#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pye n GLY 1 N 0.00 0.74 3.58 3.03 0.00 -1.26 -5.03 105.19 106.25 2pye n GLY 1 Ca 0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2pye n GLY 1 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pye s VAL 2 N -2.00 4.75 -0.16 1.61 1.01 -1.26 -3.60 120.40 120.75 2pye s VAL 2 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2pye s VAL 2 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.21 2pye s VAL 2 CO 0.00 0.40 -0.18 -0.89 0.00 0.00 0.00 175.10 174.44 2pye s THR 3 N 0.86 2.38 -0.02 3.92 2.01 -0.02 -4.62 115.64 120.16 2pye s THR 3 Ca 0.04 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2pye s THR 3 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2pye s THR 3 CO 0.03 0.52 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.22 2pye s GLN 4 N 1.01 2.34 -0.13 4.92 -0.21 -1.26 -1.33 119.66 125.00 2pye s GLN 4 Ca -0.02 -0.80 -0.11 0.00 0.02 0.00 0.00 55.36 54.45 2pye s GLN 4 Cb -0.15 -2.30 0.04 0.00 1.00 0.00 0.00 33.01 31.61 2pye s GLN 4 CO -0.05 0.59 0.33 0.95 -2.12 0.00 0.00 175.29 175.00 2pye s THR 5 N -0.79 -0.01 0.50 -0.19 -4.23 -1.12 -4.59 115.64 105.21 2pye s THR 5 Ca 0.13 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 2pye s THR 5 Cb -0.11 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 2pye s THR 5 CO 0.02 0.01 0.82 -2.16 -0.54 0.00 0.00 174.62 172.77 2pye s PRO 6 N 0.48 3.49 0.16 3.99 0.04 -1.26 -1.01 135.00 140.89 2pye s PRO 6 Ca -0.02 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2pye s PRO 6 Cb -0.04 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2pye s PRO 6 CO -0.02 -0.28 1.38 0.87 0.04 0.00 0.00 177.00 178.99 2pye h LYS 7 N 0.14 0.34 -4.22 4.56 1.79 -1.83 -3.42 116.57 113.93 2pye h LYS 7 Ca -0.47 -0.32 -0.18 0.00 -2.18 0.00 0.00 60.65 57.50 2pye h LYS 7 Cb 1.21 0.08 -0.19 0.00 -1.58 0.00 0.00 32.23 31.75 2pye h LYS 7 CO 0.62 1.00 -0.70 -0.06 -1.08 0.00 0.00 179.45 179.22 2pye s PHE 8 N -3.39 0.46 -0.28 -1.35 0.08 -1.26 0.32 117.98 112.56 2pye s PHE 8 Ca -0.05 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.10 2pye s PHE 8 Cb 0.10 -0.31 0.11 0.00 -0.57 0.00 0.00 43.02 42.36 2pye s PHE 8 CO 0.84 -0.21 0.93 -1.14 -0.10 0.00 0.00 175.22 175.55 2pye s GLN 9 N -2.25 0.56 -0.10 0.44 2.00 -0.23 -4.89 119.66 115.19 2pye s GLN 9 Ca -0.07 0.74 0.00 0.00 -2.00 0.00 0.00 55.36 54.03 2pye s GLN 9 Cb -0.05 0.23 -0.03 0.00 0.80 0.00 0.00 33.01 33.97 2pye s GLN 9 CO -0.03 -0.08 -0.09 0.08 -0.50 0.00 0.00 175.29 174.67 2pye s VAL 10 N 0.61 3.51 0.09 1.34 1.01 -1.26 -2.14 120.40 123.55 2pye s VAL 10 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2pye s VAL 10 Cb -0.05 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2pye s VAL 10 CO -0.08 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 174.71 2pye s LEU 11 N -0.30 2.36 0.25 3.92 1.43 -0.99 -4.87 118.68 120.47 2pye s LEU 11 Ca 0.04 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2pye s LEU 11 Cb -0.13 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 2pye s LEU 11 CO 0.02 -0.21 0.47 -0.75 0.23 0.00 0.00 176.35 176.12 2pye s LYS 12 N -2.39 3.56 -0.00 1.70 2.20 -1.26 -0.70 119.74 122.84 2pye s LYS 12 Ca 0.02 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 2pye s LYS 12 Cb -0.05 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 2pye s LYS 12 CO 0.01 0.30 1.68 0.99 -0.36 0.00 0.00 175.35 177.97 2pye s THR 13 N -2.00 3.36 0.00 3.43 2.01 -0.37 -2.11 115.64 119.96 2pye s THR 13 Ca 0.41 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.99 2pye s THR 13 Cb -0.11 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2pye s THR 13 CO 0.30 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2pye n GLY 14 N 4.11 2.57 3.77 4.40 0.00 -0.13 -4.95 105.19 114.97 2pye n GLY 14 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2pye n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pye s GLN 15 N -0.37 4.02 -0.13 1.61 -0.21 -0.90 -4.17 119.66 119.52 2pye s GLN 15 Ca 0.00 1.77 -0.07 0.00 0.02 0.00 0.00 55.36 57.09 2pye s GLN 15 Cb 0.00 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 2pye s GLN 15 CO 0.00 -0.33 0.11 -1.54 -2.12 0.00 0.00 175.29 171.41 2pye s SER 16 N -1.24 6.11 0.01 5.90 1.04 -1.26 -0.28 113.70 123.99 2pye s SER 16 Ca 0.58 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.37 2pye s SER 16 Cb -0.29 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 2pye s SER 16 CO 0.36 0.35 -0.04 -0.32 0.98 0.00 0.00 173.24 174.58 2pye s MET 17 N -0.69 0.29 -0.10 4.02 1.75 -1.02 -4.99 119.30 118.56 2pye s MET 17 Ca 0.13 -0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.23 2pye s MET 17 Cb -0.12 -0.13 -0.01 0.00 2.84 0.00 0.00 34.83 37.41 2pye s MET 17 CO 0.03 0.02 -0.18 0.99 -0.65 0.00 0.00 175.02 175.22 2pye s THR 18 N -0.70 2.59 -0.17 10.11 2.01 -1.26 -0.96 115.64 127.26 2pye s THR 18 Ca -0.06 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 2pye s THR 18 Cb -0.05 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2pye s THR 18 CO -0.00 0.55 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2pye s LEU 19 N 0.13 3.35 0.29 4.42 1.43 0.88 -4.81 118.68 124.37 2pye s LEU 19 Ca -0.09 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2pye s LEU 19 Cb -0.15 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2pye s LEU 19 CO 0.06 0.15 0.54 -1.10 0.23 0.00 0.00 176.35 176.22 2pye s GLN 20 N 0.51 3.59 -0.27 1.70 -1.52 -0.18 -1.26 119.66 122.23 2pye s GLN 20 Ca -0.02 -0.08 -0.07 0.00 -1.95 0.00 0.00 55.36 53.24 2pye s GLN 20 Cb -0.14 -2.67 0.14 0.00 -0.22 0.00 0.00 33.01 30.12 2pye s GLN 20 CO 0.02 0.22 0.57 0.00 -0.25 0.00 0.00 175.29 175.85 2pye s ALA 22 N 2.80 2.30 -0.19 0.00 0.00 -0.44 -1.67 121.76 124.56 2pye s ALA 22 Ca 0.03 -1.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 2pye s ALA 22 Cb -0.13 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.85 2pye s ALA 22 CO -0.18 0.22 0.51 1.14 0.00 0.00 0.00 175.76 177.45 2pye s GLN 23 N -3.27 0.58 -0.36 0.00 1.03 -0.67 -0.84 119.66 116.13 2pye s GLN 23 Ca 0.23 0.74 0.06 0.00 0.04 0.00 0.00 55.36 56.43 2pye s GLN 23 Cb -0.04 0.26 0.49 0.00 0.03 0.00 0.00 33.01 33.74 2pye s GLN 23 CO 0.10 -0.08 1.49 -0.40 -2.54 0.00 0.00 175.29 173.85 2pye n ASP 24 N 2.98 4.08 -0.34 12.60 5.75 -1.24 -4.58 116.55 135.80 2pye n ASP 24 Ca -0.14 -3.78 0.04 0.00 -0.01 0.00 0.00 54.79 50.89 2pye n ASP 24 Cb 0.56 -0.61 0.06 0.00 -1.03 0.00 0.00 41.12 40.11 2pye n ASP 24 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2pye n MET 25 N -0.97 1.38 -3.59 0.11 2.81 -1.26 -4.51 117.12 111.09 2pye n MET 25 Ca 0.42 -1.37 -0.24 0.00 -1.81 0.00 0.00 57.70 54.71 2pye n MET 25 Cb 0.96 -1.15 0.08 0.00 -0.71 0.00 0.00 33.22 32.40 2pye n MET 25 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2pye n ASN 26 N 0.28 -6.03 -4.70 7.83 5.03 -1.26 -4.97 115.26 111.44 2pye n ASN 26 Ca 0.06 -0.55 -0.42 0.00 0.87 0.00 0.00 54.58 54.54 2pye n ASN 26 Cb 0.27 -5.03 -0.03 0.00 -1.02 0.00 0.00 39.78 33.97 2pye n ASN 26 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2pye s HIS 27 N -3.32 3.53 0.18 3.10 3.76 -1.26 -4.94 115.29 116.34 2pye s HIS 27 Ca 0.54 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 56.98 2pye s HIS 27 Cb -0.24 -3.23 0.09 0.00 1.11 0.00 0.00 32.58 30.31 2pye s HIS 27 CO 0.73 -0.45 1.46 0.93 -0.85 0.00 0.00 174.74 176.56 2pye h GLU 28 N 6.95 0.45 -5.66 1.40 3.07 -1.83 -3.44 114.58 115.52 2pye h GLU 28 Ca -0.38 -0.33 -0.58 0.00 -0.50 0.00 0.00 59.36 57.57 2pye h GLU 28 Cb 1.19 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 29.08 2pye h GLU 28 CO 0.80 0.96 -0.19 -0.47 -1.40 0.00 0.00 179.01 178.71 2pye s TYR 29 N -3.75 3.49 -0.00 4.33 5.04 -0.78 -2.45 117.35 123.22 2pye s TYR 29 Ca -0.06 0.80 -0.02 0.00 -2.44 0.00 0.00 57.07 55.35 2pye s TYR 29 Cb 0.11 -2.50 -0.00 0.00 0.35 0.00 0.00 41.96 39.91 2pye s TYR 29 CO 0.84 0.17 0.04 -1.64 -1.34 0.00 0.00 175.55 173.62 2pye s MET 30 N 0.63 0.17 0.20 4.97 -1.94 -0.92 -0.94 119.30 121.47 2pye s MET 30 Ca 0.23 -0.17 -0.15 0.00 -1.71 0.00 0.00 55.69 53.89 2pye s MET 30 Cb -0.15 0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.78 2pye s MET 30 CO 0.09 -0.03 0.47 -1.54 -0.01 0.00 0.00 175.02 174.00 2pye s SER 31 N -0.54 -0.17 -0.02 3.03 1.04 -0.02 -1.31 113.70 115.71 2pye s SER 31 Ca -0.06 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.76 2pye s SER 31 Cb -0.04 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 2pye s SER 31 CO -0.00 -1.05 -0.15 0.26 0.98 0.00 0.00 173.24 173.29 2pye s TRP 32 N -3.92 1.39 0.31 5.02 0.52 -1.01 -0.91 118.94 120.34 2pye s TRP 32 Ca 0.13 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.99 2pye s TRP 32 Cb -0.00 -0.93 -0.06 0.00 -1.15 0.00 0.00 33.47 31.33 2pye s TRP 32 CO 0.00 -0.08 -0.02 0.71 0.02 0.00 0.00 176.95 177.57 2pye s TYR 33 N -0.12 2.07 -0.00 -1.98 2.02 0.57 -1.25 117.35 118.65 2pye s TYR 33 Ca 0.01 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2pye s TYR 33 Cb -0.08 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2pye s TYR 33 CO 0.00 0.26 -0.00 -0.98 -1.57 0.00 0.00 175.55 173.27 2pye s ARG 34 N -3.75 0.07 -0.04 -0.62 1.70 -0.81 -1.97 118.95 113.52 2pye s ARG 34 Ca 0.32 0.01 -0.01 0.00 -0.47 0.00 0.00 55.73 55.58 2pye s ARG 34 Cb 0.06 -0.11 0.03 0.00 -0.57 0.00 0.00 34.95 34.35 2pye s ARG 34 CO 0.14 -0.02 0.03 -1.14 -1.08 0.00 0.00 175.30 173.24 2pye s GLN 35 N 0.19 0.15 0.57 3.89 0.74 -0.03 -2.08 119.66 123.09 2pye s GLN 35 Ca -0.02 0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.55 2pye s GLN 35 Cb -0.03 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.49 2pye s GLN 35 CO -0.01 -0.26 0.93 -0.51 -0.55 0.00 0.00 175.29 174.89 2pye s ASP 36 N 1.74 6.08 -0.29 6.67 1.01 -1.26 -2.48 116.67 128.13 2pye s ASP 36 Ca -0.00 1.11 -0.33 0.00 0.71 0.00 0.00 52.55 54.04 2pye s ASP 36 Cb -0.13 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 2pye s ASP 36 CO -0.03 -0.83 2.17 -2.65 0.21 0.00 0.00 175.17 174.03 2pye n PRO 37 N -2.57 1.40 -1.00 8.23 -0.02 -1.26 -1.51 135.00 138.27 2pye n PRO 37 Ca 0.04 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2pye n PRO 37 Cb 0.55 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2pye n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pye n GLY 38 N 6.14 0.49 3.81 -1.23 0.00 -1.26 -5.04 105.19 108.10 2pye n GLY 38 Ca 0.37 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2pye n GLY 38 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pye s MET 39 N -0.09 2.26 0.74 1.61 -1.94 -0.57 -5.14 119.30 116.17 2pye s MET 39 Ca 0.00 -1.95 -0.11 0.00 -1.71 0.00 0.00 55.69 51.92 2pye s MET 39 Cb 0.00 -2.00 0.04 0.00 2.01 0.00 0.00 34.83 34.88 2pye s MET 39 CO 0.00 -0.32 1.12 0.20 -0.01 0.00 0.00 175.02 176.00 2pye s GLY 40 N -4.05 1.62 0.19 -0.03 0.00 -1.26 -4.58 107.32 99.21 2pye s GLY 40 Ca 0.35 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2pye s GLY 40 CO 0.20 -0.07 1.03 1.08 0.00 0.00 0.00 173.10 175.35 2pye s LEU 41 N -5.42 4.54 -0.07 0.66 1.43 -1.26 -4.42 118.68 114.14 2pye s LEU 41 Ca 0.59 2.02 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 2pye s LEU 41 Cb -0.11 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2pye s LEU 41 CO 0.50 -0.09 -0.14 -0.13 0.23 0.00 0.00 176.35 176.72 2pye s ARG 42 N -0.62 1.84 0.06 1.70 0.52 -0.88 -4.98 118.95 116.58 2pye s ARG 42 Ca 0.46 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 2pye s ARG 42 Cb -0.28 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 2pye s ARG 42 CO 0.34 0.06 0.97 -1.17 0.02 0.00 0.00 175.30 175.52 2pye s LEU 43 N 0.56 4.44 -0.05 2.53 2.96 -1.26 -1.93 118.68 125.93 2pye s LEU 43 Ca -0.14 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.46 2pye s LEU 43 Cb -0.15 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2pye s LEU 43 CO 0.04 -0.15 -0.07 -0.38 -1.32 0.00 0.00 176.35 174.47 2pye n ILE 44 N 3.26 0.46 -4.14 6.68 5.41 -0.38 0.23 119.36 130.88 2pye n ILE 44 Ca 0.04 0.40 -0.11 0.00 1.00 0.00 0.00 62.75 64.08 2pye n ILE 44 Cb 0.50 -1.78 -0.08 0.00 -0.71 0.00 0.00 39.64 37.57 2pye n ILE 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2pye s HIS 45 N -1.46 0.94 0.38 1.39 3.76 -1.25 -0.45 115.29 118.60 2pye s HIS 45 Ca -0.06 -1.20 -0.14 0.00 -0.15 0.00 0.00 55.06 53.51 2pye s HIS 45 Cb 0.01 -0.34 0.05 0.00 1.11 0.00 0.00 32.58 33.41 2pye s HIS 45 CO 0.09 -0.76 0.75 1.52 -0.85 0.00 0.00 174.74 175.50 2pye s TYR 46 N -4.08 0.22 -0.23 1.40 -0.85 -0.01 -2.41 117.35 111.38 2pye s TYR 46 Ca 0.34 -0.84 -0.25 0.00 -0.52 0.00 0.00 57.07 55.80 2pye s TYR 46 Cb 0.05 0.73 0.07 0.00 0.38 0.00 0.00 41.96 43.19 2pye s TYR 46 CO 0.12 -1.52 0.68 0.45 -1.52 0.00 0.00 175.55 173.76 2pye s SER 47 N -3.09 -0.71 0.00 -0.18 0.15 -0.43 -0.42 113.70 109.04 2pye s SER 47 Ca 0.17 1.30 0.20 0.00 0.70 0.00 0.00 55.95 58.32 2pye s SER 47 Cb -0.05 1.30 0.55 0.00 -1.71 0.00 0.00 66.02 66.12 2pye s SER 47 CO 0.12 -0.28 1.46 1.33 1.20 0.00 0.00 173.24 177.08 2pye n VAL 48 N 2.51 0.99 0.00 4.45 0.24 -1.26 -2.17 118.33 123.08 2pye n VAL 48 Ca -0.15 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 2pye n VAL 48 Cb 0.55 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2pye n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pye n GLY 49 N 1.35 2.57 3.74 7.63 0.00 -1.03 -4.56 105.19 114.90 2pye n GLY 49 Ca 0.21 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2pye n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pye s ALA 50 N -2.00 3.78 0.00 4.61 0.00 -1.26 -2.70 121.76 124.20 2pye s ALA 50 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2pye s ALA 50 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2pye s ALA 50 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2pye n GLY 51 N 2.49 0.53 3.19 0.00 0.00 0.99 -5.00 105.19 107.39 2pye n GLY 51 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2pye n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pye s THR 52 N -2.19 0.09 0.17 2.61 -1.32 -1.10 -5.06 115.64 108.84 2pye s THR 52 Ca 0.00 -0.71 -0.11 0.00 -1.21 0.00 0.00 61.69 59.66 2pye s THR 52 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2pye s THR 52 CO 0.00 -0.39 0.34 0.42 -2.21 0.00 0.00 174.62 172.78 2pye s THR 53 N -1.95 0.06 0.04 5.08 -4.23 -1.26 -4.37 115.64 109.01 2pye s THR 53 Ca -0.10 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 2pye s THR 53 Cb -0.04 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.04 2pye s THR 53 CO -0.00 -0.26 0.22 -1.81 -0.54 0.00 0.00 174.62 172.23 2pye s ASP 54 N -2.94 -0.01 0.14 3.99 1.01 0.44 -4.96 116.67 114.34 2pye s ASP 54 Ca 0.15 -0.33 -0.19 0.00 0.71 0.00 0.00 52.55 52.89 2pye s ASP 54 Cb 0.02 0.31 -0.07 0.00 1.01 0.00 0.00 42.92 44.19 2pye s ASP 54 CO -0.01 -0.58 0.63 -1.10 0.21 0.00 0.00 175.17 174.32 2pye s GLN 55 N -2.62 4.22 0.00 8.23 -0.21 -1.26 -0.83 119.66 127.18 2pye s GLN 55 Ca -0.05 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.11 2pye s GLN 55 Cb -0.01 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.92 2pye s GLN 55 CO -0.04 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 2pye n GLY 56 N 1.25 2.19 0.26 3.09 0.00 0.41 -4.85 105.19 107.52 2pye n GLY 56 Ca -0.07 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 2pye n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pye h GLU 57 N 0.00 0.86 -2.67 1.61 4.81 -0.42 -3.40 114.58 115.37 2pye h GLU 57 Ca 0.00 -0.46 -0.60 0.00 -0.13 0.00 0.00 59.36 58.17 2pye h GLU 57 Cb 0.00 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 29.00 2pye h GLU 57 CO 0.00 1.10 -0.80 0.14 -0.73 0.00 0.00 179.01 178.71 2pye s VAL 58 N -4.34 1.41 -0.20 0.32 -7.23 0.42 -4.95 120.40 105.83 2pye s VAL 58 Ca -0.10 -3.32 0.17 0.00 -1.81 0.00 0.00 61.98 56.92 2pye s VAL 58 Cb 0.11 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 35.16 2pye s VAL 58 CO 0.87 -1.13 1.30 1.55 -0.31 0.00 0.00 175.10 177.37 2pye h PRO 59 N 5.56 0.00 -6.62 4.82 0.13 -1.77 -3.40 132.00 130.73 2pye h PRO 59 Ca 0.21 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.82 2pye h PRO 59 Cb 0.85 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.03 2pye h PRO 59 CO 0.52 0.33 1.04 0.09 -0.23 0.00 0.00 178.00 179.75 2pye n ASN 60 N -3.08 4.01 0.00 1.44 5.03 -1.26 -2.14 115.26 119.26 2pye n ASN 60 Ca -0.00 1.04 0.00 0.00 0.87 0.00 0.00 54.58 56.49 2pye n ASN 60 Cb 0.71 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.90 2pye n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pye n GLY 61 N 4.03 1.28 3.42 7.41 0.00 -1.26 -5.04 105.19 115.03 2pye n GLY 61 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2pye n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pye s TYR 62 N -2.48 2.31 -0.01 1.61 2.02 -0.91 -2.77 117.35 117.10 2pye s TYR 62 Ca 0.00 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2pye s TYR 62 Cb 0.00 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 2pye s TYR 62 CO 0.00 0.49 0.05 -0.80 -1.57 0.00 0.00 175.55 173.72 2pye s ASN 63 N -2.62 -0.01 0.08 2.29 0.02 -0.67 -4.98 114.94 109.06 2pye s ASN 63 Ca 0.20 0.01 0.02 0.00 -1.02 0.00 0.00 52.86 52.07 2pye s ASN 63 Cb -0.08 0.12 -0.04 0.00 0.02 0.00 0.00 41.25 41.27 2pye s ASN 63 CO 0.09 -0.08 -0.07 0.68 0.02 0.00 0.00 177.10 177.74 2pye s VAL 64 N -0.28 0.61 0.11 1.60 -7.23 -1.26 -0.29 120.40 113.67 2pye s VAL 64 Ca -0.03 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2pye s VAL 64 Cb -0.02 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2pye s VAL 64 CO 0.00 -0.75 -0.08 -0.94 -0.31 0.00 0.00 175.10 173.02 2pye s SER 65 N -2.64 1.36 -0.44 4.85 1.04 -1.24 -5.05 113.70 111.58 2pye s SER 65 Ca 0.06 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.59 2pye s SER 65 Cb 0.01 0.05 0.24 0.00 0.10 0.00 0.00 66.02 66.43 2pye s SER 65 CO -0.04 -0.39 0.68 -1.14 0.98 0.00 0.00 173.24 173.33 2pye n ARG 66 N 0.03 0.73 0.19 4.02 3.00 -1.26 -3.93 116.66 119.43 2pye n ARG 66 Ca -0.12 -2.55 0.08 0.00 -0.00 0.00 0.00 57.85 55.25 2pye n ARG 66 Cb 0.60 -1.34 0.12 0.00 0.00 0.00 0.00 32.46 31.84 2pye n ARG 66 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2pye h SER 67 N 4.04 0.00 -4.60 6.15 4.64 -1.94 0.28 113.55 122.13 2pye h SER 67 Ca -0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 2pye h SER 67 Cb 0.95 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.89 2pye h SER 67 CO 0.40 0.22 -0.67 0.42 -0.87 0.00 0.00 176.83 176.33 2pye s THR 68 N -3.11 0.63 0.12 2.95 -4.23 -1.26 -4.65 115.64 106.08 2pye s THR 68 Ca 0.06 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 58.77 2pye s THR 68 Cb 0.06 -2.02 0.11 0.00 1.34 0.00 0.00 72.50 71.98 2pye s THR 68 CO 0.70 -0.56 1.67 -0.29 -0.54 0.00 0.00 174.62 175.60 2pye h ILE 69 N 2.76 0.93 -0.05 2.99 2.10 -1.95 -3.31 117.51 120.98 2pye h ILE 69 Ca -0.36 -1.72 -0.18 0.00 1.08 0.00 0.00 64.86 63.67 2pye h ILE 69 Cb 1.20 2.05 -0.01 0.00 -1.09 0.00 0.00 36.82 38.97 2pye h ILE 69 CO 0.63 0.42 -0.76 -0.33 -1.08 0.00 0.00 178.15 177.02 2pye h GLU 70 N 0.00 0.33 -6.71 2.19 3.07 -1.92 -3.45 114.58 108.09 2pye h GLU 70 Ca -0.00 -0.29 -0.68 0.00 -0.50 0.00 0.00 59.36 57.89 2pye h GLU 70 Cb 1.02 0.07 -0.19 0.00 -0.84 0.00 0.00 28.75 28.80 2pye h GLU 70 CO 0.06 0.95 -0.80 -0.51 -1.40 0.00 0.00 179.01 177.30 2pye s ASP 71 N -6.96 3.90 -0.45 1.42 -0.00 -1.25 -1.67 116.67 111.66 2pye s ASP 71 Ca -0.05 -0.55 0.06 0.00 -0.00 0.00 0.00 52.55 52.02 2pye s ASP 71 Cb 0.10 -0.56 0.20 0.00 -0.00 0.00 0.00 42.92 42.67 2pye s ASP 71 CO 0.83 0.18 0.57 0.33 -0.00 0.00 0.00 175.17 177.08 2pye n PHE 72 N 0.84 -1.93 -1.49 4.23 7.35 -0.67 -4.61 117.46 121.17 2pye n PHE 72 Ca -0.16 -2.63 -0.32 0.00 -0.76 0.00 0.00 57.45 53.59 2pye n PHE 72 Cb 0.53 0.64 0.07 0.00 0.35 0.00 0.00 39.48 41.07 2pye n PHE 72 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2pye s PRO 73 N 0.08 2.45 -0.05 -7.13 0.04 -1.25 -4.27 135.00 124.87 2pye s PRO 73 Ca 0.33 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2pye s PRO 73 Cb 0.09 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2pye s PRO 73 CO -0.15 -1.52 -0.16 -1.17 0.04 0.00 0.00 177.00 174.05 2pye s LEU 74 N -5.37 1.85 -0.08 -3.56 2.96 -0.39 -3.70 118.68 110.39 2pye s LEU 74 Ca 0.65 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 2pye s LEU 74 Cb -0.20 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2pye s LEU 74 CO 0.48 0.12 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.80 2pye s ARG 75 N 0.23 2.76 -0.27 1.98 6.06 0.61 -0.08 118.95 130.23 2pye s ARG 75 Ca -0.08 -0.84 -0.11 0.00 -2.50 0.00 0.00 55.73 52.21 2pye s ARG 75 Cb -0.13 -2.16 -0.05 0.00 0.06 0.00 0.00 34.95 32.67 2pye s ARG 75 CO 0.03 0.22 0.18 -0.51 -2.50 0.00 0.00 175.30 172.72 2pye s LEU 76 N 0.23 4.03 0.02 -0.88 1.02 -0.13 -1.66 118.68 121.30 2pye s LEU 76 Ca -0.14 0.02 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 2pye s LEU 76 Cb -0.16 -2.11 -0.19 0.00 0.02 0.00 0.00 46.19 43.75 2pye s LEU 76 CO 0.07 -0.02 1.21 -0.07 0.02 0.00 0.00 176.35 177.56 2pye h LEU 77 N 8.11 0.43 -6.48 1.79 -0.00 -1.82 -2.70 115.31 114.64 2pye h LEU 77 Ca -0.36 -0.63 -0.31 0.00 -0.00 0.00 0.00 57.88 56.58 2pye h LEU 77 Cb 1.18 -0.13 -0.33 0.00 -0.00 0.00 0.00 40.66 41.39 2pye h LEU 77 CO 0.58 0.99 -0.62 -0.55 -0.00 0.00 0.00 178.44 178.84 2pye s SER 78 N -6.40 1.50 0.22 -0.43 0.15 -1.26 -4.18 113.70 103.29 2pye s SER 78 Ca -0.14 -0.70 -0.32 0.00 0.70 0.00 0.00 55.95 55.49 2pye s SER 78 Cb 0.04 0.59 -0.13 0.00 -1.71 0.00 0.00 66.02 64.81 2pye s SER 78 CO 0.78 -0.38 1.48 0.00 1.20 0.00 0.00 173.24 176.31 2pye n ALA 79 N 5.32 1.29 -2.54 5.45 0.00 0.62 -4.68 120.51 125.96 2pye n ALA 79 Ca -0.02 0.42 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 2pye n ALA 79 Cb 0.47 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 2pye n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pye s ALA 80 N 0.28 1.53 0.53 0.00 0.00 -1.26 -0.96 121.76 121.88 2pye s ALA 80 Ca 0.72 -0.97 0.37 0.00 0.00 0.00 0.00 51.96 52.07 2pye s ALA 80 Cb -0.65 -0.28 1.53 0.00 0.00 0.00 0.00 23.12 23.72 2pye s ALA 80 CO 0.45 0.33 1.77 -1.35 0.00 0.00 0.00 175.76 176.96 2pye h PRO 81 N 4.89 0.04 0.00 0.00 0.11 -1.94 0.33 132.00 135.42 2pye h PRO 81 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2pye h PRO 81 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2pye h PRO 81 CO 0.44 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 178.91 2pye h SER 82 N 0.04 0.00 0.39 -2.05 4.64 -1.96 -2.85 113.55 111.76 2pye h SER 82 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2pye h SER 82 Cb 2.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.49 2pye h SER 82 CO -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.78 2pye n GLN 83 N -2.34 0.63 -1.64 4.77 6.02 0.12 -4.84 117.38 120.11 2pye n GLN 83 Ca 0.02 -0.23 -0.44 0.00 -0.01 0.00 0.00 57.00 56.33 2pye n GLN 83 Cb 0.23 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 2pye n GLN 83 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2pye n THR 84 N -0.98 0.58 -3.87 5.09 -1.04 -1.08 -4.85 114.28 108.13 2pye n THR 84 Ca 0.13 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2pye n THR 84 Cb 0.29 -2.23 0.01 0.00 -1.82 0.00 0.00 70.33 66.58 2pye n THR 84 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2pye n SER 85 N 8.57 -1.04 -4.39 8.00 2.88 -0.57 -4.94 113.62 122.13 2pye n SER 85 Ca 0.25 -1.39 -0.36 0.00 -1.33 0.00 0.00 58.87 56.04 2pye n SER 85 Cb 0.38 1.65 -0.13 0.00 -0.75 0.00 0.00 64.21 65.35 2pye n SER 85 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pye s VAL 86 N -2.12 3.86 -0.30 2.46 1.01 -1.03 -1.60 120.40 122.67 2pye s VAL 86 Ca 0.19 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2pye s VAL 86 Cb -0.01 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2pye s VAL 86 CO 0.02 0.39 0.18 -0.31 0.00 0.00 0.00 175.10 175.38 2pye s TYR 87 N 1.43 3.19 -0.14 5.22 1.51 0.35 -0.85 117.35 128.06 2pye s TYR 87 Ca 0.05 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2pye s TYR 87 Cb -0.15 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 2pye s TYR 87 CO 0.01 -0.33 -0.07 -0.06 -1.11 0.00 0.00 175.55 173.99 2pye s PHE 88 N 1.69 2.96 -0.09 2.71 0.08 -0.83 -1.01 117.98 123.49 2pye s PHE 88 Ca 0.06 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.68 2pye s PHE 88 Cb -0.17 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2pye s PHE 88 CO 0.09 -0.04 0.19 0.00 -0.10 0.00 0.00 175.22 175.35 2pye s ALA 90 N -1.08 -0.53 0.40 0.00 0.00 -0.09 -0.95 121.76 119.51 2pye s ALA 90 Ca 0.18 0.95 0.08 0.00 0.00 0.00 0.00 51.96 53.17 2pye s ALA 90 Cb -0.13 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 2pye s ALA 90 CO 0.07 -0.32 0.05 -1.54 0.00 0.00 0.00 175.76 174.02 2pye s SER 91 N 1.57 4.05 -0.03 0.00 1.04 -0.85 -0.84 113.70 118.65 2pye s SER 91 Ca -0.06 -1.23 -0.31 0.00 0.48 0.00 0.00 55.95 54.83 2pye s SER 91 Cb -0.11 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 65.69 2pye s SER 91 CO -0.08 -0.43 1.19 -0.94 0.98 0.00 0.00 173.24 173.96 2pye s SER 92 N -3.75 -0.12 0.50 7.02 1.04 -0.12 -0.90 113.70 117.37 2pye s SER 92 Ca 0.36 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.56 2pye s SER 92 Cb 0.06 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 2pye s SER 92 CO 0.19 -0.40 0.87 -0.31 0.98 0.00 0.00 173.24 174.57 2pye s TYR 93 N -2.61 3.54 -0.78 5.02 2.02 -1.26 -1.87 117.35 121.41 2pye s TYR 93 Ca 0.12 1.08 0.02 0.00 -0.37 0.00 0.00 57.07 57.92 2pye s TYR 93 Cb 0.02 -2.51 0.33 0.00 -0.40 0.00 0.00 41.96 39.40 2pye s TYR 93 CO -0.03 -0.35 1.36 1.28 -1.57 0.00 0.00 175.55 176.23 2pye n LEU 94 N -2.06 5.83 0.00 -1.29 4.77 -1.26 -4.46 117.00 118.53 2pye n LEU 94 Ca 0.03 -5.54 0.00 0.00 -0.03 0.00 0.00 56.01 50.47 2pye n LEU 94 Cb 0.54 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2pye n LEU 94 CO 0.52 2.21 0.00 0.61 -1.33 0.00 0.00 177.39 179.41 2pye n GLY 95 N -0.17 -0.93 7.00 -0.72 0.00 -1.26 -5.07 105.19 104.03 2pye n GLY 95 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2pye n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pye n ASN 96 N 0.89 0.00 0.13 1.61 4.05 -1.26 -1.74 115.26 118.94 2pye n ASN 96 Ca 0.00 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.09 2pye n ASN 96 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 2pye n ASN 96 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2pye h THR 97 N 0.00 0.45 -0.46 -0.44 1.35 -2.01 -3.47 112.91 108.33 2pye h THR 97 Ca 0.00 -1.69 -0.15 0.00 -0.55 0.00 0.00 66.41 64.03 2pye h THR 97 Cb 0.00 2.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 2pye h THR 97 CO 0.00 0.25 -0.14 0.61 -0.25 0.00 0.00 175.52 175.99 2pye n GLY 98 N 1.22 0.80 3.76 5.82 0.00 -0.71 -4.97 105.19 111.10 2pye n GLY 98 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 2pye n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pye s GLU 99 N -2.89 4.28 -0.09 1.61 2.12 -1.26 -4.81 118.70 117.65 2pye s GLU 99 Ca 0.00 2.30 -0.18 0.00 0.36 0.00 0.00 54.97 57.45 2pye s GLU 99 Cb 0.00 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2pye s GLU 99 CO 0.00 -0.35 0.48 -1.17 -0.54 0.00 0.00 175.26 173.67 2pye s LEU 100 N -1.02 4.31 -0.30 2.70 2.96 -1.26 -4.37 118.68 121.69 2pye s LEU 100 Ca 0.55 0.86 -0.00 0.00 -0.22 0.00 0.00 54.13 55.32 2pye s LEU 100 Cb -0.42 -2.70 0.06 0.00 0.50 0.00 0.00 46.19 43.64 2pye s LEU 100 CO 0.49 0.05 -0.01 -0.36 -1.32 0.00 0.00 176.35 175.20 2pye s PHE 101 N 0.33 3.31 0.13 5.38 0.40 -0.08 -4.99 117.98 122.46 2pye s PHE 101 Ca 0.26 -2.07 -0.20 0.00 -0.60 0.00 0.00 56.93 54.32 2pye s PHE 101 Cb -0.16 -2.18 -0.07 0.00 0.51 0.00 0.00 43.02 41.12 2pye s PHE 101 CO 0.11 -0.84 0.64 -0.06 0.70 0.00 0.00 175.22 175.77 2pye s PHE 102 N 1.19 3.78 0.90 0.36 0.40 -1.26 -2.01 117.98 121.34 2pye s PHE 102 Ca -0.04 1.34 -0.14 0.00 -0.60 0.00 0.00 56.93 57.49 2pye s PHE 102 Cb -0.20 -2.56 0.15 0.00 0.51 0.00 0.00 43.02 40.93 2pye s PHE 102 CO -0.02 0.51 1.26 0.20 0.70 0.00 0.00 175.22 177.87 2pye s GLY 103 N -1.29 1.71 0.59 4.36 0.00 -0.13 -4.87 107.32 107.70 2pye s GLY 103 Ca 0.34 -1.01 0.39 0.00 0.00 0.00 0.00 44.72 44.43 2pye s GLY 103 CO 0.21 -0.35 2.16 0.83 0.00 0.00 0.00 173.10 175.95 2pye h GLU 104 N -1.41 0.00 0.00 2.90 5.08 -1.90 -3.45 114.58 115.81 2pye h GLU 104 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2pye h GLU 104 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2pye h GLU 104 CO 0.48 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 2pye n GLY 105 N -0.55 1.81 3.00 -3.84 0.00 -1.26 -5.05 105.19 99.30 2pye n GLY 105 Ca -0.01 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 2pye n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pye s SER 106 N -0.23 2.42 -0.39 1.61 0.01 -0.18 -4.67 113.70 112.27 2pye s SER 106 Ca 0.00 -0.41 -0.15 0.00 1.31 0.00 0.00 55.95 56.70 2pye s SER 106 Cb 0.00 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.20 2pye s SER 106 CO 0.00 -0.04 0.34 -0.60 0.41 0.00 0.00 173.24 173.34 2pye s ARG 107 N 1.32 3.16 -0.13 12.44 3.00 0.15 -0.49 118.95 138.40 2pye s ARG 107 Ca -0.00 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.73 53.90 2pye s ARG 107 Cb -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 34.95 30.87 2pye s ARG 107 CO -0.06 -0.70 -0.10 -0.51 0.00 0.00 0.00 175.30 173.93 2pye s LEU 108 N 1.85 2.91 -0.18 -0.88 2.01 -0.63 -1.07 118.68 122.70 2pye s LEU 108 Ca 0.08 -0.24 0.00 0.00 0.01 0.00 0.00 54.13 53.98 2pye s LEU 108 Cb -0.18 -1.67 0.04 0.00 0.01 0.00 0.00 46.19 44.40 2pye s LEU 108 CO 0.11 0.19 -0.07 -0.89 1.01 0.00 0.00 176.35 176.70 2pye s THR 109 N 0.24 1.32 -0.27 5.49 2.01 -0.91 -1.51 115.64 122.00 2pye s THR 109 Ca -0.07 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.01 2pye s THR 109 Cb -0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2pye s THR 109 CO 0.04 0.14 0.34 -0.69 -0.69 0.00 0.00 174.62 173.76 2pye s VAL 110 N 1.54 5.20 0.09 3.82 1.01 -1.26 -2.35 120.40 128.45 2pye s VAL 110 Ca -0.00 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2pye s VAL 110 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2pye s VAL 110 CO -0.08 0.17 -0.05 -0.76 0.00 0.00 0.00 175.10 174.38 2pye s LEU 111 N 2.01 3.24 0.03 3.92 1.02 0.12 -4.39 118.68 124.63 2pye s LEU 111 Ca 0.13 -0.28 -0.17 0.00 0.02 0.00 0.00 54.13 53.83 2pye s LEU 111 Cb -0.16 -1.99 -0.28 0.00 0.02 0.00 0.00 46.19 43.77 2pye s LEU 111 CO 0.10 0.18 1.07 -0.08 0.02 0.00 0.00 176.35 177.64 2pye h GLU 112 N 3.57 0.53 -4.27 1.70 4.57 -1.95 -0.98 114.58 117.75 2pye h GLU 112 Ca -0.48 -0.70 -0.50 0.00 -1.18 0.00 0.00 59.36 56.49 2pye h GLU 112 Cb 1.17 0.23 -0.35 0.00 -0.16 0.00 0.00 28.75 29.63 2pye h GLU 112 CO 0.56 1.30 -0.80 0.34 -1.18 0.00 0.00 179.01 179.23 2pye s ASP 113 N -7.21 1.85 0.00 1.04 -1.08 -1.26 -4.62 116.67 105.39 2pye s ASP 113 Ca -0.11 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 51.80 2pye s ASP 113 Cb 0.04 -0.76 0.85 0.00 -1.46 0.00 0.00 42.92 41.59 2pye s ASP 113 CO 0.89 -0.07 1.55 0.18 0.52 0.00 0.00 175.17 178.24 2pye n LEU 114 N 4.47 0.00 -0.09 -1.34 4.77 -1.26 -3.37 117.00 120.18 2pye n LEU 114 Ca -0.17 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 55.95 2pye n LEU 114 Cb 0.51 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.29 2pye n LEU 114 CO 0.20 0.00 0.95 0.29 -1.33 0.00 0.00 177.39 177.49 2pye n LYS 115 N -0.72 0.72 -0.06 3.23 5.02 -1.26 -3.36 118.16 121.72 2pye n LYS 115 Ca 0.11 -0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.34 2pye n LYS 115 Cb 0.05 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 33.91 2pye n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pye n ASN 116 N -0.99 2.17 -4.67 4.39 3.02 -1.22 -4.89 115.26 113.07 2pye n ASN 116 Ca 0.16 -1.75 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 2pye n ASN 116 Cb 0.25 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 2pye n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pye s VAL 117 N -1.85 4.94 0.01 2.41 1.01 -1.21 -4.71 120.40 120.99 2pye s VAL 117 Ca 0.34 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.82 2pye s VAL 117 Cb 0.20 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2pye s VAL 117 CO 0.30 0.07 -0.09 -0.36 0.00 0.00 0.00 175.10 175.01 2pye s PHE 118 N 2.01 0.81 0.61 5.22 0.08 -0.15 -4.78 117.98 121.78 2pye s PHE 118 Ca 0.35 -0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.13 2pye s PHE 118 Cb -0.16 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.80 2pye s PHE 118 CO 0.12 -0.01 0.92 -1.25 -0.10 0.00 0.00 175.22 174.89 2pye s PRO 119 N -0.50 2.70 0.57 0.24 0.04 -1.26 -0.85 135.00 135.94 2pye s PRO 119 Ca 0.01 -0.14 -0.08 0.00 0.04 0.00 0.00 61.00 60.84 2pye s PRO 119 Cb -0.05 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 2pye s PRO 119 CO 0.00 -0.84 0.91 -1.25 0.04 0.00 0.00 177.00 175.86 2pye s PRO 120 N -5.03 3.35 -0.11 0.56 0.04 -1.26 -4.24 135.00 128.31 2pye s PRO 120 Ca 0.56 0.34 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 2pye s PRO 120 Cb -0.11 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2pye s PRO 120 CO 0.44 -0.50 -0.05 -1.21 0.04 0.00 0.00 177.00 175.72 2pye s GLU 121 N -4.98 3.16 -0.02 4.56 2.02 -0.52 -4.92 118.70 118.00 2pye s GLU 121 Ca 0.52 -0.53 0.06 0.00 0.02 0.00 0.00 54.97 55.05 2pye s GLU 121 Cb -0.11 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2pye s GLU 121 CO 0.48 0.49 -0.22 0.08 0.02 0.00 0.00 175.26 176.11 2pye s VAL 122 N -0.32 1.71 -0.00 2.63 1.01 -1.26 -1.26 120.40 122.91 2pye s VAL 122 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 2pye s VAL 122 Cb -0.12 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2pye s VAL 122 CO 0.02 0.49 0.07 0.00 0.00 0.00 0.00 175.10 175.67 2pye s ALA 123 N -0.45 -0.14 -0.09 5.51 0.00 -0.86 -4.65 121.76 121.08 2pye s ALA 123 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2pye s ALA 123 Cb -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2pye s ALA 123 CO -0.00 -0.13 -0.24 0.08 0.00 0.00 0.00 175.76 175.47 2pye s VAL 124 N -0.89 2.11 -0.14 0.00 1.01 -1.26 -0.33 120.40 120.89 2pye s VAL 124 Ca -0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2pye s VAL 124 Cb -0.06 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2pye s VAL 124 CO 0.00 0.56 -0.02 -0.36 0.00 0.00 0.00 175.10 175.28 2pye s PHE 125 N 0.22 3.06 0.47 5.22 0.40 -0.12 -4.99 117.98 122.25 2pye s PHE 125 Ca -0.15 -0.18 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 2pye s PHE 125 Cb -0.17 -1.94 -0.09 0.00 0.51 0.00 0.00 43.02 41.33 2pye s PHE 125 CO 0.08 0.07 0.99 -1.21 0.70 0.00 0.00 175.22 175.85 2pye s GLU 126 N 0.14 3.98 0.35 0.44 2.02 -1.26 -2.46 118.70 121.92 2pye s GLU 126 Ca -0.00 1.20 -0.27 0.00 0.02 0.00 0.00 54.97 55.92 2pye s GLU 126 Cb -0.13 -2.13 -0.12 0.00 0.10 0.00 0.00 34.13 31.84 2pye s GLU 126 CO 0.02 -0.26 1.24 -2.30 0.02 0.00 0.00 175.26 173.99 2pye n PRO 127 N -0.94 1.98 -2.56 0.39 -0.02 -1.24 -4.94 135.00 127.67 2pye n PRO 127 Ca 0.08 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2pye n PRO 127 Cb 0.53 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2pye n PRO 127 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2pye s SER 128 N -0.39 7.34 0.46 2.55 0.15 -1.26 -4.94 113.70 117.61 2pye s SER 128 Ca 0.57 2.10 0.19 0.00 0.70 0.00 0.00 55.95 59.51 2pye s SER 128 Cb -0.57 -2.61 1.12 0.00 -1.71 0.00 0.00 66.02 62.25 2pye s SER 128 CO 0.61 -0.13 1.99 1.05 1.20 0.00 0.00 173.24 177.97 2pye h GLU 129 N 4.64 0.00 -0.24 5.44 4.11 -1.99 -1.64 114.58 124.89 2pye h GLU 129 Ca -0.45 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.92 2pye h GLU 129 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2pye h GLU 129 CO 0.70 0.19 -0.11 0.00 0.07 0.00 0.00 179.01 179.86 2pye h ALA 130 N 1.81 1.37 0.01 1.06 0.00 -1.99 0.18 119.26 121.70 2pye h ALA 130 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pye h ALA 130 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pye h ALA 130 CO 0.02 0.43 -0.01 1.49 0.00 0.00 0.00 179.25 181.19 2pye h GLU 131 N 0.37 -0.02 -0.17 0.00 4.81 -1.66 -2.35 114.58 115.56 2pye h GLU 131 Ca 0.07 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2pye h GLU 131 Cb 0.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2pye h GLU 131 CO 0.02 0.43 -0.07 0.82 -0.73 0.00 0.00 179.01 179.49 2pye h ILE 132 N -0.48 0.77 -0.16 2.32 2.04 -1.11 0.13 117.51 121.02 2pye h ILE 132 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2pye h ILE 132 Cb 0.46 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2pye h ILE 132 CO 0.00 0.00 -0.17 0.77 0.00 0.00 0.00 178.15 178.76 2pye h SER 133 N -0.04 0.25 0.41 1.72 4.64 -0.71 -0.43 113.55 119.39 2pye h SER 133 Ca 0.09 -0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 61.04 2pye h SER 133 Cb 0.17 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2pye h SER 133 CO -0.20 0.44 -1.64 0.45 -0.87 0.00 0.00 176.83 175.01 2pye h HIS 134 N 0.24 0.37 0.00 4.77 3.86 -1.04 -3.42 115.15 119.93 2pye h HIS 134 Ca 0.05 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 58.97 2pye h HIS 134 Cb 0.44 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 2pye h HIS 134 CO 0.01 1.38 -1.35 0.25 0.86 0.00 0.00 177.93 179.08 2pye n THR 135 N -3.38 0.07 -1.36 2.45 -2.24 0.40 -5.01 114.28 105.21 2pye n THR 135 Ca -0.19 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 2pye n THR 135 Cb 1.04 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 2pye n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pye n GLN 136 N -1.82 -0.60 -4.41 -0.78 6.02 -0.17 -5.01 117.38 110.62 2pye n GLN 136 Ca -0.03 0.75 -0.20 0.00 -0.01 0.00 0.00 57.00 57.51 2pye n GLN 136 Cb 0.26 -4.62 -0.10 0.00 1.02 0.00 0.00 30.24 26.79 2pye n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2pye s LYS 137 N -2.92 1.50 -0.11 -1.09 1.02 -1.26 -0.91 119.74 115.97 2pye s LYS 137 Ca 0.00 -1.77 -0.04 0.00 0.02 0.00 0.00 55.97 54.18 2pye s LYS 137 Cb 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 37.83 36.36 2pye s LYS 137 CO 0.00 -0.01 0.22 0.00 -0.92 0.00 0.00 175.35 174.64 2pye s ALA 138 N -3.13 -0.41 -0.23 5.17 0.00 0.15 -3.52 121.76 119.79 2pye s ALA 138 Ca 0.30 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 53.00 2pye s ALA 138 Cb 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2pye s ALA 138 CO 0.11 -0.49 0.05 0.99 0.00 0.00 0.00 175.76 176.42 2pye s THR 139 N 2.05 4.32 0.18 0.00 2.01 -1.26 -1.61 115.64 121.33 2pye s THR 139 Ca -0.01 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 2pye s THR 139 Cb -0.12 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2pye s THR 139 CO -0.07 0.38 0.40 -0.76 -0.69 0.00 0.00 174.62 173.87 2pye s LEU 140 N 1.26 4.23 -0.05 4.42 1.02 -0.06 -3.66 118.68 125.85 2pye s LEU 140 Ca 0.04 0.52 0.02 0.00 0.02 0.00 0.00 54.13 54.73 2pye s LEU 140 Cb -0.15 -3.27 0.01 0.00 0.02 0.00 0.00 46.19 42.81 2pye s LEU 140 CO 0.03 -0.01 -0.10 -0.69 0.02 0.00 0.00 176.35 175.61 2pye s VAL 141 N -1.78 0.91 -0.08 -1.59 1.01 -1.03 -1.84 120.40 116.00 2pye s VAL 141 Ca 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2pye s VAL 141 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2pye s VAL 141 CO 0.27 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.69 2pye s LEU 143 N -1.02 0.98 -0.25 0.00 2.96 0.55 -1.82 118.68 120.08 2pye s LEU 143 Ca 0.15 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2pye s LEU 143 Cb -0.11 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 2pye s LEU 143 CO 0.04 -0.28 0.14 0.00 -1.32 0.00 0.00 176.35 174.93 2pye s ALA 144 N 1.90 3.46 0.14 5.97 0.00 -0.29 -2.03 121.76 130.91 2pye s ALA 144 Ca 0.01 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2pye s ALA 144 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2pye s ALA 144 CO -0.07 -0.34 -0.11 0.95 0.00 0.00 0.00 175.76 176.19 2pye s THR 145 N 1.35 1.18 -1.31 0.00 -4.23 -0.39 -0.41 115.64 111.83 2pye s THR 145 Ca 0.07 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2pye s THR 145 Cb -0.15 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2pye s THR 145 CO 0.06 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 2pye n GLY 146 N -0.03 0.16 3.87 3.99 0.00 0.11 -1.44 105.19 111.85 2pye n GLY 146 Ca -0.11 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2pye n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pye s PHE 147 N -2.68 3.59 -0.24 1.61 -0.71 -0.94 -4.51 117.98 114.10 2pye s PHE 147 Ca 0.00 0.70 -0.12 0.00 -1.04 0.00 0.00 56.93 56.48 2pye s PHE 147 Cb 0.00 -2.09 0.08 0.00 -1.21 0.00 0.00 43.02 39.80 2pye s PHE 147 CO 0.00 0.57 0.56 -0.47 -1.34 0.00 0.00 175.22 174.53 2pye s TYR 148 N -1.34 -0.93 0.55 3.49 5.04 -0.03 0.11 117.35 124.25 2pye s TYR 148 Ca 0.30 1.81 -0.07 0.00 -2.44 0.00 0.00 57.07 56.67 2pye s TYR 148 Cb -0.14 0.50 0.12 0.00 0.35 0.00 0.00 41.96 42.80 2pye s TYR 148 CO 0.17 -0.49 0.75 -0.35 -1.34 0.00 0.00 175.55 174.29 2pye n PRO 149 N 4.64 -0.50 -1.11 4.97 -0.04 -1.26 -0.98 135.00 140.71 2pye n PRO 149 Ca -0.18 -1.38 -0.36 0.00 -0.04 0.00 0.00 63.50 61.54 2pye n PRO 149 Cb 0.55 -0.71 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 2pye n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2pye n ASP 150 N -3.35 3.83 -3.71 3.54 2.03 -1.26 -4.69 116.55 112.94 2pye n ASP 150 Ca 0.10 -2.58 -0.28 0.00 0.52 0.00 0.00 54.79 52.55 2pye n ASP 150 Cb 0.36 -1.21 -0.10 0.00 -0.72 0.00 0.00 41.12 39.44 2pye n ASP 150 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2pye n HIS 151 N 6.03 3.34 -4.15 -0.67 8.25 -1.26 -5.07 115.22 121.70 2pye n HIS 151 Ca 0.50 -4.24 -0.16 0.00 -0.26 0.00 0.00 57.72 53.56 2pye n HIS 151 Cb 0.31 -0.59 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 2pye n HIS 151 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2pye s VAL 152 N -1.84 0.97 -0.16 1.59 -7.23 -1.26 -2.05 120.40 110.41 2pye s VAL 152 Ca 0.31 -1.33 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2pye s VAL 152 Cb 0.03 -1.04 0.05 0.00 0.56 0.00 0.00 36.38 35.99 2pye s VAL 152 CO -0.11 -0.33 0.05 -1.61 -0.31 0.00 0.00 175.10 172.80 2pye s GLU 153 N -1.93 0.40 -0.10 4.82 2.02 -0.81 -4.99 118.70 118.12 2pye s GLU 153 Ca -0.02 -0.18 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 2pye s GLU 153 Cb -0.09 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 2pye s GLU 153 CO 0.02 -0.58 0.05 -1.17 0.02 0.00 0.00 175.26 173.60 2pye s LEU 154 N 1.99 3.87 0.14 1.80 0.20 -1.26 -1.11 118.68 124.31 2pye s LEU 154 Ca 0.01 0.26 -0.07 0.00 0.69 0.00 0.00 54.13 55.02 2pye s LEU 154 Cb -0.16 -1.91 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2pye s LEU 154 CO -0.08 0.39 0.21 -0.94 -0.29 0.00 0.00 176.35 175.64 2pye s SER 155 N -0.93 0.13 -0.10 3.68 1.04 -0.40 -5.00 113.70 112.11 2pye s SER 155 Ca 0.14 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.71 2pye s SER 155 Cb -0.12 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2pye s SER 155 CO 0.03 -0.81 -0.18 0.26 0.98 0.00 0.00 173.24 173.51 2pye s TRP 156 N -3.96 2.67 -0.28 5.02 0.52 -1.26 -1.66 118.94 119.99 2pye s TRP 156 Ca 0.15 -0.73 0.02 0.00 0.02 0.00 0.00 56.10 55.56 2pye s TRP 156 Cb 0.05 -1.75 0.08 0.00 -1.15 0.00 0.00 33.47 30.70 2pye s TRP 156 CO -0.03 -0.23 -0.02 -1.58 0.02 0.00 0.00 176.95 175.11 2pye s TRP 157 N 0.16 2.89 -0.36 -1.98 0.52 0.65 -0.65 118.94 120.17 2pye s TRP 157 Ca -0.10 -2.24 -0.13 0.00 0.02 0.00 0.00 56.10 53.65 2pye s TRP 157 Cb -0.16 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 2pye s TRP 157 CO 0.06 -0.86 0.26 0.08 0.02 0.00 0.00 176.95 176.50 2pye s VAL 158 N 1.22 5.27 -1.11 4.03 1.01 -0.78 -1.71 120.40 128.33 2pye s VAL 158 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2pye s VAL 158 Cb -0.19 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2pye s VAL 158 CO -0.09 -0.09 0.95 0.59 0.00 0.00 0.00 175.10 176.46 2pye n ASN 159 N 5.12 -3.70 0.00 3.32 3.02 0.08 -3.28 115.26 119.82 2pye n ASN 159 Ca -0.12 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 2pye n ASN 159 Cb 0.49 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 2pye n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pye n GLY 160 N -1.43 0.70 3.03 7.41 0.00 -1.26 -4.99 105.19 108.64 2pye n GLY 160 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2pye n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pye s LYS 161 N -0.30 1.15 0.35 1.61 -2.85 -1.21 -5.09 119.74 113.41 2pye s LYS 161 Ca 0.00 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.32 2pye s LYS 161 Cb 0.00 -1.05 -0.11 0.00 -2.06 0.00 0.00 37.83 34.61 2pye s LYS 161 CO 0.00 0.13 1.47 -2.00 0.10 0.00 0.00 175.35 175.05 2pye s GLU 162 N 0.20 4.16 0.16 1.78 2.12 -1.26 -1.86 118.70 123.99 2pye s GLU 162 Ca -0.04 2.50 0.10 0.00 0.36 0.00 0.00 54.97 57.89 2pye s GLU 162 Cb -0.10 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2pye s GLU 162 CO 0.01 -0.48 -0.23 0.14 -0.54 0.00 0.00 175.26 174.16 2pye s VAL 163 N -0.90 2.12 0.00 3.70 -7.23 0.17 -4.89 120.40 113.37 2pye s VAL 163 Ca 0.54 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2pye s VAL 163 Cb -0.45 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2pye s VAL 163 CO 0.58 -0.11 0.00 1.41 -0.31 0.00 0.00 175.10 176.67 2pye n HIS 164 N 0.53 0.00 -1.83 2.82 8.25 -1.26 -4.42 115.22 119.30 2pye n HIS 164 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.90 2pye n HIS 164 Cb 0.55 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 2pye n HIS 164 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pye s SER 165 N -3.81 6.37 0.00 0.41 0.15 -1.26 -2.46 113.70 113.09 2pye s SER 165 Ca 0.00 3.02 0.00 0.00 0.70 0.00 0.00 55.95 59.67 2pye s SER 165 Cb 0.00 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2pye s SER 165 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2pye n GLY 166 N 0.49 0.53 3.55 9.45 0.00 -1.26 -4.83 105.19 113.11 2pye n GLY 166 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2pye n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pye s VAL 167 N -2.31 3.50 -0.23 1.61 1.01 -1.03 -1.39 120.40 121.55 2pye s VAL 167 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2pye s VAL 167 Cb 0.00 -2.42 0.12 0.00 0.00 0.00 0.00 36.38 34.08 2pye s VAL 167 CO 0.00 0.58 0.37 0.00 0.00 0.00 0.00 175.10 176.05 2pye s THR 169 N 2.54 5.09 0.29 0.00 2.01 -1.26 -2.36 115.64 121.95 2pye s THR 169 Ca 0.10 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 2pye s THR 169 Cb -0.15 -3.42 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 2pye s THR 169 CO -0.15 0.22 1.37 0.47 -0.69 0.00 0.00 174.62 175.84 2pye n ASP 170 N 0.66 2.84 0.19 3.53 10.43 -0.87 -4.87 116.55 128.46 2pye n ASP 170 Ca -0.09 1.17 0.04 0.00 2.57 0.00 0.00 54.79 58.49 2pye n ASP 170 Cb 0.52 -1.47 0.39 0.00 1.84 0.00 0.00 41.12 42.40 2pye n ASP 170 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 2pye h PRO 171 N 3.46 0.00 -4.19 -0.24 0.13 -1.97 -3.44 132.00 125.75 2pye h PRO 171 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2pye h PRO 171 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 2pye h PRO 171 CO 0.70 0.35 -0.74 -0.65 -0.23 0.00 0.00 178.00 177.43 2pye s GLN 172 N -4.10 0.33 0.74 0.86 -0.21 -1.26 -5.15 119.66 110.87 2pye s GLN 172 Ca -0.02 -0.24 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 2pye s GLN 172 Cb 0.14 -0.27 0.03 0.00 1.00 0.00 0.00 33.01 33.91 2pye s GLN 172 CO 0.71 0.07 1.11 -1.25 -2.12 0.00 0.00 175.29 173.80 2pye s PRO 173 N -0.36 2.59 -0.02 2.91 0.04 -1.26 -4.96 135.00 133.94 2pye s PRO 173 Ca -0.01 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.52 2pye s PRO 173 Cb -0.03 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2pye s PRO 173 CO -0.00 -1.22 -0.16 -0.48 0.04 0.00 0.00 177.00 175.18 2pye s LEU 174 N -5.47 2.67 0.17 -3.56 0.05 -0.66 -4.94 118.68 106.95 2pye s LEU 174 Ca 0.59 -0.27 -0.30 0.00 0.05 0.00 0.00 54.13 54.20 2pye s LEU 174 Cb -0.12 -1.55 -0.08 0.00 -2.05 0.00 0.00 46.19 42.40 2pye s LEU 174 CO 0.52 0.32 1.20 -0.54 -0.55 0.00 0.00 176.35 177.30 2pye s LYS 175 N -0.95 4.48 0.29 1.48 1.02 -1.26 -2.17 119.74 122.63 2pye s LYS 175 Ca 0.13 1.86 0.12 0.00 0.02 0.00 0.00 55.97 58.10 2pye s LYS 175 Cb -0.11 -3.25 0.39 0.00 -0.52 0.00 0.00 37.83 34.34 2pye s LYS 175 CO 0.02 -0.11 1.62 0.93 -0.92 0.00 0.00 175.35 176.88 2pye h GLU 176 N 5.47 0.00 -2.67 1.68 5.08 -1.77 -3.37 114.58 118.99 2pye h GLU 176 Ca -0.44 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 2pye h GLU 176 Cb 1.21 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.07 2pye h GLU 176 CO 0.76 0.58 -0.83 -0.65 -1.00 0.00 0.00 179.01 177.87 2pye s GLN 177 N -3.54 1.18 0.35 2.33 -1.52 -1.26 -5.03 119.66 112.17 2pye s GLN 177 Ca -0.01 -2.14 0.12 0.00 -1.95 0.00 0.00 55.36 51.39 2pye s GLN 177 Cb 0.12 -1.94 0.93 0.00 -0.22 0.00 0.00 33.01 31.89 2pye s GLN 177 CO 0.75 -1.28 1.77 -1.35 -0.25 0.00 0.00 175.29 174.92 2pye h PRO 178 N 6.13 0.55 -0.00 2.91 0.11 -1.98 -1.98 132.00 137.73 2pye h PRO 178 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2pye h PRO 178 Cb 0.90 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2pye h PRO 178 CO 0.43 0.36 -0.01 0.00 -0.21 0.00 0.00 178.00 178.58 2pye n ALA 179 N -2.38 2.44 -2.78 -0.75 0.00 -1.26 -4.79 120.51 110.99 2pye n ALA 179 Ca 0.25 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 2pye n ALA 179 Cb 0.73 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 2pye n ALA 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pye s LEU 180 N -2.75 4.14 0.38 0.00 1.43 -0.75 -5.09 118.68 116.04 2pye s LEU 180 Ca 0.22 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 2pye s LEU 180 Cb 0.20 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 44.27 2pye s LEU 180 CO 0.49 0.23 0.88 0.20 0.23 0.00 0.00 176.35 178.38 2pye s ASN 181 N 0.06 6.92 -0.97 2.29 0.02 -1.26 -3.37 114.94 118.63 2pye s ASN 181 Ca 0.08 1.57 0.00 0.00 -1.02 0.00 0.00 52.86 53.49 2pye s ASN 181 Cb -0.11 -2.49 0.00 0.00 0.02 0.00 0.00 41.25 38.67 2pye s ASN 181 CO -0.00 -0.28 0.00 0.47 0.02 0.00 0.00 177.10 177.31 2pye n ASP 182 N -0.42 -4.00 -4.75 -1.22 10.43 -1.26 -4.98 116.55 110.35 2pye n ASP 182 Ca 0.05 0.20 -0.41 0.00 2.57 0.00 0.00 54.79 57.20 2pye n ASP 182 Cb 0.53 -2.46 -0.03 0.00 1.84 0.00 0.00 41.12 41.00 2pye n ASP 182 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2pye s SER 183 N -2.85 7.03 0.73 -2.24 0.15 -1.22 -5.01 113.70 110.28 2pye s SER 183 Ca 0.00 2.38 -0.13 0.00 0.70 0.00 0.00 55.95 58.90 2pye s SER 183 Cb 0.00 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2pye s SER 183 CO 0.00 -0.38 1.12 -0.13 1.20 0.00 0.00 173.24 175.05 2pye s ARG 184 N -0.90 2.39 0.32 5.44 0.52 -1.26 -4.82 118.95 120.64 2pye s ARG 184 Ca 0.50 1.38 0.08 0.00 -0.52 0.00 0.00 55.73 57.18 2pye s ARG 184 Cb -0.35 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2pye s ARG 184 CO 0.42 -1.57 0.11 0.71 0.02 0.00 0.00 175.30 174.99 2pye s TYR 185 N -2.50 2.72 0.07 -0.53 2.02 0.29 -2.30 117.35 117.13 2pye s TYR 185 Ca 0.66 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 57.07 2pye s TYR 185 Cb -0.21 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2pye s TYR 185 CO 0.48 0.41 -0.13 0.00 -1.57 0.00 0.00 175.55 174.74 2pye s ALA 186 N -2.39 1.11 -0.14 3.71 0.00 -0.92 -0.71 121.76 122.41 2pye s ALA 186 Ca 0.36 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2pye s ALA 186 Cb -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2pye s ALA 186 CO 0.22 0.14 0.37 -1.17 0.00 0.00 0.00 175.76 175.33 2pye s LEU 187 N -1.73 0.47 0.26 0.00 2.96 0.45 -1.65 118.68 119.44 2pye s LEU 187 Ca -0.03 0.76 0.10 0.00 -0.22 0.00 0.00 54.13 54.74 2pye s LEU 187 Cb -0.10 1.27 -0.05 0.00 0.50 0.00 0.00 46.19 47.81 2pye s LEU 187 CO 0.02 -0.14 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.82 2pye s SER 188 N 0.43 3.15 -0.01 3.68 1.04 -1.26 -1.14 113.70 119.58 2pye s SER 188 Ca -0.02 -1.06 -0.22 0.00 0.48 0.00 0.00 55.95 55.13 2pye s SER 188 Cb -0.04 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.89 2pye s SER 188 CO -0.02 -0.10 0.48 -0.55 0.98 0.00 0.00 173.24 174.02 2pye s SER 189 N -3.44 -0.40 -0.00 7.02 0.15 -0.76 -2.04 113.70 114.23 2pye s SER 189 Ca 0.28 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.29 2pye s SER 189 Cb -0.02 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2pye s SER 189 CO 0.12 -0.56 -0.17 -0.13 1.20 0.00 0.00 173.24 173.69 2pye s ARG 190 N -1.54 1.35 -0.14 5.44 3.00 -0.99 -0.86 118.95 125.21 2pye s ARG 190 Ca -0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 55.73 54.95 2pye s ARG 190 Cb -0.02 -1.33 0.03 0.00 0.00 0.00 0.00 34.95 33.63 2pye s ARG 190 CO 0.05 0.36 -0.07 -1.17 0.00 0.00 0.00 175.30 174.47 2pye s LEU 191 N -0.57 1.38 -0.08 2.53 2.96 -0.77 -1.97 118.68 122.17 2pye s LEU 191 Ca 0.06 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2pye s LEU 191 Cb -0.07 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 2pye s LEU 191 CO -0.00 -0.15 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.18 2pye s ARG 192 N 1.67 2.87 0.23 1.98 3.52 -0.49 -0.88 118.95 127.85 2pye s ARG 192 Ca 0.03 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2pye s ARG 192 Cb -0.14 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 2pye s ARG 192 CO -0.08 0.53 0.11 0.14 -0.81 0.00 0.00 175.30 175.19 2pye s VAL 193 N -0.46 0.27 0.47 7.11 -7.23 -0.63 -4.64 120.40 115.29 2pye s VAL 193 Ca 0.06 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.02 2pye s VAL 193 Cb -0.12 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 2pye s VAL 193 CO 0.02 -0.02 1.10 -0.94 -0.31 0.00 0.00 175.10 174.95 2pye s SER 194 N -3.23 6.23 0.36 4.85 1.04 -1.26 -0.68 113.70 121.00 2pye s SER 194 Ca 0.38 2.12 0.11 0.00 0.48 0.00 0.00 55.95 59.04 2pye s SER 194 Cb 0.07 -2.58 0.89 0.00 0.10 0.00 0.00 66.02 64.50 2pye s SER 194 CO 0.12 -0.87 1.82 0.00 0.98 0.00 0.00 173.24 175.30 2pye h ALA 195 N 1.80 1.92 -0.71 5.32 0.00 -1.26 -0.94 119.26 125.39 2pye h ALA 195 Ca -0.49 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2pye h ALA 195 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2pye h ALA 195 CO 0.59 -0.23 0.46 1.15 0.00 0.00 0.00 179.25 181.22 2pye h THR 196 N 0.62 1.14 -0.38 0.00 2.02 -1.91 -0.19 112.91 114.21 2pye h THR 196 Ca 0.52 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2pye h THR 196 Cb 0.99 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2pye h THR 196 CO -0.27 0.17 -0.12 0.15 0.37 0.00 0.00 175.52 175.82 2pye h PHE 197 N 0.92 0.85 -0.28 3.16 3.57 -1.56 -3.02 116.94 120.58 2pye h PHE 197 Ca 0.27 -0.19 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 2pye h PHE 197 Cb -0.05 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2pye h PHE 197 CO -0.03 0.90 -0.23 2.35 -2.23 0.00 0.00 178.31 179.07 2pye h TRP 198 N 0.55 0.61 -0.01 0.41 2.91 -1.16 -3.06 115.95 116.19 2pye h TRP 198 Ca 0.09 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2pye h TRP 198 Cb 0.64 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2pye h TRP 198 CO 0.05 0.73 0.00 1.04 -1.03 0.00 0.00 178.44 179.24 2pye n GLN 199 N -4.12 1.03 -3.45 2.65 6.02 -0.10 -2.40 117.38 117.01 2pye n GLN 199 Ca -0.00 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 2pye n GLN 199 Cb 0.40 -1.02 -0.10 0.00 1.02 0.00 0.00 30.24 30.54 2pye n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2pye s ASP 200 N -1.03 6.12 0.00 1.08 -1.08 -1.16 -3.94 116.67 116.65 2pye s ASP 200 Ca 0.02 -0.95 0.02 0.00 -0.52 0.00 0.00 52.55 51.12 2pye s ASP 200 Cb 0.01 -2.16 0.09 0.00 -1.46 0.00 0.00 42.92 39.40 2pye s ASP 200 CO 0.02 -0.48 1.05 -0.81 0.52 0.00 0.00 175.17 175.47 2pye n PRO 201 N 5.18 0.00 0.21 4.34 -0.04 -1.25 -1.90 135.00 141.54 2pye n PRO 201 Ca -0.11 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2pye n PRO 201 Cb 0.47 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.58 2pye n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pye h ARG 202 N 0.00 0.00 -6.77 0.54 3.08 -1.93 -3.40 114.38 105.90 2pye h ARG 202 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2pye h ARG 202 Cb 0.04 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.11 2pye h ARG 202 CO 0.00 0.01 0.55 -0.80 -1.07 0.00 0.00 179.97 178.65 2pye s ASN 203 N -6.14 7.08 -0.17 7.04 0.01 -0.80 -4.96 114.94 117.01 2pye s ASN 203 Ca 0.06 2.36 0.01 0.00 -0.71 0.00 0.00 52.86 54.58 2pye s ASN 203 Cb 0.05 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.11 2pye s ASN 203 CO 0.68 -0.32 -0.17 -2.28 -1.51 0.00 0.00 177.10 173.50 2pye s HIS 204 N -0.75 2.51 -0.17 2.20 5.65 -1.26 -1.96 115.29 121.49 2pye s HIS 204 Ca 0.49 -1.46 -0.03 0.00 0.25 0.00 0.00 55.06 54.30 2pye s HIS 204 Cb -0.34 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.27 2pye s HIS 204 CO 0.42 -0.75 -0.06 -0.06 -0.65 0.00 0.00 174.74 173.65 2pye s PHE 205 N 1.38 2.95 -0.02 3.88 0.08 0.48 -0.74 117.98 126.00 2pye s PHE 205 Ca 0.05 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.50 2pye s PHE 205 Cb -0.13 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2pye s PHE 205 CO -0.12 -0.26 0.01 0.50 -0.10 0.00 0.00 175.22 175.25 2pye s ARG 206 N 0.79 0.08 -0.22 0.44 3.52 -0.69 -0.85 118.95 122.01 2pye s ARG 206 Ca -0.02 0.08 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 2pye s ARG 206 Cb -0.15 -0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 2pye s ARG 206 CO 0.02 -0.09 0.01 0.00 -0.81 0.00 0.00 175.30 174.42 2pye s GLN 208 N 1.38 1.99 -0.27 0.00 -2.07 -0.67 -1.89 119.66 118.14 2pye s GLN 208 Ca 0.05 -1.03 0.01 0.00 -1.82 0.00 0.00 55.36 52.57 2pye s GLN 208 Cb -0.15 -2.14 0.08 0.00 -1.09 0.00 0.00 33.01 29.71 2pye s GLN 208 CO 0.01 0.53 -0.00 0.08 -1.32 0.00 0.00 175.29 174.58 2pye s VAL 209 N -0.93 1.52 -0.05 3.63 1.01 -0.24 -1.28 120.40 124.07 2pye s VAL 209 Ca 0.14 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 2pye s VAL 209 Cb -0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2pye s VAL 209 CO 0.05 -0.31 1.11 -1.58 0.00 0.00 0.00 175.10 174.36 2pye s GLN 210 N 1.35 4.41 -0.05 2.72 2.00 -0.26 -1.37 119.66 128.45 2pye s GLN 210 Ca 0.01 1.55 0.05 0.00 -2.00 0.00 0.00 55.36 54.97 2pye s GLN 210 Cb -0.19 -3.52 -0.02 0.00 0.80 0.00 0.00 33.01 30.08 2pye s GLN 210 CO -0.10 -0.34 -0.19 0.12 -0.50 0.00 0.00 175.29 174.28 2pye s PHE 211 N 1.89 2.57 -0.30 1.67 5.36 1.00 -1.93 117.98 128.23 2pye s PHE 211 Ca 0.53 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.15 2pye s PHE 211 Cb -0.22 -1.60 0.05 0.00 -0.34 0.00 0.00 43.02 40.91 2pye s PHE 211 CO 0.22 0.05 -0.00 0.71 -1.46 0.00 0.00 175.22 174.73 2pye s TYR 212 N -0.56 3.28 0.00 10.12 1.51 -0.87 -1.28 117.35 129.55 2pye s TYR 212 Ca 0.08 -1.93 0.00 0.00 -1.01 0.00 0.00 57.07 54.21 2pye s TYR 212 Cb -0.11 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2pye s TYR 212 CO 0.01 -0.82 0.00 0.41 -1.11 0.00 0.00 175.55 174.04 2pye n GLY 213 N 4.60 1.61 3.85 0.71 0.00 -1.26 -4.71 105.19 110.00 2pye n GLY 213 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2pye n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pye s LEU 214 N 0.00 3.72 0.62 0.99 1.43 -0.69 -4.32 118.68 120.43 2pye s LEU 214 Ca 0.00 1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 54.49 2pye s LEU 214 Cb 0.00 -4.35 0.03 0.00 0.03 0.00 0.00 46.19 41.90 2pye s LEU 214 CO 0.00 -0.50 0.91 -0.94 0.23 0.00 0.00 176.35 176.05 2pye s SER 215 N -3.00 5.31 0.20 2.29 1.04 -1.26 -3.66 113.70 114.62 2pye s SER 215 Ca 0.57 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.37 2pye s SER 215 Cb -0.10 -1.40 0.20 0.00 0.10 0.00 0.00 66.02 64.81 2pye s SER 215 CO 0.29 -1.23 1.62 -0.08 0.98 0.00 0.00 173.24 174.82 2pye h GLU 216 N -0.26 -0.05 -0.00 4.02 4.81 -2.02 -2.85 114.58 118.23 2pye h GLU 216 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2pye h GLU 216 Cb 1.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2pye h GLU 216 CO 0.59 -0.03 -0.05 0.09 -0.73 0.00 0.00 179.01 178.88 2pye n ASN 217 N -5.43 0.12 -4.76 1.04 3.02 -1.26 -4.92 115.26 103.08 2pye n ASN 217 Ca 0.06 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2pye n ASN 217 Cb 0.33 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 2pye n ASN 217 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2pye s ASP 218 N -2.70 5.74 0.63 6.41 1.01 -1.08 -4.98 116.67 121.70 2pye s ASP 218 Ca 0.24 2.59 -0.16 0.00 0.71 0.00 0.00 52.55 55.92 2pye s ASP 218 Cb 0.20 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2pye s ASP 218 CO 0.50 -1.24 1.13 -1.61 0.21 0.00 0.00 175.17 174.16 2pye s GLU 219 N -2.74 2.89 -0.30 8.23 8.01 -1.26 -4.98 118.70 128.55 2pye s GLU 219 Ca 0.67 1.52 -0.14 0.00 0.01 0.00 0.00 54.97 57.03 2pye s GLU 219 Cb -0.36 -1.95 0.18 0.00 -4.31 0.00 0.00 34.13 27.69 2pye s GLU 219 CO 0.43 -1.21 1.05 -0.46 0.01 0.00 0.00 175.26 175.09 2pye s TRP 220 N -2.09 -0.54 -0.01 1.61 -0.11 -1.26 -5.04 118.94 111.50 2pye s TRP 220 Ca 0.70 0.73 0.13 0.00 1.22 0.00 0.00 56.10 58.89 2pye s TRP 220 Cb -0.23 0.25 0.23 0.00 -1.50 0.00 0.00 33.47 32.21 2pye s TRP 220 CO 0.37 -0.28 1.09 0.25 -4.62 0.00 0.00 176.95 173.76 2pye n THR 221 N 5.17 0.14 -1.48 5.86 -2.24 -1.26 -5.03 114.28 115.44 2pye n THR 221 Ca -0.07 -0.66 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 2pye n THR 221 Cb 0.54 0.68 0.12 0.00 -2.10 0.00 0.00 70.33 69.57 2pye n THR 221 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pye s GLN 222 N -0.21 1.50 0.55 -0.78 -1.52 -1.26 -4.95 119.66 112.99 2pye s GLN 222 Ca 0.18 0.51 0.33 0.00 -1.95 0.00 0.00 55.36 54.44 2pye s GLN 222 Cb 0.21 -1.86 1.40 0.00 -0.22 0.00 0.00 33.01 32.53 2pye s GLN 222 CO -0.08 -2.00 2.00 0.22 -0.25 0.00 0.00 175.29 175.18 2pye h ASP 223 N -1.36 0.00 -1.86 5.90 3.58 -2.05 -3.44 116.42 117.18 2pye h ASP 223 Ca -0.49 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 56.52 2pye h ASP 223 Cb 1.30 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.36 2pye h ASP 223 CO 0.60 0.02 -0.34 0.00 -2.88 0.00 0.00 179.24 176.64 2pye s ARG 224 N -3.71 3.14 0.61 0.28 1.70 -1.26 -5.08 118.95 114.63 2pye s ARG 224 Ca 0.01 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 54.10 2pye s ARG 224 Cb 0.09 -2.82 -0.03 0.00 -0.57 0.00 0.00 34.95 31.63 2pye s ARG 224 CO 0.54 0.08 1.26 0.00 -1.08 0.00 0.00 175.30 176.10 2pye n ALA 225 N -1.64 1.10 -1.98 7.88 0.00 -1.26 -4.92 120.51 119.69 2pye n ALA 225 Ca -0.01 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2pye n ALA 225 Cb 0.58 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 2pye n ALA 225 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2pye s LYS 226 N -3.14 4.22 -1.39 0.00 2.20 -1.26 -4.89 119.74 115.47 2pye s LYS 226 Ca 0.79 2.28 -0.14 0.00 -0.36 0.00 0.00 55.97 58.54 2pye s LYS 226 Cb -0.40 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2pye s LYS 226 CO 0.44 -0.67 2.35 -0.35 -0.36 0.00 0.00 175.35 176.75 2pye n PRO 227 N 5.12 2.84 -1.79 4.03 -0.04 -1.26 -4.95 135.00 138.96 2pye n PRO 227 Ca 0.15 -2.37 -0.30 0.00 -0.04 0.00 0.00 63.50 60.94 2pye n PRO 227 Cb 0.40 -3.10 0.16 0.00 -0.04 0.00 0.00 33.50 30.93 2pye n PRO 227 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pye s VAL 228 N 3.20 1.96 -0.16 0.52 -7.23 -1.26 -1.71 120.40 115.72 2pye s VAL 228 Ca 0.53 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.41 2pye s VAL 228 Cb 0.15 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2pye s VAL 228 CO -0.06 0.00 1.67 -0.89 -0.31 0.00 0.00 175.10 175.51 2pye s THR 229 N -3.66 3.61 0.16 5.32 2.01 -1.24 -4.18 115.64 117.66 2pye s THR 229 Ca 0.70 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 63.27 2pye s THR 229 Cb -0.07 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.88 2pye s THR 229 CO 0.52 -0.19 0.37 0.00 -0.69 0.00 0.00 174.62 174.64 2pye s GLN 230 N 4.54 1.19 -0.33 4.92 -2.07 -0.40 -4.92 119.66 122.58 2pye s GLN 230 Ca 0.74 -0.97 -0.12 0.00 -1.82 0.00 0.00 55.36 53.19 2pye s GLN 230 Cb -0.29 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2pye s GLN 230 CO 0.30 -0.46 0.21 0.42 -1.32 0.00 0.00 175.29 174.44 2pye s ILE 231 N -3.90 5.03 -0.23 3.63 1.01 -1.26 -0.00 121.20 125.48 2pye s ILE 231 Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2pye s ILE 231 Cb 0.02 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 2pye s ILE 231 CO -0.04 -0.01 0.00 -0.69 0.00 0.00 0.00 174.94 174.21 2pye s VAL 232 N 1.68 3.79 0.26 2.92 1.01 -0.47 -4.95 120.40 124.64 2pye s VAL 232 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2pye s VAL 232 Cb -0.17 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2pye s VAL 232 CO 0.09 0.39 0.01 -0.94 0.00 0.00 0.00 175.10 174.65 2pye s SER 233 N 1.47 2.06 0.09 3.32 1.04 -1.26 -1.07 113.70 119.34 2pye s SER 233 Ca 0.05 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2pye s SER 233 Cb -0.15 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 2pye s SER 233 CO -0.00 -0.52 -0.03 0.00 0.98 0.00 0.00 173.24 173.67 2pye s ALA 234 N -3.35 0.80 0.10 5.32 0.00 -0.79 -4.83 121.76 119.02 2pye s ALA 234 Ca 0.31 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 2pye s ALA 234 Cb 0.06 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2pye s ALA 234 CO 0.11 -0.32 0.34 -1.83 0.00 0.00 0.00 175.76 174.05 2pye s GLU 235 N -3.90 0.98 -0.02 0.00 -1.05 -1.26 -1.93 118.70 111.52 2pye s GLU 235 Ca 0.12 -0.74 -0.13 0.00 -0.15 0.00 0.00 54.97 54.08 2pye s GLU 235 Cb 0.07 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2pye s GLU 235 CO -0.06 -0.36 0.27 0.00 0.95 0.00 0.00 175.26 176.07 2pye s ALA 236 N -3.63 -0.67 0.30 -0.84 0.00 -0.03 -4.90 121.76 111.98 2pye s ALA 236 Ca 0.02 0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.36 2pye s ALA 236 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2pye s ALA 236 CO -0.10 -0.23 0.05 -1.58 0.00 0.00 0.00 175.76 173.89 2pye s TRP 237 N -1.14 2.68 0.48 0.00 0.52 -1.26 -0.38 118.94 119.84 2pye s TRP 237 Ca -0.12 -0.31 -0.22 0.00 0.02 0.00 0.00 56.10 55.47 2pye s TRP 237 Cb -0.05 -1.39 -0.07 0.00 -1.15 0.00 0.00 33.47 30.80 2pye s TRP 237 CO 0.03 0.50 1.14 0.20 0.02 0.00 0.00 176.95 178.84 2pye s GLY 238 N -3.74 2.72 -0.04 0.98 0.00 -0.83 -4.95 107.32 101.46 2pye s GLY 238 Ca 0.34 0.87 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 2pye s GLY 238 CO 0.21 1.29 0.02 1.09 0.00 0.00 0.00 173.10 175.71 2pye s ARG 239 N -2.88 0.17 -0.32 2.90 1.70 -1.01 -3.89 118.95 115.62 2pye s ARG 239 Ca 0.66 0.20 -0.00 0.00 -0.47 0.00 0.00 55.73 56.12 2pye s ARG 239 Cb -0.26 -0.52 0.27 0.00 -0.57 0.00 0.00 34.95 33.87 2pye s ARG 239 CO 0.31 -0.23 1.86 0.00 -1.08 0.00 0.00 175.30 176.16 2pye n ALA 240 N 4.66 4.90 1.87 7.88 0.00 -1.25 -4.54 120.51 134.02 2pye n ALA 240 Ca -0.17 -1.74 0.15 0.00 0.00 0.00 0.00 53.44 51.69 2pye n ALA 240 Cb 0.50 -1.36 0.84 0.00 0.00 0.00 0.00 19.45 19.43 2pye n ALA 240 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25