#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpk n ASP 3 N 0.00 3.38 -4.36 0.00 2.03 -1.26 -4.89 116.55 111.45 3fpk n ASP 3 Ca 0.00 1.12 -0.18 0.00 0.52 0.00 0.00 54.79 56.25 3fpk n ASP 3 Cb 0.00 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 38.79 3fpk n ASP 3 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3fpk s TRP 4 N 0.26 1.69 0.25 -0.67 1.48 -1.26 -1.35 118.94 119.33 3fpk s TRP 4 Ca 0.69 -0.78 0.05 0.00 -1.06 0.00 0.00 56.10 54.99 3fpk s TRP 4 Cb -0.58 -0.94 -0.05 0.00 -1.16 0.00 0.00 33.47 30.74 3fpk s TRP 4 CO 0.45 0.14 -0.02 0.14 -4.06 0.00 0.00 176.95 173.59 3fpk s VAL 5 N -3.21 1.25 -0.25 -0.66 -7.23 0.91 -4.80 120.40 106.42 3fpk s VAL 5 Ca 0.27 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 58.20 3fpk s VAL 5 Cb 0.04 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3fpk s VAL 5 CO 0.09 -0.32 0.48 -0.89 -0.31 0.00 0.00 175.10 174.15 3fpk s THR 6 N -3.27 5.10 0.20 5.32 2.01 -1.26 -1.26 115.64 122.48 3fpk s THR 6 Ca 0.28 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.11 3fpk s THR 6 Cb 0.05 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3fpk s THR 6 CO 0.10 0.12 0.39 -0.83 -0.69 0.00 0.00 174.62 173.71 3fpk s GLY 7 N 1.48 1.76 -0.16 4.40 0.00 0.17 -4.60 107.32 110.36 3fpk s GLY 7 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3fpk s GLY 7 CO 0.09 -0.80 -0.16 0.54 0.00 0.00 0.00 173.10 172.77 3fpk s LYS 8 N -3.37 3.17 0.07 2.90 1.02 -0.30 -0.76 119.74 122.47 3fpk s LYS 8 Ca 0.38 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 3fpk s LYS 8 Cb -0.11 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.49 3fpk s LYS 8 CO 0.29 -0.05 1.62 0.08 -0.92 0.00 0.00 175.35 176.37 3fpk s VAL 9 N 0.96 3.07 -0.06 3.17 1.01 -0.17 -1.41 120.40 126.97 3fpk s VAL 9 Ca -0.03 0.55 0.16 0.00 0.00 0.00 0.00 61.98 62.66 3fpk s VAL 9 Cb -0.15 -3.35 -0.24 0.00 0.00 0.00 0.00 36.38 32.64 3fpk s VAL 9 CO -0.03 0.00 0.28 0.35 0.00 0.00 0.00 175.10 175.70 3fpk n THR 10 N 4.65 0.27 -3.57 3.92 -2.24 0.06 0.50 114.28 117.86 3fpk n THR 10 Ca 0.15 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3fpk n THR 10 Cb 0.41 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3fpk n THR 10 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fpk s LYS 11 N -2.94 0.97 -0.05 -0.78 2.20 -1.17 -4.81 119.74 113.17 3fpk s LYS 11 Ca -0.06 0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3fpk s LYS 11 Cb 0.09 0.46 0.03 0.00 -1.51 0.00 0.00 37.83 36.89 3fpk s LYS 11 CO 0.66 -0.29 0.00 0.08 -0.36 0.00 0.00 175.35 175.44 3fpk s VAL 12 N -1.17 0.27 -0.24 4.02 1.01 -1.26 -0.98 120.40 122.05 3fpk s VAL 12 Ca -0.11 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3fpk s VAL 12 Cb -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3fpk s VAL 12 CO 0.09 0.20 -0.06 -1.58 0.00 0.00 0.00 175.10 173.74 3fpk s GLN 13 N 1.50 2.93 -0.59 2.72 2.00 -0.35 -4.99 119.66 122.87 3fpk s GLN 13 Ca -0.03 -0.91 -0.21 0.00 -2.00 0.00 0.00 55.36 52.21 3fpk s GLN 13 Cb -0.13 -2.97 0.07 0.00 0.80 0.00 0.00 33.01 30.78 3fpk s GLN 13 CO -0.03 -0.36 0.81 -0.80 -0.50 0.00 0.00 175.29 174.42 3fpk s ASN 14 N 1.35 6.21 -0.01 6.67 0.01 -1.26 -0.91 114.94 127.00 3fpk s ASN 14 Ca 0.01 -0.98 -0.23 0.00 -0.71 0.00 0.00 52.86 50.95 3fpk s ASN 14 Cb -0.16 -2.36 -0.19 0.00 0.41 0.00 0.00 41.25 38.94 3fpk s ASN 14 CO -0.05 -1.20 1.19 -0.50 -1.51 0.00 0.00 177.10 175.04 3fpk h TRP 15 N 9.29 0.27 -3.88 2.20 4.06 -1.42 -3.48 115.95 122.99 3fpk h TRP 15 Ca -0.28 -0.11 -0.30 0.00 2.06 0.00 0.00 58.89 60.26 3fpk h TRP 15 Cb 1.08 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 29.12 3fpk h TRP 15 CO 0.87 0.78 -0.26 0.25 -3.56 0.00 0.00 178.44 176.52 3fpk n THR 16 N -4.59 0.00 0.27 1.49 -2.24 -0.97 -4.95 114.28 103.29 3fpk n THR 16 Ca -0.08 -1.62 0.17 0.00 -2.27 0.00 0.00 64.05 60.25 3fpk n THR 16 Cb 0.40 0.86 0.93 0.00 -2.10 0.00 0.00 70.33 70.43 3fpk n THR 16 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fpk h ASP 17 N 1.48 0.00 0.00 3.42 3.32 -1.99 -2.97 116.42 119.68 3fpk h ASP 17 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3fpk h ASP 17 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3fpk h ASP 17 CO 0.26 0.00 -0.40 0.00 -1.72 0.00 0.00 179.24 177.38 3fpk n ALA 18 N -2.26 1.96 -2.67 3.45 0.00 -1.26 -4.94 120.51 114.79 3fpk n ALA 18 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 3fpk n ALA 18 Cb 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 3fpk n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fpk s LEU 19 N -2.36 3.04 0.05 0.00 1.43 -1.12 0.07 118.68 119.79 3fpk s LEU 19 Ca 0.00 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 3fpk s LEU 19 Cb 0.00 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3fpk s LEU 19 CO 0.00 0.31 0.36 0.72 0.23 0.00 0.00 176.35 177.97 3fpk s PHE 20 N -0.51 -0.18 -0.11 0.29 -0.12 -0.34 -0.96 117.98 116.06 3fpk s PHE 20 Ca 0.07 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.05 3fpk s PHE 20 Cb -0.12 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.44 3fpk s PHE 20 CO 0.02 -0.56 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.29 3fpk s SER 21 N -2.13 2.94 0.06 1.98 0.01 -0.09 0.14 113.70 116.60 3fpk s SER 21 Ca -0.04 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 3fpk s SER 21 Cb -0.00 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 64.82 3fpk s SER 21 CO -0.04 0.12 0.50 -0.76 0.41 0.00 0.00 173.24 173.47 3fpk s LEU 22 N 0.53 4.48 -0.08 2.44 1.43 -0.26 -1.22 118.68 126.00 3fpk s LEU 22 Ca -0.15 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3fpk s LEU 22 Cb -0.17 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 3fpk s LEU 22 CO 0.05 0.27 -0.17 -0.89 0.23 0.00 0.00 176.35 175.83 3fpk s THR 23 N -1.16 2.75 -0.01 5.49 2.01 -0.15 -1.07 115.64 123.50 3fpk s THR 23 Ca 0.28 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3fpk s THR 23 Cb -0.18 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3fpk s THR 23 CO 0.17 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.93 3fpk s VAL 24 N -0.21 0.42 -0.22 3.82 1.01 0.87 -0.76 120.40 125.32 3fpk s VAL 24 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3fpk s VAL 24 Cb -0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 3fpk s VAL 24 CO 0.03 0.14 0.13 -1.00 0.00 0.00 0.00 175.10 174.40 3fpk s HIS 25 N 0.11 3.31 -0.15 5.22 3.76 -0.50 -1.28 115.29 125.76 3fpk s HIS 25 Ca -0.01 0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.85 3fpk s HIS 25 Cb -0.05 -2.21 0.06 0.00 1.11 0.00 0.00 32.58 31.49 3fpk s HIS 25 CO -0.00 0.11 0.61 0.00 -0.85 0.00 0.00 174.74 174.61 3fpk s ALA 26 N 0.82 -1.55 -1.36 -1.40 0.00 -1.26 -1.15 121.76 115.86 3fpk s ALA 26 Ca 0.07 1.47 -0.07 0.00 0.00 0.00 0.00 51.96 53.43 3fpk s ALA 26 Cb -0.13 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.47 3fpk s ALA 26 CO 0.02 -0.32 2.60 -0.35 0.00 0.00 0.00 175.76 177.71 3fpk n PRO 27 N 1.96 4.21 -1.11 0.00 -0.04 -1.26 -4.94 135.00 133.82 3fpk n PRO 27 Ca -0.16 -3.00 -0.30 0.00 -0.04 0.00 0.00 63.50 60.00 3fpk n PRO 27 Cb 0.56 -2.65 0.15 0.00 -0.04 0.00 0.00 33.50 31.52 3fpk n PRO 27 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fpk s ILE 28 N -0.16 2.52 0.75 0.52 -4.36 -1.26 -4.96 121.20 114.25 3fpk s ILE 28 Ca 0.59 0.17 -0.09 0.00 -0.26 0.00 0.00 60.65 61.06 3fpk s ILE 28 Cb 0.19 -2.59 0.07 0.00 1.25 0.00 0.00 42.46 41.39 3fpk s ILE 28 CO -0.09 -0.22 1.09 0.20 0.24 0.00 0.00 174.94 176.16 3fpk s ASN 29 N -3.30 4.66 0.56 4.36 0.01 -0.19 -5.02 114.94 116.03 3fpk s ASN 29 Ca 0.64 0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 53.20 3fpk s ASN 29 Cb -0.19 -1.17 -0.05 0.00 0.41 0.00 0.00 41.25 40.25 3fpk s ASN 29 CO 0.58 -1.75 1.18 -2.84 -1.51 0.00 0.00 177.10 172.76 3fpk s PRO 30 N -5.40 3.17 0.28 -0.60 0.02 -1.26 -4.85 135.00 126.36 3fpk s PRO 30 Ca 0.61 1.75 0.05 0.00 0.02 0.00 0.00 61.00 63.44 3fpk s PRO 30 Cb -0.11 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3fpk s PRO 30 CO 0.47 -1.03 -0.02 -0.59 -0.33 0.00 0.00 177.00 175.50 3fpk s PHE 31 N -1.65 1.88 -0.13 6.54 -0.12 -1.26 -4.71 117.98 118.53 3fpk s PHE 31 Ca 0.75 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 56.76 3fpk s PHE 31 Cb -0.28 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 40.95 3fpk s PHE 31 CO 0.31 0.14 0.06 0.99 -0.05 0.00 0.00 175.22 176.67 3fpk s THR 32 N -3.17 4.76 0.16 -4.49 2.01 -1.26 -4.73 115.64 108.92 3fpk s THR 32 Ca 0.31 -0.06 -0.33 0.00 0.31 0.00 0.00 61.69 61.92 3fpk s THR 32 Cb 0.06 -3.08 -0.13 0.00 0.01 0.00 0.00 72.50 69.36 3fpk s THR 32 CO 0.12 0.55 1.69 0.00 -0.69 0.00 0.00 174.62 176.30 3fpk n ALA 33 N 2.65 2.05 0.00 7.40 0.00 -1.26 -1.42 120.51 129.93 3fpk n ALA 33 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3fpk n ALA 33 Cb 0.53 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3fpk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fpk n GLY 34 N 3.82 2.44 3.91 0.00 0.00 -1.25 -4.43 105.19 109.68 3fpk n GLY 34 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3fpk n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fpk s GLN 35 N -0.29 2.11 0.29 1.61 -0.21 -0.51 -4.55 119.66 118.11 3fpk s GLN 35 Ca 0.00 0.04 0.10 0.00 0.02 0.00 0.00 55.36 55.51 3fpk s GLN 35 Cb 0.00 -2.02 -0.06 0.00 1.00 0.00 0.00 33.01 31.93 3fpk s GLN 35 CO 0.00 -1.44 -0.13 -0.59 -2.12 0.00 0.00 175.29 171.01 3fpk s PHE 36 N -3.46 2.18 0.02 0.91 -0.12 -0.31 -2.46 117.98 114.74 3fpk s PHE 36 Ca 0.61 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 3fpk s PHE 36 Cb -0.11 -1.12 -0.00 0.00 -0.63 0.00 0.00 43.02 41.16 3fpk s PHE 36 CO 0.48 0.54 0.00 -2.37 -0.05 0.00 0.00 175.22 173.82 3fpk n THR 37 N -0.64 0.00 -4.94 -4.49 5.66 -0.36 -0.63 114.28 108.88 3fpk n THR 37 Ca -0.05 -0.11 -0.31 0.00 -3.05 0.00 0.00 64.05 60.53 3fpk n THR 37 Cb 0.62 0.02 -0.14 0.00 -1.55 0.00 0.00 70.33 69.28 3fpk n THR 37 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3fpk s LYS 38 N -2.08 2.12 0.09 1.09 1.02 -1.26 -0.78 119.74 119.93 3fpk s LYS 38 Ca 0.00 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.12 3fpk s LYS 38 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3fpk s LYS 38 CO 0.00 0.56 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.38 3fpk s LEU 39 N -1.02 3.03 -0.01 3.17 1.43 -0.32 -1.63 118.68 123.32 3fpk s LEU 39 Ca 0.12 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 3fpk s LEU 39 Cb -0.10 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3fpk s LEU 39 CO 0.02 0.20 0.21 -0.83 0.23 0.00 0.00 176.35 176.17 3fpk s GLY 40 N -2.06 -0.04 0.12 -3.19 0.00 0.71 -2.07 107.32 100.77 3fpk s GLY 40 Ca 0.20 0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3fpk s GLY 40 CO 0.12 -0.07 -0.03 1.08 0.00 0.00 0.00 173.10 174.21 3fpk s LEU 41 N -1.25 2.29 -0.18 0.66 1.43 -0.42 -1.28 118.68 119.93 3fpk s LEU 41 Ca -0.13 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 51.67 3fpk s LEU 41 Cb -0.06 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 3fpk s LEU 41 CO 0.02 -0.55 0.68 -0.70 0.23 0.00 0.00 176.35 176.03 3fpk s GLU 42 N -3.90 4.26 -0.09 1.70 2.12 -1.26 -0.94 118.70 120.59 3fpk s GLU 42 Ca 0.16 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3fpk s GLU 42 Cb 0.06 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3fpk s GLU 42 CO -0.02 -0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 174.82 3fpk s ILE 43 N 1.81 0.99 -1.43 -3.70 1.01 0.15 -4.79 121.20 115.25 3fpk s ILE 43 Ca 0.32 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 3fpk s ILE 43 Cb -0.16 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3fpk s ILE 43 CO 0.12 0.35 0.26 0.47 0.00 0.00 0.00 174.94 176.14 3fpk n ASP 44 N 4.60 -0.84 0.00 3.58 8.00 -1.26 -1.86 116.55 128.78 3fpk n ASP 44 Ca -0.16 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.08 3fpk n ASP 44 Cb 0.50 -1.77 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 3fpk n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fpk n GLY 45 N -2.37 0.73 3.11 0.44 0.00 -1.26 -5.01 105.19 100.83 3fpk n GLY 45 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 3fpk n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fpk s GLU 46 N -0.00 0.65 -0.16 1.61 2.02 -0.78 -5.12 118.70 116.91 3fpk s GLU 46 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 53.89 3fpk s GLU 46 Cb 0.00 -0.52 -0.01 0.00 0.10 0.00 0.00 34.13 33.70 3fpk s GLU 46 CO 0.00 0.11 0.85 1.03 0.02 0.00 0.00 175.26 177.27 3fpk s ARG 47 N -1.64 4.31 -0.06 1.61 1.81 -1.26 0.34 118.95 124.05 3fpk s ARG 47 Ca -0.07 1.05 0.06 0.00 -1.72 0.00 0.00 55.73 55.06 3fpk s ARG 47 Cb -0.10 -3.57 -0.01 0.00 -0.45 0.00 0.00 34.95 30.82 3fpk s ARG 47 CO 0.01 -0.33 -0.25 0.08 -0.68 0.00 0.00 175.30 174.13 3fpk s VAL 48 N 2.15 2.04 0.05 3.52 1.01 -0.11 -4.95 120.40 124.11 3fpk s VAL 48 Ca 0.39 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3fpk s VAL 48 Cb -0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3fpk s VAL 48 CO 0.13 0.57 0.04 0.00 0.00 0.00 0.00 175.10 175.83 3fpk s GLN 49 N -0.17 0.61 0.04 2.72 -2.07 -1.26 -1.30 119.66 118.23 3fpk s GLN 49 Ca -0.03 -1.00 -0.08 0.00 -1.82 0.00 0.00 55.36 52.43 3fpk s GLN 49 Cb -0.14 0.23 -0.00 0.00 -1.09 0.00 0.00 33.01 32.01 3fpk s GLN 49 CO 0.04 -0.14 0.16 1.03 -1.32 0.00 0.00 175.29 175.06 3fpk s ARG 50 N -3.33 0.67 0.20 9.60 1.81 -0.88 -4.97 118.95 122.06 3fpk s ARG 50 Ca 0.01 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.03 3fpk s ARG 50 Cb 0.03 0.27 -0.08 0.00 -0.45 0.00 0.00 34.95 34.73 3fpk s ARG 50 CO -0.08 -0.19 1.06 0.00 -0.68 0.00 0.00 175.30 175.41 3fpk s ALA 51 N -2.68 3.36 -0.01 2.13 0.00 -1.26 -1.18 121.76 122.11 3fpk s ALA 51 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3fpk s ALA 51 Cb -0.01 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3fpk s ALA 51 CO -0.05 -0.11 0.02 0.71 0.00 0.00 0.00 175.76 176.33 3fpk s TYR 52 N -0.55 0.06 0.30 0.00 2.02 0.04 -4.93 117.35 114.28 3fpk s TYR 52 Ca 0.47 0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.96 3fpk s TYR 52 Cb -0.29 -0.19 -0.09 0.00 -0.40 0.00 0.00 41.96 40.99 3fpk s TYR 52 CO 0.35 -0.07 1.09 -1.12 -1.57 0.00 0.00 175.55 174.24 3fpk s SER 53 N 0.74 7.20 0.07 2.29 0.01 -1.26 -1.23 113.70 121.52 3fpk s SER 53 Ca -0.06 2.24 -0.31 0.00 1.31 0.00 0.00 55.95 59.13 3fpk s SER 53 Cb -0.09 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 3fpk s SER 53 CO -0.02 -0.19 1.51 -0.31 0.41 0.00 0.00 173.24 174.64 3fpk s TYR 54 N -1.22 2.80 0.03 2.43 2.02 -1.03 -4.53 117.35 117.85 3fpk s TYR 54 Ca 0.46 0.64 0.03 0.00 -0.37 0.00 0.00 57.07 57.84 3fpk s TYR 54 Cb -0.31 -3.81 -0.25 0.00 -0.40 0.00 0.00 41.96 37.20 3fpk s TYR 54 CO 0.39 -3.06 0.95 0.28 -1.57 0.00 0.00 175.55 172.54 3fpk h VAL 55 N 4.64 1.26 -4.14 0.71 2.07 -1.00 -3.37 116.25 116.43 3fpk h VAL 55 Ca -0.41 -2.97 -0.48 0.00 0.82 0.00 0.00 66.70 63.66 3fpk h VAL 55 Cb 1.20 2.71 0.04 0.00 -1.52 0.00 0.00 31.29 33.72 3fpk h VAL 55 CO 0.91 0.79 0.38 0.54 0.02 0.00 0.00 177.57 180.21 3fpk s ASN 56 N -6.70 6.12 0.61 0.57 4.22 -1.26 -2.24 114.94 116.25 3fpk s ASN 56 Ca -0.05 1.85 -0.19 0.00 -2.14 0.00 0.00 52.86 52.33 3fpk s ASN 56 Cb 0.08 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 40.04 3fpk s ASN 56 CO 0.84 -0.93 1.31 0.00 -2.04 0.00 0.00 177.10 176.27 3fpk s ALA 57 N -2.23 2.54 0.56 3.54 0.00 -1.26 -4.56 121.76 120.34 3fpk s ALA 57 Ca 0.65 1.24 0.27 0.00 0.00 0.00 0.00 51.96 54.13 3fpk s ALA 57 Cb -0.16 -3.55 1.47 0.00 0.00 0.00 0.00 23.12 20.89 3fpk s ALA 57 CO 0.28 -1.49 1.98 -1.35 0.00 0.00 0.00 175.76 175.19 3fpk h PRO 58 N 0.89 0.00 -0.30 0.00 0.11 -1.85 -1.65 132.00 129.20 3fpk h PRO 58 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fpk h PRO 58 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3fpk h PRO 58 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3fpk n ASP 59 N -4.07 2.61 -4.56 -2.05 5.75 -1.26 -4.80 116.55 108.16 3fpk n ASP 59 Ca 0.08 -1.88 -0.40 0.00 -0.01 0.00 0.00 54.79 52.59 3fpk n ASP 59 Cb 0.60 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 3fpk n ASP 59 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3fpk s ASN 60 N -1.48 6.16 0.14 -1.12 3.84 -0.62 -4.97 114.94 116.89 3fpk s ASN 60 Ca 0.35 -0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.55 3fpk s ASN 60 Cb 0.20 -2.18 0.89 0.00 -0.55 0.00 0.00 41.25 39.60 3fpk s ASN 60 CO 0.28 -0.24 1.69 -0.81 -2.79 0.00 0.00 177.10 175.23 3fpk n PRO 61 N 5.29 0.13 -2.30 0.43 -0.04 -1.26 -4.35 135.00 132.90 3fpk n PRO 61 Ca -0.10 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.28 3fpk n PRO 61 Cb 0.50 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 3fpk n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fpk s ASN 62 N -3.78 5.79 -0.00 3.54 0.01 -1.26 -4.57 114.94 114.67 3fpk s ASN 62 Ca 0.08 -0.86 -0.30 0.00 -0.71 0.00 0.00 52.86 51.07 3fpk s ASN 62 Cb 0.11 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 3fpk s ASN 62 CO 0.42 -2.13 1.18 -0.76 -1.51 0.00 0.00 177.10 174.30 3fpk s LEU 63 N 7.53 4.32 -0.03 0.60 1.43 -0.40 -4.68 118.68 127.45 3fpk s LEU 63 Ca 0.57 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 3fpk s LEU 63 Cb -0.05 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3fpk s LEU 63 CO -0.01 -0.51 -0.09 -0.70 0.23 0.00 0.00 176.35 175.28 3fpk s GLU 64 N 1.63 0.97 -0.03 1.70 2.12 -1.26 -0.09 118.70 123.74 3fpk s GLU 64 Ca 0.57 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.62 3fpk s GLU 64 Cb -0.26 -0.90 0.01 0.00 0.26 0.00 0.00 34.13 33.23 3fpk s GLU 64 CO 0.25 0.10 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.93 3fpk s PHE 65 N 0.24 0.91 -0.25 5.30 0.08 -0.23 -0.52 117.98 123.51 3fpk s PHE 65 Ca -0.04 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 3fpk s PHE 65 Cb -0.09 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3fpk s PHE 65 CO 0.01 -0.12 0.01 -0.47 -0.10 0.00 0.00 175.22 174.55 3fpk s TYR 66 N 0.34 3.06 0.11 0.36 5.04 -1.26 -1.10 117.35 123.89 3fpk s TYR 66 Ca -0.05 -0.98 0.08 0.00 -2.44 0.00 0.00 57.07 53.68 3fpk s TYR 66 Cb -0.10 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 3fpk s TYR 66 CO 0.01 -0.56 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.94 3fpk s LEU 67 N 1.48 2.31 -0.12 6.97 1.02 0.12 -4.87 118.68 125.59 3fpk s LEU 67 Ca 0.04 -0.70 -0.04 0.00 0.02 0.00 0.00 54.13 53.45 3fpk s LEU 67 Cb -0.16 -0.88 -0.03 0.00 0.02 0.00 0.00 46.19 45.14 3fpk s LEU 67 CO -0.01 0.05 0.03 0.54 0.02 0.00 0.00 176.35 176.98 3fpk s VAL 68 N -1.22 4.52 -0.55 -1.59 0.11 -1.26 -1.19 120.40 119.22 3fpk s VAL 68 Ca 0.07 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 3fpk s VAL 68 Cb -0.10 -2.95 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 3fpk s VAL 68 CO 0.04 0.56 1.37 -0.89 -3.33 0.00 0.00 175.10 172.85 3fpk s THR 69 N -0.48 3.85 -0.19 5.04 2.01 0.11 -4.91 115.64 121.07 3fpk s THR 69 Ca 0.09 0.75 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 3fpk s THR 69 Cb -0.12 -4.47 -0.01 0.00 0.01 0.00 0.00 72.50 67.91 3fpk s THR 69 CO 0.02 -1.16 1.27 -0.69 -0.69 0.00 0.00 174.62 173.38 3fpk s VAL 70 N 5.75 4.26 0.12 3.82 1.01 -1.26 -4.93 120.40 129.16 3fpk s VAL 70 Ca 0.51 1.50 -0.32 0.00 0.00 0.00 0.00 61.98 63.68 3fpk s VAL 70 Cb -0.10 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 3fpk s VAL 70 CO 0.26 -0.19 1.81 -0.81 0.00 0.00 0.00 175.10 176.16 3fpk n PRO 71 N 6.73 2.67 -1.61 2.72 -0.04 -1.26 -0.63 135.00 143.58 3fpk n PRO 71 Ca 0.14 0.97 -0.18 0.00 -0.04 0.00 0.00 63.50 64.39 3fpk n PRO 71 Cb 0.45 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 3fpk n PRO 71 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3fpk n GLN 72 N 5.36 -1.27 -1.02 0.54 3.00 -1.26 -4.99 117.38 117.74 3fpk n GLN 72 Ca 0.18 1.10 -0.31 0.00 -0.01 0.00 0.00 57.00 57.96 3fpk n GLN 72 Cb 0.36 -5.39 0.13 0.00 0.00 0.00 0.00 30.24 25.33 3fpk n GLN 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3fpk s GLY 73 N -2.74 1.74 0.01 1.08 0.00 0.19 -4.96 107.32 102.64 3fpk s GLY 73 Ca 0.00 0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.97 3fpk s GLY 73 CO 0.00 0.85 1.26 1.70 0.00 0.00 0.00 173.10 176.92 3fpk h LYS 74 N -1.40 0.24 0.00 2.90 1.63 -1.94 -3.40 116.57 114.60 3fpk h LYS 74 Ca -0.44 -0.15 -0.24 0.00 -0.85 0.00 0.00 60.65 58.98 3fpk h LYS 74 Cb 1.25 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.86 3fpk h LYS 74 CO 0.47 0.72 -1.89 -0.11 -3.45 0.00 0.00 179.45 175.18 3fpk n LEU 75 N -4.61 2.77 -0.32 5.20 7.94 -1.26 -4.57 117.00 122.14 3fpk n LEU 75 Ca -0.07 -0.08 0.01 0.00 -1.11 0.00 0.00 56.01 54.76 3fpk n LEU 75 Cb 0.37 -0.49 0.15 0.00 0.53 0.00 0.00 43.42 43.97 3fpk n LEU 75 CO 0.38 0.73 1.20 0.77 -1.11 0.00 0.00 177.39 179.37 3fpk h SER 76 N 0.00 0.87 -0.15 1.96 4.64 -1.89 -0.61 113.55 118.36 3fpk h SER 76 Ca -0.35 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3fpk h SER 76 Cb 1.56 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3fpk h SER 76 CO -0.05 0.55 0.04 -0.65 -0.87 0.00 0.00 176.83 175.86 3fpk h PRO 77 N 1.00 0.33 -0.07 4.77 0.11 -1.78 0.31 132.00 136.66 3fpk h PRO 77 Ca 0.38 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.26 3fpk h PRO 77 Cb 0.17 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3fpk h PRO 77 CO -0.17 0.32 -0.74 0.00 -0.21 0.00 0.00 178.00 177.19 3fpk h ARG 78 N 0.33 0.40 -0.09 1.05 -0.00 -1.48 -2.77 114.38 111.82 3fpk h ARG 78 Ca 0.08 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.98 59.14 3fpk h ARG 78 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.18 3fpk h ARG 78 CO -0.00 0.98 -0.34 -0.07 0.00 0.00 0.00 179.97 180.53 3fpk h LEU 79 N 0.27 0.18 -1.73 3.04 3.38 -0.69 -2.60 115.31 117.16 3fpk h LEU 79 Ca -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3fpk h LEU 79 Cb 1.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3fpk h LEU 79 CO 0.13 0.52 -0.05 0.00 0.09 0.00 0.00 178.44 179.12 3fpk h ALA 80 N 1.50 1.04 -0.00 1.53 0.00 -0.71 -2.46 119.26 120.16 3fpk h ALA 80 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fpk h ALA 80 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fpk h ALA 80 CO 0.05 0.06 -0.28 0.00 0.00 0.00 0.00 179.25 179.09 3fpk n ALA 81 N -2.14 3.03 -1.75 0.00 0.00 -0.98 -4.92 120.51 113.75 3fpk n ALA 81 Ca -0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 3fpk n ALA 81 Cb 0.28 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.50 3fpk n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fpk s LEU 82 N -2.92 3.67 0.15 0.00 1.43 -0.93 -5.04 118.68 115.04 3fpk s LEU 82 Ca 0.15 2.40 0.06 0.00 -1.03 0.00 0.00 54.13 55.71 3fpk s LEU 82 Cb 0.18 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 3fpk s LEU 82 CO 0.61 -1.60 -0.13 -0.54 0.23 0.00 0.00 176.35 174.92 3fpk s LYS 83 N -3.32 1.13 0.23 1.70 -0.14 -1.26 -4.95 119.74 113.13 3fpk s LYS 83 Ca 0.77 -1.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.68 3fpk s LYS 83 Cb -0.31 -0.91 -0.14 0.00 -1.68 0.00 0.00 37.83 34.78 3fpk s LYS 83 CO 0.33 0.16 1.19 -2.30 -0.76 0.00 0.00 175.35 173.97 3fpk n PRO 84 N 0.09 1.49 0.00 -1.68 -0.02 -1.26 -1.27 135.00 132.36 3fpk n PRO 84 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3fpk n PRO 84 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3fpk n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpk n GLY 85 N 1.78 3.02 3.74 -1.23 0.00 0.18 -4.98 105.19 107.70 3fpk n GLY 85 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3fpk n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpk s ASP 86 N 0.83 4.72 0.22 1.61 1.01 -0.39 -4.67 116.67 119.99 3fpk s ASP 86 Ca 0.00 2.47 -0.07 0.00 0.71 0.00 0.00 52.55 55.66 3fpk s ASP 86 Cb 0.00 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3fpk s ASP 86 CO 0.00 -1.92 0.50 -1.61 0.21 0.00 0.00 175.17 172.35 3fpk s GLU 87 N -3.49 3.70 -0.03 8.23 2.02 -1.26 -0.99 118.70 126.88 3fpk s GLU 87 Ca 0.79 0.09 -0.04 0.00 0.02 0.00 0.00 54.97 55.84 3fpk s GLU 87 Cb -0.33 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.20 3fpk s GLU 87 CO 0.39 0.34 0.09 0.54 0.02 0.00 0.00 175.26 176.64 3fpk s VAL 88 N -1.83 0.03 0.08 2.63 0.11 0.06 -4.92 120.40 116.55 3fpk s VAL 88 Ca 0.45 -0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.00 3fpk s VAL 88 Cb -0.11 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3fpk s VAL 88 CO 0.24 -0.11 0.90 -1.58 -3.33 0.00 0.00 175.10 171.22 3fpk s GLN 89 N -0.34 4.62 -0.07 1.54 0.74 -0.41 0.45 119.66 126.19 3fpk s GLN 89 Ca -0.04 1.33 0.02 0.00 0.05 0.00 0.00 55.36 56.71 3fpk s GLN 89 Cb -0.03 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.72 3fpk s GLN 89 CO 0.00 0.21 -0.11 0.08 -0.55 0.00 0.00 175.29 174.92 3fpk s VAL 90 N 0.09 1.10 0.09 1.34 1.01 -0.39 -0.21 120.40 123.44 3fpk s VAL 90 Ca 0.45 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3fpk s VAL 90 Cb -0.22 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 3fpk s VAL 90 CO 0.27 0.35 1.28 -0.69 0.00 0.00 0.00 175.10 176.32 3fpk s VAL 91 N 0.86 3.68 -0.11 2.92 1.01 -0.65 -0.06 120.40 128.05 3fpk s VAL 91 Ca -0.11 1.22 0.15 0.00 0.00 0.00 0.00 61.98 63.24 3fpk s VAL 91 Cb -0.15 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3fpk s VAL 91 CO 0.01 0.10 1.46 0.77 0.00 0.00 0.00 175.10 177.44 3fpk h SER 92 N 6.70 0.00 -3.71 3.32 4.64 -1.52 -3.42 113.55 119.54 3fpk h SER 92 Ca -0.42 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.26 3fpk h SER 92 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 3fpk h SER 92 CO 0.83 0.52 -0.28 -1.81 -0.87 0.00 0.00 176.83 175.22 3fpk s ASP 93 N -6.47 6.20 0.74 4.97 1.01 -1.26 -1.02 116.67 120.83 3fpk s ASP 93 Ca 0.03 0.02 -0.11 0.00 0.71 0.00 0.00 52.55 53.21 3fpk s ASP 93 Cb 0.08 -2.20 0.03 0.00 1.01 0.00 0.00 42.92 41.85 3fpk s ASP 93 CO 0.74 -0.25 1.08 0.00 0.21 0.00 0.00 175.17 176.95 3fpk s ALA 94 N 2.03 2.45 0.18 5.23 0.00 -1.26 -4.89 121.76 125.50 3fpk s ALA 94 Ca 0.13 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.33 3fpk s ALA 94 Cb -0.16 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3fpk s ALA 94 CO 0.11 -1.52 -0.13 -1.12 0.00 0.00 0.00 175.76 173.10 3fpk s SER 95 N -3.58 2.26 0.00 0.00 0.01 0.19 -4.97 113.70 107.61 3fpk s SER 95 Ca 0.60 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3fpk s SER 95 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 3fpk s SER 95 CO 0.56 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.58 3fpk n GLY 96 N -0.31 3.19 0.22 3.44 0.00 -1.26 -1.16 105.19 109.32 3fpk n GLY 96 Ca -0.09 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.20 3fpk n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fpk n PHE 97 N -0.58 0.18 -2.65 1.61 3.72 -1.26 -4.84 117.46 113.64 3fpk n PHE 97 Ca 0.00 -0.79 -0.43 0.00 -0.05 0.00 0.00 57.45 56.18 3fpk n PHE 97 Cb 0.00 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 3fpk n PHE 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fpk n PHE 98 N -0.85 2.97 -4.02 1.38 7.35 -1.26 -4.73 117.46 118.30 3fpk n PHE 98 Ca 0.12 -2.81 -0.08 0.00 -0.76 0.00 0.00 57.45 53.91 3fpk n PHE 98 Cb 0.54 -1.72 -0.10 0.00 0.35 0.00 0.00 39.48 38.55 3fpk n PHE 98 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3fpk s VAL 99 N -0.67 0.18 0.37 -2.13 -7.23 -1.26 -4.32 120.40 105.33 3fpk s VAL 99 Ca 0.37 -1.45 0.13 0.00 -1.81 0.00 0.00 61.98 59.21 3fpk s VAL 99 Cb 0.06 -1.16 0.09 0.00 0.56 0.00 0.00 36.38 35.94 3fpk s VAL 99 CO 0.04 -0.80 1.83 -0.07 -0.31 0.00 0.00 175.10 175.79 3fpk h LEU 100 N 3.47 0.00 -1.95 1.32 3.38 -1.91 -1.66 115.31 117.97 3fpk h LEU 100 Ca -0.33 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.83 3fpk h LEU 100 Cb 1.17 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 3fpk h LEU 100 CO 0.58 0.37 0.57 0.44 0.09 0.00 0.00 178.44 180.48 3fpk h ASP 101 N 0.00 0.00 -0.44 -0.43 3.32 -1.95 -0.96 116.42 115.97 3fpk h ASP 101 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fpk h ASP 101 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3fpk h ASP 101 CO 0.05 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.95 3fpk n GLU 102 N -3.99 2.47 -3.79 3.56 -0.58 -0.63 -4.90 120.64 112.79 3fpk n GLU 102 Ca 0.13 -2.28 -0.36 0.00 -0.42 0.00 0.00 57.16 54.24 3fpk n GLU 102 Cb 0.82 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 30.11 3fpk n GLU 102 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fpk s VAL 103 N -1.29 4.94 0.55 2.62 1.01 -0.37 -5.00 120.40 122.85 3fpk s VAL 103 Ca 0.38 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 3fpk s VAL 103 Cb 0.21 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 3fpk s VAL 103 CO 0.29 0.37 1.03 -2.16 0.00 0.00 0.00 175.10 174.64 3fpk s PRO 104 N 1.03 3.59 0.42 2.72 0.04 -1.26 -4.99 135.00 136.56 3fpk s PRO 104 Ca 0.06 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 3fpk s PRO 104 Cb -0.14 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 3fpk s PRO 104 CO 0.04 -0.58 1.11 -0.25 0.04 0.00 0.00 177.00 177.35 3fpk n ASP 105 N -1.63 1.73 -3.69 6.66 9.92 -1.26 -4.96 116.55 123.32 3fpk n ASP 105 Ca 0.08 1.06 -0.04 0.00 -0.53 0.00 0.00 54.79 55.37 3fpk n ASP 105 Cb 0.53 -1.41 -0.01 0.00 -0.64 0.00 0.00 41.12 39.59 3fpk n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fpk h GLU 107 N 2.00 0.18 -4.59 0.00 4.81 -1.63 -3.38 114.58 111.95 3fpk h GLU 107 Ca -0.24 -0.26 -0.58 0.00 -0.13 0.00 0.00 59.36 58.15 3fpk h GLU 107 Cb 1.23 0.09 -0.35 0.00 0.63 0.00 0.00 28.75 30.34 3fpk h GLU 107 CO 0.27 1.07 -0.83 0.99 -0.73 0.00 0.00 179.01 179.78 3fpk s THR 108 N -2.61 1.41 -0.35 0.32 2.01 -0.32 -1.07 115.64 115.03 3fpk s THR 108 Ca -0.16 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 3fpk s THR 108 Cb -0.00 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 3fpk s THR 108 CO 0.76 0.43 0.29 -0.22 -0.69 0.00 0.00 174.62 175.18 3fpk s LEU 109 N 1.31 4.58 -0.14 4.42 2.96 -0.33 -1.51 118.68 129.97 3fpk s LEU 109 Ca -0.00 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 3fpk s LEU 109 Cb -0.14 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3fpk s LEU 109 CO -0.06 -0.30 0.36 0.26 -1.32 0.00 0.00 176.35 175.29 3fpk s TRP 110 N 1.81 3.50 -0.29 5.38 0.52 -0.22 -1.03 118.94 128.61 3fpk s TRP 110 Ca 0.08 0.72 0.03 0.00 0.02 0.00 0.00 56.10 56.94 3fpk s TRP 110 Cb -0.17 -2.40 0.08 0.00 -1.15 0.00 0.00 33.47 29.83 3fpk s TRP 110 CO 0.11 0.25 -0.02 -1.64 0.02 0.00 0.00 176.95 175.67 3fpk s MET 111 N 0.39 1.72 -0.13 4.98 -1.94 0.75 0.17 119.30 125.24 3fpk s MET 111 Ca 0.20 -1.50 -0.05 0.00 -1.71 0.00 0.00 55.69 52.63 3fpk s MET 111 Cb -0.14 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3fpk s MET 111 CO 0.07 -0.76 0.03 -0.51 -0.01 0.00 0.00 175.02 173.84 3fpk s LEU 112 N 1.10 3.71 -0.07 -0.03 1.43 0.22 -0.81 118.68 124.23 3fpk s LEU 112 Ca 0.01 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3fpk s LEU 112 Cb -0.19 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3fpk s LEU 112 CO -0.08 0.29 0.18 0.00 0.23 0.00 0.00 176.35 176.96 3fpk s ALA 113 N -0.31 -0.43 -0.04 4.21 0.00 -0.66 -1.55 121.76 122.97 3fpk s ALA 113 Ca 0.08 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 3fpk s ALA 113 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3fpk s ALA 113 CO 0.02 -0.09 0.16 0.95 0.00 0.00 0.00 175.76 176.80 3fpk s THR 114 N 0.17 5.40 0.00 0.00 -4.23 -1.04 -0.99 115.64 114.95 3fpk s THR 114 Ca -0.01 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 3fpk s THR 114 Cb -0.02 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.35 3fpk s THR 114 CO -0.00 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 3fpk n GLY 115 N 1.25 3.48 0.00 3.99 0.00 -0.43 -0.72 105.19 112.76 3fpk n GLY 115 Ca -0.13 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.11 3fpk n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fpk n THR 116 N 0.00 0.02 1.72 2.61 -2.24 -1.26 -3.81 114.28 111.32 3fpk n THR 116 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3fpk n THR 116 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3fpk n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fpk n ALA 117 N -1.10 2.44 0.26 6.98 0.00 0.10 -3.15 120.51 126.04 3fpk n ALA 117 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.79 3fpk n ALA 117 Cb 0.15 -1.00 0.56 0.00 0.00 0.00 0.00 19.45 19.16 3fpk n ALA 117 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3fpk h ILE 118 N 0.00 0.08 -0.66 0.00 6.09 -1.76 -3.38 117.51 117.88 3fpk h ILE 118 Ca 0.00 -0.70 0.09 0.00 -1.37 0.00 0.00 64.86 62.89 3fpk h ILE 118 Cb 0.09 1.64 -0.11 0.00 0.47 0.00 0.00 36.82 38.91 3fpk h ILE 118 CO 0.00 0.03 -0.46 1.23 -3.07 0.00 0.00 178.15 175.89 3fpk h GLY 119 N 2.41 -0.49 1.48 8.18 0.00 -1.88 -1.64 103.07 111.13 3fpk h GLY 119 Ca -0.00 0.60 0.02 0.00 0.00 0.00 0.00 47.33 47.95 3fpk h GLY 119 CO 0.00 -0.14 0.30 -2.55 0.00 0.00 0.00 176.54 174.16 3fpk h PRO 120 N -0.19 0.52 -0.39 4.80 0.11 -1.74 -0.98 132.00 134.13 3fpk h PRO 120 Ca 0.19 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.12 3fpk h PRO 120 Cb 0.55 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3fpk h PRO 120 CO -0.74 0.34 -0.33 1.88 -0.21 0.00 0.00 178.00 178.94 3fpk h TYR 121 N 0.53 1.05 -0.57 0.65 0.05 -1.61 -1.10 116.97 115.98 3fpk h TYR 121 Ca 0.18 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 3fpk h TYR 121 Cb 0.06 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3fpk h TYR 121 CO -0.00 1.09 0.24 -0.07 -1.05 0.00 0.00 178.16 178.37 3fpk h LEU 122 N 0.74 0.75 -0.22 3.88 3.38 -0.54 0.14 115.31 123.44 3fpk h LEU 122 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3fpk h LEU 122 Cb 0.90 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3fpk h LEU 122 CO 0.08 0.66 0.02 -1.28 0.09 0.00 0.00 178.44 178.02 3fpk h SER 123 N 0.81 0.36 -0.10 -0.43 0.87 -0.76 -0.04 113.55 114.27 3fpk h SER 123 Ca 0.20 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3fpk h SER 123 Cb 0.14 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3fpk h SER 123 CO -0.02 0.55 0.03 0.40 -0.53 0.00 0.00 176.83 177.26 3fpk h ILE 124 N 0.16 1.17 -0.12 2.23 2.04 -1.02 -2.11 117.51 119.86 3fpk h ILE 124 Ca 0.07 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 3fpk h ILE 124 Cb 0.35 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3fpk h ILE 124 CO 0.01 0.15 -0.46 -0.07 0.00 0.00 0.00 178.15 177.78 3fpk h LEU 125 N -0.02 0.32 -0.55 1.44 3.38 -0.67 -1.20 115.31 118.00 3fpk h LEU 125 Ca 0.03 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3fpk h LEU 125 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3fpk h LEU 125 CO -0.00 0.74 -0.38 1.56 0.09 0.00 0.00 178.44 180.44 3fpk h GLN 126 N 0.24 0.75 -0.47 1.13 4.20 -0.95 -3.04 115.11 116.97 3fpk h GLN 126 Ca 0.02 -0.38 -0.13 0.00 0.06 0.00 0.00 58.65 58.21 3fpk h GLN 126 Cb 0.91 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3fpk h GLN 126 CO 0.07 1.00 -0.22 -0.92 -0.67 0.00 0.00 178.83 178.09 3fpk h TYR 127 N 0.61 1.13 -1.16 2.96 3.20 -1.27 -3.47 116.97 118.98 3fpk h TYR 127 Ca 0.05 -0.28 -0.26 0.00 3.14 0.00 0.00 58.73 61.39 3fpk h TYR 127 Cb 0.93 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 3fpk h TYR 127 CO 0.05 1.11 -0.28 0.41 -1.64 0.00 0.00 178.16 177.81 3fpk n GLY 128 N -0.09 0.67 3.82 1.82 0.00 -0.46 -5.00 105.19 105.95 3fpk n GLY 128 Ca -0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3fpk n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fpk s GLN 129 N -3.79 2.95 -1.47 1.61 -0.21 -1.26 -4.51 119.66 112.99 3fpk s GLN 129 Ca 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.41 3fpk s GLN 129 Cb 0.00 -2.63 0.02 0.00 1.00 0.00 0.00 33.01 31.40 3fpk s GLN 129 CO 0.00 0.45 0.34 -3.47 -2.12 0.00 0.00 175.29 170.48 3fpk n ASP 130 N -0.77 -5.21 -0.13 5.90 2.03 -1.26 -4.86 116.55 112.25 3fpk n ASP 130 Ca -0.08 -0.16 0.03 0.00 0.52 0.00 0.00 54.79 55.10 3fpk n ASP 130 Cb 0.56 -4.29 -0.00 0.00 -0.72 0.00 0.00 41.12 36.67 3fpk n ASP 130 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3fpk n VAL 131 N -4.08 0.00 -0.32 5.18 0.24 -1.26 -4.58 118.33 113.50 3fpk n VAL 131 Ca -0.13 -0.43 0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3fpk n VAL 131 Cb 0.62 1.07 0.31 0.00 -1.47 0.00 0.00 33.84 34.37 3fpk n VAL 131 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpk h ALA 132 N 1.04 1.68 0.00 2.33 0.00 -1.89 -2.34 119.26 120.08 3fpk h ALA 132 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fpk h ALA 132 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fpk h ALA 132 CO 0.00 0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.21 3fpk n ARG 133 N -4.60 0.12 -3.74 0.00 1.85 -1.26 -4.63 116.66 104.40 3fpk n ARG 133 Ca 0.18 0.43 -0.36 0.00 -1.00 0.00 0.00 57.85 57.10 3fpk n ARG 133 Cb 0.42 -1.76 -0.10 0.00 -1.05 0.00 0.00 32.46 29.97 3fpk n ARG 133 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3fpk s PHE 134 N -3.25 3.27 0.14 2.89 0.08 -0.88 -4.66 117.98 115.57 3fpk s PHE 134 Ca 0.03 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.07 3fpk s PHE 134 Cb 0.08 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3fpk s PHE 134 CO 0.29 0.02 1.57 -0.22 -0.10 0.00 0.00 175.22 176.78 3fpk h LYS 135 N 7.49 0.85 -6.01 0.44 3.64 -1.31 -3.44 116.57 118.23 3fpk h LYS 135 Ca -0.38 -0.30 -0.57 0.00 -1.27 0.00 0.00 60.65 58.13 3fpk h LYS 135 Cb 1.17 -0.06 -0.27 0.00 -0.41 0.00 0.00 32.23 32.66 3fpk h LYS 135 CO 0.65 0.93 -0.84 -0.80 -2.27 0.00 0.00 179.45 177.12 3fpk s ASN 136 N -6.40 2.39 -0.07 4.20 0.02 -0.23 -4.82 114.94 110.02 3fpk s ASN 136 Ca -0.12 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 51.27 3fpk s ASN 136 Cb 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 41.25 41.17 3fpk s ASN 136 CO 0.82 0.17 -0.19 -0.76 0.02 0.00 0.00 177.10 177.16 3fpk s LEU 137 N -1.02 1.93 -0.13 0.60 1.43 -0.43 -1.19 118.68 119.87 3fpk s LEU 137 Ca 0.07 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3fpk s LEU 137 Cb -0.08 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 45.01 3fpk s LEU 137 CO 0.01 0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 175.93 3fpk s VAL 138 N 0.31 1.26 -0.28 -1.59 1.01 -0.19 -0.40 120.40 120.52 3fpk s VAL 138 Ca -0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3fpk s VAL 138 Cb -0.16 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3fpk s VAL 138 CO 0.05 0.38 0.07 -0.22 0.00 0.00 0.00 175.10 175.38 3fpk s LEU 139 N 1.61 3.68 -0.23 3.92 2.96 0.18 -0.17 118.68 130.62 3fpk s LEU 139 Ca 0.05 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3fpk s LEU 139 Cb -0.13 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 3fpk s LEU 139 CO -0.09 -0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.06 3fpk s VAL 140 N 1.52 3.29 -0.33 1.68 1.01 0.01 -0.25 120.40 127.32 3fpk s VAL 140 Ca 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3fpk s VAL 140 Cb -0.16 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.73 3fpk s VAL 140 CO 0.02 0.37 0.08 -2.28 0.00 0.00 0.00 175.10 173.29 3fpk s HIS 141 N 1.45 3.27 -0.20 5.22 2.46 -0.41 -1.65 115.29 125.43 3fpk s HIS 141 Ca 0.05 -1.61 -0.08 0.00 0.47 0.00 0.00 55.06 53.88 3fpk s HIS 141 Cb -0.15 -2.29 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 3fpk s HIS 141 CO -0.03 -0.77 0.09 0.00 -2.47 0.00 0.00 174.74 171.56 3fpk s ALA 142 N 1.34 3.44 0.27 1.58 0.00 -0.16 -1.37 121.76 126.87 3fpk s ALA 142 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3fpk s ALA 142 Cb -0.20 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3fpk s ALA 142 CO 0.01 0.02 0.25 0.00 0.00 0.00 0.00 175.76 176.04 3fpk s ALA 143 N 0.67 1.34 0.01 0.00 0.00 -0.33 -1.31 121.76 122.14 3fpk s ALA 143 Ca 0.05 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 3fpk s ALA 143 Cb -0.13 1.38 -0.35 0.00 0.00 0.00 0.00 23.12 24.03 3fpk s ALA 143 CO 0.01 -0.66 0.97 0.00 0.00 0.00 0.00 175.76 176.08 3fpk h ARG 144 N 2.33 0.48 -5.25 0.00 3.08 -1.95 -2.02 114.38 111.06 3fpk h ARG 144 Ca -0.30 -0.82 -0.39 0.00 0.07 0.00 0.00 59.98 58.55 3fpk h ARG 144 Cb 1.24 0.30 -0.20 0.00 0.08 0.00 0.00 29.97 31.40 3fpk h ARG 144 CO 0.43 1.39 -0.76 -0.06 -1.07 0.00 0.00 179.97 179.90 3fpk s PHE 145 N -2.55 1.20 0.43 3.04 0.08 -1.26 -1.93 117.98 116.99 3fpk s PHE 145 Ca -0.10 -0.52 0.14 0.00 0.12 0.00 0.00 56.93 56.57 3fpk s PHE 145 Cb 0.03 -0.66 1.03 0.00 -0.57 0.00 0.00 43.02 42.85 3fpk s PHE 145 CO 0.92 0.06 1.95 0.00 -0.10 0.00 0.00 175.22 178.05 3fpk h ALA 146 N 3.97 2.05 0.00 5.36 0.00 -1.95 -0.01 119.26 128.69 3fpk h ALA 146 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fpk h ALA 146 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fpk h ALA 146 CO 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3fpk h ALA 147 N 1.67 1.00 -0.00 0.00 0.00 -2.01 -2.02 119.26 117.90 3fpk h ALA 147 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fpk h ALA 147 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fpk h ALA 147 CO -0.09 0.00 -0.18 -0.25 0.00 0.00 0.00 179.25 178.72 3fpk n ASP 148 N -2.65 0.68 -4.11 0.00 8.00 -0.02 -4.68 116.55 113.77 3fpk n ASP 148 Ca -0.01 -0.65 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 3fpk n ASP 148 Cb 0.10 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3fpk n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fpk n LEU 149 N -0.88 6.04 0.24 0.64 4.77 -0.76 -4.82 117.00 122.22 3fpk n LEU 149 Ca 0.13 -4.34 0.12 0.00 -0.03 0.00 0.00 56.01 51.88 3fpk n LEU 149 Cb 0.31 -1.61 0.51 0.00 -2.33 0.00 0.00 43.42 40.31 3fpk n LEU 149 CO 0.25 0.93 0.86 0.28 -1.33 0.00 0.00 177.39 178.38 3fpk h SER 150 N 6.48 0.00 -0.32 -1.43 0.02 -1.88 -3.03 113.55 113.39 3fpk h SER 150 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3fpk h SER 150 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3fpk h SER 150 CO 1.57 0.15 0.00 -1.22 -1.14 0.00 0.00 176.83 176.19 3fpk n TYR 151 N -3.29 1.13 -0.26 3.45 4.01 -1.26 -4.61 117.16 116.32 3fpk n TYR 151 Ca 0.00 -0.83 0.01 0.00 -0.16 0.00 0.00 57.90 56.92 3fpk n TYR 151 Cb 0.40 -0.34 0.13 0.00 -0.31 0.00 0.00 39.34 39.22 3fpk n TYR 151 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3fpk h LEU 152 N 2.22 0.61 -0.78 7.72 3.38 -1.95 0.11 115.31 126.61 3fpk h LEU 152 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3fpk h LEU 152 Cb 1.51 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 3fpk h LEU 152 CO 0.26 0.37 0.50 -0.65 0.09 0.00 0.00 178.44 179.01 3fpk h PRO 153 N 0.74 0.97 -0.72 1.13 0.11 -1.88 0.14 132.00 132.49 3fpk h PRO 153 Ca 0.35 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 3fpk h PRO 153 Cb 0.27 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 3fpk h PRO 153 CO -0.22 0.64 0.22 1.25 -0.21 0.00 0.00 178.00 179.68 3fpk h LEU 154 N 1.00 1.03 -0.99 2.35 5.85 -1.75 -1.81 115.31 120.99 3fpk h LEU 154 Ca 0.30 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3fpk h LEU 154 Cb -0.03 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3fpk h LEU 154 CO -0.10 0.96 0.13 0.24 -0.34 0.00 0.00 178.44 179.33 3fpk h MET 155 N 1.06 0.86 -0.58 1.25 2.86 -0.22 0.13 114.93 120.29 3fpk h MET 155 Ca 0.23 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3fpk h MET 155 Cb 0.30 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3fpk h MET 155 CO -0.01 0.77 0.08 1.25 1.06 0.00 0.00 176.91 180.07 3fpk h LEU 156 N 0.82 0.93 -0.64 1.22 5.85 -0.85 0.26 115.31 122.90 3fpk h LEU 156 Ca 0.18 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3fpk h LEU 156 Cb 0.31 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3fpk h LEU 156 CO 0.00 0.96 0.05 -0.33 -0.34 0.00 0.00 178.44 178.77 3fpk h GLU 157 N 0.86 1.09 -0.39 1.25 4.39 -0.43 -1.34 114.58 120.01 3fpk h GLU 157 Ca 0.17 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 3fpk h GLU 157 Cb 0.43 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3fpk h GLU 157 CO 0.01 1.04 0.10 -0.07 -1.16 0.00 0.00 179.01 178.93 3fpk h LEU 158 N 1.00 0.59 -0.94 1.33 3.38 -0.56 -1.16 115.31 118.96 3fpk h LEU 158 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fpk h LEU 158 Cb 0.51 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3fpk h LEU 158 CO 0.02 0.66 0.55 -0.61 0.09 0.00 0.00 178.44 179.16 3fpk h GLN 159 N 0.48 1.29 -0.09 1.13 4.15 -0.17 -1.49 115.11 120.41 3fpk h GLN 159 Ca 0.12 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3fpk h GLN 159 Cb 0.30 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 3fpk h GLN 159 CO 0.00 0.91 0.04 1.96 -1.93 0.00 0.00 178.83 179.81 3fpk h GLN 160 N 1.30 0.13 0.00 1.69 4.20 -0.94 -3.17 115.11 118.32 3fpk h GLN 160 Ca 0.34 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.98 3fpk h GLN 160 Cb -0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3fpk h GLN 160 CO -0.06 0.22 -0.23 0.07 -0.67 0.00 0.00 178.83 178.17 3fpk h ARG 161 N 0.01 0.00 0.00 1.46 0.11 -0.61 -2.51 114.38 112.84 3fpk h ARG 161 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3fpk h ARG 161 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3fpk h ARG 161 CO -0.00 0.23 0.00 0.66 0.10 0.00 0.00 179.97 180.95 3fpk n TYR 162 N -3.41 0.00 -2.61 4.08 4.01 -0.62 -4.92 117.16 113.70 3fpk n TYR 162 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3fpk n TYR 162 Cb 0.42 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3fpk n TYR 162 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fpk n GLU 163 N -1.08 -2.52 0.00 -0.72 1.02 -0.95 -1.34 120.64 115.06 3fpk n GLU 163 Ca 0.20 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3fpk n GLU 163 Cb 0.13 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.27 3fpk n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fpk n GLY 164 N -0.93 2.17 0.35 0.62 0.00 -1.26 -4.94 105.19 101.20 3fpk n GLY 164 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 3fpk n GLY 164 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fpk h LYS 165 N 2.27 1.13 -5.40 1.61 3.64 -1.53 -3.42 116.57 114.87 3fpk h LYS 165 Ca 0.00 -0.15 -0.61 0.00 -1.27 0.00 0.00 60.65 58.62 3fpk h LYS 165 Cb 0.00 -0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 31.50 3fpk h LYS 165 CO 0.00 0.86 -0.45 -1.17 -2.27 0.00 0.00 179.45 176.42 3fpk s LEU 166 N -9.76 4.25 -0.12 5.20 2.96 -1.26 -1.31 118.68 118.64 3fpk s LEU 166 Ca -0.12 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3fpk s LEU 166 Cb 0.17 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3fpk s LEU 166 CO 0.82 0.21 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.74 3fpk s ARG 167 N 0.09 3.18 -0.18 1.98 0.52 0.47 -4.84 118.95 120.17 3fpk s ARG 167 Ca 0.11 -0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 3fpk s ARG 167 Cb -0.12 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 3fpk s ARG 167 CO 0.01 0.16 0.03 0.42 0.02 0.00 0.00 175.30 175.93 3fpk s ILE 168 N 0.43 4.42 -0.09 1.52 -1.09 -1.26 -0.65 121.20 124.48 3fpk s ILE 168 Ca -0.14 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 3fpk s ILE 168 Cb -0.17 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3fpk s ILE 168 CO 0.06 0.46 -0.10 -1.58 -1.23 0.00 0.00 174.94 172.55 3fpk s GLN 169 N 0.45 1.64 0.07 2.79 2.00 0.65 -4.96 119.66 122.30 3fpk s GLN 169 Ca 0.01 -0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 52.98 3fpk s GLN 169 Cb -0.13 -1.52 -0.05 0.00 0.80 0.00 0.00 33.01 32.11 3fpk s GLN 169 CO 0.01 -0.12 0.29 0.95 -0.50 0.00 0.00 175.29 175.92 3fpk s THR 170 N 1.18 5.27 -0.04 -0.34 -4.23 -1.26 -1.29 115.64 114.93 3fpk s THR 170 Ca -0.05 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 3fpk s THR 170 Cb -0.14 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3fpk s THR 170 CO -0.03 0.18 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.50 3fpk s VAL 171 N -1.49 0.57 -0.06 2.29 1.01 -0.47 -2.02 120.40 120.22 3fpk s VAL 171 Ca 0.35 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.21 3fpk s VAL 171 Cb -0.13 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3fpk s VAL 171 CO 0.23 0.23 -0.14 0.68 0.00 0.00 0.00 175.10 176.09 3fpk s VAL 172 N 0.86 1.29 -0.02 2.92 -7.23 -0.02 -1.19 120.40 117.01 3fpk s VAL 172 Ca -0.12 -0.58 0.12 0.00 -1.81 0.00 0.00 61.98 59.59 3fpk s VAL 172 Cb -0.14 -1.15 -0.17 0.00 0.56 0.00 0.00 36.38 35.47 3fpk s VAL 172 CO 0.01 0.39 0.97 0.77 -0.31 0.00 0.00 175.10 176.92 3fpk h SER 173 N 6.81 0.00 0.00 4.85 4.64 -1.24 -0.54 113.55 128.07 3fpk h SER 173 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3fpk h SER 173 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fpk h SER 173 CO 0.47 0.87 -1.04 0.54 -0.87 0.00 0.00 176.83 176.80 3fpk n ARG 174 N -3.13 0.93 -4.12 4.77 1.74 -0.81 -4.29 116.66 111.75 3fpk n ARG 174 Ca -0.08 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.82 3fpk n ARG 174 Cb 0.94 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.96 3fpk n ARG 174 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3fpk s GLU 175 N -2.82 1.84 -0.24 5.56 -1.05 -1.26 -5.08 118.70 115.65 3fpk s GLU 175 Ca 0.04 -1.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.10 3fpk s GLU 175 Cb 0.13 0.42 0.04 0.00 -0.44 0.00 0.00 34.13 34.28 3fpk s GLU 175 CO 0.75 -0.75 -0.10 -0.80 0.95 0.00 0.00 175.26 175.32 3fpk s ASN 176 N -3.24 4.18 -0.06 0.83 0.01 -1.26 -4.68 114.94 110.72 3fpk s ASN 176 Ca 0.32 -1.02 0.03 0.00 -0.71 0.00 0.00 52.86 51.48 3fpk s ASN 176 Cb 0.00 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 40.07 3fpk s ASN 176 CO 0.20 -0.13 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.81 3fpk s VAL 177 N 1.24 1.43 0.18 1.60 1.01 -1.26 -5.09 120.40 119.51 3fpk s VAL 177 Ca -0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 60.96 3fpk s VAL 177 Cb -0.17 -1.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.84 3fpk s VAL 177 CO -0.06 0.42 1.77 -2.84 0.00 0.00 0.00 175.10 174.38 3fpk s PRO 178 N 0.32 4.13 0.00 2.72 0.02 -1.26 -0.81 135.00 140.12 3fpk s PRO 178 Ca -0.10 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3fpk s PRO 178 Cb -0.14 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3fpk s PRO 178 CO 0.04 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 3fpk n GLY 179 N 4.08 0.75 3.18 0.52 0.00 -1.26 -5.05 105.19 107.41 3fpk n GLY 179 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3fpk n GLY 179 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fpk s SER 180 N -2.50 2.07 0.27 1.61 0.15 0.01 -4.67 113.70 110.65 3fpk s SER 180 Ca 0.00 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 3fpk s SER 180 Cb 0.00 -0.20 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 3fpk s SER 180 CO 0.00 0.17 0.96 -0.76 1.20 0.00 0.00 173.24 174.81 3fpk s LEU 181 N -0.69 4.54 -0.18 3.45 1.43 -0.85 -4.47 118.68 121.90 3fpk s LEU 181 Ca 0.06 1.95 -0.08 0.00 -1.03 0.00 0.00 54.13 55.03 3fpk s LEU 181 Cb -0.07 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3fpk s LEU 181 CO 0.00 0.05 0.08 -0.89 0.23 0.00 0.00 176.35 175.82 3fpk s THR 182 N -1.32 4.97 -4.84 5.49 2.01 -1.26 -0.84 115.64 119.85 3fpk s THR 182 Ca 0.44 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3fpk s THR 182 Cb -0.24 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3fpk s THR 182 CO 0.30 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 3fpk n GLY 183 N 3.34 0.93 3.41 4.40 0.00 -0.21 -4.92 105.19 112.13 3fpk n GLY 183 Ca -0.17 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 3fpk n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fpk s ARG 184 N -1.94 1.77 0.12 1.61 0.52 -1.26 -3.45 118.95 116.33 3fpk s ARG 184 Ca 0.00 -1.15 -0.21 0.00 -0.52 0.00 0.00 55.73 53.85 3fpk s ARG 184 Cb 0.00 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3fpk s ARG 184 CO 0.00 0.50 1.69 0.28 0.02 0.00 0.00 175.30 177.79 3fpk h VAL 185 N 3.97 0.74 -0.37 3.52 2.07 -1.98 -1.70 116.25 122.50 3fpk h VAL 185 Ca -0.48 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3fpk h VAL 185 Cb 1.16 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3fpk h VAL 185 CO 0.44 0.00 0.21 -0.65 0.02 0.00 0.00 177.57 177.59 3fpk h PRO 186 N -0.08 0.42 -0.70 1.57 0.11 -1.94 -1.44 132.00 129.93 3fpk h PRO 186 Ca 0.08 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.20 3fpk h PRO 186 Cb 0.20 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3fpk h PRO 186 CO -0.19 0.28 0.46 0.00 -0.21 0.00 0.00 178.00 178.33 3fpk h ALA 187 N 1.17 1.60 0.00 -0.75 0.00 -1.93 -1.60 119.26 117.75 3fpk h ALA 187 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3fpk h ALA 187 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3fpk h ALA 187 CO -0.08 0.33 -0.30 -0.07 0.00 0.00 0.00 179.25 179.13 3fpk h LEU 188 N 0.84 0.00 0.22 0.00 3.38 -0.54 -1.85 115.31 117.36 3fpk h LEU 188 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3fpk h LEU 188 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fpk h LEU 188 CO -0.08 0.30 -0.10 0.40 0.09 0.00 0.00 178.44 179.05 3fpk h ILE 189 N 0.00 0.73 -0.99 1.22 2.04 -0.89 -1.59 117.51 118.03 3fpk h ILE 189 Ca -0.00 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.03 3fpk h ILE 189 Cb 1.05 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 3fpk h ILE 189 CO 0.04 0.17 0.62 -0.08 0.00 0.00 0.00 178.15 178.91 3fpk h GLU 190 N -0.86 0.90 -0.47 2.37 4.22 -1.18 -2.35 114.58 117.22 3fpk h GLU 190 Ca -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.36 3fpk h GLU 190 Cb 0.51 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fpk h GLU 190 CO 0.05 0.60 0.00 0.27 -2.18 0.00 0.00 179.01 177.75 3fpk n ASN 191 N -4.62 2.85 0.00 1.04 0.23 -0.71 -4.95 115.26 109.10 3fpk n ASN 191 Ca 0.19 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.28 3fpk n ASN 191 Cb 0.39 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3fpk n ASN 191 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fpk n GLY 192 N 1.36 1.90 0.20 4.83 0.00 -0.88 -4.92 105.19 107.69 3fpk n GLY 192 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3fpk n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fpk h GLU 193 N 2.39 0.65 -0.34 1.61 4.39 -1.72 0.40 114.58 121.97 3fpk h GLU 193 Ca 0.00 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3fpk h GLU 193 Cb 0.00 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3fpk h GLU 193 CO 0.00 0.65 0.17 1.25 -1.16 0.00 0.00 179.01 179.93 3fpk h LEU 194 N 0.52 0.43 -0.69 1.33 5.85 -1.63 0.42 115.31 121.54 3fpk h LEU 194 Ca 0.13 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3fpk h LEU 194 Cb 0.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3fpk h LEU 194 CO -0.00 0.41 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.12 3fpk h GLU 195 N 0.41 0.94 -0.25 1.25 5.08 -1.76 0.11 114.58 120.37 3fpk h GLU 195 Ca 0.12 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3fpk h GLU 195 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3fpk h GLU 195 CO -0.02 0.97 0.11 -0.22 -1.00 0.00 0.00 179.01 178.86 3fpk h LYS 196 N 0.85 0.36 -0.26 2.33 3.64 -0.59 0.55 116.57 123.45 3fpk h LYS 196 Ca 0.14 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3fpk h LYS 196 Cb 0.60 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3fpk h LYS 196 CO 0.04 0.38 0.05 0.00 -2.27 0.00 0.00 179.45 177.65 3fpk h ALA 197 N 0.97 0.34 -0.49 5.00 0.00 0.23 -3.07 119.26 122.24 3fpk h ALA 197 Ca 0.08 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3fpk h ALA 197 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fpk h ALA 197 CO -0.01 0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.37 3fpk h VAL 198 N 0.25 1.27 0.00 0.00 2.07 -0.81 -3.48 116.25 115.55 3fpk h VAL 198 Ca 0.08 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3fpk h VAL 198 Cb 0.31 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3fpk h VAL 198 CO 0.00 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.66 3fpk n GLY 199 N -0.24 0.77 3.01 2.17 0.00 0.17 -5.06 105.19 106.01 3fpk n GLY 199 Ca 0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3fpk n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fpk s LEU 200 N 0.00 1.87 0.51 0.99 1.43 -1.15 -5.04 118.68 117.29 3fpk s LEU 200 Ca 0.00 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3fpk s LEU 200 Cb 0.00 0.32 -0.08 0.00 0.03 0.00 0.00 46.19 46.46 3fpk s LEU 200 CO 0.00 -0.24 0.99 -2.16 0.23 0.00 0.00 176.35 175.17 3fpk s PRO 201 N -0.99 3.94 -0.37 1.29 0.04 -1.26 -4.55 135.00 133.10 3fpk s PRO 201 Ca -0.11 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 3fpk s PRO 201 Cb -0.06 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.43 3fpk s PRO 201 CO 0.00 -0.28 0.13 1.41 0.04 0.00 0.00 177.00 178.30 3fpk s MET 202 N -3.94 2.14 0.25 4.56 1.75 -1.26 -4.85 119.30 117.95 3fpk s MET 202 Ca 0.60 -1.62 -0.14 0.00 -1.25 0.00 0.00 55.69 53.28 3fpk s MET 202 Cb -0.10 -3.44 -0.00 0.00 2.84 0.00 0.00 34.83 34.13 3fpk s MET 202 CO 0.29 -0.90 0.52 0.16 -0.65 0.00 0.00 175.02 174.44 3fpk s ASP 203 N 1.58 -0.12 0.49 1.11 1.47 -1.26 -5.03 116.67 114.91 3fpk s ASP 203 Ca 0.04 -0.87 0.28 0.00 1.18 0.00 0.00 52.55 53.18 3fpk s ASP 203 Cb -0.21 0.61 0.91 0.00 -0.34 0.00 0.00 42.92 43.89 3fpk s ASP 203 CO -0.03 -1.18 1.82 0.07 0.68 0.00 0.00 175.17 176.53 3fpk h LYS 204 N 2.21 0.00 0.02 2.11 2.10 -1.87 0.16 116.57 121.30 3fpk h LYS 204 Ca -0.25 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.15 3fpk h LYS 204 Cb 1.25 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3fpk h LYS 204 CO 0.33 0.04 -1.03 0.93 -2.00 0.00 0.00 179.45 177.72 3fpk h GLU 205 N 0.00 0.54 0.00 0.07 3.07 -1.97 -3.39 114.58 112.90 3fpk h GLU 205 Ca -0.00 -0.61 -0.03 0.00 -0.50 0.00 0.00 59.36 58.23 3fpk h GLU 205 Cb 0.74 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3fpk h GLU 205 CO 0.00 1.23 -1.45 0.25 -1.40 0.00 0.00 179.01 177.64 3fpk n THR 206 N -3.78 0.10 -4.24 1.13 -2.24 -1.13 -4.82 114.28 99.30 3fpk n THR 206 Ca -0.09 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 3fpk n THR 206 Cb 0.88 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 3fpk n THR 206 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fpk s SER 207 N -3.23 4.49 0.07 3.42 0.01 0.03 -1.18 113.70 117.32 3fpk s SER 207 Ca -0.04 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 56.86 3fpk s SER 207 Cb 0.05 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 3fpk s SER 207 CO 0.38 0.12 -0.23 -2.28 0.41 0.00 0.00 173.24 171.63 3fpk s HIS 208 N -1.55 2.04 -0.15 2.43 2.46 -0.57 -4.81 115.29 115.14 3fpk s HIS 208 Ca 0.25 -0.39 0.01 0.00 0.47 0.00 0.00 55.06 55.39 3fpk s HIS 208 Cb -0.10 -1.18 0.02 0.00 -0.13 0.00 0.00 32.58 31.20 3fpk s HIS 208 CO 0.16 0.17 -0.16 0.08 -2.47 0.00 0.00 174.74 172.52 3fpk s VAL 209 N -0.92 1.69 -0.05 0.89 1.01 0.56 -1.06 120.40 122.52 3fpk s VAL 209 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3fpk s VAL 209 Cb -0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3fpk s VAL 209 CO 0.03 0.48 0.30 -0.04 0.00 0.00 0.00 175.10 175.86 3fpk s MET 210 N 1.35 3.71 -0.05 2.72 -1.94 0.13 -0.79 119.30 124.43 3fpk s MET 210 Ca 0.03 0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.19 3fpk s MET 210 Cb -0.13 -3.20 0.02 0.00 2.01 0.00 0.00 34.83 33.53 3fpk s MET 210 CO -0.10 0.73 -0.04 -0.51 -0.01 0.00 0.00 175.02 175.09 3fpk s LEU 211 N -1.09 1.22 -0.03 -0.03 1.02 0.45 -0.61 118.68 119.62 3fpk s LEU 211 Ca 0.20 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.22 3fpk s LEU 211 Cb -0.15 -0.45 0.03 0.00 0.02 0.00 0.00 46.19 45.64 3fpk s LEU 211 CO 0.10 -0.08 0.05 0.00 0.02 0.00 0.00 176.35 176.45 3fpk n GLY 213 N 3.91 0.21 3.70 0.00 0.00 -0.73 -2.49 105.19 109.78 3fpk n GLY 213 Ca -0.24 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3fpk n GLY 213 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fpk n ASN 214 N 0.00 4.04 0.26 1.61 2.85 -1.26 -0.88 115.26 121.87 3fpk n ASN 214 Ca 0.00 1.01 0.11 0.00 -0.11 0.00 0.00 54.58 55.59 3fpk n ASN 214 Cb 0.00 -1.56 0.69 0.00 1.24 0.00 0.00 39.78 40.15 3fpk n ASN 214 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3fpk h PRO 215 N 8.08 0.00 -0.18 1.20 0.13 -1.96 -1.19 132.00 138.08 3fpk h PRO 215 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 3fpk h PRO 215 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fpk h PRO 215 CO 0.95 0.13 -0.10 0.37 -0.23 0.00 0.00 178.00 179.12 3fpk h GLN 216 N 0.00 0.38 -0.42 0.86 4.15 -1.94 0.20 115.11 118.34 3fpk h GLN 216 Ca -0.00 -0.17 0.05 0.00 0.77 0.00 0.00 58.65 59.29 3fpk h GLN 216 Cb 0.33 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3fpk h GLN 216 CO 0.02 0.70 0.17 1.98 -1.93 0.00 0.00 178.83 179.77 3fpk h MET 217 N 0.06 0.35 0.27 1.69 4.05 -1.68 -1.34 114.93 118.32 3fpk h MET 217 Ca 0.04 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3fpk h MET 217 Cb 0.59 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3fpk h MET 217 CO 0.03 0.23 -0.13 0.28 0.23 0.00 0.00 176.91 177.55 3fpk h VAL 218 N 0.36 0.77 0.54 -5.77 2.07 -1.16 -1.55 116.25 111.51 3fpk h VAL 218 Ca 0.19 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3fpk h VAL 218 Cb 0.15 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3fpk h VAL 218 CO -0.17 0.08 -0.31 -0.09 0.02 0.00 0.00 177.57 177.10 3fpk h ARG 219 N -0.56 -0.77 -0.75 1.57 2.43 -0.94 -1.09 114.38 114.27 3fpk h ARG 219 Ca -0.04 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3fpk h ARG 219 Cb 0.41 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 3fpk h ARG 219 CO 0.06 -0.51 0.39 -0.44 -1.51 0.00 0.00 179.97 177.96 3fpk h ASP 220 N -0.80 0.54 -0.30 -3.80 3.32 -1.30 -0.26 116.42 113.82 3fpk h ASP 220 Ca -0.07 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3fpk h ASP 220 Cb 0.64 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3fpk h ASP 220 CO 0.08 0.31 -0.10 0.74 -1.72 0.00 0.00 179.24 178.55 3fpk h THR 221 N 0.67 1.29 -1.00 0.35 2.02 -1.22 -1.55 112.91 113.46 3fpk h THR 221 Ca 0.36 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3fpk h THR 221 Cb 0.36 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 3fpk h THR 221 CO -0.26 0.37 0.65 1.56 0.37 0.00 0.00 175.52 178.21 3fpk h GLN 222 N 0.35 1.20 -0.28 6.66 4.20 -0.89 -1.53 115.11 124.82 3fpk h GLN 222 Ca 0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3fpk h GLN 222 Cb 0.59 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3fpk h GLN 222 CO 0.03 0.80 0.09 0.37 -0.67 0.00 0.00 178.83 179.45 3fpk h GLN 223 N 1.24 0.43 -0.45 1.46 5.75 -0.88 -2.45 115.11 120.21 3fpk h GLN 223 Ca 0.41 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 3fpk h GLN 223 Cb 0.06 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3fpk h GLN 223 CO -0.14 0.50 0.29 1.25 -2.65 0.00 0.00 178.83 178.07 3fpk h LEU 224 N 0.29 0.53 -0.56 -2.39 5.85 -0.89 -1.50 115.31 116.64 3fpk h LEU 224 Ca 0.09 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 3fpk h LEU 224 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3fpk h LEU 224 CO -0.00 0.41 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.91 3fpk h LEU 225 N 0.61 0.58 0.90 2.25 3.38 -1.25 0.62 115.31 122.40 3fpk h LEU 225 Ca 0.16 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3fpk h LEU 225 Cb -0.04 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fpk h LEU 225 CO -0.03 1.00 -0.43 0.50 0.09 0.00 0.00 178.44 179.56 3fpk h LYS 226 N 0.41 -1.17 -0.13 1.13 3.64 -1.32 0.66 116.57 119.79 3fpk h LYS 226 Ca 0.01 0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3fpk h LYS 226 Cb 1.06 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3fpk h LYS 226 CO 0.10 -0.78 -0.15 0.93 -2.27 0.00 0.00 179.45 177.28 3fpk h GLU 227 N -1.21 0.21 0.00 1.90 5.08 -1.14 -2.29 114.58 117.13 3fpk h GLU 227 Ca -0.12 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 57.92 3fpk h GLU 227 Cb 0.93 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 3fpk h GLU 227 CO 0.20 0.37 -2.03 2.41 -1.00 0.00 0.00 179.01 178.96 3fpk n THR 228 N -4.26 1.00 -0.72 1.13 -1.04 0.20 -4.64 114.28 105.95 3fpk n THR 228 Ca -0.01 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 3fpk n THR 228 Cb 0.28 -0.56 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 3fpk n THR 228 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fpk n ARG 229 N -2.54 1.11 -2.65 -2.82 1.74 0.17 -5.00 116.66 106.66 3fpk n ARG 229 Ca -0.24 -0.97 -0.18 0.00 -0.77 0.00 0.00 57.85 55.69 3fpk n ARG 229 Cb 0.97 -0.72 -0.00 0.00 -1.02 0.00 0.00 32.46 31.69 3fpk n ARG 229 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3fpk n GLN 230 N -0.24 -2.67 -3.62 5.56 3.00 -0.86 -4.40 117.38 114.15 3fpk n GLN 230 Ca 0.01 0.73 -0.36 0.00 -0.01 0.00 0.00 57.00 57.37 3fpk n GLN 230 Cb 0.43 -5.41 -0.06 0.00 0.00 0.00 0.00 30.24 25.21 3fpk n GLN 230 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3fpk s MET 231 N -5.28 3.74 0.21 -1.09 -1.94 -0.93 -4.94 119.30 109.08 3fpk s MET 231 Ca 0.10 0.16 0.07 0.00 -1.71 0.00 0.00 55.69 54.31 3fpk s MET 231 Cb -0.05 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 3fpk s MET 231 CO 0.13 0.63 -0.12 0.95 -0.01 0.00 0.00 175.02 176.60 3fpk s THR 232 N -1.27 1.61 0.19 2.05 -4.23 -1.26 -3.08 115.64 109.66 3fpk s THR 232 Ca 0.28 -2.17 -0.31 0.00 -1.18 0.00 0.00 61.69 58.31 3fpk s THR 232 Cb -0.14 -2.11 -0.10 0.00 1.34 0.00 0.00 72.50 71.49 3fpk s THR 232 CO 0.15 -0.54 1.50 -0.54 -0.54 0.00 0.00 174.62 174.65 3fpk s LYS 233 N -3.68 4.25 0.08 3.99 1.02 -1.26 0.34 119.74 124.47 3fpk s LYS 233 Ca 0.23 2.30 -0.30 0.00 0.02 0.00 0.00 55.97 58.23 3fpk s LYS 233 Cb 0.01 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 3fpk s LYS 233 CO 0.07 -0.51 0.97 -1.58 -0.92 0.00 0.00 175.35 173.38 3fpk s HIS 234 N 0.69 3.76 0.05 3.18 5.65 -0.20 -4.30 115.29 124.13 3fpk s HIS 234 Ca 0.65 1.77 0.03 0.00 0.25 0.00 0.00 55.06 57.76 3fpk s HIS 234 Cb -0.42 -3.08 -0.02 0.00 -1.18 0.00 0.00 32.58 27.88 3fpk s HIS 234 CO 0.36 0.14 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.98 3fpk s LEU 235 N 0.32 2.25 0.29 8.88 1.43 -0.80 -4.83 118.68 126.23 3fpk s LEU 235 Ca 0.49 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 3fpk s LEU 235 Cb -0.23 -0.24 0.73 0.00 0.03 0.00 0.00 46.19 46.48 3fpk s LEU 235 CO 0.29 -0.16 1.71 0.03 0.23 0.00 0.00 176.35 178.45 3fpk h ARG 236 N 4.52 0.44 0.00 1.70 3.08 -1.97 -1.89 114.38 120.26 3fpk h ARG 236 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3fpk h ARG 236 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3fpk h ARG 236 CO 0.41 0.29 -0.43 0.54 -1.07 0.00 0.00 179.97 179.70 3fpk n ARG 237 N -5.00 0.28 -3.25 0.04 1.74 -1.26 -4.47 116.66 104.74 3fpk n ARG 237 Ca 0.22 0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 57.20 3fpk n ARG 237 Cb 0.64 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.29 3fpk n ARG 237 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3fpk n ARG 238 N -2.15 0.30 -1.74 5.56 5.12 -0.76 -5.13 116.66 117.86 3fpk n ARG 238 Ca 0.04 -2.95 -0.42 0.00 -1.93 0.00 0.00 57.85 52.59 3fpk n ARG 238 Cb 0.44 -1.59 -0.01 0.00 -1.16 0.00 0.00 32.46 30.13 3fpk n ARG 238 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3fpk n PRO 239 N 2.72 2.59 0.00 5.56 -0.02 -0.90 -1.90 135.00 143.06 3fpk n PRO 239 Ca 0.27 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 3fpk n PRO 239 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3fpk n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpk n GLY 240 N 1.78 4.73 0.00 -1.23 0.00 -1.26 -4.82 105.19 104.39 3fpk n GLY 240 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3fpk n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fpk n HIS 241 N 0.00 0.00 -4.23 1.61 8.25 0.15 -4.62 115.22 116.38 3fpk n HIS 241 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3fpk n HIS 241 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 3fpk n HIS 241 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fpk s MET 242 N -0.89 0.93 -0.05 -0.41 -1.94 -0.63 -0.32 119.30 115.99 3fpk s MET 242 Ca 0.00 -0.15 0.05 0.00 -1.71 0.00 0.00 55.69 53.88 3fpk s MET 242 Cb 0.00 -0.89 -0.02 0.00 2.01 0.00 0.00 34.83 35.93 3fpk s MET 242 CO 0.00 -0.05 -0.20 0.99 -0.01 0.00 0.00 175.02 175.75 3fpk s THR 243 N 0.82 2.57 0.03 2.05 2.01 0.03 -1.03 115.64 122.11 3fpk s THR 243 Ca -0.12 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.02 3fpk s THR 243 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3fpk s THR 243 CO 0.01 0.58 -0.11 0.00 -0.69 0.00 0.00 174.62 174.41 3fpk s ALA 244 N -0.50 0.87 -0.19 7.40 0.00 -1.26 -0.41 121.76 127.67 3fpk s ALA 244 Ca 0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3fpk s ALA 244 Cb -0.11 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 22.96 3fpk s ALA 244 CO 0.01 0.14 0.12 -2.00 0.00 0.00 0.00 175.76 174.03 3fpk s GLU 245 N -1.00 0.10 0.39 0.00 2.12 -0.09 -4.94 118.70 115.28 3fpk s GLU 245 Ca -0.01 -0.09 -0.24 0.00 0.36 0.00 0.00 54.97 54.99 3fpk s GLU 245 Cb -0.07 -1.65 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 3fpk s GLU 245 CO 0.01 -0.71 1.01 -1.01 -0.54 0.00 0.00 175.26 174.01 3fpk s HIS 246 N 2.16 3.36 -0.80 5.30 3.76 -1.26 -1.78 115.29 126.04 3fpk s HIS 246 Ca 0.04 1.67 0.23 0.00 -0.15 0.00 0.00 55.06 56.85 3fpk s HIS 246 Cb -0.16 -3.04 0.13 0.00 1.11 0.00 0.00 32.58 30.62 3fpk s HIS 246 CO -0.13 -0.37 1.12 0.66 -0.85 0.00 0.00 174.74 175.17 3fpk n TYR 247 N -0.03 0.14 -1.75 1.40 4.02 -0.06 -4.82 117.16 116.06 3fpk n TYR 247 Ca 0.05 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 3fpk n TYR 247 Cb 0.50 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3fpk n TYR 247 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18