#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dem n MET 8 N 0.00 0.75 -3.71 1.20 2.81 -1.26 -4.73 117.12 112.18 3dem n MET 8 Ca 0.00 -0.33 -0.06 0.00 -1.81 0.00 0.00 57.70 55.49 3dem n MET 8 Cb 0.00 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 3dem n MET 8 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 3dem s PHE 9 N -2.48 -0.22 0.00 2.03 -0.12 -1.26 0.17 117.98 116.10 3dem s PHE 9 Ca 0.27 -0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 3dem s PHE 9 Cb 0.20 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.23 3dem s PHE 9 CO 0.49 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 175.15 3dem n GLY 10 N -0.43 0.66 3.32 1.99 0.00 -0.59 -4.94 105.19 105.20 3dem n GLY 10 Ca -0.07 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3dem n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dem s GLN 11 N -2.00 1.46 -0.00 1.61 -0.21 -1.26 -1.40 119.66 117.85 3dem s GLN 11 Ca 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.26 3dem s GLN 11 Cb 0.00 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.30 3dem s GLN 11 CO 0.00 0.43 -0.01 0.42 -2.12 0.00 0.00 175.29 174.00 3dem s ILE 12 N -0.93 0.11 0.16 1.08 1.01 0.27 -4.99 121.20 117.91 3dem s ILE 12 Ca 0.10 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.77 3dem s ILE 12 Cb -0.10 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3dem s ILE 12 CO 0.03 0.04 -0.13 -1.10 0.00 0.00 0.00 174.94 173.79 3dem s GLN 13 N 0.09 1.15 0.58 2.79 -0.21 -1.26 0.23 119.66 123.03 3dem s GLN 13 Ca -0.01 -1.43 -0.17 0.00 0.02 0.00 0.00 55.36 53.77 3dem s GLN 13 Cb -0.02 -0.90 -0.04 0.00 1.00 0.00 0.00 33.01 33.05 3dem s GLN 13 CO -0.00 0.15 1.10 -1.54 -2.12 0.00 0.00 175.29 172.87 3dem s SER 14 N -2.99 5.61 0.11 5.90 1.04 -0.97 -4.96 113.70 117.45 3dem s SER 14 Ca 0.16 2.02 -0.35 0.00 0.48 0.00 0.00 55.95 58.26 3dem s SER 14 Cb -0.01 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.40 3dem s SER 14 CO 0.04 -1.29 1.53 -2.65 0.98 0.00 0.00 173.24 171.85 3dem n PRO 15 N -1.76 1.83 0.00 4.02 -0.02 -1.26 -1.88 135.00 135.93 3dem n PRO 15 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3dem n PRO 15 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3dem n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dem n GLY 16 N 3.23 3.31 3.54 -1.23 0.00 -1.26 -4.12 105.19 108.66 3dem n GLY 16 Ca 0.18 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.72 3dem n GLY 16 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dem n TYR 17 N -2.00 0.83 1.44 1.61 9.36 -0.79 -0.05 117.16 127.56 3dem n TYR 17 Ca 0.00 0.78 0.05 0.00 3.32 0.00 0.00 57.90 62.05 3dem n TYR 17 Cb 0.00 -2.18 0.17 0.00 -0.63 0.00 0.00 39.34 36.70 3dem n TYR 17 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dem n PRO 18 N 1.18 1.43 -1.91 2.98 -0.04 -1.26 -5.02 135.00 132.36 3dem n PRO 18 Ca 0.14 -0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 62.64 3dem n PRO 18 Cb 0.26 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 3dem n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dem s ASP 19 N -1.14 5.26 0.37 3.54 1.01 0.93 -4.87 116.67 121.77 3dem s ASP 19 Ca 0.17 1.04 -0.27 0.00 0.71 0.00 0.00 52.55 54.20 3dem s ASP 19 Cb 0.09 -1.78 -0.11 0.00 1.01 0.00 0.00 42.92 42.12 3dem s ASP 19 CO 0.12 -1.45 1.35 -1.54 0.21 0.00 0.00 175.17 173.87 3dem n SER 20 N -3.05 3.04 -4.81 0.27 3.41 -1.26 -4.69 113.62 106.53 3dem n SER 20 Ca 0.07 1.19 -0.33 0.00 -0.26 0.00 0.00 58.87 59.54 3dem n SER 20 Cb 0.58 -1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 3dem n SER 20 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3dem s TYR 21 N -1.13 3.10 0.70 7.33 -0.85 -0.86 -4.76 117.35 120.88 3dem s TYR 21 Ca 0.56 1.55 -0.11 0.00 -0.52 0.00 0.00 57.07 58.55 3dem s TYR 21 Cb -0.52 -2.98 0.01 0.00 0.38 0.00 0.00 41.96 38.84 3dem s TYR 21 CO 0.62 -0.73 1.06 -1.25 -1.52 0.00 0.00 175.55 173.72 3dem s PRO 22 N -3.56 2.90 0.68 -3.49 0.04 -1.26 -4.89 135.00 125.42 3dem s PRO 22 Ca 0.64 0.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 3dem s PRO 22 Cb -0.14 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.44 3dem s PRO 22 CO 0.25 -1.13 1.02 -1.54 0.04 0.00 0.00 177.00 175.64 3dem s SER 23 N -3.77 5.28 -1.42 6.66 1.04 -1.26 -4.31 113.70 115.90 3dem s SER 23 Ca 0.58 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 3dem s SER 23 Cb -0.14 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.36 3dem s SER 23 CO 0.55 -1.35 0.43 -0.67 0.98 0.00 0.00 173.24 173.18 3dem n ASP 24 N -2.88 -0.45 -4.33 7.02 2.03 0.88 -4.97 116.55 113.85 3dem n ASP 24 Ca 0.06 -1.01 -0.28 0.00 0.52 0.00 0.00 54.79 54.08 3dem n ASP 24 Cb 0.58 -3.03 -0.14 0.00 -0.72 0.00 0.00 41.12 37.81 3dem n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3dem s SER 25 N -4.32 3.00 -0.16 1.67 1.04 -0.93 -4.97 113.70 109.02 3dem s SER 25 Ca 0.04 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 3dem s SER 25 Cb -0.02 -0.23 0.08 0.00 0.10 0.00 0.00 66.02 65.95 3dem s SER 25 CO 0.89 0.19 0.28 -0.70 0.98 0.00 0.00 173.24 174.88 3dem s GLU 26 N -1.56 0.19 -0.05 4.02 2.12 -1.26 -0.60 118.70 121.57 3dem s GLU 26 Ca 0.11 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.12 3dem s GLU 26 Cb -0.10 -0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.01 3dem s GLU 26 CO 0.03 -0.40 -0.14 0.08 -0.54 0.00 0.00 175.26 174.29 3dem s VAL 27 N 2.43 1.25 -0.09 3.70 1.01 -0.63 -5.00 120.40 123.07 3dem s VAL 27 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3dem s VAL 27 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3dem s VAL 27 CO -0.10 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.29 3dem s THR 28 N 0.26 2.61 -0.19 3.92 2.01 -1.26 -0.90 115.64 122.09 3dem s THR 28 Ca -0.07 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 3dem s THR 28 Cb -0.12 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 3dem s THR 28 CO 0.03 0.55 -0.10 0.26 -0.69 0.00 0.00 174.62 174.67 3dem s TRP 29 N 0.02 2.88 -0.25 4.92 0.51 0.13 -4.96 118.94 122.20 3dem s TRP 29 Ca -0.07 -0.97 -0.12 0.00 -2.12 0.00 0.00 56.10 52.82 3dem s TRP 29 Cb -0.15 -2.00 -0.05 0.00 -0.81 0.00 0.00 33.47 30.47 3dem s TRP 29 CO 0.05 -0.49 0.21 -0.80 -0.51 0.00 0.00 176.95 175.40 3dem s ASN 30 N 1.11 6.13 -0.24 2.95 0.01 -1.26 -0.83 114.94 122.81 3dem s ASN 30 Ca 0.01 0.13 -0.03 0.00 -0.71 0.00 0.00 52.86 52.26 3dem s ASN 30 Cb -0.14 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3dem s ASN 30 CO -0.02 -0.00 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.88 3dem s ILE 31 N 1.37 3.14 -0.09 0.60 1.01 0.13 -5.00 121.20 122.36 3dem s ILE 31 Ca 0.09 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3dem s ILE 31 Cb -0.15 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3dem s ILE 31 CO 0.07 0.31 -0.23 -0.89 0.00 0.00 0.00 174.94 174.20 3dem s THR 32 N 1.41 2.20 0.33 2.92 2.01 -1.26 -0.84 115.64 122.41 3dem s THR 32 Ca 0.03 -0.99 0.09 0.00 0.31 0.00 0.00 61.69 61.14 3dem s THR 32 Cb -0.15 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3dem s THR 32 CO -0.04 0.56 -0.00 0.68 -0.69 0.00 0.00 174.62 175.13 3dem s VAL 33 N 0.16 2.68 1.01 3.82 -7.23 -0.53 -4.97 120.40 115.34 3dem s VAL 33 Ca -0.13 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 3dem s VAL 33 Cb -0.16 -2.77 0.20 0.00 0.56 0.00 0.00 36.38 34.21 3dem s VAL 33 CO 0.07 -0.23 1.09 -2.84 -0.31 0.00 0.00 175.10 172.88 3dem s PRO 34 N -3.70 0.30 0.44 4.82 0.02 -1.26 -4.82 135.00 130.80 3dem s PRO 34 Ca 0.34 1.11 -0.25 0.00 0.02 0.00 0.00 61.00 62.22 3dem s PRO 34 Cb -0.01 -1.68 -0.08 0.00 0.02 0.00 0.00 34.50 32.75 3dem s PRO 34 CO 0.19 -2.98 1.38 -0.51 -0.33 0.00 0.00 177.00 174.74 3dem s ASP 35 N -2.77 5.99 0.00 2.53 1.01 -1.26 -2.69 116.67 119.47 3dem s ASP 35 Ca 0.67 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.73 3dem s ASP 35 Cb -0.23 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.06 3dem s ASP 35 CO 0.60 -1.09 0.00 0.61 0.21 0.00 0.00 175.17 175.51 3dem n GLY 36 N 0.61 0.73 3.36 0.21 0.00 -1.26 -4.79 105.19 104.06 3dem n GLY 36 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3dem n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dem s PHE 37 N -2.64 1.98 0.48 1.61 0.08 -1.10 -0.97 117.98 117.43 3dem s PHE 37 Ca 0.00 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.65 3dem s PHE 37 Cb 0.00 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3dem s PHE 37 CO 0.00 0.39 0.06 1.03 -0.10 0.00 0.00 175.22 176.60 3dem s ARG 38 N -2.73 2.15 -0.13 0.44 0.52 0.94 -3.74 118.95 116.41 3dem s ARG 38 Ca 0.17 -2.25 -0.01 0.00 -0.52 0.00 0.00 55.73 53.12 3dem s ARG 38 Cb -0.07 -1.65 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 3dem s ARG 38 CO 0.08 -0.30 -0.10 0.42 0.02 0.00 0.00 175.30 175.42 3dem s ILE 39 N -2.81 3.34 -0.17 1.52 -1.09 -1.25 -0.61 121.20 120.14 3dem s ILE 39 Ca 0.18 -0.56 -0.04 0.00 -2.23 0.00 0.00 60.65 58.00 3dem s ILE 39 Cb 0.03 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 3dem s ILE 39 CO 0.10 0.52 -0.04 -0.75 -1.23 0.00 0.00 174.94 173.54 3dem s LYS 40 N 0.28 3.62 -0.05 2.79 2.20 -0.53 -0.95 119.74 127.11 3dem s LYS 40 Ca -0.07 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 3dem s LYS 40 Cb -0.15 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3dem s LYS 40 CO 0.05 0.17 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.89 3dem s LEU 41 N 0.55 1.82 0.17 5.43 2.96 0.27 -1.76 118.68 128.11 3dem s LEU 41 Ca -0.03 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 3dem s LEU 41 Cb -0.14 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3dem s LEU 41 CO 0.03 0.10 0.24 -0.72 -1.32 0.00 0.00 176.35 174.67 3dem s TYR 42 N 0.26 0.60 -0.01 5.38 -0.85 -0.58 0.17 117.35 122.33 3dem s TYR 42 Ca -0.07 -0.95 0.07 0.00 -0.52 0.00 0.00 57.07 55.60 3dem s TYR 42 Cb -0.12 -0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.01 3dem s TYR 42 CO 0.03 -0.70 -0.23 -0.06 -1.52 0.00 0.00 175.55 173.07 3dem s PHE 43 N -4.02 2.06 -0.14 -3.49 0.08 -1.26 -1.20 117.98 110.01 3dem s PHE 43 Ca 0.22 -0.39 0.19 0.00 0.12 0.00 0.00 56.93 57.07 3dem s PHE 43 Cb 0.04 -1.31 -0.28 0.00 -0.57 0.00 0.00 43.02 40.90 3dem s PHE 43 CO 0.03 -0.01 0.46 -1.33 -0.10 0.00 0.00 175.22 174.27 3dem n MET 44 N 2.41 0.63 -3.71 0.44 2.81 -0.13 -4.85 117.12 114.72 3dem n MET 44 Ca -0.16 -0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.46 3dem n MET 44 Cb 0.52 -1.43 -0.10 0.00 -0.71 0.00 0.00 33.22 31.50 3dem n MET 44 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3dem s HIS 45 N -3.21 -0.54 -0.21 2.03 5.65 -1.22 -4.96 115.29 112.82 3dem s HIS 45 Ca -0.05 1.25 -0.04 0.00 0.25 0.00 0.00 55.06 56.47 3dem s HIS 45 Cb 0.12 0.21 0.10 0.00 -1.18 0.00 0.00 32.58 31.84 3dem s HIS 45 CO 0.77 -0.28 0.35 0.12 -0.65 0.00 0.00 174.74 175.05 3dem s PHE 46 N 0.66 -0.68 -0.36 3.88 5.36 -1.25 -1.36 117.98 124.21 3dem s PHE 46 Ca -0.03 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 3dem s PHE 46 Cb -0.05 0.05 0.15 0.00 -0.34 0.00 0.00 43.02 42.83 3dem s PHE 46 CO -0.04 -0.57 0.29 1.21 -1.46 0.00 0.00 175.22 174.64 3dem s ASN 47 N 2.52 2.16 0.29 6.13 3.84 0.22 -2.26 114.94 127.84 3dem s ASN 47 Ca 0.06 -2.03 0.06 0.00 0.21 0.00 0.00 52.86 51.16 3dem s ASN 47 Cb -0.14 -0.02 -0.06 0.00 -0.55 0.00 0.00 41.25 40.48 3dem s ASN 47 CO -0.13 -0.28 -0.03 -0.76 -2.79 0.00 0.00 177.10 173.11 3dem s LEU 48 N 1.12 2.45 0.36 3.21 1.02 -0.02 -1.35 118.68 125.47 3dem s LEU 48 Ca 0.19 -1.23 -0.28 0.00 0.02 0.00 0.00 54.13 52.83 3dem s LEU 48 Cb -0.18 -0.60 -0.10 0.00 0.02 0.00 0.00 46.19 45.33 3dem s LEU 48 CO -0.02 -0.40 1.30 -0.70 0.02 0.00 0.00 176.35 176.56 3dem s GLU 49 N -3.76 4.20 0.02 1.70 2.12 -1.26 -3.14 118.70 118.58 3dem s GLU 49 Ca 0.31 2.18 -0.13 0.00 0.36 0.00 0.00 54.97 57.69 3dem s GLU 49 Cb 0.05 -2.94 -0.06 0.00 0.26 0.00 0.00 34.13 31.44 3dem s GLU 49 CO 0.13 -0.30 0.39 0.45 -0.54 0.00 0.00 175.26 175.38 3dem s SER 50 N -0.60 6.73 0.14 -1.70 0.15 -1.26 -2.36 113.70 114.80 3dem s SER 50 Ca 0.52 0.88 -0.22 0.00 0.70 0.00 0.00 55.95 57.83 3dem s SER 50 Cb -0.39 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 3dem s SER 50 CO 0.51 0.28 0.55 -0.94 1.20 0.00 0.00 173.24 174.84 3dem s SER 51 N -1.30 -0.49 -0.19 5.45 1.04 -1.26 -4.94 113.70 112.01 3dem s SER 51 Ca 0.26 -0.05 -0.37 0.00 0.48 0.00 0.00 55.95 56.27 3dem s SER 51 Cb -0.15 0.57 -0.14 0.00 0.10 0.00 0.00 66.02 66.39 3dem s SER 51 CO 0.14 -0.92 1.80 0.00 0.98 0.00 0.00 173.24 175.24 3dem n TYR 52 N -0.28 2.17 -1.79 5.02 9.36 -1.26 -0.43 117.16 129.95 3dem n TYR 52 Ca -0.17 0.29 -0.18 0.00 3.32 0.00 0.00 57.90 61.17 3dem n TYR 52 Cb 0.64 -2.55 -0.06 0.00 -0.63 0.00 0.00 39.34 36.75 3dem n TYR 52 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3dem n LEU 53 N 5.88 -1.42 -3.84 2.98 4.77 -1.26 -1.72 117.00 122.39 3dem n LEU 53 Ca 0.25 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 56.31 3dem n LEU 53 Cb 0.20 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 3dem n LEU 53 CO 0.77 -0.72 -0.17 0.00 -1.33 0.00 0.00 177.39 175.95 3dem h GLU 55 N -1.85 0.00 0.00 0.00 4.11 -1.50 -3.42 114.58 111.92 3dem h GLU 55 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.80 3dem h GLU 55 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3dem h GLU 55 CO 0.59 0.88 0.00 0.66 0.07 0.00 0.00 179.01 181.21 3dem n TYR 56 N -3.31 0.00 -3.77 2.06 0.53 -1.26 -4.94 117.16 106.47 3dem n TYR 56 Ca -0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.52 3dem n TYR 56 Cb 0.90 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 39.15 3dem n TYR 56 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3dem s ASP 57 N -1.00 6.50 0.05 7.72 1.01 -1.26 -4.08 116.67 125.61 3dem s ASP 57 Ca 0.00 0.58 -0.27 0.00 0.71 0.00 0.00 52.55 53.58 3dem s ASP 57 Cb 0.00 -2.10 0.08 0.00 1.01 0.00 0.00 42.92 41.91 3dem s ASP 57 CO 0.00 0.32 0.72 -0.72 0.21 0.00 0.00 175.17 175.69 3dem s TYR 58 N -1.18 -0.50 -0.26 4.23 -0.85 -0.64 -4.71 117.35 113.44 3dem s TYR 58 Ca 0.23 0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 57.25 3dem s TYR 58 Cb -0.13 0.51 0.03 0.00 0.38 0.00 0.00 41.96 42.75 3dem s TYR 58 CO 0.12 -0.68 -0.05 0.08 -1.52 0.00 0.00 175.55 173.49 3dem s VAL 59 N -2.85 2.89 -0.20 -3.49 1.01 -0.32 -1.00 120.40 116.43 3dem s VAL 59 Ca -0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 3dem s VAL 59 Cb -0.01 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3dem s VAL 59 CO -0.06 0.14 0.03 -0.75 0.00 0.00 0.00 175.10 174.47 3dem s LYS 60 N 1.31 3.76 -0.20 2.72 2.20 0.31 -0.73 119.74 129.11 3dem s LYS 60 Ca -0.01 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3dem s LYS 60 Cb -0.17 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3dem s LYS 60 CO -0.04 0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.02 3dem s VAL 61 N 0.85 2.97 0.20 4.02 1.01 0.88 -1.07 120.40 129.27 3dem s VAL 61 Ca 0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3dem s VAL 61 Cb -0.14 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3dem s VAL 61 CO 0.02 0.47 0.34 -1.83 0.00 0.00 0.00 175.10 174.10 3dem s GLU 62 N 1.26 1.32 0.00 2.72 -1.05 0.01 -0.16 118.70 122.81 3dem s GLU 62 Ca 0.03 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 3dem s GLU 62 Cb -0.14 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 3dem s GLU 62 CO -0.04 -0.51 0.00 0.25 0.95 0.00 0.00 175.26 175.91 3dem n THR 63 N -0.29 0.00 0.61 1.83 -2.24 0.13 0.13 114.28 114.45 3dem n THR 63 Ca -0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 3dem n THR 63 Cb 0.63 -0.75 0.44 0.00 -2.10 0.00 0.00 70.33 68.55 3dem n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3dem n GLU 64 N -0.35 0.09 -0.13 -0.78 0.00 -1.26 -3.90 120.64 114.30 3dem n GLU 64 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.39 3dem n GLU 64 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 29.80 3dem n GLU 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3dem n ASP 65 N -1.80 0.00 -3.66 -1.84 3.85 -1.26 -5.10 116.55 106.74 3dem n ASP 65 Ca 0.04 -1.15 -0.07 0.00 -0.71 0.00 0.00 54.79 52.91 3dem n ASP 65 Cb 0.27 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 39.93 3dem n ASP 65 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 3dem s GLN 66 N 0.00 0.51 -0.27 0.11 0.74 -1.25 -5.13 119.66 114.38 3dem s GLN 66 Ca 0.00 1.12 -0.25 0.00 0.05 0.00 0.00 55.36 56.29 3dem s GLN 66 Cb 0.00 0.31 -0.00 0.00 1.10 0.00 0.00 33.01 34.42 3dem s GLN 66 CO 0.00 -0.19 0.85 0.08 -0.55 0.00 0.00 175.29 175.49 3dem s VAL 67 N 2.08 4.78 -0.06 1.34 1.01 -1.26 0.22 120.40 128.52 3dem s VAL 67 Ca -0.07 1.50 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 3dem s VAL 67 Cb -0.09 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.82 3dem s VAL 67 CO -0.16 -0.17 0.71 -0.07 0.00 0.00 0.00 175.10 175.41 3dem h LEU 68 N 9.36 0.55 -7.00 3.92 3.38 -0.89 -3.48 115.31 121.14 3dem h LEU 68 Ca -0.23 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 56.83 3dem h LEU 68 Cb 1.09 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.47 3dem h LEU 68 CO 0.90 1.66 0.31 0.00 0.09 0.00 0.00 178.44 181.40 3dem s ALA 69 N -2.52 -1.79 -0.06 1.53 0.00 -0.45 -5.01 121.76 113.46 3dem s ALA 69 Ca -0.16 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3dem s ALA 69 Cb 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3dem s ALA 69 CO 0.83 -0.44 -0.04 0.99 0.00 0.00 0.00 175.76 177.11 3dem s THR 70 N -1.68 0.53 0.09 0.00 2.01 -1.26 -0.08 115.64 115.24 3dem s THR 70 Ca -0.06 -0.07 0.10 0.00 0.31 0.00 0.00 61.69 61.97 3dem s THR 70 Cb -0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 3dem s THR 70 CO 0.03 0.24 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.59 3dem s PHE 71 N 1.22 2.22 0.36 4.92 0.08 0.09 -4.95 117.98 121.93 3dem s PHE 71 Ca -0.06 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.43 3dem s PHE 71 Cb -0.14 -1.26 0.06 0.00 -0.57 0.00 0.00 43.02 41.11 3dem s PHE 71 CO -0.02 0.23 0.82 0.00 -0.10 0.00 0.00 175.22 176.15 3dem n GLY 73 N -0.55 -0.46 3.46 0.00 0.00 -0.99 -2.71 105.19 103.93 3dem n GLY 73 Ca -0.08 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 3dem n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dem s ARG 74 N -1.21 3.10 0.52 1.61 1.70 -1.21 -0.84 118.95 122.62 3dem s ARG 74 Ca 0.00 -0.63 0.20 0.00 -0.47 0.00 0.00 55.73 54.83 3dem s ARG 74 Cb 0.00 -2.61 1.31 0.00 -0.57 0.00 0.00 34.95 33.07 3dem s ARG 74 CO 0.00 0.41 2.07 1.05 -1.08 0.00 0.00 175.30 177.75 3dem h GLU 75 N 6.09 0.03 0.00 3.89 4.11 -1.83 -2.93 114.58 123.95 3dem h GLU 75 Ca -0.36 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 3dem h GLU 75 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dem h GLU 75 CO 0.55 0.02 0.00 2.41 0.07 0.00 0.00 179.01 182.06 3dem n THR 76 N -4.46 0.00 -1.78 -1.06 -1.04 -1.26 -4.59 114.28 100.08 3dem n THR 76 Ca 0.04 1.43 -0.41 0.00 -2.04 0.00 0.00 64.05 63.06 3dem n THR 76 Cb 0.34 -2.29 -0.01 0.00 -1.82 0.00 0.00 70.33 66.54 3dem n THR 76 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3dem s THR 77 N -2.72 2.03 0.43 12.58 2.01 -1.11 -5.01 115.64 123.85 3dem s THR 77 Ca 0.00 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.10 3dem s THR 77 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3dem s THR 77 CO 0.00 0.01 0.24 -0.62 -0.69 0.00 0.00 174.62 173.55 3dem s ASP 78 N 0.24 4.57 -0.40 3.53 3.68 -1.26 -4.58 116.67 122.46 3dem s ASP 78 Ca 0.59 -1.03 -0.01 0.00 2.13 0.00 0.00 52.55 54.23 3dem s ASP 78 Cb -0.48 -0.41 0.00 0.00 -1.45 0.00 0.00 42.92 40.59 3dem s ASP 78 CO 0.54 -0.62 0.34 0.41 0.13 0.00 0.00 175.17 175.97 3dem n THR 79 N -1.35 -1.70 -4.46 1.71 -1.04 -1.26 -5.07 114.28 101.12 3dem n THR 79 Ca -0.00 -0.12 -0.23 0.00 -2.04 0.00 0.00 64.05 61.65 3dem n THR 79 Cb 0.64 -3.06 -0.09 0.00 -1.82 0.00 0.00 70.33 66.00 3dem n THR 79 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dem s GLU 80 N -4.68 1.81 -0.34 -2.82 0.41 -1.26 -5.06 118.70 106.76 3dem s GLU 80 Ca 0.05 -2.08 0.08 0.00 -0.41 0.00 0.00 54.97 52.61 3dem s GLU 80 Cb -0.02 -0.50 0.61 0.00 -1.78 0.00 0.00 34.13 32.43 3dem s GLU 80 CO 0.24 -0.44 1.68 1.04 -0.49 0.00 0.00 175.26 177.28 3dem n GLN 81 N -0.80 2.39 -1.94 1.61 6.02 -1.25 -4.98 117.38 118.43 3dem n GLN 81 Ca -0.03 -3.08 -0.31 0.00 -0.01 0.00 0.00 57.00 53.56 3dem n GLN 81 Cb 0.65 -2.01 0.01 0.00 1.02 0.00 0.00 30.24 29.90 3dem n GLN 81 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3dem s THR 82 N -3.19 4.60 0.27 5.09 -4.23 -1.10 -2.38 115.64 114.70 3dem s THR 82 Ca 0.50 0.92 0.13 0.00 -1.18 0.00 0.00 61.69 62.06 3dem s THR 82 Cb 0.43 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 70.51 3dem s THR 82 CO 0.07 -1.02 1.68 1.55 -0.54 0.00 0.00 174.62 176.35 3dem h PRO 83 N -0.11 0.00 0.00 3.99 0.13 -1.94 -3.49 132.00 130.59 3dem h PRO 83 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dem h PRO 83 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dem h PRO 83 CO 0.61 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 3dem n GLY 84 N 0.10 3.15 0.69 1.56 0.00 -1.26 -2.06 105.19 107.38 3dem n GLY 84 Ca -0.01 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.83 3dem n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dem n GLN 85 N 13.94 1.91 -2.46 1.61 1.13 -1.26 -4.57 117.38 127.68 3dem n GLN 85 Ca 0.00 -1.37 -0.40 0.00 -1.94 0.00 0.00 57.00 53.28 3dem n GLN 85 Cb 0.00 -1.42 -0.04 0.00 0.11 0.00 0.00 30.24 28.89 3dem n GLN 85 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dem s GLU 86 N -1.74 4.62 -0.08 -1.09 0.41 -0.87 -4.95 118.70 115.00 3dem s GLU 86 Ca 0.34 1.81 -0.14 0.00 -0.41 0.00 0.00 54.97 56.56 3dem s GLU 86 Cb 0.19 -3.20 -0.05 0.00 -1.78 0.00 0.00 34.13 29.29 3dem s GLU 86 CO 0.28 0.16 0.36 0.08 -0.49 0.00 0.00 175.26 175.64 3dem s VAL 87 N -0.95 5.19 -0.28 2.63 1.01 -1.26 -4.59 120.40 122.15 3dem s VAL 87 Ca 0.46 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 3dem s VAL 87 Cb -0.32 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3dem s VAL 87 CO 0.40 0.48 0.17 -0.69 0.00 0.00 0.00 175.10 175.46 3dem s VAL 88 N -0.33 5.05 -0.18 2.92 1.01 0.13 -4.92 120.40 124.08 3dem s VAL 88 Ca 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3dem s VAL 88 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3dem s VAL 88 CO 0.09 0.24 -0.01 -0.22 0.00 0.00 0.00 175.10 175.20 3dem s LEU 89 N 1.72 3.29 0.38 3.92 2.96 -1.26 -0.57 118.68 129.12 3dem s LEU 89 Ca 0.07 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.59 3dem s LEU 89 Cb -0.16 -1.81 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 3dem s LEU 89 CO 0.09 0.12 1.00 -0.94 -1.32 0.00 0.00 176.35 175.30 3dem s SER 90 N 0.66 6.96 0.28 3.68 1.04 -0.12 -4.97 113.70 121.23 3dem s SER 90 Ca -0.01 1.91 0.03 0.00 0.48 0.00 0.00 55.95 58.37 3dem s SER 90 Cb -0.14 -2.57 0.40 0.00 0.10 0.00 0.00 66.02 63.81 3dem s SER 90 CO 0.02 -0.34 1.69 -0.65 0.98 0.00 0.00 173.24 174.95 3dem h PRO 91 N 2.59 0.40 0.00 4.02 0.11 -1.91 -3.39 132.00 133.82 3dem h PRO 91 Ca -0.48 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3dem h PRO 91 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dem h PRO 91 CO 0.63 0.69 0.00 0.41 -0.21 0.00 0.00 178.00 179.52 3dem n GLY 92 N -0.25 5.18 1.88 -0.55 0.00 -1.26 -4.98 105.19 105.21 3dem n GLY 92 Ca -0.01 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.45 3dem n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dem n SER 93 N 0.00 5.40 -3.95 1.61 3.41 -1.25 -3.81 113.62 115.05 3dem n SER 93 Ca 0.00 -2.96 -0.16 0.00 -0.26 0.00 0.00 58.87 55.49 3dem n SER 93 Cb 0.00 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.11 3dem n SER 93 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3dem s PHE 94 N -2.74 0.45 -0.08 7.33 5.36 -1.26 -1.45 117.98 125.58 3dem s PHE 94 Ca 0.53 -0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.38 3dem s PHE 94 Cb 0.41 -0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.83 3dem s PHE 94 CO 0.15 -0.02 0.19 1.41 -1.46 0.00 0.00 175.22 175.49 3dem s MET 95 N -0.03 0.14 -0.09 10.12 -2.45 -0.02 -4.70 119.30 122.27 3dem s MET 95 Ca 0.01 0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 3dem s MET 95 Cb -0.03 -0.15 -0.02 0.00 1.25 0.00 0.00 34.83 35.88 3dem s MET 95 CO -0.00 -0.16 -0.13 0.45 1.05 0.00 0.00 175.02 176.22 3dem s SER 96 N 1.19 4.04 -0.10 1.11 0.15 0.12 0.17 113.70 120.39 3dem s SER 96 Ca -0.09 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.33 3dem s SER 96 Cb -0.11 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.02 3dem s SER 96 CO -0.07 0.27 -0.15 -0.63 1.20 0.00 0.00 173.24 173.86 3dem s ILE 97 N -0.26 1.43 -0.14 6.45 1.01 -0.01 -0.81 121.20 128.87 3dem s ILE 97 Ca 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3dem s ILE 97 Cb -0.13 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3dem s ILE 97 CO 0.03 0.43 -0.20 -0.89 0.00 0.00 0.00 174.94 174.31 3dem s THR 98 N 0.86 1.90 -0.25 2.92 2.01 -0.23 0.22 115.64 123.08 3dem s THR 98 Ca -0.10 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.92 3dem s THR 98 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 3dem s THR 98 CO 0.01 0.52 0.16 0.12 -0.69 0.00 0.00 174.62 174.74 3dem s PHE 99 N 0.93 3.29 -0.03 4.92 5.36 -0.08 -0.53 117.98 131.84 3dem s PHE 99 Ca -0.05 0.18 0.06 0.00 -0.96 0.00 0.00 56.93 56.16 3dem s PHE 99 Cb -0.15 -2.29 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 3dem s PHE 99 CO -0.03 0.01 -0.22 0.50 -1.46 0.00 0.00 175.22 174.01 3dem s ARG 100 N 1.20 2.04 -0.12 10.12 3.52 -0.17 -1.61 118.95 133.93 3dem s ARG 100 Ca 0.07 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3dem s ARG 100 Cb -0.14 -1.84 0.02 0.00 -1.56 0.00 0.00 34.95 31.42 3dem s ARG 100 CO 0.06 0.41 -0.13 0.45 -0.81 0.00 0.00 175.30 175.27 3dem s SER 101 N -0.30 2.44 0.44 -2.12 0.15 0.23 -1.62 113.70 112.92 3dem s SER 101 Ca 0.02 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.26 3dem s SER 101 Cb -0.11 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 3dem s SER 101 CO 0.01 -0.03 0.00 -0.90 1.20 0.00 0.00 173.24 173.52 3dem n ASP 102 N 4.50 -0.12 0.14 5.45 5.75 -1.26 -2.11 116.55 128.90 3dem n ASP 102 Ca -0.17 -0.38 0.13 0.00 -0.01 0.00 0.00 54.79 54.35 3dem n ASP 102 Cb 0.51 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.94 3dem n ASP 102 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 3dem h PHE 103 N -0.57 0.00 -3.67 2.11 -1.00 -1.95 0.25 116.94 112.10 3dem h PHE 103 Ca 0.00 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.03 3dem h PHE 103 Cb 0.00 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 39.27 3dem h PHE 103 CO 0.00 0.00 -0.10 0.45 -1.61 0.00 0.00 178.31 177.05 3dem s SER 104 N -5.03 6.15 -0.62 2.17 0.15 -1.26 -4.77 113.70 110.50 3dem s SER 104 Ca 0.09 -2.68 0.03 0.00 0.70 0.00 0.00 55.95 54.10 3dem s SER 104 Cb 0.10 -2.08 0.37 0.00 -1.71 0.00 0.00 66.02 62.71 3dem s SER 104 CO 0.61 -0.52 1.28 -3.20 1.20 0.00 0.00 173.24 172.61 3dem n ASN 105 N 3.89 5.39 0.02 5.45 5.15 -1.26 -4.87 115.26 129.03 3dem n ASN 105 Ca 0.10 -3.72 -0.05 0.00 -0.60 0.00 0.00 54.58 50.30 3dem n ASN 105 Cb 0.43 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 3dem n ASN 105 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3dem h GLU 106 N 2.97 -0.20 -7.07 1.20 4.39 -2.00 -3.41 114.58 110.46 3dem h GLU 106 Ca 0.31 0.01 -0.51 0.00 0.34 0.00 0.00 59.36 59.52 3dem h GLU 106 Cb 0.57 0.05 0.08 0.00 -0.10 0.00 0.00 28.75 29.35 3dem h GLU 106 CO 0.97 -0.13 0.45 -1.21 -1.16 0.00 0.00 179.01 177.93 3dem s GLU 107 N -3.79 3.35 -0.87 2.33 2.02 -1.26 -4.99 118.70 115.48 3dem s GLU 107 Ca -0.05 1.69 -0.09 0.00 0.02 0.00 0.00 54.97 56.54 3dem s GLU 107 Cb 0.02 -2.06 0.22 0.00 0.10 0.00 0.00 34.13 32.41 3dem s GLU 107 CO 0.18 -0.87 0.80 1.03 0.02 0.00 0.00 175.26 176.41 3dem s ARG 108 N -3.19 3.54 0.16 1.61 3.00 -1.26 -5.05 118.95 117.76 3dem s ARG 108 Ca 0.72 -2.77 -0.26 0.00 0.00 0.00 0.00 55.73 53.42 3dem s ARG 108 Cb -0.26 -4.28 -0.08 0.00 0.00 0.00 0.00 34.95 30.33 3dem s ARG 108 CO 0.30 -1.26 0.82 -0.06 0.00 0.00 0.00 175.30 175.10 3dem s PHE 109 N -0.42 3.90 -2.37 -0.53 0.40 -1.26 -4.82 117.98 112.87 3dem s PHE 109 Ca 0.22 1.68 0.22 0.00 -0.60 0.00 0.00 56.93 58.45 3dem s PHE 109 Cb -0.11 -2.83 0.72 0.00 0.51 0.00 0.00 43.02 41.30 3dem s PHE 109 CO -0.08 0.45 1.54 0.25 0.70 0.00 0.00 175.22 178.08 3dem n THR 110 N 1.81 0.21 -3.75 0.64 -2.24 -1.20 -2.04 114.28 107.71 3dem n THR 110 Ca -0.04 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3dem n THR 110 Cb 0.49 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3dem n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dem n GLY 111 N 1.20 0.35 3.21 3.38 0.00 -0.46 -4.65 105.19 108.21 3dem n GLY 111 Ca 0.17 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3dem n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dem s PHE 112 N 0.00 0.40 -0.10 1.61 -0.12 -1.26 0.73 117.98 119.24 3dem s PHE 112 Ca 0.00 -0.82 -0.01 0.00 -0.05 0.00 0.00 56.93 56.04 3dem s PHE 112 Cb 0.00 -0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 3dem s PHE 112 CO 0.00 -0.55 -0.02 0.34 -0.05 0.00 0.00 175.22 174.94 3dem s ASP 113 N -2.93 1.93 0.14 1.98 2.15 -0.47 -2.29 116.67 117.19 3dem s ASP 113 Ca 0.11 -0.24 0.08 0.00 0.43 0.00 0.00 52.55 52.92 3dem s ASP 113 Cb 0.05 -0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 42.06 3dem s ASP 113 CO -0.06 -0.19 -0.17 0.00 -0.17 0.00 0.00 175.17 174.58 3dem s ALA 114 N 1.88 1.78 -0.01 3.66 0.00 0.14 -0.96 121.76 128.25 3dem s ALA 114 Ca 0.04 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3dem s ALA 114 Cb -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3dem s ALA 114 CO -0.06 0.22 -0.06 -1.01 0.00 0.00 0.00 175.76 174.85 3dem s HIS 115 N -1.86 0.53 0.12 0.00 3.76 -0.34 -0.57 115.29 116.94 3dem s HIS 115 Ca 0.11 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 3dem s HIS 115 Cb -0.07 -0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 3dem s HIS 115 CO 0.05 -0.03 -0.07 1.52 -0.85 0.00 0.00 174.74 175.36 3dem s TYR 116 N -0.02 1.05 0.02 1.40 -0.85 -0.50 -1.52 117.35 116.93 3dem s TYR 116 Ca 0.01 -0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 55.42 3dem s TYR 116 Cb -0.04 -0.57 0.07 0.00 0.38 0.00 0.00 41.96 41.80 3dem s TYR 116 CO -0.00 -0.07 0.62 0.00 -1.52 0.00 0.00 175.55 174.58 3dem s MET 117 N -3.81 1.10 0.28 -3.49 0.23 -0.73 -1.54 119.30 111.34 3dem s MET 117 Ca 0.14 -0.02 -0.29 0.00 -1.03 0.00 0.00 55.69 54.50 3dem s MET 117 Cb 0.04 0.51 -0.10 0.00 -1.53 0.00 0.00 34.83 33.76 3dem s MET 117 CO -0.02 -0.39 1.18 0.00 -2.03 0.00 0.00 175.02 173.76 3dem s ALA 118 N -2.03 3.44 -0.08 3.16 0.00 0.13 -1.46 121.76 124.92 3dem s ALA 118 Ca -0.07 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.94 3dem s ALA 118 Cb -0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3dem s ALA 118 CO 0.02 -0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.35 3dem s VAL 119 N -0.96 1.53 0.27 0.00 1.01 0.22 -4.91 120.40 117.55 3dem s VAL 119 Ca 0.47 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3dem s VAL 119 Cb -0.35 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.57 3dem s VAL 119 CO 0.44 0.44 1.54 -0.62 0.00 0.00 0.00 175.10 176.90 3dem s ASP 120 N 0.55 6.49 -0.04 3.32 2.15 -1.26 -0.04 116.67 127.84 3dem s ASP 120 Ca -0.16 2.82 -0.30 0.00 0.43 0.00 0.00 52.55 55.34 3dem s ASP 120 Cb -0.17 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.80 3dem s ASP 120 CO 0.06 -0.83 1.04 -0.69 -0.17 0.00 0.00 175.17 174.57 3dem s VAL 121 N 0.10 4.69 -0.90 1.11 1.01 -0.15 -4.82 120.40 121.43 3dem s VAL 121 Ca 0.62 1.94 -0.18 0.00 0.00 0.00 0.00 61.98 64.37 3dem s VAL 121 Cb -0.45 -4.25 0.14 0.00 0.00 0.00 0.00 36.38 31.82 3dem s VAL 121 CO 0.45 0.08 1.06 -0.62 0.00 0.00 0.00 175.10 176.06 3dem s ASP 122 N 1.10 6.64 0.55 3.32 -1.08 -1.26 -4.81 116.67 121.13 3dem s ASP 122 Ca 0.52 -2.12 0.28 0.00 -0.52 0.00 0.00 52.55 50.71 3dem s ASP 122 Cb -0.21 -2.37 1.61 0.00 -1.46 0.00 0.00 42.92 40.49 3dem s ASP 122 CO 0.23 -0.99 2.15 -0.33 0.52 0.00 0.00 175.17 176.75 3dem h GLU 123 N 8.68 0.00 0.00 4.34 3.07 -1.90 0.17 114.58 128.94 3dem h GLU 123 Ca 0.13 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 3dem h GLU 123 Cb 1.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 3dem h GLU 123 CO 1.05 0.07 -0.34 0.00 -1.40 0.00 0.00 179.01 178.39 3dem n LYS 125 N -3.62 0.62 -0.84 0.00 4.76 -0.59 -5.07 118.16 113.42 3dem n LYS 125 Ca -0.01 0.34 -0.17 0.00 -2.87 0.00 0.00 58.31 55.61 3dem n LYS 125 Cb 0.46 -1.61 0.11 0.00 -1.84 0.00 0.00 35.03 32.15 3dem n LYS 125 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dem n GLU 126 N -4.03 1.86 -2.23 1.97 1.02 -0.05 -5.12 120.64 114.05 3dem n GLU 126 Ca -0.43 -1.99 -0.00 0.00 -0.02 0.00 0.00 57.16 54.72 3dem n GLU 126 Cb 0.87 -1.78 -0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3dem n GLU 126 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dem n LEU 132 N -0.49 -0.01 -4.68 -4.62 4.77 -1.26 -4.89 117.00 105.82 3dem n LEU 132 Ca 0.39 0.41 -0.27 0.00 -0.03 0.00 0.00 56.01 56.51 3dem n LEU 132 Cb 1.16 -0.92 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 3dem n LEU 132 CO 0.42 -0.00 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.30 3dem s SER 133 N -1.82 4.11 0.26 -1.43 1.04 -1.26 -5.09 113.70 109.50 3dem s SER 133 Ca 0.00 -1.29 -0.31 0.00 0.48 0.00 0.00 55.95 54.83 3dem s SER 133 Cb 0.00 -0.32 -0.12 0.00 0.10 0.00 0.00 66.02 65.67 3dem s SER 133 CO 0.00 -0.54 1.60 0.00 0.98 0.00 0.00 173.24 175.28 3dem h ASP 135 N 5.26 -0.03 0.00 0.00 3.58 -1.73 -3.44 116.42 120.06 3dem h ASP 135 Ca -0.46 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 56.84 3dem h ASP 135 Cb 1.23 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3dem h ASP 135 CO 0.83 0.13 0.00 1.41 -2.88 0.00 0.00 179.24 178.74 3dem n HIS 136 N -5.03 0.00 -4.17 0.28 8.25 -1.26 -5.02 115.22 108.27 3dem n HIS 136 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 3dem n HIS 136 Cb 0.11 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 3dem n HIS 136 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3dem s TYR 137 N 0.00 3.31 -0.10 4.41 2.02 -0.78 -5.01 117.35 121.20 3dem s TYR 137 Ca 0.00 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 3dem s TYR 137 Cb 0.00 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3dem s TYR 137 CO 0.00 0.50 -0.09 0.00 -1.57 0.00 0.00 175.55 174.39 3dem s HIS 139 N -0.27 2.42 0.11 0.00 0.09 0.39 -4.99 115.29 113.03 3dem s HIS 139 Ca 0.03 -1.41 -0.17 0.00 -0.00 0.00 0.00 55.06 53.52 3dem s HIS 139 Cb -0.13 -1.73 -0.07 0.00 -0.00 0.00 0.00 32.58 30.66 3dem s HIS 139 CO 0.03 -0.73 0.55 1.21 -0.00 0.00 0.00 174.74 175.80 3dem s ASN 140 N 1.40 6.93 0.27 1.40 2.47 -1.26 -1.46 114.94 124.70 3dem s ASN 140 Ca 0.05 1.16 0.01 0.00 0.42 0.00 0.00 52.86 54.50 3dem s ASN 140 Cb -0.13 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.32 3dem s ASN 140 CO -0.12 0.19 0.25 -0.72 -3.72 0.00 0.00 177.10 172.99 3dem s TYR 141 N -1.29 1.34 -0.37 0.43 -0.85 -0.92 -4.99 117.35 110.70 3dem s TYR 141 Ca 0.33 -1.44 -0.29 0.00 -0.52 0.00 0.00 57.07 55.15 3dem s TYR 141 Cb -0.17 -0.51 -0.00 0.00 0.38 0.00 0.00 41.96 41.65 3dem s TYR 141 CO 0.19 -0.82 1.53 0.42 -1.52 0.00 0.00 175.55 175.35 3dem s ILE 142 N -3.73 3.78 0.00 -3.49 1.01 -1.26 -2.71 121.20 114.80 3dem s ILE 142 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.83 3dem s ILE 142 Cb 0.04 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3dem s ILE 142 CO 0.19 -0.61 0.00 0.61 0.00 0.00 0.00 174.94 175.13 3dem n GLY 143 N 5.11 0.03 0.00 6.18 0.00 -1.26 -5.01 105.19 110.24 3dem n GLY 143 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3dem n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dem n GLY 144 N -1.99 2.06 3.78 -0.02 0.00 -1.10 -4.42 105.19 103.50 3dem n GLY 144 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 3dem n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dem s TYR 145 N -2.60 -0.20 0.18 1.61 -0.85 -1.26 -2.18 117.35 112.05 3dem s TYR 145 Ca 0.00 -0.18 -0.14 0.00 -0.52 0.00 0.00 57.07 56.23 3dem s TYR 145 Cb 0.00 0.67 0.01 0.00 0.38 0.00 0.00 41.96 43.02 3dem s TYR 145 CO 0.00 -1.05 0.42 1.52 -1.52 0.00 0.00 175.55 174.92 3dem s TYR 146 N -3.66 0.08 0.17 -3.49 -0.85 -0.54 -4.98 117.35 104.08 3dem s TYR 146 Ca 0.11 -0.43 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 3dem s TYR 146 Cb -0.04 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 3dem s TYR 146 CO 0.03 -0.83 0.11 0.00 -1.52 0.00 0.00 175.55 173.34 3dem s SER 148 N -3.08 0.78 0.25 0.00 1.04 -0.61 -4.96 113.70 107.11 3dem s SER 148 Ca 0.30 -1.47 0.10 0.00 0.48 0.00 0.00 55.95 55.37 3dem s SER 148 Cb -0.10 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 3dem s SER 148 CO 0.22 -1.06 -0.18 0.00 0.98 0.00 0.00 173.24 173.20 3dem s ARG 150 N -3.49 2.24 -0.00 0.00 0.52 -1.26 -4.88 118.95 112.08 3dem s ARG 150 Ca 0.26 1.73 -0.37 0.00 -0.52 0.00 0.00 55.73 56.83 3dem s ARG 150 Cb -0.04 -1.85 -0.16 0.00 0.52 0.00 0.00 34.95 33.42 3dem s ARG 150 CO 0.12 -1.75 1.48 0.34 0.02 0.00 0.00 175.30 175.51 3dem n PHE 151 N -2.63 1.75 -0.03 -0.53 7.35 -1.26 -1.23 117.46 120.88 3dem n PHE 151 Ca 0.13 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 3dem n PHE 151 Cb 0.50 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.94 3dem n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dem n GLY 152 N 3.08 0.34 3.68 7.13 0.00 -1.26 -5.07 105.19 113.09 3dem n GLY 152 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3dem n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dem s TYR 153 N -2.09 2.70 -0.09 1.61 2.02 -0.36 -4.72 117.35 116.41 3dem s TYR 153 Ca 0.00 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3dem s TYR 153 Cb 0.00 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 3dem s TYR 153 CO 0.00 0.53 -0.17 0.42 -1.57 0.00 0.00 175.55 174.76 3dem s ILE 154 N -2.36 1.54 0.09 2.71 1.01 0.10 -4.83 121.20 119.46 3dem s ILE 154 Ca 0.33 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 3dem s ILE 154 Cb -0.05 -1.38 -0.09 0.00 0.01 0.00 0.00 42.46 40.96 3dem s ILE 154 CO 0.21 0.45 1.64 -0.22 0.00 0.00 0.00 174.94 177.01 3dem s LEU 155 N 0.72 4.37 0.98 2.97 2.96 -1.26 -0.55 118.68 128.87 3dem s LEU 155 Ca -0.12 2.51 -0.14 0.00 -0.22 0.00 0.00 54.13 56.15 3dem s LEU 155 Cb -0.16 -3.57 0.18 0.00 0.50 0.00 0.00 46.19 43.14 3dem s LEU 155 CO 0.03 -0.87 1.17 -2.28 -1.32 0.00 0.00 176.35 173.08 3dem s HIS 156 N 2.38 1.92 -1.11 5.38 5.65 0.29 -4.89 115.29 124.92 3dem s HIS 156 Ca 0.73 0.66 0.13 0.00 0.25 0.00 0.00 55.06 56.83 3dem s HIS 156 Cb -0.40 -3.57 0.57 0.00 -1.18 0.00 0.00 32.58 28.00 3dem s HIS 156 CO 0.32 -2.71 1.39 0.25 -0.65 0.00 0.00 174.74 173.34 3dem n THR 157 N -3.95 1.00 1.57 0.89 -2.24 -1.26 -1.14 114.28 109.16 3dem n THR 157 Ca 0.10 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 3dem n THR 157 Cb 0.59 -1.03 0.65 0.00 -2.10 0.00 0.00 70.33 68.44 3dem n THR 157 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dem n ASP 158 N -1.45 0.76 -1.31 3.42 5.68 -1.26 -4.91 116.55 117.47 3dem n ASP 158 Ca 0.04 -1.03 -0.16 0.00 -0.50 0.00 0.00 54.79 53.14 3dem n ASP 158 Cb 0.14 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.04 3dem n ASP 158 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3dem n ASN 159 N -0.55 -4.92 0.03 -1.12 3.02 -0.29 -4.74 115.26 106.69 3dem n ASN 159 Ca 0.18 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3dem n ASN 159 Cb 0.27 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 3dem n ASN 159 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3dem n ARG 160 N -2.53 0.00 -2.95 3.52 0.63 -1.26 -4.30 116.66 109.76 3dem n ARG 160 Ca -0.16 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.51 3dem n ARG 160 Cb 0.54 -0.01 -0.01 0.00 0.45 0.00 0.00 32.46 33.44 3dem n ARG 160 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3dem s THR 161 N -2.00 4.99 -0.29 5.15 -4.23 -1.26 -1.93 115.64 116.07 3dem s THR 161 Ca 0.00 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 3dem s THR 161 Cb 0.00 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 70.05 3dem s THR 161 CO 0.00 -0.73 -0.04 0.00 -0.54 0.00 0.00 174.62 173.32 3dem s ARG 163 N 1.09 2.14 0.15 0.00 1.70 0.29 -3.82 118.95 120.51 3dem s ARG 163 Ca -0.03 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.85 3dem s ARG 163 Cb -0.20 -2.55 -0.05 0.00 -0.57 0.00 0.00 34.95 31.59 3dem s ARG 163 CO -0.05 -1.01 -0.05 0.14 -1.08 0.00 0.00 175.30 173.26 3dem s VAL 164 N -2.80 0.88 -0.20 4.99 -7.23 -1.26 0.02 120.40 114.79 3dem s VAL 164 Ca 0.63 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 3dem s VAL 164 Cb -0.06 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 3dem s VAL 164 CO 0.40 -0.63 0.68 -1.61 -0.31 0.00 0.00 175.10 173.63 3dem s GLU 165 N -3.84 4.22 -0.12 4.82 0.41 -1.26 -4.67 118.70 118.26 3dem s GLU 165 Ca 0.19 0.71 0.24 0.00 -0.41 0.00 0.00 54.97 55.70 3dem s GLU 165 Cb 0.05 -3.58 0.46 0.00 -1.78 0.00 0.00 34.13 29.28 3dem s GLU 165 CO 0.01 -0.28 1.15 0.00 -0.49 0.00 0.00 175.26 175.65 3dem n SER 167 N -0.05 0.34 -3.65 0.00 7.64 -1.26 -3.48 113.62 113.16 3dem n SER 167 Ca 0.08 -0.65 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 3dem n SER 167 Cb 0.98 0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 3dem n SER 167 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3dem n ASP 168 N -0.47 4.92 -4.01 6.43 9.92 -1.26 -4.79 116.55 127.29 3dem n ASP 168 Ca 0.00 -2.80 -0.09 0.00 -0.53 0.00 0.00 54.79 51.37 3dem n ASP 168 Cb 0.02 -1.63 -0.08 0.00 -0.64 0.00 0.00 41.12 38.79 3dem n ASP 168 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3dem s ASN 169 N 2.88 0.18 -0.30 -2.24 2.20 -1.26 -5.14 114.94 111.26 3dem s ASN 169 Ca 0.51 -0.95 -0.07 0.00 -0.94 0.00 0.00 52.86 51.41 3dem s ASN 169 Cb 0.15 0.35 0.18 0.00 -2.00 0.00 0.00 41.25 39.93 3dem s ASN 169 CO -0.08 -0.79 0.82 -0.22 -2.94 0.00 0.00 177.10 173.89 3dem s LEU 170 N -2.97 -0.93 -0.33 3.54 2.96 -1.26 -4.53 118.68 115.16 3dem s LEU 170 Ca 0.16 0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 54.56 3dem s LEU 170 Cb 0.05 1.81 -0.01 0.00 0.50 0.00 0.00 46.19 48.54 3dem s LEU 170 CO -0.02 -0.17 0.43 -0.36 -1.32 0.00 0.00 176.35 174.91 3dem s PHE 171 N 2.88 3.21 0.00 5.38 0.08 0.25 -4.90 117.98 124.87 3dem s PHE 171 Ca 0.09 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.30 3dem s PHE 171 Cb -0.12 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 3dem s PHE 171 CO -0.16 -0.44 0.00 0.25 -0.10 0.00 0.00 175.22 174.77 3dem n THR 172 N 5.29 0.00 -1.68 0.64 -2.24 -1.26 -0.80 114.28 114.23 3dem n THR 172 Ca -0.07 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 3dem n THR 172 Cb 0.49 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3dem n THR 172 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dem s GLN 173 N -0.98 3.02 0.53 -0.78 -0.21 -1.26 -4.76 119.66 115.22 3dem s GLN 173 Ca 0.00 1.02 0.19 0.00 0.02 0.00 0.00 55.36 56.59 3dem s GLN 173 Cb 0.00 -2.00 1.38 0.00 1.00 0.00 0.00 33.01 33.39 3dem s GLN 173 CO 0.00 -1.04 2.16 0.00 -2.12 0.00 0.00 175.29 174.29 3dem h ARG 174 N -0.43 0.00 -4.61 2.91 2.47 -1.96 -3.43 114.38 109.33 3dem h ARG 174 Ca -0.45 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.06 3dem h ARG 174 Cb 1.21 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.38 3dem h ARG 174 CO 0.57 0.00 -0.70 0.95 0.56 0.00 0.00 179.97 181.35 3dem s THR 175 N -4.99 0.64 -0.05 2.04 -4.23 -1.26 -0.39 115.64 107.40 3dem s THR 175 Ca -0.05 -1.91 -0.31 0.00 -1.18 0.00 0.00 61.69 58.24 3dem s THR 175 Cb 0.17 -1.65 0.12 0.00 1.34 0.00 0.00 72.50 72.48 3dem s THR 175 CO 0.65 -0.88 1.35 -0.83 -0.54 0.00 0.00 174.62 174.37 3dem s GLY 176 N -3.01 -0.37 -0.04 3.99 0.00 -0.90 -4.99 107.32 102.01 3dem s GLY 176 Ca 0.11 0.60 0.05 0.00 0.00 0.00 0.00 44.72 45.47 3dem s GLY 176 CO -0.05 1.99 -0.18 0.14 0.00 0.00 0.00 173.10 174.99 3dem s VAL 177 N -2.16 1.52 -0.02 1.40 1.01 -1.26 -1.14 120.40 119.76 3dem s VAL 177 Ca 0.19 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3dem s VAL 177 Cb 0.04 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 3dem s VAL 177 CO -0.04 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.76 3dem s ILE 178 N -0.05 0.83 0.09 2.22 1.01 -0.12 -5.01 121.20 120.18 3dem s ILE 178 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3dem s ILE 178 Cb -0.11 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3dem s ILE 178 CO 0.02 0.25 0.01 0.42 0.00 0.00 0.00 174.94 175.64 3dem s THR 179 N -0.02 0.16 0.72 2.92 -4.23 -1.26 -0.34 115.64 113.60 3dem s THR 179 Ca 0.00 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 3dem s THR 179 Cb -0.07 -1.79 0.04 0.00 1.34 0.00 0.00 72.50 72.02 3dem s THR 179 CO 0.00 -0.73 1.20 -0.94 -0.54 0.00 0.00 174.62 173.62 3dem s SER 180 N -2.99 4.26 0.26 3.99 1.04 -0.70 -4.92 113.70 114.65 3dem s SER 180 Ca 0.16 2.35 -0.31 0.00 0.48 0.00 0.00 55.95 58.63 3dem s SER 180 Cb 0.08 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 3dem s SER 180 CO -0.04 -2.22 1.66 -2.84 0.98 0.00 0.00 173.24 170.78 3dem s PRO 181 N -3.90 4.11 -0.06 4.02 0.02 -1.26 -2.00 135.00 135.94 3dem s PRO 181 Ca 0.74 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.37 3dem s PRO 181 Cb -0.29 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3dem s PRO 181 CO 0.45 -0.70 0.00 -3.47 -0.33 0.00 0.00 177.00 172.95 3dem n ASP 182 N 2.94 -4.69 -4.55 2.53 2.03 -1.26 -4.34 116.55 109.22 3dem n ASP 182 Ca 0.12 0.01 -0.47 0.00 0.52 0.00 0.00 54.79 54.97 3dem n ASP 182 Cb 0.36 -2.24 -0.03 0.00 -0.72 0.00 0.00 41.12 38.50 3dem n ASP 182 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3dem n PHE 183 N -2.44 0.94 -0.65 -0.67 7.35 -0.85 -0.23 117.46 120.91 3dem n PHE 183 Ca -0.01 0.76 -0.09 0.00 -0.76 0.00 0.00 57.45 57.35 3dem n PHE 183 Cb 0.29 -2.20 0.22 0.00 0.35 0.00 0.00 39.48 38.13 3dem n PHE 183 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3dem n PRO 184 N 1.19 2.88 -1.59 -7.13 -0.04 -1.26 -5.05 135.00 123.99 3dem n PRO 184 Ca 0.13 -2.43 -0.31 0.00 -0.04 0.00 0.00 63.50 60.86 3dem n PRO 184 Cb 0.27 -2.01 0.05 0.00 -0.04 0.00 0.00 33.50 31.77 3dem n PRO 184 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dem s ASN 185 N -0.73 5.37 -0.01 3.54 0.01 0.68 -4.69 114.94 119.11 3dem s ASN 185 Ca 0.44 1.57 -0.38 0.00 -0.71 0.00 0.00 52.86 53.79 3dem s ASN 185 Cb 0.36 -2.45 -0.16 0.00 0.41 0.00 0.00 41.25 39.41 3dem s ASN 185 CO 0.10 -1.45 1.45 -2.65 -1.51 0.00 0.00 177.10 173.04 3dem n PRO 186 N -3.13 1.16 -2.33 -0.60 -0.02 -1.26 -4.64 135.00 124.18 3dem n PRO 186 Ca 0.07 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 3dem n PRO 186 Cb 0.54 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3dem n PRO 186 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3dem s TYR 187 N 1.28 2.89 0.34 6.00 -0.85 -0.75 -4.90 117.35 121.36 3dem s TYR 187 Ca 0.88 1.56 -0.29 0.00 -0.52 0.00 0.00 57.07 58.70 3dem s TYR 187 Cb -0.98 -3.28 -0.12 0.00 0.38 0.00 0.00 41.96 37.96 3dem s TYR 187 CO 0.51 -1.32 1.47 -2.30 -1.52 0.00 0.00 175.55 172.40 3dem n PRO 188 N -0.70 2.52 -1.39 -3.49 -0.02 -1.26 -4.85 135.00 125.80 3dem n PRO 188 Ca 0.08 0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 3dem n PRO 188 Cb 0.50 -2.60 0.10 0.00 -0.02 0.00 0.00 33.50 31.48 3dem n PRO 188 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3dem s LYS 189 N -1.50 1.89 -1.44 -0.52 1.02 -1.25 -4.27 119.74 113.68 3dem s LYS 189 Ca 0.58 0.80 -0.09 0.00 0.02 0.00 0.00 55.97 57.28 3dem s LYS 189 Cb -0.51 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 34.96 3dem s LYS 189 CO 0.58 -1.80 0.67 0.43 -0.92 0.00 0.00 175.35 174.32 3dem n SER 190 N -3.58 -4.92 -4.56 2.83 7.64 0.31 -3.84 113.62 107.50 3dem n SER 190 Ca 0.07 -0.44 -0.25 0.00 1.01 0.00 0.00 58.87 59.26 3dem n SER 190 Cb 0.55 -3.99 -0.09 0.00 -1.01 0.00 0.00 64.21 59.67 3dem n SER 190 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3dem s SER 191 N -2.87 3.93 -0.33 6.43 0.01 -1.01 -4.72 113.70 115.14 3dem s SER 191 Ca 0.44 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 3dem s SER 191 Cb -0.21 -0.45 0.13 0.00 0.21 0.00 0.00 66.02 65.70 3dem s SER 191 CO 0.54 -0.13 0.25 -0.70 0.41 0.00 0.00 173.24 173.61 3dem s GLU 192 N -3.63 0.45 -0.18 12.44 2.12 -1.26 -1.61 118.70 127.03 3dem s GLU 192 Ca 0.32 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 3dem s GLU 192 Cb -0.01 -0.99 -0.05 0.00 0.26 0.00 0.00 34.13 33.34 3dem s GLU 192 CO 0.17 -1.13 0.19 0.00 -0.54 0.00 0.00 175.26 173.96 3dem s LEU 194 N 0.37 3.83 -0.20 0.00 1.43 -1.23 -1.15 118.68 121.73 3dem s LEU 194 Ca 0.11 -1.27 -0.07 0.00 -1.03 0.00 0.00 54.13 51.87 3dem s LEU 194 Cb -0.12 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3dem s LEU 194 CO 0.00 -0.25 0.05 -0.31 0.23 0.00 0.00 176.35 176.08 3dem s TYR 195 N 1.24 3.17 -0.16 0.29 2.02 -0.04 -4.39 117.35 119.47 3dem s TYR 195 Ca -0.06 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3dem s TYR 195 Cb -0.20 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3dem s TYR 195 CO -0.01 -0.03 -0.20 0.99 -1.57 0.00 0.00 175.55 174.73 3dem s THR 196 N 0.75 2.03 -0.24 -0.71 2.01 -1.26 -0.85 115.64 117.37 3dem s THR 196 Ca 0.03 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3dem s THR 196 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3dem s THR 196 CO 0.02 0.54 0.10 -0.63 -0.69 0.00 0.00 174.62 173.96 3dem s ILE 197 N 1.14 4.72 -0.24 1.82 1.01 -0.19 -0.58 121.20 128.87 3dem s ILE 197 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 3dem s ILE 197 Cb -0.14 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.20 3dem s ILE 197 CO -0.09 0.35 0.02 -1.61 0.00 0.00 0.00 174.94 173.60 3dem s GLU 198 N 1.33 1.04 0.43 2.79 0.41 0.02 -1.12 118.70 123.61 3dem s GLU 198 Ca 0.06 -0.82 0.07 0.00 -0.41 0.00 0.00 54.97 53.87 3dem s GLU 198 Cb -0.15 -2.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.89 3dem s GLU 198 CO 0.05 -0.71 0.36 -0.51 -0.49 0.00 0.00 175.26 173.96 3dem s LEU 199 N 1.61 3.28 0.71 1.80 1.43 0.18 -4.24 118.68 123.44 3dem s LEU 199 Ca -0.00 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.11 3dem s LEU 199 Cb -0.18 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3dem s LEU 199 CO -0.11 -0.70 1.14 -0.70 0.23 0.00 0.00 176.35 176.21 3dem s GLU 200 N -4.12 2.43 0.14 1.70 2.12 -1.26 -4.72 118.70 114.99 3dem s GLU 200 Ca 0.46 1.49 -0.35 0.00 0.36 0.00 0.00 54.97 56.93 3dem s GLU 200 Cb -0.02 -1.90 -0.15 0.00 0.26 0.00 0.00 34.13 32.32 3dem s GLU 200 CO 0.27 -1.55 1.45 -1.91 -0.54 0.00 0.00 175.26 172.98 3dem n GLU 201 N -2.73 1.71 0.00 4.30 4.07 -1.26 -2.42 120.64 124.31 3dem n GLU 201 Ca 0.11 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.83 3dem n GLU 201 Cb 0.52 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 3dem n GLU 201 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dem n GLY 202 N 2.90 0.13 3.84 8.31 0.00 -1.26 -5.07 105.19 114.04 3dem n GLY 202 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3dem n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dem s PHE 203 N -2.00 3.60 -0.12 1.61 0.08 -1.02 -5.01 117.98 115.13 3dem s PHE 203 Ca 0.00 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.18 3dem s PHE 203 Cb 0.00 -2.40 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 3dem s PHE 203 CO 0.00 0.41 -0.19 -1.64 -0.10 0.00 0.00 175.22 173.70 3dem s MET 204 N -2.00 2.59 -0.17 0.44 -1.94 -0.37 -1.80 119.30 116.05 3dem s MET 204 Ca 0.39 -0.70 -0.22 0.00 -1.71 0.00 0.00 55.69 53.45 3dem s MET 204 Cb -0.15 -2.12 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 3dem s MET 204 CO 0.19 -0.01 0.67 0.08 -0.01 0.00 0.00 175.02 175.94 3dem s VAL 205 N 0.82 5.01 -0.14 -6.03 1.01 0.70 -0.03 120.40 121.75 3dem s VAL 205 Ca -0.09 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 3dem s VAL 205 Cb -0.16 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3dem s VAL 205 CO -0.00 0.12 0.08 0.20 0.00 0.00 0.00 175.10 175.50 3dem s ASN 206 N 1.12 5.86 -0.01 3.32 0.01 0.43 -1.47 114.94 124.20 3dem s ASN 206 Ca 0.31 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 3dem s ASN 206 Cb -0.16 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 3dem s ASN 206 CO 0.12 0.32 -0.16 -0.76 -1.51 0.00 0.00 177.10 175.10 3dem s LEU 207 N -0.48 2.69 -0.21 0.60 1.43 0.12 -1.56 118.68 121.27 3dem s LEU 207 Ca 0.11 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3dem s LEU 207 Cb -0.12 -1.56 0.11 0.00 0.03 0.00 0.00 46.19 44.65 3dem s LEU 207 CO 0.02 0.30 0.31 -1.58 0.23 0.00 0.00 176.35 175.64 3dem s GLN 208 N -1.07 0.27 0.43 1.70 0.74 -0.38 -0.82 119.66 120.52 3dem s GLN 208 Ca 0.13 0.49 -0.23 0.00 0.05 0.00 0.00 55.36 55.81 3dem s GLN 208 Cb -0.11 -0.60 -0.09 0.00 1.10 0.00 0.00 33.01 33.31 3dem s GLN 208 CO 0.03 -0.57 1.06 -0.06 -0.55 0.00 0.00 175.29 175.20 3dem s PHE 209 N 2.46 3.13 0.16 1.67 0.08 -1.26 -0.89 117.98 123.33 3dem s PHE 209 Ca 0.08 1.61 -0.10 0.00 0.12 0.00 0.00 56.93 58.65 3dem s PHE 209 Cb -0.15 -3.14 -0.00 0.00 -0.57 0.00 0.00 43.02 39.16 3dem s PHE 209 CO -0.13 -0.80 0.30 -1.83 -0.10 0.00 0.00 175.22 172.65 3dem s GLU 210 N -2.76 1.16 3.27 0.44 -1.05 -0.59 -4.92 118.70 114.26 3dem s GLU 210 Ca 0.62 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 3dem s GLU 210 Cb -0.21 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 3dem s GLU 210 CO 0.26 -0.43 0.00 -0.25 0.95 0.00 0.00 175.26 175.79 3dem n ASP 211 N -0.22 -0.05 -4.74 0.83 8.00 -1.26 -4.13 116.55 114.99 3dem n ASP 211 Ca -0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 3dem n ASP 211 Cb 0.63 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 3dem n ASP 211 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dem s ILE 212 N 0.00 2.22 -0.18 0.53 1.01 -1.26 -4.95 121.20 118.57 3dem s ILE 212 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3dem s ILE 212 Cb 0.00 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.40 3dem s ILE 212 CO 0.00 0.03 -0.07 0.12 0.00 0.00 0.00 174.94 175.01 3dem s PHE 213 N 0.23 2.04 -0.37 3.97 5.36 -1.26 -4.09 117.98 123.87 3dem s PHE 213 Ca 0.64 -1.33 0.04 0.00 -0.96 0.00 0.00 56.93 55.32 3dem s PHE 213 Cb -0.46 -1.47 0.16 0.00 -0.34 0.00 0.00 43.02 40.91 3dem s PHE 213 CO 0.44 -0.68 0.43 0.34 -1.46 0.00 0.00 175.22 174.29 3dem s ASP 214 N 1.52 0.56 -0.12 6.13 2.15 0.15 -4.33 116.67 122.72 3dem s ASP 214 Ca -0.00 -1.28 0.03 0.00 0.43 0.00 0.00 52.55 51.73 3dem s ASP 214 Cb -0.16 0.90 0.01 0.00 -0.30 0.00 0.00 42.92 43.36 3dem s ASP 214 CO -0.08 -0.25 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.81 3dem s ILE 215 N 1.65 2.04 0.15 4.11 1.01 -0.58 -0.84 121.20 128.75 3dem s ILE 215 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 60.65 59.48 3dem s ILE 215 Cb -0.13 -1.79 -0.16 0.00 0.01 0.00 0.00 42.46 40.39 3dem s ILE 215 CO -0.08 0.55 1.23 1.21 0.00 0.00 0.00 174.94 177.86 3dem n GLU 216 N 3.85 1.23 -3.65 2.79 2.13 -1.26 -0.56 120.64 125.17 3dem n GLU 216 Ca -0.20 0.44 -0.16 0.00 0.66 0.00 0.00 57.16 57.91 3dem n GLU 216 Cb 0.52 -1.99 -0.05 0.00 0.27 0.00 0.00 31.44 30.19 3dem n GLU 216 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3dem n ASP 217 N 2.19 0.11 -4.11 4.31 5.75 -1.26 -4.05 116.55 119.50 3dem n ASP 217 Ca 0.16 -2.57 -0.21 0.00 -0.01 0.00 0.00 54.79 52.16 3dem n ASP 217 Cb 0.24 1.03 -0.14 0.00 -1.03 0.00 0.00 41.12 41.21 3dem n ASP 217 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3dem s HIS 218 N -2.85 1.17 0.27 2.11 2.46 -1.26 -4.99 115.29 112.20 3dem s HIS 218 Ca 0.23 -0.26 0.30 0.00 0.47 0.00 0.00 55.06 55.80 3dem s HIS 218 Cb 0.01 -0.73 1.37 0.00 -0.13 0.00 0.00 32.58 33.10 3dem s HIS 218 CO 0.17 -0.00 2.00 -1.00 -2.47 0.00 0.00 174.74 173.44 3dem h PRO 219 N 5.53 0.00 0.00 2.88 0.13 -2.03 -3.35 132.00 135.16 3dem h PRO 219 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 3dem h PRO 219 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3dem h PRO 219 CO 0.47 0.10 -1.39 0.39 -0.23 0.00 0.00 178.00 177.35 3dem n GLU 220 N -3.35 1.19 -4.14 0.86 -0.58 -1.26 -5.01 120.64 108.35 3dem n GLU 220 Ca -0.01 0.03 -0.34 0.00 -0.42 0.00 0.00 57.16 56.42 3dem n GLU 220 Cb 0.30 -1.14 -0.10 0.00 -0.57 0.00 0.00 31.44 29.93 3dem n GLU 220 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dem s VAL 221 N -2.14 4.54 -0.22 2.62 1.01 -1.26 -5.05 120.40 119.91 3dem s VAL 221 Ca -0.07 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3dem s VAL 221 Cb 0.02 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3dem s VAL 221 CO 0.18 0.49 1.93 -2.16 0.00 0.00 0.00 175.10 175.55 3dem s PRO 222 N 0.17 3.45 -0.95 2.72 0.04 -1.26 -4.13 135.00 135.04 3dem s PRO 222 Ca 0.03 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 3dem s PRO 222 Cb -0.13 -4.22 0.02 0.00 0.04 0.00 0.00 34.50 30.21 3dem s PRO 222 CO 0.01 -1.72 0.60 0.00 0.04 0.00 0.00 177.00 175.93 3dem n PRO 224 N -3.58 0.02 0.00 0.00 -0.04 -1.26 -4.63 135.00 125.52 3dem n PRO 224 Ca -0.22 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 3dem n PRO 224 Cb 0.60 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3dem n PRO 224 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dem n TYR 225 N -1.56 0.00 -4.42 0.54 4.01 -1.26 -5.08 117.16 109.39 3dem n TYR 225 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3dem n TYR 225 Cb 0.35 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.28 3dem n TYR 225 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3dem s ASP 226 N -3.53 3.80 -0.15 7.72 1.01 -1.26 -3.84 116.67 120.41 3dem s ASP 226 Ca 0.00 -0.91 -0.33 0.00 0.71 0.00 0.00 52.55 52.02 3dem s ASP 226 Cb 0.00 -0.43 0.13 0.00 1.01 0.00 0.00 42.92 43.64 3dem s ASP 226 CO 0.00 0.05 1.14 -0.72 0.21 0.00 0.00 175.17 175.84 3dem s TYR 227 N -2.32 -0.18 -0.12 4.23 -0.85 -0.63 -4.74 117.35 112.73 3dem s TYR 227 Ca 0.29 0.13 -0.03 0.00 -0.52 0.00 0.00 57.07 56.95 3dem s TYR 227 Cb -0.06 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 3dem s TYR 227 CO 0.15 -0.27 -0.03 0.42 -1.52 0.00 0.00 175.55 174.30 3dem s ILE 228 N -2.43 4.00 0.05 -3.49 1.01 -0.40 -0.83 121.20 119.12 3dem s ILE 228 Ca 0.08 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.48 3dem s ILE 228 Cb -0.01 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3dem s ILE 228 CO -0.05 0.54 -0.24 -0.54 0.00 0.00 0.00 174.94 174.65 3dem s LYS 229 N -0.18 1.86 -0.20 2.79 1.02 0.23 -0.46 119.74 124.80 3dem s LYS 229 Ca 0.04 -1.09 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 3dem s LYS 229 Cb -0.13 -2.04 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 3dem s LYS 229 CO 0.02 0.52 -0.05 0.42 -0.92 0.00 0.00 175.35 175.34 3dem s ILE 230 N -0.87 1.29 -0.26 2.17 1.01 -0.33 -0.05 121.20 124.16 3dem s ILE 230 Ca 0.13 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3dem s ILE 230 Cb -0.10 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3dem s ILE 230 CO 0.03 0.02 0.40 -0.75 0.00 0.00 0.00 174.94 174.65 3dem s LYS 231 N 1.53 4.04 -0.08 2.79 2.20 0.70 0.04 119.74 130.96 3dem s LYS 231 Ca -0.02 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 3dem s LYS 231 Cb -0.17 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 3dem s LYS 231 CO -0.07 -0.28 -0.07 0.54 -0.36 0.00 0.00 175.35 175.11 3dem s VAL 232 N 2.08 0.86 0.00 4.02 0.11 -0.17 -1.33 120.40 125.97 3dem s VAL 232 Ca 0.16 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3dem s VAL 232 Cb -0.16 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3dem s VAL 232 CO 0.10 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 3dem n GLY 233 N 4.41 1.81 1.51 6.54 0.00 -1.26 -2.36 105.19 115.84 3dem n GLY 233 Ca -0.18 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 3dem n GLY 233 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dem n PRO 234 N 6.40 1.49 -4.03 1.61 -0.04 -1.26 -4.89 135.00 134.28 3dem n PRO 234 Ca 0.00 -1.13 -0.15 0.00 -0.04 0.00 0.00 63.50 62.18 3dem n PRO 234 Cb 0.00 -1.44 -0.15 0.00 -0.04 0.00 0.00 33.50 31.87 3dem n PRO 234 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3dem s LYS 235 N -1.25 0.28 -0.18 0.54 2.20 -1.00 -5.13 119.74 115.20 3dem s LYS 235 Ca 0.21 -0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.70 3dem s LYS 235 Cb 0.18 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 3dem s LYS 235 CO 0.03 0.02 0.00 0.08 -0.36 0.00 0.00 175.35 175.13 3dem s VAL 236 N 0.18 4.11 0.03 4.02 1.01 -1.26 -1.00 120.40 127.48 3dem s VAL 236 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3dem s VAL 236 Cb -0.04 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3dem s VAL 236 CO -0.00 0.46 0.31 -0.76 0.00 0.00 0.00 175.10 175.10 3dem s LEU 237 N 0.65 4.37 0.00 3.92 1.43 0.11 -4.92 118.68 124.23 3dem s LEU 237 Ca -0.00 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 3dem s LEU 237 Cb -0.14 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3dem s LEU 237 CO 0.02 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3dem n GLY 238 N 1.10 -0.66 3.78 -3.19 0.00 -1.26 -1.18 105.19 103.78 3dem n GLY 238 Ca -0.11 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 3dem n GLY 238 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dem s PRO 239 N 0.00 3.20 -0.07 1.61 0.04 -1.26 -5.04 135.00 133.48 3dem s PRO 239 Ca 0.00 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.45 3dem s PRO 239 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3dem s PRO 239 CO 0.00 -0.93 -0.20 -0.06 0.04 0.00 0.00 177.00 175.86 3dem s PHE 240 N -2.22 2.59 0.26 0.56 0.40 0.40 -4.91 117.98 115.06 3dem s PHE 240 Ca 0.67 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 56.39 3dem s PHE 240 Cb -0.19 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.70 3dem s PHE 240 CO 0.34 -0.10 0.46 0.00 0.70 0.00 0.00 175.22 176.62 3dem n GLY 242 N -0.39 -1.86 0.48 0.00 0.00 0.27 -4.61 105.19 99.09 3dem n GLY 242 Ca -0.03 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.10 3dem n GLY 242 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dem n GLU 243 N 0.00 1.47 -4.07 1.61 1.02 -1.26 -1.53 120.64 117.88 3dem n GLU 243 Ca 0.00 -1.00 -0.32 0.00 -0.02 0.00 0.00 57.16 55.83 3dem n GLU 243 Cb 0.00 -1.39 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 3dem n GLU 243 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3dem s LYS 244 N -2.18 2.66 0.53 3.49 2.47 -1.26 -4.67 119.74 120.77 3dem s LYS 244 Ca 0.17 -0.73 -0.20 0.00 -1.56 0.00 0.00 55.97 53.65 3dem s LYS 244 Cb 0.16 -2.38 -0.06 0.00 -1.46 0.00 0.00 37.83 34.08 3dem s LYS 244 CO 0.48 -0.24 1.14 0.00 0.16 0.00 0.00 175.35 176.89 3dem s ALA 245 N 1.37 2.75 0.77 3.13 0.00 -1.26 -4.89 121.76 123.64 3dem s ALA 245 Ca 0.05 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.72 3dem s ALA 245 Cb -0.13 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.69 3dem s ALA 245 CO -0.12 -0.74 1.18 -1.25 0.00 0.00 0.00 175.76 174.83 3dem s PRO 246 N -3.16 1.90 0.84 0.00 0.04 -1.26 -4.98 135.00 128.38 3dem s PRO 246 Ca 0.71 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 3dem s PRO 246 Cb -0.25 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.58 3dem s PRO 246 CO 0.28 -1.99 1.16 -1.21 0.04 0.00 0.00 177.00 175.28 3dem s GLU 247 N -4.16 1.52 0.32 4.56 0.41 -1.26 -4.70 118.70 115.40 3dem s GLU 247 Ca 0.71 1.58 -0.27 0.00 -0.41 0.00 0.00 54.97 56.58 3dem s GLU 247 Cb -0.27 -1.78 -0.13 0.00 -1.78 0.00 0.00 34.13 30.17 3dem s GLU 247 CO 0.49 -2.26 1.02 -2.30 -0.49 0.00 0.00 175.26 171.71 3dem n PRO 248 N -3.66 1.40 -3.90 0.39 -0.02 -1.26 -4.92 135.00 123.03 3dem n PRO 248 Ca 0.12 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 3dem n PRO 248 Cb 0.52 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 3dem n PRO 248 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dem s ILE 249 N -1.12 3.26 -0.50 4.25 1.01 -0.00 -4.96 121.20 123.14 3dem s ILE 249 Ca 0.59 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 3dem s ILE 249 Cb -0.66 -2.63 0.06 0.00 0.01 0.00 0.00 42.46 39.25 3dem s ILE 249 CO 0.60 0.22 0.58 -0.44 0.00 0.00 0.00 174.94 175.89 3dem s SER 250 N 1.40 6.20 0.61 3.58 0.01 -1.26 0.12 113.70 124.37 3dem s SER 250 Ca 0.02 -1.04 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 3dem s SER 250 Cb -0.16 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.82 3dem s SER 250 CO -0.02 -0.85 0.91 0.42 0.41 0.00 0.00 173.24 174.11 3dem s THR 251 N 2.41 3.24 -0.31 1.44 -4.23 -0.54 -4.98 115.64 112.66 3dem s THR 251 Ca 0.12 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 3dem s THR 251 Cb -0.21 -3.31 0.50 0.00 1.34 0.00 0.00 72.50 70.83 3dem s THR 251 CO 0.10 -0.31 1.47 0.00 -0.54 0.00 0.00 174.62 175.35 3dem n GLN 252 N -2.64 2.03 -4.48 3.99 1.13 -1.26 -4.20 117.38 111.96 3dem n GLN 252 Ca 0.05 -3.30 -0.22 0.00 -1.94 0.00 0.00 57.00 51.60 3dem n GLN 252 Cb 0.58 -1.89 -0.14 0.00 0.11 0.00 0.00 30.24 28.91 3dem n GLN 252 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dem s SER 253 N -2.61 1.96 0.00 1.08 0.15 -1.26 -4.87 113.70 108.14 3dem s SER 253 Ca 0.46 -0.47 0.27 0.00 0.70 0.00 0.00 55.95 56.92 3dem s SER 253 Cb 0.41 -0.15 0.86 0.00 -1.71 0.00 0.00 66.02 65.44 3dem s SER 253 CO -0.00 0.09 1.63 0.00 1.20 0.00 0.00 173.24 176.16 3dem n HIS 254 N 1.94 0.00 -4.18 3.44 1.44 -0.75 -0.21 115.22 116.90 3dem n HIS 254 Ca -0.17 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.37 3dem n HIS 254 Cb 0.54 -0.15 -0.15 0.00 0.12 0.00 0.00 29.99 30.36 3dem n HIS 254 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3dem s SER 255 N -2.53 0.68 -0.03 4.39 1.04 -1.26 0.47 113.70 116.45 3dem s SER 255 Ca 0.24 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 3dem s SER 255 Cb 0.19 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3dem s SER 255 CO 0.52 0.06 0.08 -0.69 0.98 0.00 0.00 173.24 174.19 3dem s VAL 256 N -0.09 -0.00 -0.14 5.02 1.01 -0.27 -4.57 120.40 121.36 3dem s VAL 256 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3dem s VAL 256 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 3dem s VAL 256 CO -0.00 0.00 -0.13 -0.22 0.00 0.00 0.00 175.10 174.75 3dem s LEU 257 N 0.09 2.71 -0.21 3.92 2.96 -0.44 -1.03 118.68 126.68 3dem s LEU 257 Ca -0.00 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3dem s LEU 257 Cb -0.01 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3dem s LEU 257 CO -0.00 0.15 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.50 3dem s ILE 258 N 0.44 3.41 -0.19 6.68 1.01 -0.03 -0.22 121.20 132.30 3dem s ILE 258 Ca -0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3dem s ILE 258 Cb -0.16 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3dem s ILE 258 CO 0.05 0.43 0.01 -0.22 0.00 0.00 0.00 174.94 175.20 3dem s LEU 259 N 1.35 3.33 -0.22 2.97 0.20 0.93 -0.87 118.68 126.38 3dem s LEU 259 Ca 0.04 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.71 3dem s LEU 259 Cb -0.14 -1.84 0.03 0.00 -0.43 0.00 0.00 46.19 43.80 3dem s LEU 259 CO -0.02 0.09 -0.13 0.12 -0.29 0.00 0.00 176.35 176.12 3dem s PHE 260 N 0.85 2.97 -0.13 5.38 5.36 -0.30 -0.60 117.98 131.50 3dem s PHE 260 Ca 0.01 -1.67 -0.02 0.00 -0.96 0.00 0.00 56.93 54.29 3dem s PHE 260 Cb -0.14 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 3dem s PHE 260 CO 0.02 -0.77 -0.05 -1.58 -1.46 0.00 0.00 175.22 171.38 3dem s HIS 261 N 1.29 3.01 -0.02 10.12 5.65 -0.01 -1.09 115.29 134.24 3dem s HIS 261 Ca 0.01 -0.21 0.05 0.00 0.25 0.00 0.00 55.06 55.16 3dem s HIS 261 Cb -0.15 -1.89 -0.01 0.00 -1.18 0.00 0.00 32.58 29.35 3dem s HIS 261 CO -0.08 0.07 -0.16 -1.54 -0.65 0.00 0.00 174.74 172.38 3dem s SER 262 N 0.02 1.96 0.47 9.88 1.04 -0.63 -1.61 113.70 124.83 3dem s SER 262 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3dem s SER 262 Cb -0.13 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.64 3dem s SER 262 CO 0.03 0.18 0.00 -0.90 0.98 0.00 0.00 173.24 173.53 3dem n ASP 263 N 2.87 0.00 -0.67 7.02 5.75 -1.25 -2.04 116.55 128.22 3dem n ASP 263 Ca -0.16 -0.83 0.02 0.00 -0.01 0.00 0.00 54.79 53.81 3dem n ASP 263 Cb 0.54 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.73 3dem n ASP 263 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3dem n ASN 264 N -2.50 1.78 -3.73 -1.12 0.23 -1.26 -0.53 115.26 108.14 3dem n ASN 264 Ca 0.00 -2.15 -0.14 0.00 -0.53 0.00 0.00 54.58 51.76 3dem n ASN 264 Cb 0.00 -0.39 -0.09 0.00 -2.08 0.00 0.00 39.78 37.22 3dem n ASN 264 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3dem s SER 265 N -0.51 -0.29 0.00 0.53 0.15 -1.26 -4.92 113.70 107.40 3dem s SER 265 Ca 0.14 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3dem s SER 265 Cb 0.09 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 3dem s SER 265 CO 0.06 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.73 3dem n GLY 266 N 1.67 2.34 0.72 9.45 0.00 -1.26 -4.94 105.19 113.17 3dem n GLY 266 Ca -0.19 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 43.88 3dem n GLY 266 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dem n GLU 267 N 0.65 0.70 -1.71 1.61 -0.58 -1.26 -4.91 120.64 115.14 3dem n GLU 267 Ca 0.00 -2.24 -0.38 0.00 -0.42 0.00 0.00 57.16 54.13 3dem n GLU 267 Cb 0.00 -0.87 0.06 0.00 -0.57 0.00 0.00 31.44 30.06 3dem n GLU 267 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dem n ASN 268 N -0.46 1.98 0.16 1.62 3.02 -1.26 -4.43 115.26 115.88 3dem n ASN 268 Ca 0.10 0.87 0.12 0.00 -0.03 0.00 0.00 54.58 55.64 3dem n ASN 268 Cb 0.81 -1.53 0.21 0.00 -0.61 0.00 0.00 39.78 38.66 3dem n ASN 268 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3dem h ARG 269 N 0.78 0.00 0.00 3.52 3.08 -1.81 -1.99 114.38 117.96 3dem h ARG 269 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3dem h ARG 269 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3dem h ARG 269 CO 0.54 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 3dem n GLY 270 N 1.19 0.88 3.45 0.04 0.00 -0.02 -4.30 105.19 106.45 3dem n GLY 270 Ca 0.04 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 3dem n GLY 270 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dem s TRP 271 N 0.00 -0.50 -0.05 1.61 1.48 -1.26 0.33 118.94 120.55 3dem s TRP 271 Ca 0.00 0.28 -0.04 0.00 -1.06 0.00 0.00 56.10 55.28 3dem s TRP 271 Cb 0.00 0.57 0.01 0.00 -1.16 0.00 0.00 33.47 32.89 3dem s TRP 271 CO 0.00 -0.84 0.13 0.50 -4.06 0.00 0.00 176.95 172.68 3dem s ARG 272 N -3.69 0.15 0.07 3.25 3.52 -1.26 -1.71 118.95 119.27 3dem s ARG 272 Ca 0.02 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 3dem s ARG 272 Cb -0.01 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 3dem s ARG 272 CO -0.11 -0.02 -0.06 -0.48 -0.81 0.00 0.00 175.30 173.81 3dem s LEU 273 N 0.09 2.42 0.09 -0.88 0.05 0.54 -1.54 118.68 119.46 3dem s LEU 273 Ca -0.00 -0.85 0.09 0.00 0.05 0.00 0.00 54.13 53.42 3dem s LEU 273 Cb -0.01 -0.03 -0.04 0.00 -2.05 0.00 0.00 46.19 44.06 3dem s LEU 273 CO 0.00 -0.42 -0.22 -0.94 -0.55 0.00 0.00 176.35 174.22 3dem s SER 274 N -2.54 3.55 0.18 1.48 1.04 -0.07 -0.94 113.70 116.41 3dem s SER 274 Ca 0.03 -0.59 0.09 0.00 0.48 0.00 0.00 55.95 55.96 3dem s SER 274 Cb 0.01 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 3dem s SER 274 CO -0.04 0.21 -0.18 -0.72 0.98 0.00 0.00 173.24 173.49 3dem s TYR 275 N -1.00 1.85 -0.08 5.02 -0.85 -0.29 -1.25 117.35 120.75 3dem s TYR 275 Ca 0.15 -0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 3dem s TYR 275 Cb -0.10 -0.90 0.04 0.00 0.38 0.00 0.00 41.96 41.38 3dem s TYR 275 CO 0.06 0.37 0.18 1.03 -1.52 0.00 0.00 175.55 175.67 3dem s ARG 276 N -2.99 0.13 -0.41 -3.49 0.52 -0.60 -2.11 118.95 110.00 3dem s ARG 276 Ca 0.18 0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 55.61 3dem s ARG 276 Cb -0.05 -0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.28 3dem s ARG 276 CO 0.07 -0.16 0.67 0.00 0.02 0.00 0.00 175.30 175.90 3dem s ALA 277 N 1.20 3.37 -2.06 2.13 0.00 0.47 -0.43 121.76 126.44 3dem s ALA 277 Ca -0.09 -1.05 0.32 0.00 0.00 0.00 0.00 51.96 51.14 3dem s ALA 277 Cb -0.11 -3.30 1.81 0.00 0.00 0.00 0.00 23.12 21.52 3dem s ALA 277 CO -0.07 -1.67 2.17 0.00 0.00 0.00 0.00 175.76 176.19