2.95 1.68 -0.44 0.04 0.00 0.00 177.00 175.36 2wiq h ASP 76 N -2.05 0.95 -0.17 6.66 3.32 -2.00 -3.14 116.42 120.00 2wiq h ASP 76 Ca -0.52 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.27 2wiq h ASP 76 Cb 1.32 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2wiq h ASP 76 CO 0.52 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.66 2wiq n GLY 77 N -0.50 -0.08 3.14 2.75 0.00 -1.26 -4.71 105.19 104.53 2wiq n GLY 77 Ca 0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2wiq n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wiq s ILE 78 N -1.75 1.83 0.21 -0.61 1.01 -1.19 -5.08 121.20 115.62 2wiq s ILE 78 Ca 0.11 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 2wiq s ILE 78 Cb 0.06 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.82 2wiq s ILE 78 CO 0.08 0.51 1.37 -0.44 0.00 0.00 0.00 174.94 176.46 2wiq s SER 79 N 0.71 6.79 -0.98 3.58 0.01 -1.26 -4.72 113.70 117.83 2wiq s SER 79 Ca -0.11 2.49 -0.13 0.00 1.31 0.00 0.00 55.95 59.51 2wiq s SER 79 Cb -0.16 -2.61 0.22 0.00 0.21 0.00 0.00 66.02 63.68 2wiq s SER 79 CO 0.02 -0.61 1.00 -2.28 0.41 0.00 0.00 173.24 171.77 2wiq s HIS 80 N 0.21 3.84 0.22 2.43 2.46 -1.26 -4.61 115.29 118.58 2wiq s HIS 80 Ca 0.59 -2.17 -0.13 0.00 0.47 0.00 0.00 55.06 53.82 2wiq s HIS 80 Cb -0.39 -3.93 0.28 0.00 -0.13 0.00 0.00 32.58 28.41 2wiq s HIS 80 CO 0.39 -1.08 1.61 0.35 -2.47 0.00 0.00 174.74 173.54 2wiq h PHE 81 N 7.46 -0.39 -0.88 3.88 3.04 -1.92 -1.71 116.94 126.43 2wiq h PHE 81 Ca 0.16 0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.21 2wiq h PHE 81 Cb 0.96 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.70 2wiq h PHE 81 CO 0.97 -0.31 0.56 0.00 -2.02 0.00 0.00 178.31 177.51 2wiq h ALA 82 N 1.69 1.16 -0.36 2.41 0.00 -1.91 -1.66 119.26 120.59 2wiq h ALA 82 Ca 0.34 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2wiq h ALA 82 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wiq h ALA 82 CO -0.73 0.40 -0.29 1.96 0.00 0.00 0.00 179.25 180.60 2wiq h GLN 83 N 1.09 0.83 -0.10 0.00 4.20 -1.75 -3.15 115.11 116.23 2wiq h GLN 83 Ca 0.35 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2wiq h GLN 83 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2wiq h GLN 83 CO -0.12 1.05 0.11 0.93 -0.67 0.00 0.00 178.83 180.12 2wiq h GLU 84 N 0.62 0.00 0.00 1.46 5.08 -0.45 -2.58 114.58 118.72 2wiq h GLU 84 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wiq h GLU 84 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2wiq h GLU 84 CO 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2wiq s PHE 86 N -3.39 3.49 -1.04 0.00 0.08 -0.97 -0.16 117.98 115.99 2wiq s PHE 86 Ca 0.01 0.38 0.29 0.00 0.12 0.00 0.00 56.93 57.73 2wiq s PHE 86 Cb 0.08 -1.87 1.17 0.00 -0.57 0.00 0.00 43.02 41.83 2wiq s PHE 86 CO 0.29 0.45 1.88 -0.35 -0.10 0.00 0.00 175.22 177.38 2wiq n PRO 87 N -0.21 0.04 -0.29 0.24 -0.04 -1.26 -3.73 135.00 129.74 2wiq n PRO 87 Ca -0.04 -0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 2wiq n PRO 87 Cb 0.53 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 2wiq n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wiq h GLU 88 N 0.01 1.01 0.00 0.54 3.07 -1.89 -3.42 114.58 113.90 2wiq h GLU 88 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2wiq h GLU 88 Cb 0.48 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2wiq h GLU 88 CO 0.00 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 178.69 2wiq n GLY 89 N -1.32 -0.65 3.26 -3.84 0.00 0.78 -4.87 105.19 98.54 2wiq n GLY 89 Ca 0.09 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 2wiq n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wiq s LEU 90 N 0.00 0.82 0.28 0.99 2.34 -1.22 -2.80 118.68 119.09 2wiq s LEU 90 Ca 0.00 -0.15 0.10 0.00 0.06 0.00 0.00 54.13 54.13 2wiq s LEU 90 Cb 0.00 1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 46.98 2wiq s LEU 90 CO 0.00 -0.61 -0.02 -0.44 -1.06 0.00 0.00 176.35 174.22 2wiq s SER 91 N -2.02 4.42 -0.03 1.48 0.01 -0.54 -1.90 113.70 115.12 2wiq s SER 91 Ca -0.05 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.52 2wiq s SER 91 Cb -0.01 -0.75 -0.00 0.00 0.21 0.00 0.00 66.02 65.46 2wiq s SER 91 CO -0.03 -0.03 -0.12 -0.63 0.41 0.00 0.00 173.24 172.85 2wiq s ILE 92 N -2.37 0.98 -0.12 1.44 1.01 0.37 -1.23 121.20 121.29 2wiq s ILE 92 Ca 0.32 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2wiq s ILE 92 Cb -0.06 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.58 2wiq s ILE 92 CO 0.19 0.29 -0.13 -1.81 0.00 0.00 0.00 174.94 173.49 2wiq s ASP 93 N 0.03 2.42 0.00 3.58 1.01 -0.41 -0.40 116.67 122.92 2wiq s ASP 93 Ca -0.01 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 52.85 2wiq s ASP 93 Cb -0.08 -1.04 -0.01 0.00 1.01 0.00 0.00 42.92 42.80 2wiq s ASP 93 CO 0.01 -0.05 -0.05 -0.60 0.21 0.00 0.00 175.17 174.69 2wiq s ARG 94 N 1.35 0.40 -0.07 8.23 3.52 -0.68 -0.44 118.95 131.26 2wiq s ARG 94 Ca 0.00 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.34 2wiq s ARG 94 Cb -0.14 -0.35 0.02 0.00 -1.56 0.00 0.00 34.95 32.93 2wiq s ARG 94 CO -0.07 0.09 -0.03 -0.08 -0.81 0.00 0.00 175.30 174.40 2wiq s THR 95 N -0.31 0.56 -0.34 4.11 -1.32 0.08 -0.92 115.64 117.50 2wiq s THR 95 Ca -0.00 -0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.35 2wiq s THR 95 Cb -0.03 -0.64 0.03 0.00 -1.51 0.00 0.00 72.50 70.36 2wiq s THR 95 CO -0.00 0.27 0.12 -0.69 -2.21 0.00 0.00 174.62 172.11 2wiq s VAL 96 N 1.49 3.94 -0.32 5.08 1.01 0.01 -1.53 120.40 130.08 2wiq s VAL 96 Ca -0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2wiq s VAL 96 Cb -0.13 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2wiq s VAL 96 CO -0.03 -0.17 0.18 -0.60 0.00 0.00 0.00 175.10 174.47 2wiq s ARG 97 N 1.44 3.41 -0.04 2.72 3.52 -0.34 -0.91 118.95 128.74 2wiq s ARG 97 Ca -0.01 -0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 54.71 2wiq s ARG 97 Cb -0.19 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 2wiq s ARG 97 CO 0.03 -0.41 0.57 -0.06 -0.81 0.00 0.00 175.30 174.62 2wiq s PHE 98 N 1.65 3.63 0.23 5.12 0.40 -0.78 0.19 117.98 128.42 2wiq s PHE 98 Ca 0.05 1.12 -0.31 0.00 -0.60 0.00 0.00 56.93 57.19 2wiq s PHE 98 Cb -0.17 -2.61 -0.11 0.00 0.51 0.00 0.00 43.02 40.64 2wiq s PHE 98 CO 0.08 0.28 1.58 -1.21 0.70 0.00 0.00 175.22 176.65 2wiq s GLU 99 N 0.12 4.17 -1.53 0.44 2.02 -0.23 -1.68 118.70 122.02 2wiq s GLU 99 Ca 0.30 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.77 2wiq s GLU 99 Cb -0.17 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2wiq s GLU 99 CO 0.15 -0.61 0.00 -1.71 0.02 0.00 0.00 175.26 173.11 2wiq n ASN 100 N 3.05 -5.17 -0.29 -0.19 5.15 -1.26 -4.79 115.26 111.76 2wiq n ASN 100 Ca 0.11 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 2wiq n ASN 100 Cb 0.38 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.29 2wiq n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2wiq n ASP 101 N -1.92 0.00 -3.53 1.20 4.64 -0.67 -4.87 116.55 111.40 2wiq n ASP 101 Ca -0.21 -0.29 -0.21 0.00 -1.38 0.00 0.00 54.79 52.70 2wiq n ASP 101 Cb 0.66 0.00 0.14 0.00 -1.04 0.00 0.00 41.12 40.88 2wiq n ASP 101 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wiq n GLY 102 N 0.00 -1.00 3.10 0.27 0.00 -1.13 -4.60 105.19 101.82 2wiq n GLY 102 Ca 0.00 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 2wiq n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wiq s THR 103 N -3.01 1.37 -0.24 2.61 2.01 -0.21 -1.87 115.64 116.30 2wiq s THR 103 Ca 0.55 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2wiq s THR 103 Cb -0.02 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2wiq s THR 103 CO 0.38 0.40 0.23 -0.04 -0.69 0.00 0.00 174.62 174.90 2wiq s MET 104 N 0.35 4.06 -0.14 4.92 -1.94 -0.08 -1.45 119.30 125.02 2wiq s MET 104 Ca -0.10 -0.17 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 2wiq s MET 104 Cb -0.14 -3.57 0.01 0.00 2.01 0.00 0.00 34.83 33.14 2wiq s MET 104 CO 0.04 -0.03 -0.22 0.99 -0.01 0.00 0.00 175.02 175.79 2wiq s THR 105 N 1.31 2.09 0.13 2.05 2.01 0.42 -0.81 115.64 122.83 2wiq s THR 105 Ca 0.10 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.18 2wiq s THR 105 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2wiq s THR 105 CO 0.07 0.55 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.47 2wiq s SER 106 N 0.75 1.96 -0.08 3.53 1.04 -0.09 -0.49 113.70 120.32 2wiq s SER 106 Ca -0.08 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.52 2wiq s SER 106 Cb -0.16 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.92 2wiq s SER 106 CO -0.01 -0.18 -0.11 -2.28 0.98 0.00 0.00 173.24 171.65 2wiq s HIS 107 N -2.34 1.50 -0.05 5.02 2.46 -0.64 -1.68 115.29 119.56 2wiq s HIS 107 Ca 0.10 -0.63 0.05 0.00 0.47 0.00 0.00 55.06 55.06 2wiq s HIS 107 Cb -0.04 -1.14 -0.01 0.00 -0.13 0.00 0.00 32.58 31.26 2wiq s HIS 107 CO 0.03 -0.36 -0.21 -1.01 -2.47 0.00 0.00 174.74 170.71 2wiq s HIS 108 N 1.00 2.05 -0.01 3.88 3.76 0.47 -1.46 115.29 124.99 2wiq s HIS 108 Ca -0.08 -0.59 0.06 0.00 -0.15 0.00 0.00 55.06 54.30 2wiq s HIS 108 Cb -0.15 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 2wiq s HIS 108 CO -0.00 -0.18 -0.18 0.95 -0.85 0.00 0.00 174.74 174.47 2wiq s THR 109 N -0.08 1.44 -0.08 1.30 -4.23 -0.09 -0.48 115.64 113.43 2wiq s THR 109 Ca -0.03 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 2wiq s THR 109 Cb -0.12 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2wiq s THR 109 CO 0.03 0.37 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.01 2wiq s TYR 110 N -0.48 1.81 0.10 3.99 2.02 -0.80 -1.67 117.35 122.32 2wiq s TYR 110 Ca 0.07 -0.72 0.08 0.00 -0.37 0.00 0.00 57.07 56.13 2wiq s TYR 110 Cb -0.07 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2wiq s TYR 110 CO -0.00 -0.34 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.21 2wiq s GLU 111 N 0.63 1.17 -0.29 -0.62 0.41 -0.25 -3.40 118.70 116.35 2wiq s GLU 111 Ca -0.15 -1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 53.15 2wiq s GLU 111 Cb -0.16 -1.44 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 2wiq s GLU 111 CO 0.04 0.34 0.19 -1.17 -0.49 0.00 0.00 175.26 174.17 2wiq s LEU 112 N -1.84 4.11 -0.67 1.80 0.20 -1.26 -1.01 118.68 120.00 2wiq s LEU 112 Ca 0.07 -0.15 -0.06 0.00 0.69 0.00 0.00 54.13 54.68 2wiq s LEU 112 Cb -0.10 -2.10 0.17 0.00 -0.43 0.00 0.00 46.19 43.73 2wiq s LEU 112 CO 0.04 -0.10 0.52 -0.62 -0.29 0.00 0.00 176.35 175.90 2wiq s ASP 113 N 1.73 5.63 0.31 3.68 2.15 0.12 -4.96 116.67 125.32 2wiq s ASP 113 Ca 0.07 -2.79 0.00 0.00 0.43 0.00 0.00 52.55 50.26 2wiq s ASP 113 Cb -0.16 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 2wiq s ASP 113 CO 0.10 -0.43 0.00 -0.67 -0.17 0.00 0.00 175.17 174.00 2wiq n ASP 114 N 3.65 0.00 -0.09 -0.34 2.03 -1.26 -1.17 116.55 119.36 2wiq n ASP 114 Ca 0.09 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.45 2wiq n ASP 114 Cb 0.40 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.88 2wiq n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wiq n THR 115 N 0.00 1.30 -4.00 5.18 -2.24 -1.26 -4.98 114.28 108.28 2wiq n THR 115 Ca 0.00 -1.50 -0.35 0.00 -2.27 0.00 0.00 64.05 59.93 2wiq n THR 115 Cb 0.00 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 2wiq n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wiq s VAL 117 N 0.65 5.22 -0.17 0.00 1.01 -0.07 0.13 120.40 127.16 2wiq s VAL 117 Ca 0.03 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2wiq s VAL 117 Cb -0.13 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2wiq s VAL 117 CO 0.02 0.22 -0.00 -0.69 0.00 0.00 0.00 175.10 174.65 2wiq s VAL 118 N 1.67 4.16 -0.09 2.92 1.01 -0.18 -1.17 120.40 128.72 2wiq s VAL 118 Ca 0.14 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2wiq s VAL 118 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2wiq s VAL 118 CO 0.09 0.47 -0.21 -0.55 0.00 0.00 0.00 175.10 174.90 2wiq s SER 119 N 0.47 2.76 -0.10 3.32 0.15 0.04 -1.09 113.70 119.26 2wiq s SER 119 Ca -0.01 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2wiq s SER 119 Cb -0.14 -1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2wiq s SER 119 CO 0.02 0.13 -0.24 -0.13 1.20 0.00 0.00 173.24 174.23 2wiq s ARG 120 N 0.39 2.99 -0.06 5.44 0.52 -0.67 -0.66 118.95 126.90 2wiq s ARG 120 Ca -0.17 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 2wiq s ARG 120 Cb -0.17 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.04 2wiq s ARG 120 CO 0.07 0.19 -0.11 0.42 0.02 0.00 0.00 175.30 175.90 2wiq s ILE 121 N 0.32 1.00 -0.10 1.52 1.01 -0.06 -0.91 121.20 123.97 2wiq s ILE 121 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2wiq s ILE 121 Cb -0.18 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 2wiq s ILE 121 CO 0.09 0.32 -0.11 0.42 0.00 0.00 0.00 174.94 175.65 2wiq s THR 122 N 0.63 3.27 -0.02 2.92 -4.23 -0.53 -0.77 115.64 116.90 2wiq s THR 122 Ca -0.12 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2wiq s THR 122 Cb -0.15 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2wiq s THR 122 CO 0.03 0.55 -0.07 0.54 -0.54 0.00 0.00 174.62 175.13 2wiq s VAL 123 N -0.11 0.62 -0.24 2.29 0.11 -0.30 -1.62 120.40 121.15 2wiq s VAL 123 Ca -0.01 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2wiq s VAL 123 Cb -0.14 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2wiq s VAL 123 CO 0.03 0.21 -0.02 0.20 -3.33 0.00 0.00 175.10 172.19 2wiq s ASN 124 N 0.28 4.48 -0.53 3.54 -0.87 0.36 -1.99 114.94 120.21 2wiq s ASN 124 Ca -0.04 -0.58 -0.10 0.00 -1.57 0.00 0.00 52.86 50.58 2wiq s ASN 124 Cb -0.08 -1.75 0.14 0.00 -0.02 0.00 0.00 41.25 39.53 2wiq s ASN 124 CO 0.00 -0.08 0.42 0.00 -2.57 0.00 0.00 177.10 174.87 2wiq s ASP 126 N 2.55 3.19 -0.52 0.00 1.01 -0.53 -1.35 116.67 121.02 2wiq s ASP 126 Ca 0.08 -0.74 0.00 0.00 0.71 0.00 0.00 52.55 52.60 2wiq s ASP 126 Cb -0.24 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.48 2wiq s ASP 126 CO -0.01 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.14 2wiq n GLY 127 N 0.94 0.64 3.79 0.21 0.00 -1.26 -1.04 105.19 108.47 2wiq n GLY 127 Ca -0.18 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 2wiq n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wiq s PHE 128 N -2.20 3.35 -0.35 1.61 0.40 -1.26 -2.84 117.98 116.67 2wiq s PHE 128 Ca 0.00 1.66 -0.23 0.00 -0.60 0.00 0.00 56.93 57.76 2wiq s PHE 128 Cb 0.00 -3.03 0.01 0.00 0.51 0.00 0.00 43.02 40.51 2wiq s PHE 128 CO 0.00 -0.36 0.78 -0.65 0.70 0.00 0.00 175.22 175.69 2wiq s GLN 129 N -2.58 3.78 0.55 0.44 -1.52 -1.26 -4.86 119.66 114.21 2wiq s GLN 129 Ca 0.58 0.34 0.28 0.00 -1.95 0.00 0.00 55.36 54.61 2wiq s GLN 129 Cb -0.18 -3.80 1.62 0.00 -0.22 0.00 0.00 33.01 30.43 2wiq s GLN 129 CO 0.23 -0.82 2.16 -1.35 -0.25 0.00 0.00 175.29 175.26 2wiq h PRO 130 N 8.42 0.00 -0.36 2.91 0.11 -1.96 -0.84 132.00 140.27 2wiq h PRO 130 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wiq h PRO 130 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wiq h PRO 130 CO 0.90 0.07 0.00 -3.47 -0.21 0.00 0.00 178.00 175.29 2wiq n ASP 131 N -3.75 3.98 -4.78 -2.05 4.64 -1.26 -4.37 116.55 108.96 2wiq n ASP 131 Ca -0.02 -2.71 -0.24 0.00 -1.38 0.00 0.00 54.79 50.43 2wiq n ASP 131 Cb 0.16 -0.49 0.08 0.00 -1.04 0.00 0.00 41.12 39.84 2wiq n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2wiq s GLY 132 N -1.47 1.75 0.27 0.27 0.00 -0.32 -4.90 107.32 102.91 2wiq s GLY 132 Ca 0.40 -1.29 0.24 0.00 0.00 0.00 0.00 44.72 44.08 2wiq s GLY 132 CO 0.13 -0.83 1.74 -0.56 0.00 0.00 0.00 173.10 173.58 2wiq h PRO 133 N -0.52 0.00 0.07 2.90 0.13 -1.94 -0.07 132.00 132.56 2wiq h PRO 133 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2wiq h PRO 133 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wiq h PRO 133 CO 0.50 0.00 -0.03 0.82 -0.23 0.00 0.00 178.00 179.06 2wiq h ILE 134 N 0.00 1.00 0.00 -3.56 2.04 -1.94 0.66 117.51 115.71 2wiq h ILE 134 Ca 0.00 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 2wiq h ILE 134 Cb 0.42 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2wiq h ILE 134 CO 0.00 0.31 -0.29 0.24 0.00 0.00 0.00 178.15 178.40 2wiq h MET 135 N -0.93 0.00 -0.01 2.37 2.86 -1.74 0.17 114.93 117.65 2wiq h MET 135 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wiq h MET 135 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2wiq h MET 135 CO 0.01 0.29 -0.01 0.54 1.06 0.00 0.00 176.91 178.80 2wiq n ARG 136 N -3.56 1.52 -3.48 1.72 1.74 -0.05 -4.78 116.66 109.76 2wiq n ARG 136 Ca -0.01 -0.80 -0.19 0.00 -0.77 0.00 0.00 57.85 56.09 2wiq n ARG 136 Cb 0.43 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.47 2wiq n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wiq n ASP 137 N -0.04 -2.97 -1.06 0.55 2.03 -0.90 -4.91 116.55 109.25 2wiq n ASP 137 Ca 0.19 -0.61 0.08 0.00 0.52 0.00 0.00 54.79 54.97 2wiq n ASP 137 Cb 0.32 -5.06 0.27 0.00 -0.72 0.00 0.00 41.12 35.94 2wiq n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wiq n GLN 138 N -4.33 3.28 -3.63 -0.67 6.02 0.20 -4.97 117.38 113.28 2wiq n GLN 138 Ca -0.22 -2.75 -0.36 0.00 -0.01 0.00 0.00 57.00 53.66 2wiq n GLN 138 Cb 0.65 -1.80 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 2wiq n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wiq s LEU 139 N -2.37 4.23 -0.09 1.08 1.02 -1.24 -0.46 118.68 120.85 2wiq s LEU 139 Ca 0.41 0.38 0.07 0.00 0.02 0.00 0.00 54.13 55.01 2wiq s LEU 139 Cb 0.31 -2.24 -0.11 0.00 0.02 0.00 0.00 46.19 44.17 2wiq s LEU 139 CO 0.13 0.14 0.01 0.52 0.02 0.00 0.00 176.35 177.17 2wiq n VAL 140 N 3.54 0.63 -3.98 -1.59 0.31 0.51 -4.93 118.33 112.82 2wiq n VAL 140 Ca -0.14 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2wiq n VAL 140 Cb 0.52 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 2wiq n VAL 140 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2wiq s ASP 141 N -4.26 0.23 -0.17 4.52 1.47 -1.24 -4.99 116.67 112.23 2wiq s ASP 141 Ca -0.06 -1.12 0.01 0.00 1.18 0.00 0.00 52.55 52.55 2wiq s ASP 141 Cb 0.03 0.68 0.01 0.00 -0.34 0.00 0.00 42.92 43.29 2wiq s ASP 141 CO 0.36 -1.32 -0.17 -0.63 0.68 0.00 0.00 175.17 174.09 2wiq s ILE 142 N -3.35 2.38 0.10 2.11 1.01 -1.26 -2.34 121.20 119.85 2wiq s ILE 142 Ca 0.23 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2wiq s ILE 142 Cb -0.02 -2.00 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 2wiq s ILE 142 CO 0.13 0.52 1.12 -0.76 0.00 0.00 0.00 174.94 175.95 2wiq s LEU 143 N 1.05 4.42 0.43 2.97 1.43 -0.34 -4.70 118.68 123.95 2wiq s LEU 143 Ca -0.01 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 54.82 2wiq s LEU 143 Cb -0.14 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 2wiq s LEU 143 CO -0.05 -0.32 1.36 -2.84 0.23 0.00 0.00 176.35 174.72 2wiq s PRO 144 N 0.45 3.81 0.15 1.29 0.02 -1.26 -4.55 135.00 134.91 2wiq s PRO 144 Ca 0.54 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.78 2wiq s PRO 144 Cb -0.28 -2.69 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 2wiq s PRO 144 CO 0.31 -0.66 0.15 0.54 -0.33 0.00 0.00 177.00 177.01 2wiq s ASN 145 N -0.66 0.20 -0.69 2.53 2.20 -0.44 -5.00 114.94 113.09 2wiq s ASN 145 Ca 0.59 -1.10 -0.08 0.00 -0.94 0.00 0.00 52.86 51.34 2wiq s ASN 145 Cb -0.40 0.35 0.18 0.00 -2.00 0.00 0.00 41.25 39.38 2wiq s ASN 145 CO 0.52 -0.80 0.56 -1.61 -2.94 0.00 0.00 177.10 172.83 2wiq s GLU 146 N -4.03 2.95 0.52 3.55 0.41 -1.26 -1.08 118.70 119.76 2wiq s GLU 146 Ca 0.22 -2.44 -0.19 0.00 -0.41 0.00 0.00 54.97 52.16 2wiq s GLU 146 Cb 0.06 -4.01 -0.07 0.00 -1.78 0.00 0.00 34.13 28.32 2wiq s GLU 146 CO 0.02 -1.22 1.03 0.95 -0.49 0.00 0.00 175.26 175.55 2wiq s THR 147 N 0.15 3.90 -0.22 3.63 -4.23 0.09 -4.86 115.64 114.10 2wiq s THR 147 Ca 0.16 1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.69 2wiq s THR 147 Cb -0.17 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 2wiq s THR 147 CO -0.05 -0.37 0.02 -1.00 -0.54 0.00 0.00 174.62 172.68 2wiq s HIS 148 N -2.19 3.05 -0.16 3.99 3.76 0.48 -1.28 115.29 122.94 2wiq s HIS 148 Ca 0.65 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.97 2wiq s HIS 148 Cb -0.15 -2.14 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 2wiq s HIS 148 CO 0.26 -0.33 0.10 -1.64 -0.85 0.00 0.00 174.74 172.28 2wiq s MET 149 N 1.29 3.75 0.01 1.40 -1.94 0.08 -1.07 119.30 122.82 2wiq s MET 149 Ca 0.04 -0.24 0.04 0.00 -1.71 0.00 0.00 55.69 53.83 2wiq s MET 149 Cb -0.15 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 2wiq s MET 149 CO 0.02 0.50 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.34 2wiq s PHE 150 N -0.25 1.17 0.57 -0.03 0.08 0.25 -1.47 117.98 118.31 2wiq s PHE 150 Ca 0.10 -0.28 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 2wiq s PHE 150 Cb -0.12 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2wiq s PHE 150 CO 0.01 0.01 1.28 -0.35 -0.10 0.00 0.00 175.22 176.07 2wiq n PRO 151 N 2.34 1.45 -3.15 0.24 -0.04 -1.25 -0.46 135.00 134.13 2wiq n PRO 151 Ca -0.16 0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 63.62 2wiq n PRO 151 Cb 0.55 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 2wiq n PRO 151 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2wiq n HIS 152 N -1.30 -0.92 -2.03 0.54 -0.00 -0.65 -4.62 115.22 106.24 2wiq n HIS 152 Ca 0.12 -3.24 0.00 0.00 0.46 0.00 0.00 57.72 55.06 2wiq n HIS 152 Cb 0.45 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2wiq n HIS 152 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wiq n GLY 153 N 1.69 -2.22 0.10 1.57 0.00 -1.26 -3.51 105.19 101.56 2wiq n GLY 153 Ca 0.21 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.83 2wiq n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wiq n PRO 154 N -0.45 0.16 -0.10 1.61 -0.04 -1.26 -4.11 135.00 130.81 2wiq n PRO 154 Ca 0.00 0.35 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 2wiq n PRO 154 Cb 0.00 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 2wiq n PRO 154 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wiq n ASN 155 N -2.09 0.79 -3.80 3.54 3.02 -1.26 -4.59 115.26 110.87 2wiq n ASN 155 Ca 0.03 -1.67 -0.10 0.00 -0.03 0.00 0.00 54.58 52.81 2wiq n ASN 155 Cb 0.25 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2wiq n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wiq s ALA 156 N -0.58 -0.47 0.03 5.41 0.00 -1.23 -0.19 121.76 124.74 2wiq s ALA 156 Ca 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.55 2wiq s ALA 156 Cb 0.03 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 2wiq s ALA 156 CO 0.00 -0.63 -0.07 0.08 0.00 0.00 0.00 175.76 175.15 2wiq s VAL 157 N -3.87 0.50 -0.08 0.00 1.01 -0.21 -1.64 120.40 116.10 2wiq s VAL 157 Ca 0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2wiq s VAL 157 Cb 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2wiq s VAL 157 CO -0.07 -0.26 -0.19 -0.60 0.00 0.00 0.00 175.10 173.99 2wiq s ARG 158 N -1.20 2.88 -0.22 2.72 3.52 0.40 -0.62 118.95 126.43 2wiq s ARG 158 Ca -0.07 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.71 2wiq s ARG 158 Cb -0.08 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.92 2wiq s ARG 158 CO 0.00 0.35 -0.04 -1.14 -0.81 0.00 0.00 175.30 173.66 2wiq s GLN 159 N -0.06 3.39 -0.07 5.12 0.74 0.11 -0.58 119.66 128.31 2wiq s GLN 159 Ca -0.05 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.76 2wiq s GLN 159 Cb -0.14 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 2wiq s GLN 159 CO 0.04 -0.18 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.99 2wiq s LEU 160 N 1.43 2.97 0.03 3.68 1.43 -0.23 -0.78 118.68 127.21 2wiq s LEU 160 Ca 0.05 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 2wiq s LEU 160 Cb -0.14 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2wiq s LEU 160 CO -0.03 0.34 0.42 0.00 0.23 0.00 0.00 176.35 177.31 2wiq s ALA 161 N -0.68 -1.04 -0.36 4.21 0.00 -0.74 -0.39 121.76 122.76 2wiq s ALA 161 Ca 0.10 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 2wiq s ALA 161 Cb -0.11 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.37 2wiq s ALA 161 CO 0.01 -0.43 0.14 -0.06 0.00 0.00 0.00 175.76 175.42 2wiq s PHE 162 N -2.25 3.35 -0.33 0.00 0.40 -1.26 -1.26 117.98 116.63 2wiq s PHE 162 Ca -0.07 -1.75 -0.10 0.00 -0.60 0.00 0.00 56.93 54.41 2wiq s PHE 162 Cb -0.01 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.92 2wiq s PHE 162 CO -0.01 -0.82 0.17 0.42 0.70 0.00 0.00 175.22 175.68 2wiq s ILE 163 N 1.32 4.61 0.12 0.64 1.01 -0.33 -4.90 121.20 123.68 2wiq s ILE 163 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2wiq s ILE 163 Cb -0.21 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2wiq s ILE 163 CO 0.00 -0.01 0.33 -0.83 0.00 0.00 0.00 174.94 174.44 2wiq s GLY 164 N 1.60 2.20 -0.03 6.18 0.00 -1.26 -0.07 107.32 115.93 2wiq s GLY 164 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2wiq s GLY 164 CO 0.06 -0.59 -0.03 -1.36 0.00 0.00 0.00 173.10 171.18 2wiq s PHE 165 N -1.63 0.59 0.26 1.90 0.08 -0.20 -1.20 117.98 117.77 2wiq s PHE 165 Ca 0.39 -0.13 -0.27 0.00 0.12 0.00 0.00 56.93 57.04 2wiq s PHE 165 Cb -0.12 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.69 2wiq s PHE 165 CO 0.26 -0.15 0.90 0.95 -0.10 0.00 0.00 175.22 177.08 2wiq s THR 166 N 0.80 4.19 0.33 0.64 -4.23 -0.99 0.06 115.64 116.45 2wiq s THR 166 Ca -0.10 1.89 0.07 0.00 -1.18 0.00 0.00 61.69 62.37 2wiq s THR 166 Cb -0.13 -4.16 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 2wiq s THR 166 CO -0.00 0.36 0.45 0.42 -0.54 0.00 0.00 174.62 175.31 2wiq s THR 167 N -1.35 4.09 0.40 3.99 -4.23 -0.54 -0.36 115.64 117.65 2wiq s THR 167 Ca 0.43 -1.03 0.11 0.00 -1.18 0.00 0.00 61.69 60.03 2wiq s THR 167 Cb -0.22 -3.41 0.16 0.00 1.34 0.00 0.00 72.50 70.36 2wiq s THR 167 CO 0.28 -0.17 1.93 0.00 -0.54 0.00 0.00 174.62 176.12 2wiq h ALA 168 N 0.94 1.56 0.00 3.99 0.00 -1.10 -0.90 119.26 123.75 2wiq h ALA 168 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2wiq h ALA 168 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wiq h ALA 168 CO 0.54 0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 2wiq n ASP 169 N -4.28 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 111.89 2wiq n ASP 169 Ca -0.01 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 2wiq n ASP 169 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2wiq n ASP 169 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wiq n GLY 170 N 0.64 0.54 0.00 6.12 0.00 -0.34 -5.06 105.19 107.08 2wiq n GLY 170 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wiq n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wiq n GLY 171 N -2.90 -0.71 3.03 -0.02 0.00 -1.25 -4.78 105.19 98.56 2wiq n GLY 171 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 2wiq n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wiq s LEU 172 N 0.00 2.03 -0.20 0.99 0.20 -1.26 -1.46 118.68 118.97 2wiq s LEU 172 Ca 0.00 -0.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 2wiq s LEU 172 Cb 0.00 -0.46 0.00 0.00 -0.43 0.00 0.00 46.19 45.30 2wiq s LEU 172 CO 0.00 0.10 -0.11 -0.32 -0.29 0.00 0.00 176.35 175.73 2wiq s MET 173 N -0.27 3.23 -0.22 1.98 -2.45 0.11 -4.90 119.30 116.78 2wiq s MET 173 Ca 0.03 -0.71 -0.07 0.00 -1.25 0.00 0.00 55.69 53.69 2wiq s MET 173 Cb -0.04 -2.82 -0.03 0.00 1.25 0.00 0.00 34.83 33.19 2wiq s MET 173 CO -0.00 -0.18 0.06 1.41 1.05 0.00 0.00 175.02 177.36 2wiq s MET 174 N 1.35 3.76 -0.17 4.11 1.75 -1.26 -1.04 119.30 127.80 2wiq s MET 174 Ca 0.05 -0.44 -0.06 0.00 -1.25 0.00 0.00 55.69 53.99 2wiq s MET 174 Cb -0.14 -3.27 -0.03 0.00 2.84 0.00 0.00 34.83 34.22 2wiq s MET 174 CO -0.07 -0.02 0.02 0.20 -0.65 0.00 0.00 175.02 174.50 2wiq s GLY 175 N 1.16 1.83 -0.47 2.11 0.00 0.90 -1.07 107.32 111.78 2wiq s GLY 175 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.77 2wiq s GLY 175 CO 0.03 0.01 0.67 0.30 0.00 0.00 0.00 173.10 174.12 2wiq s HIS 176 N 0.38 3.03 -0.19 1.90 3.76 0.13 -1.19 115.29 123.11 2wiq s HIS 176 Ca 0.00 -0.16 -0.08 0.00 -0.15 0.00 0.00 55.06 54.68 2wiq s HIS 176 Cb -0.13 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 2wiq s HIS 176 CO 0.01 -0.96 0.07 0.12 -0.85 0.00 0.00 174.74 173.13 2wiq s PHE 177 N 2.91 3.25 -0.14 1.40 2.19 -0.39 -1.20 117.98 126.00 2wiq s PHE 177 Ca 0.22 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.51 2wiq s PHE 177 Cb -0.15 -2.10 0.06 0.00 -1.31 0.00 0.00 43.02 39.52 2wiq s PHE 177 CO 0.17 0.13 0.12 0.34 1.83 0.00 0.00 175.22 177.81 2wiq s ASP 178 N 0.46 1.76 -0.04 6.13 -1.08 -0.58 -1.79 116.67 121.53 2wiq s ASP 178 Ca 0.04 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 51.78 2wiq s ASP 178 Cb -0.12 -0.05 0.01 0.00 -1.46 0.00 0.00 42.92 41.30 2wiq s ASP 178 CO 0.00 -0.31 -0.08 -0.55 0.52 0.00 0.00 175.17 174.75 2wiq s SER 179 N 2.20 1.26 -0.19 -0.34 0.15 0.04 -0.74 113.70 116.08 2wiq s SER 179 Ca 0.04 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 2wiq s SER 179 Cb -0.15 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.65 2wiq s SER 179 CO -0.08 0.02 -0.05 -0.75 1.20 0.00 0.00 173.24 173.57 2wiq s LYS 180 N 0.56 3.47 -0.17 5.44 2.20 0.41 0.07 119.74 131.72 2wiq s LYS 180 Ca -0.09 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 54.85 2wiq s LYS 180 Cb -0.13 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2wiq s LYS 180 CO 0.01 0.00 0.04 -1.64 -0.36 0.00 0.00 175.35 173.41 2wiq s MET 181 N 0.96 3.90 -0.04 4.03 -1.94 0.21 -1.28 119.30 125.14 2wiq s MET 181 Ca -0.00 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 2wiq s MET 181 Cb -0.15 -3.14 -0.00 0.00 2.01 0.00 0.00 34.83 33.55 2wiq s MET 181 CO 0.01 0.28 -0.16 0.99 -0.01 0.00 0.00 175.02 176.12 2wiq s THR 182 N 0.34 1.34 0.05 2.05 2.01 -0.37 -1.05 115.64 120.02 2wiq s THR 182 Ca 0.02 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 2wiq s THR 182 Cb -0.13 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 2wiq s THR 182 CO 0.01 0.39 0.89 0.12 -0.69 0.00 0.00 174.62 175.33 2wiq s PHE 183 N 0.05 3.74 -0.89 4.92 5.36 0.74 -1.47 117.98 130.42 2wiq s PHE 183 Ca -0.03 1.64 0.27 0.00 -0.96 0.00 0.00 56.93 57.84 2wiq s PHE 183 Cb -0.11 -2.98 0.85 0.00 -0.34 0.00 0.00 43.02 40.44 2wiq s PHE 183 CO 0.02 0.17 1.69 0.09 -1.46 0.00 0.00 175.22 175.72 2wiq n ASN 184 N 3.13 0.38 -3.90 6.13 3.02 -1.12 -4.93 115.26 117.97 2wiq n ASN 184 Ca 0.01 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.72 2wiq n ASN 184 Cb 0.50 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 2wiq n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wiq n GLY 185 N 1.44 2.04 0.09 7.41 0.00 -1.26 -5.03 105.19 109.88 2wiq n GLY 185 Ca 0.06 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 2wiq n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wiq n SER 186 N -2.49 0.37 -4.64 1.61 3.41 -1.26 -4.97 113.62 105.64 2wiq n SER 186 Ca 0.09 0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.57 2wiq n SER 186 Cb 0.39 0.64 0.18 0.00 -0.26 0.00 0.00 64.21 65.16 2wiq n SER 186 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wiq n ARG 187 N -2.83 -0.69 -2.85 4.33 1.85 -1.26 -4.99 116.66 110.22 2wiq n ARG 187 Ca -0.23 -0.14 -0.38 0.00 -1.00 0.00 0.00 57.85 56.09 2wiq n ARG 187 Cb 1.05 -2.34 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 2wiq n ARG 187 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wiq s ALA 188 N -2.61 3.33 0.06 2.89 0.00 -1.26 -5.06 121.76 119.11 2wiq s ALA 188 Ca 0.67 0.48 0.05 0.00 0.00 0.00 0.00 51.96 53.16 2wiq s ALA 188 Cb -0.23 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2wiq s ALA 188 CO 0.59 0.23 -0.15 -1.50 0.00 0.00 0.00 175.76 174.93 2wiq s ILE 189 N -1.37 1.17 -0.35 0.00 2.07 -1.26 -5.10 121.20 116.36 2wiq s ILE 189 Ca 0.43 -1.24 -0.29 0.00 -1.41 0.00 0.00 60.65 58.15 2wiq s ILE 189 Cb -0.22 -1.10 0.02 0.00 0.13 0.00 0.00 42.46 41.29 2wiq s ILE 189 CO 0.27 -0.14 1.08 -1.61 -1.91 0.00 0.00 174.94 172.63 2wiq s GLU 190 N -1.57 4.00 -0.28 3.50 0.41 -1.26 -4.93 118.70 118.57 2wiq s GLU 190 Ca -0.00 0.96 -0.20 0.00 -0.41 0.00 0.00 54.97 55.33 2wiq s GLU 190 Cb -0.09 -3.77 -0.02 0.00 -1.78 0.00 0.00 34.13 28.47 2wiq s GLU 190 CO 0.02 -1.00 0.60 0.42 -0.49 0.00 0.00 175.26 174.81 2wiq s ILE 191 N 3.80 4.99 0.62 -1.63 -1.09 -1.26 -4.75 121.20 121.89 2wiq s ILE 191 Ca 0.46 0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 59.65 2wiq s ILE 191 Cb -0.11 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 2wiq s ILE 191 CO 0.19 -0.02 1.27 -0.81 -1.23 0.00 0.00 174.94 174.34 2wiq n PRO 192 N 5.73 1.22 -1.29 2.79 -0.04 -1.26 -5.00 135.00 137.14 2wiq n PRO 192 Ca -0.02 0.47 -0.30 0.00 -0.04 0.00 0.00 63.50 63.62 2wiq n PRO 192 Cb 0.49 -2.50 0.13 0.00 -0.04 0.00 0.00 33.50 31.58 2wiq n PRO 192 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wiq s GLY 193 N -1.26 1.61 0.15 0.55 0.00 -1.26 -3.95 107.32 103.15 2wiq s GLY 193 Ca 0.80 -0.17 -0.34 0.00 0.00 0.00 0.00 44.72 45.01 2wiq s GLY 193 CO 0.43 0.33 1.24 -1.05 0.00 0.00 0.00 173.10 174.05 2wiq n PRO 194 N -3.83 1.24 -1.18 2.90 -0.02 -1.26 -4.77 135.00 128.09 2wiq n PRO 194 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2wiq n PRO 194 Cb 0.56 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2wiq n PRO 194 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2wiq n HIS 195 N 1.88 -0.71 -4.27 6.00 1.44 -0.54 -4.97 115.22 114.05 2wiq n HIS 195 Ca 0.16 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.64 2wiq n HIS 195 Cb 0.23 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.22 2wiq n HIS 195 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2wiq s PHE 196 N -6.97 1.72 -0.17 -1.40 0.40 -0.38 -0.74 117.98 110.44 2wiq s PHE 196 Ca 0.00 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2wiq s PHE 196 Cb 0.00 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.61 2wiq s PHE 196 CO 0.00 0.19 -0.19 0.08 0.70 0.00 0.00 175.22 176.01 2wiq s VAL 197 N -1.22 1.95 -0.03 -0.44 1.01 -0.40 -0.97 120.40 120.30 2wiq s VAL 197 Ca 0.06 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2wiq s VAL 197 Cb -0.10 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2wiq s VAL 197 CO 0.04 0.52 0.90 -0.89 0.00 0.00 0.00 175.10 175.68 2wiq s THR 198 N 1.33 4.91 -0.11 3.92 2.01 0.23 -0.73 115.64 127.19 2wiq s THR 198 Ca 0.05 1.89 0.01 0.00 0.31 0.00 0.00 61.69 63.94 2wiq s THR 198 Cb -0.13 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2wiq s THR 198 CO -0.12 0.17 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.23 2wiq s ILE 199 N 1.05 1.29 -0.11 1.82 1.01 -0.24 -1.35 121.20 124.65 2wiq s ILE 199 Ca 0.48 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2wiq s ILE 199 Cb -0.20 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2wiq s ILE 199 CO 0.24 0.41 -0.22 -0.63 0.00 0.00 0.00 174.94 174.74 2wiq s ILE 200 N 1.32 1.95 0.00 2.92 1.01 0.92 -1.32 121.20 128.00 2wiq s ILE 200 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2wiq s ILE 200 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2wiq s ILE 200 CO -0.05 0.53 -0.07 -0.89 0.00 0.00 0.00 174.94 174.45 2wiq s THR 201 N 0.60 0.57 -0.08 2.92 2.01 -1.26 -0.77 115.64 119.62 2wiq s THR 201 Ca -0.13 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2wiq s THR 201 Cb -0.17 -0.50 0.04 0.00 0.01 0.00 0.00 72.50 71.88 2wiq s THR 201 CO 0.04 0.08 0.19 -0.75 -0.69 0.00 0.00 174.62 173.48 2wiq s LYS 202 N -0.39 0.14 -0.11 4.92 2.47 -0.47 -4.62 119.74 121.68 2wiq s LYS 202 Ca 0.01 0.43 -0.06 0.00 -1.56 0.00 0.00 55.97 54.79 2wiq s LYS 202 Cb -0.04 -0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.14 2wiq s LYS 202 CO -0.00 -0.16 0.14 -0.65 0.16 0.00 0.00 175.35 174.84 2wiq s GLN 203 N 1.18 3.43 0.10 4.03 -0.21 -1.26 -1.15 119.66 125.77 2wiq s GLN 203 Ca -0.09 -0.16 0.06 0.00 0.02 0.00 0.00 55.36 55.20 2wiq s GLN 203 Cb -0.11 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 2wiq s GLN 203 CO -0.07 0.77 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.07 2wiq s MET 204 N -1.12 0.98 -0.11 2.91 -1.94 0.12 -4.97 119.30 115.15 2wiq s MET 204 Ca 0.16 -1.11 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 2wiq s MET 204 Cb -0.12 -1.02 -0.01 0.00 2.01 0.00 0.00 34.83 35.68 2wiq s MET 204 CO 0.06 0.22 -0.15 1.03 -0.01 0.00 0.00 175.02 176.16 2wiq s ARG 205 N -2.08 3.18 0.34 2.03 0.52 -1.26 -0.53 118.95 121.15 2wiq s ARG 205 Ca 0.04 -0.73 0.09 0.00 -0.52 0.00 0.00 55.73 54.61 2wiq s ARG 205 Cb -0.08 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 2wiq s ARG 205 CO 0.03 0.27 -0.03 0.16 0.02 0.00 0.00 175.30 175.76 2wiq s ASP 206 N 0.18 4.03 0.38 0.23 1.47 -1.26 -5.03 116.67 116.67 2wiq s ASP 206 Ca -0.09 -1.06 0.26 0.00 1.18 0.00 0.00 52.55 52.85 2wiq s ASP 206 Cb -0.15 -0.47 0.78 0.00 -0.34 0.00 0.00 42.92 42.74 2wiq s ASP 206 CO 0.05 -0.22 1.75 0.74 0.68 0.00 0.00 175.17 178.18 2wiq h THR 207 N 1.89 0.00 0.00 2.11 2.02 -2.01 -3.39 112.91 113.53 2wiq h THR 207 Ca -0.42 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2wiq h THR 207 Cb 1.25 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2wiq h THR 207 CO 0.68 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 176.33 2wiq n SER 208 N -2.77 0.00 -4.69 4.18 2.88 -1.26 -4.32 113.62 107.65 2wiq n SER 208 Ca 0.03 0.92 -0.41 0.00 -1.33 0.00 0.00 58.87 58.09 2wiq n SER 208 Cb 0.41 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 2wiq n SER 208 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2wiq s ASP 209 N -2.59 6.98 0.33 -3.46 -1.08 -1.26 -4.96 116.67 110.63 2wiq s ASP 209 Ca 0.00 1.20 0.24 0.00 -0.52 0.00 0.00 52.55 53.47 2wiq s ASP 209 Cb 0.00 -2.45 0.46 0.00 -1.46 0.00 0.00 42.92 39.47 2wiq s ASP 209 CO 0.00 -0.29 1.60 0.11 0.52 0.00 0.00 175.17 177.10 2wiq h LYS 210 N 7.12 0.00 -7.28 4.34 1.79 -1.89 -3.47 116.57 117.19 2wiq h LYS 210 Ca -0.34 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.61 2wiq h LYS 210 Cb 1.16 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.95 2wiq h LYS 210 CO 0.80 0.00 0.31 1.03 -1.08 0.00 0.00 179.45 180.51 2wiq s ARG 211 N -3.19 2.03 -0.09 3.15 0.52 -1.26 -4.94 118.95 115.17 2wiq s ARG 211 Ca 0.07 1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 56.32 2wiq s ARG 211 Cb 0.08 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.63 2wiq s ARG 211 CO 0.66 -1.84 1.97 0.34 0.02 0.00 0.00 175.30 176.45 2wiq s ASP 212 N -3.04 6.14 0.19 0.23 -1.08 -1.26 -4.94 116.67 112.92 2wiq s ASP 212 Ca 0.64 2.24 -0.23 0.00 -0.52 0.00 0.00 52.55 54.69 2wiq s ASP 212 Cb -0.20 -2.52 0.06 0.00 -1.46 0.00 0.00 42.92 38.80 2wiq s ASP 212 CO 0.54 -1.36 0.63 -1.38 0.52 0.00 0.00 175.17 174.12 2wiq s HIS 213 N 5.74 -0.45 0.18 -5.34 -3.43 -1.26 -0.40 115.29 110.33 2wiq s HIS 213 Ca 0.89 0.18 0.09 0.00 -0.80 0.00 0.00 55.06 55.42 2wiq s HIS 213 Cb -0.36 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 2wiq s HIS 213 CO 0.37 -0.94 -0.18 0.14 -2.00 0.00 0.00 174.74 172.12 2wiq s VAL 214 N -3.79 1.89 -0.20 -5.38 -7.23 -0.42 -4.80 120.40 100.47 2wiq s VAL 214 Ca 0.03 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2wiq s VAL 214 Cb -0.02 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 2wiq s VAL 214 CO -0.08 -0.36 -0.07 0.00 -0.31 0.00 0.00 175.10 174.28 2wiq s GLN 216 N 1.24 2.65 -0.07 0.00 0.74 -0.43 0.11 119.66 123.89 2wiq s GLN 216 Ca 0.03 -0.90 0.01 0.00 0.05 0.00 0.00 55.36 54.55 2wiq s GLN 216 Cb -0.14 -2.19 -0.03 0.00 1.10 0.00 0.00 33.01 31.74 2wiq s GLN 216 CO -0.02 0.35 -0.08 0.50 -0.55 0.00 0.00 175.29 175.48 2wiq s ARG 217 N -0.08 2.76 -0.06 1.67 3.52 -0.30 -0.67 118.95 125.79 2wiq s ARG 217 Ca -0.06 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 2wiq s ARG 217 Cb -0.14 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2wiq s ARG 217 CO 0.05 0.63 -0.09 -2.00 -0.81 0.00 0.00 175.30 173.07 2wiq s GLU 218 N -0.71 1.40 -0.21 5.12 2.12 -0.69 -1.37 118.70 124.35 2wiq s GLU 218 Ca 0.11 -0.30 -0.07 0.00 0.36 0.00 0.00 54.97 55.07 2wiq s GLU 218 Cb -0.11 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 2wiq s GLU 218 CO 0.01 -0.03 0.06 0.08 -0.54 0.00 0.00 175.26 174.84 2wiq s VAL 219 N 0.84 4.55 -0.04 3.70 1.01 0.05 -2.02 120.40 128.48 2wiq s VAL 219 Ca -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 2wiq s VAL 219 Cb -0.15 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.18 2wiq s VAL 219 CO 0.02 0.40 0.01 0.00 0.00 0.00 0.00 175.10 175.53 2wiq s ALA 220 N 0.93 0.34 -0.10 5.51 0.00 -0.55 -0.05 121.76 127.83 2wiq s ALA 220 Ca 0.04 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 2wiq s ALA 220 Cb -0.14 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.58 2wiq s ALA 220 CO 0.03 -0.21 0.36 1.52 0.00 0.00 0.00 175.76 177.46 2wiq s TYR 221 N 1.37 -0.35 0.38 0.00 1.13 -0.46 -1.50 117.35 117.92 2wiq s TYR 221 Ca -0.05 0.78 -0.23 0.00 -1.41 0.00 0.00 57.07 56.17 2wiq s TYR 221 Cb -0.13 0.13 -0.10 0.00 -1.10 0.00 0.00 41.96 40.76 2wiq s TYR 221 CO -0.03 -0.27 0.94 0.00 -2.51 0.00 0.00 175.55 173.69 2wiq s ALA 222 N -0.29 3.13 0.17 9.51 0.00 -0.01 -0.60 121.76 133.66 2wiq s ALA 222 Ca -0.04 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 2wiq s ALA 222 Cb -0.03 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.99 2wiq s ALA 222 CO 0.02 0.16 0.55 -3.38 0.00 0.00 0.00 175.76 173.10 2wiq s HIS 223 N -1.92 -0.34 0.44 0.00 -3.43 -0.14 -4.45 115.29 105.45 2wiq s HIS 223 Ca 0.56 0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.89 2wiq s HIS 223 Cb -0.13 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.50 2wiq s HIS 223 CO 0.18 -0.87 0.15 -1.13 -2.00 0.00 0.00 174.74 171.07 2wiq n SER 224 N -0.34 2.88 -4.38 7.38 3.41 -1.26 -1.25 113.62 120.07 2wiq n SER 224 Ca -0.14 -2.75 -0.30 0.00 -0.26 0.00 0.00 58.87 55.42 2wiq n SER 224 Cb 0.64 0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.61 2wiq n SER 224 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wiq s VAL 225 N -2.43 2.26 -0.34 -3.33 -7.23 -1.26 -4.97 120.40 103.10 2wiq s VAL 225 Ca 0.11 -1.53 -0.43 0.00 -1.81 0.00 0.00 61.98 58.32 2wiq s VAL 225 Cb -0.01 -1.94 -0.18 0.00 0.56 0.00 0.00 36.38 34.81 2wiq s VAL 225 CO 0.07 0.24 1.59 -0.81 -0.31 0.00 0.00 175.10 175.88 2wiq n PRO 226 N 1.37 0.50 -2.68 4.82 -0.04 -1.26 -4.98 135.00 132.73 2wiq n PRO 226 Ca -0.17 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 2wiq n PRO 226 Cb 0.52 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 2wiq n PRO 226 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wiq s ARG 227 N 2.79 3.85 -0.18 0.54 6.06 -1.26 -5.08 118.95 125.68 2wiq s ARG 227 Ca 1.00 0.67 -0.07 0.00 -2.50 0.00 0.00 55.73 54.83 2wiq s ARG 227 Cb -1.29 -2.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.39 2wiq s ARG 227 CO 0.72 -0.13 0.05 0.96 -2.50 0.00 0.00 175.30 174.40 2wiq s ILE 228 N -2.46 4.63 -1.24 4.11 -4.36 -1.26 -5.01 121.20 115.60 2wiq s ILE 228 Ca 0.54 -0.09 0.25 0.00 -0.26 0.00 0.00 60.65 61.09 2wiq s ILE 228 Cb -0.10 -3.08 0.07 0.00 1.25 0.00 0.00 42.46 40.60 2wiq s ILE 228 CO 0.31 0.46 1.43 0.35 0.24 0.00 0.00 174.94 177.73 2wiq n THR 229 N 3.63 0.00 -3.65 8.37 -2.24 -1.26 -4.90 114.28 114.23 2wiq n THR 229 Ca -0.17 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 2wiq n THR 229 Cb 0.52 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2wiq n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wiq s SER 230 N -2.84 -0.22 -0.32 3.42 0.15 -1.26 -5.07 113.70 107.56 2wiq s SER 230 Ca 0.15 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2wiq s SER 230 Cb 0.18 0.40 0.28 0.00 -1.71 0.00 0.00 66.02 65.18 2wiq s SER 230 CO 0.65 -0.71 1.83 0.00 1.20 0.00 0.00 173.24 176.21 2wiq n ALA 231 N -0.38 4.87 0.78 5.45 0.00 -1.26 -5.28 120.51 124.70 2wiq n ALA 231 Ca -0.07 -1.76 0.09 0.00 0.00 0.00 0.00 53.44 51.70 2wiq n ALA 231 Cb 0.61 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.78 2wiq n ALA 231 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61