#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mly s VAL 2 N 0.00 3.54 0.04 1.69 1.01 -1.26 -4.57 120.40 120.86 3mly s VAL 2 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.30 3mly s VAL 2 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3mly s VAL 2 CO 0.00 0.18 -0.18 -1.10 0.00 0.00 0.00 175.10 173.99 3mly s GLN 3 N 0.02 1.24 -0.05 2.72 -0.21 0.03 -4.98 119.66 118.42 3mly s GLN 3 Ca 0.55 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 55.11 3mly s GLN 3 Cb -0.33 -1.32 -0.02 0.00 1.00 0.00 0.00 33.01 32.34 3mly s GLN 3 CO 0.36 0.33 -0.21 -0.51 -2.12 0.00 0.00 175.29 173.14 3mly s LEU 4 N -1.16 2.31 -0.06 2.90 1.43 -1.26 -1.06 118.68 121.77 3mly s LEU 4 Ca 0.06 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3mly s LEU 4 Cb -0.08 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.73 3mly s LEU 4 CO 0.02 0.30 0.00 -1.58 0.23 0.00 0.00 176.35 175.32 3mly s GLN 5 N -0.47 0.55 0.38 1.70 2.00 -0.58 -4.17 119.66 119.07 3mly s GLN 5 Ca 0.06 0.11 -0.23 0.00 -2.00 0.00 0.00 55.36 53.29 3mly s GLN 5 Cb -0.12 -0.89 -0.10 0.00 0.80 0.00 0.00 33.01 32.70 3mly s GLN 5 CO 0.01 -0.28 0.96 -1.21 -0.50 0.00 0.00 175.29 174.27 3mly s GLU 6 N 1.84 4.36 -0.05 1.67 8.01 -1.26 -0.87 118.70 132.40 3mly s GLU 6 Ca 0.03 1.25 0.02 0.00 0.01 0.00 0.00 54.97 56.27 3mly s GLU 6 Cb -0.12 -2.47 0.01 0.00 -4.31 0.00 0.00 34.13 27.24 3mly s GLU 6 CO -0.04 0.08 -0.09 -1.54 0.01 0.00 0.00 175.26 173.67 3mly s SER 7 N -1.89 1.41 0.20 -0.19 1.04 0.77 -4.97 113.70 110.07 3mly s SER 7 Ca 0.57 -0.22 -0.23 0.00 0.48 0.00 0.00 55.95 56.54 3mly s SER 7 Cb -0.14 -0.59 0.05 0.00 0.10 0.00 0.00 66.02 65.44 3mly s SER 7 CO 0.19 0.02 0.74 -0.83 0.98 0.00 0.00 173.24 174.34 3mly s GLY 8 N 0.59 -0.29 0.37 7.32 0.00 -1.26 -1.46 107.32 112.60 3mly s GLY 8 Ca -0.11 0.09 0.25 0.00 0.00 0.00 0.00 44.72 44.95 3mly s GLY 8 CO 0.02 0.03 1.69 -0.56 0.00 0.00 0.00 173.10 174.27 3mly h PRO 9 N 2.00 0.00 0.00 2.90 0.13 -1.92 -3.48 132.00 131.63 3mly h PRO 9 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3mly h PRO 9 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3mly h PRO 9 CO 0.28 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 3mly n GLY 10 N 1.05 2.08 3.57 1.56 0.00 -1.26 -4.89 105.19 107.31 3mly n GLY 10 Ca 0.04 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3mly n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mly s LEU 11 N 0.00 3.25 -0.02 0.99 1.43 -1.26 0.35 118.68 123.41 3mly s LEU 11 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3mly s LEU 11 Cb 0.00 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3mly s LEU 11 CO 0.00 0.31 -0.10 -0.69 0.23 0.00 0.00 176.35 176.10 3mly s VAL 12 N -0.49 0.83 0.29 -1.59 1.01 -0.25 -4.93 120.40 115.28 3mly s VAL 12 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3mly s VAL 12 Cb -0.12 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.43 3mly s VAL 12 CO 0.02 0.25 1.17 -0.54 0.00 0.00 0.00 175.10 176.00 3mly s LYS 13 N 0.10 4.55 0.46 2.72 -0.14 -1.26 -1.46 119.74 124.71 3mly s LYS 13 Ca -0.02 1.94 -0.23 0.00 -1.36 0.00 0.00 55.97 56.30 3mly s LYS 13 Cb -0.08 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 3mly s LYS 13 CO 0.00 0.08 1.08 -0.35 -0.76 0.00 0.00 175.35 175.40 3mly n PRO 14 N 1.12 1.43 0.00 -1.68 -0.04 -1.26 -1.98 135.00 132.58 3mly n PRO 14 Ca -0.01 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 3mly n PRO 14 Cb 0.44 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3mly n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mly n SER 15 N 0.15 0.00 -4.22 3.54 3.41 0.96 -4.91 113.62 112.55 3mly n SER 15 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.49 3mly n SER 15 Cb 0.41 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.48 3mly n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mly n GLU 16 N -2.00 -0.22 -3.76 4.33 1.02 -0.84 -3.65 120.64 115.52 3mly n GLU 16 Ca 0.00 -2.38 -0.35 0.00 -0.02 0.00 0.00 57.16 54.41 3mly n GLU 16 Cb 0.00 -0.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.64 3mly n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mly s THR 17 N -2.92 5.41 -0.14 2.62 2.01 -1.26 -2.11 115.64 119.25 3mly s THR 17 Ca 0.62 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 3mly s THR 17 Cb -0.03 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 3mly s THR 17 CO 0.41 0.47 0.58 -0.22 -0.69 0.00 0.00 174.62 175.17 3mly s LEU 18 N 0.16 4.23 -0.12 4.42 0.20 0.19 -4.93 118.68 122.84 3mly s LEU 18 Ca 0.09 0.90 0.02 0.00 0.69 0.00 0.00 54.13 55.83 3mly s LEU 18 Cb -0.11 -2.85 0.01 0.00 -0.43 0.00 0.00 46.19 42.81 3mly s LEU 18 CO -0.01 -0.13 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.29 3mly s SER 19 N 0.89 2.73 0.15 3.68 0.01 -1.26 -0.54 113.70 119.37 3mly s SER 19 Ca 0.30 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.13 3mly s SER 19 Cb -0.16 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 3mly s SER 19 CO 0.12 0.06 -0.18 -0.76 0.41 0.00 0.00 173.24 172.90 3mly s LEU 20 N 0.80 2.41 0.07 2.44 1.43 -0.46 -4.43 118.68 120.95 3mly s LEU 20 Ca -0.09 -0.83 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 3mly s LEU 20 Cb -0.16 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 3mly s LEU 20 CO 0.00 -0.04 -0.15 -0.89 0.23 0.00 0.00 176.35 175.50 3mly s THR 21 N -1.95 1.23 -0.10 5.49 2.01 -0.54 -0.71 115.64 121.07 3mly s THR 21 Ca 0.13 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.89 3mly s THR 21 Cb -0.06 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3mly s THR 21 CO 0.06 -0.13 -0.21 0.00 -0.69 0.00 0.00 174.62 173.64 3mly s THR 23 N 0.46 4.44 -0.23 0.00 2.01 -0.05 -1.84 115.64 120.44 3mly s THR 23 Ca -0.17 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 3mly s THR 23 Cb -0.17 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 3mly s THR 23 CO 0.07 0.44 0.15 -0.69 -0.69 0.00 0.00 174.62 173.90 3mly s VAL 24 N 0.65 5.34 0.09 3.82 1.01 -0.25 -1.53 120.40 129.53 3mly s VAL 24 Ca 0.02 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3mly s VAL 24 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3mly s VAL 24 CO 0.02 0.38 -0.15 -0.94 0.00 0.00 0.00 175.10 174.41 3mly s SER 25 N 0.83 1.86 -0.21 3.32 1.04 -0.23 -4.70 113.70 115.61 3mly s SER 25 Ca 0.07 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3mly s SER 25 Cb -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.93 3mly s SER 25 CO 0.02 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.77 3mly n GLY 26 N 1.05 0.51 0.00 7.32 0.00 -1.26 -0.79 105.19 112.01 3mly n GLY 26 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3mly n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mly n GLY 27 N -1.91 1.76 3.25 -0.02 0.00 -1.26 -4.01 105.19 103.00 3mly n GLY 27 Ca -0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3mly n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mly s SER 28 N 0.85 -0.06 0.21 1.61 1.04 -1.26 -4.98 113.70 111.11 3mly s SER 28 Ca 0.00 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.00 3mly s SER 28 Cb 0.00 0.37 0.18 0.00 0.10 0.00 0.00 66.02 66.68 3mly s SER 28 CO 0.00 -0.70 1.68 0.40 0.98 0.00 0.00 173.24 175.60 3mly h ILE 29 N 2.89 1.26 -1.06 -1.02 1.08 -1.89 -3.45 117.51 115.33 3mly h ILE 29 Ca -0.33 -1.15 -0.80 0.00 -0.39 0.00 0.00 64.86 62.19 3mly h ILE 29 Cb 1.21 0.92 0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3mly h ILE 29 CO 0.49 0.41 0.20 -0.24 -0.69 0.00 0.00 178.15 178.33 3mly n SER 30 N -4.17 0.34 0.00 1.72 2.88 -1.26 -2.23 113.62 110.90 3mly n SER 30 Ca 0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3mly n SER 30 Cb 0.35 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 3mly n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mly n GLY 31 N 2.02 0.73 3.26 0.46 0.00 -1.26 -5.03 105.19 105.37 3mly n GLY 31 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3mly n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mly s PHE 32 N -2.77 1.33 0.01 1.61 0.40 -0.95 -5.00 117.98 112.61 3mly s PHE 32 Ca 0.00 -0.72 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 3mly s PHE 32 Cb 0.00 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 3mly s PHE 32 CO 0.00 0.12 0.26 -1.01 0.70 0.00 0.00 175.22 175.29 3mly s HIS 33 N -3.17 3.57 0.01 0.36 3.76 -1.26 -2.04 115.29 116.51 3mly s HIS 33 Ca 0.17 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.65 3mly s HIS 33 Cb 0.01 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 3mly s HIS 33 CO 0.02 0.61 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.82 3mly s TRP 34 N -1.32 1.06 0.19 1.40 0.52 -0.03 -1.35 118.94 119.41 3mly s TRP 34 Ca 0.28 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.19 3mly s TRP 34 Cb -0.13 -0.66 -0.05 0.00 -1.15 0.00 0.00 33.47 31.48 3mly s TRP 34 CO 0.17 -0.01 -0.05 -1.12 0.02 0.00 0.00 176.95 175.96 3mly s SER 35 N -0.54 1.77 -0.05 2.95 0.01 -0.26 -0.45 113.70 117.13 3mly s SER 35 Ca 0.03 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.20 3mly s SER 35 Cb -0.05 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 3mly s SER 35 CO 0.00 -0.43 -0.11 0.26 0.41 0.00 0.00 173.24 173.37 3mly s TRP 36 N -3.39 2.80 -0.01 2.43 0.52 -1.20 -1.20 118.94 118.89 3mly s TRP 36 Ca 0.22 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.29 3mly s TRP 36 Cb 0.04 -1.66 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3mly s TRP 36 CO 0.04 0.25 -0.08 0.42 0.02 0.00 0.00 176.95 177.61 3mly s ILE 37 N -0.78 0.61 0.24 2.03 1.09 0.19 -1.05 121.20 123.54 3mly s ILE 37 Ca 0.12 -0.33 0.08 0.00 -1.10 0.00 0.00 60.65 59.42 3mly s ILE 37 Cb -0.11 -0.52 -0.05 0.00 -1.06 0.00 0.00 42.46 40.72 3mly s ILE 37 CO 0.01 0.18 -0.11 0.00 -0.10 0.00 0.00 174.94 174.92 3mly s ARG 38 N -0.14 1.44 -0.26 2.79 1.70 0.04 0.03 118.95 124.56 3mly s ARG 38 Ca 0.02 -1.68 -0.02 0.00 -0.47 0.00 0.00 55.73 53.59 3mly s ARG 38 Cb -0.04 -1.18 0.12 0.00 -0.57 0.00 0.00 34.95 33.29 3mly s ARG 38 CO -0.00 0.13 0.28 -1.14 -1.08 0.00 0.00 175.30 173.49 3mly s GLN 39 N -3.67 0.29 0.71 3.89 0.74 -0.09 -0.62 119.66 120.91 3mly s GLN 39 Ca 0.26 0.03 -0.16 0.00 0.05 0.00 0.00 55.36 55.53 3mly s GLN 39 Cb 0.01 -0.80 0.02 0.00 1.10 0.00 0.00 33.01 33.34 3mly s GLN 39 CO 0.09 -0.88 1.24 -2.30 -0.55 0.00 0.00 175.29 172.89 3mly n PRO 40 N 5.32 0.76 -1.68 1.67 -0.02 -1.26 -1.41 135.00 138.37 3mly n PRO 40 Ca -0.03 0.32 -0.44 0.00 -2.02 0.00 0.00 63.50 61.33 3mly n PRO 40 Cb 0.48 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 3mly n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mly n PRO 41 N -2.37 2.53 -0.94 0.52 -0.04 -1.26 -1.28 135.00 132.16 3mly n PRO 41 Ca 0.15 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.53 3mly n PRO 41 Cb 0.49 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 3mly n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mly n GLY 42 N 4.16 0.92 0.00 0.55 0.00 -1.26 -5.01 105.19 104.55 3mly n GLY 42 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3mly n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mly n LYS 43 N -2.11 1.98 -1.76 1.61 5.02 -0.40 -5.15 118.16 117.35 3mly n LYS 43 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3mly n LYS 43 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 3mly n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mly n GLY 44 N 5.00 0.19 3.81 0.72 0.00 -1.26 -4.73 105.19 108.92 3mly n GLY 44 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3mly n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mly s LEU 45 N 0.00 4.40 -0.15 0.99 1.43 -1.26 -4.15 118.68 119.94 3mly s LEU 45 Ca 0.46 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3mly s LEU 45 Cb -0.02 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.74 3mly s LEU 45 CO 0.31 0.26 -0.09 -0.70 0.23 0.00 0.00 176.35 176.35 3mly s GLU 46 N -0.59 1.78 0.23 1.70 2.12 0.21 -4.97 118.70 119.18 3mly s GLU 46 Ca 0.21 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 3mly s GLU 46 Cb -0.15 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 3mly s GLU 46 CO 0.10 -0.33 1.26 -0.47 -0.54 0.00 0.00 175.26 175.29 3mly s TYR 47 N 1.59 3.29 -0.25 5.30 5.04 -1.26 -0.78 117.35 130.28 3mly s TYR 47 Ca 0.03 1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 3mly s TYR 47 Cb -0.14 -3.55 -0.17 0.00 0.35 0.00 0.00 41.96 38.45 3mly s TYR 47 CO -0.09 -1.60 -0.19 -0.89 -1.34 0.00 0.00 175.55 171.44 3mly n ILE 48 N 2.13 1.52 0.00 3.14 5.41 -0.22 -4.70 119.36 126.64 3mly n ILE 48 Ca 0.04 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.24 3mly n ILE 48 Cb 0.43 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 3mly n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mly n GLY 49 N 2.09 -0.52 3.17 7.39 0.00 -1.25 -0.95 105.19 115.11 3mly n GLY 49 Ca -0.46 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 3mly n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mly s TYR 50 N -2.00 1.01 -0.02 1.61 -0.85 0.34 -3.21 117.35 114.23 3mly s TYR 50 Ca 0.00 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 3mly s TYR 50 Cb 0.00 -0.56 0.01 0.00 0.38 0.00 0.00 41.96 41.79 3mly s TYR 50 CO 0.00 -0.03 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.46 3mly s ILE 51 N -2.51 0.42 0.50 -3.49 2.07 0.40 -1.51 121.20 117.08 3mly s ILE 51 Ca 0.05 -0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.08 3mly s ILE 51 Cb -0.02 -0.41 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3mly s ILE 51 CO -0.01 0.16 0.83 -0.47 -1.91 0.00 0.00 174.94 173.54 3mly s TYR 52 N 0.39 3.57 0.53 3.50 5.04 0.15 -0.85 117.35 129.69 3mly s TYR 52 Ca -0.04 0.92 0.20 0.00 -2.44 0.00 0.00 57.07 55.70 3mly s TYR 52 Cb -0.08 -2.39 1.37 0.00 0.35 0.00 0.00 41.96 41.20 3mly s TYR 52 CO -0.00 -0.35 2.13 0.10 -1.34 0.00 0.00 175.55 176.09 3mly h TYR 53 N 0.19 0.00 0.00 4.97 -0.00 -1.66 -0.27 116.97 120.21 3mly h TYR 53 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 3mly h TYR 53 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 3mly h TYR 53 CO 0.60 0.00 -0.09 -1.13 -0.00 0.00 0.00 178.16 177.54 3mly n SER 54 N -4.41 0.30 0.00 0.10 3.41 -1.26 -4.81 113.62 106.95 3mly n SER 54 Ca -0.01 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 3mly n SER 54 Cb 0.19 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3mly n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mly n GLY 55 N 1.44 1.54 3.77 5.00 0.00 -0.11 -5.10 105.19 111.73 3mly n GLY 55 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3mly n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mly s SER 56 N -1.97 6.17 0.26 1.61 1.04 -1.26 -4.72 113.70 114.82 3mly s SER 56 Ca 0.00 2.55 0.05 0.00 0.48 0.00 0.00 55.95 59.02 3mly s SER 56 Cb 0.00 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 3mly s SER 56 CO 0.00 -0.94 -0.01 0.42 0.98 0.00 0.00 173.24 173.69 3mly s THR 57 N -1.35 1.27 -0.16 2.02 -4.23 -1.26 -0.67 115.64 111.26 3mly s THR 57 Ca 0.60 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 3mly s THR 57 Cb -0.35 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.10 3mly s THR 57 CO 0.44 -0.27 0.38 -0.55 -0.54 0.00 0.00 174.62 174.08 3mly s SER 58 N -3.38 -0.47 0.07 3.99 0.15 -0.57 -4.99 113.70 108.50 3mly s SER 58 Ca 0.30 0.83 0.09 0.00 0.70 0.00 0.00 55.95 57.87 3mly s SER 58 Cb 0.05 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 65.04 3mly s SER 58 CO 0.11 -0.19 -0.22 -0.31 1.20 0.00 0.00 173.24 173.83 3mly s TYR 59 N 1.37 2.44 0.00 3.44 4.12 -1.26 -0.50 117.35 126.96 3mly s TYR 59 Ca -0.09 -0.33 -0.34 0.00 0.02 0.00 0.00 57.07 56.32 3mly s TYR 59 Cb -0.09 -1.38 -0.13 0.00 -1.52 0.00 0.00 41.96 38.84 3mly s TYR 59 CO -0.12 0.25 1.74 -1.71 0.02 0.00 0.00 175.55 175.73 3mly n ASN 60 N 1.39 3.20 0.11 2.29 4.05 -0.13 -4.85 115.26 121.31 3mly n ASN 60 Ca -0.17 1.02 0.18 0.00 0.45 0.00 0.00 54.58 56.07 3mly n ASN 60 Cb 0.52 -1.37 0.74 0.00 1.23 0.00 0.00 39.78 40.90 3mly n ASN 60 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3mly h PRO 61 N 7.70 0.00 0.00 1.20 0.11 -1.95 0.42 132.00 139.47 3mly h PRO 61 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mly h PRO 61 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mly h PRO 61 CO 0.92 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 3mly h SER 62 N 0.00 0.00 0.00 -2.05 4.64 -1.97 -3.02 113.55 111.15 3mly h SER 62 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3mly h SER 62 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3mly h SER 62 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3mly n LEU 63 N -2.78 1.06 0.03 5.97 4.77 0.10 -4.80 117.00 121.35 3mly n LEU 63 Ca -0.00 -1.06 0.20 0.00 -0.03 0.00 0.00 56.01 55.12 3mly n LEU 63 Cb 0.19 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.99 3mly n LEU 63 CO 0.21 0.27 1.18 0.07 -1.33 0.00 0.00 177.39 177.79 3mly h LYS 64 N 0.00 0.00 -0.00 3.23 2.10 -1.33 -0.02 116.57 120.55 3mly h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mly h LYS 64 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 3mly h LYS 64 CO 0.00 0.00 -0.03 -1.13 -2.00 0.00 0.00 179.45 176.29 3mly n SER 65 N -4.19 0.44 0.00 7.07 3.41 -1.26 -4.11 113.62 114.98 3mly n SER 65 Ca 0.09 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3mly n SER 65 Cb 0.60 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3mly n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mly n ARG 66 N -0.78 3.46 -4.28 4.33 1.74 -0.09 -5.07 116.66 115.96 3mly n ARG 66 Ca 0.19 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 3mly n ARG 66 Cb 0.22 -0.50 -0.09 0.00 -1.02 0.00 0.00 32.46 31.07 3mly n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mly s VAL 67 N -0.54 3.92 0.09 1.55 0.11 -0.76 -4.25 120.40 120.52 3mly s VAL 67 Ca 0.00 -0.81 -0.09 0.00 -2.93 0.00 0.00 61.98 58.16 3mly s VAL 67 Cb 0.00 -2.78 -0.00 0.00 -1.53 0.00 0.00 36.38 32.07 3mly s VAL 67 CO 0.00 0.29 0.19 -0.94 -3.33 0.00 0.00 175.10 171.31 3mly s SER 68 N -1.78 0.12 0.07 3.54 1.04 -0.26 -4.91 113.70 111.52 3mly s SER 68 Ca 0.21 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 56.01 3mly s SER 68 Cb -0.11 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3mly s SER 68 CO 0.12 -0.73 -0.09 -0.04 0.98 0.00 0.00 173.24 173.47 3mly s MET 69 N -3.87 0.71 0.13 4.02 -1.94 -1.26 -0.84 119.30 116.25 3mly s MET 69 Ca 0.05 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 3mly s MET 69 Cb 0.05 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 3mly s MET 69 CO -0.11 0.07 0.05 -1.54 -0.01 0.00 0.00 175.02 173.48 3mly s SER 70 N -2.07 0.36 -0.01 3.03 1.04 -1.01 -4.98 113.70 110.07 3mly s SER 70 Ca -0.01 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.24 3mly s SER 70 Cb -0.06 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 3mly s SER 70 CO -0.00 -0.72 -0.07 0.54 0.98 0.00 0.00 173.24 173.98 3mly s VAL 71 N -4.02 0.54 -0.62 5.02 0.11 -1.26 -0.84 120.40 119.32 3mly s VAL 71 Ca 0.24 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3mly s VAL 71 Cb 0.07 -0.47 0.15 0.00 -1.53 0.00 0.00 36.38 34.61 3mly s VAL 71 CO 0.01 0.16 0.40 -0.62 -3.33 0.00 0.00 175.10 171.73 3mly s ASP 72 N -0.00 4.44 0.60 3.54 3.68 0.30 -4.95 116.67 124.28 3mly s ASP 72 Ca 0.00 -3.49 0.31 0.00 2.13 0.00 0.00 52.55 51.51 3mly s ASP 72 Cb -0.04 -1.55 1.84 0.00 -1.45 0.00 0.00 42.92 41.72 3mly s ASP 72 CO -0.00 -0.14 2.22 0.71 0.13 0.00 0.00 175.17 178.08 3mly h THR 73 N 4.80 0.43 -0.11 1.71 1.35 -1.88 -1.20 112.91 118.02 3mly h THR 73 Ca 0.07 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.80 3mly h THR 73 Cb 0.81 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3mly h THR 73 CO 0.68 0.00 -0.49 0.77 -0.25 0.00 0.00 175.52 176.23 3mly h SER 74 N 0.00 0.31 -0.07 5.36 4.64 -1.92 -2.71 113.55 119.17 3mly h SER 74 Ca 0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3mly h SER 74 Cb 0.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3mly h SER 74 CO -0.00 0.76 0.00 0.54 -0.87 0.00 0.00 176.83 177.26 3mly n ARG 75 N -3.96 2.32 -3.77 4.77 1.74 -0.57 -4.96 116.66 112.23 3mly n ARG 75 Ca -0.02 -1.93 -0.23 0.00 -0.77 0.00 0.00 57.85 54.90 3mly n ARG 75 Cb 0.54 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 3mly n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mly n ASN 76 N 1.32 -1.45 -4.24 0.55 4.13 -0.56 -4.78 115.26 110.23 3mly n ASN 76 Ca 0.15 -0.84 -0.16 0.00 1.68 0.00 0.00 54.58 55.40 3mly n ASN 76 Cb 0.59 -3.88 -0.11 0.00 -1.54 0.00 0.00 39.78 34.84 3mly n ASN 76 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3mly s GLN 77 N -6.14 1.03 0.06 3.52 -0.21 -0.92 -1.09 119.66 115.91 3mly s GLN 77 Ca 0.08 -1.30 -0.01 0.00 0.02 0.00 0.00 55.36 54.14 3mly s GLN 77 Cb -0.04 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 3mly s GLN 77 CO 0.83 0.13 -0.01 -0.59 -2.12 0.00 0.00 175.29 173.53 3mly s PHE 78 N -2.55 0.55 0.14 0.91 -0.12 -0.76 -0.54 117.98 115.61 3mly s PHE 78 Ca 0.11 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 55.93 3mly s PHE 78 Cb -0.02 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 3mly s PHE 78 CO 0.02 -0.41 0.00 -1.12 -0.05 0.00 0.00 175.22 173.67 3mly s SER 79 N -2.93 0.88 -0.03 1.98 0.01 -0.02 -0.21 113.70 113.38 3mly s SER 79 Ca 0.09 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.25 3mly s SER 79 Cb 0.08 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 3mly s SER 79 CO -0.08 -0.60 -0.15 -0.22 0.41 0.00 0.00 173.24 172.59 3mly s LEU 80 N -3.10 1.94 -0.10 2.44 2.96 0.11 -2.40 118.68 120.53 3mly s LEU 80 Ca 0.21 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3mly s LEU 80 Cb 0.07 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3mly s LEU 80 CO 0.01 0.16 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.48 3mly s GLU 81 N -0.12 1.78 0.26 1.98 2.02 -0.02 -1.35 118.70 123.26 3mly s GLU 81 Ca 0.01 -0.39 0.09 0.00 0.02 0.00 0.00 54.97 54.70 3mly s GLU 81 Cb -0.09 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 3mly s GLU 81 CO 0.01 -0.15 -0.13 -1.17 0.02 0.00 0.00 175.26 173.83 3mly s LEU 82 N 1.28 2.57 -0.16 1.80 2.96 0.30 -1.10 118.68 126.33 3mly s LEU 82 Ca -0.02 -1.09 -0.00 0.00 -0.22 0.00 0.00 54.13 52.80 3mly s LEU 82 Cb -0.14 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.72 3mly s LEU 82 CO -0.04 -0.16 0.01 -1.20 -1.32 0.00 0.00 176.35 173.64 3mly n SER 82 N -0.55 0.05 -4.78 3.68 7.64 -1.07 -0.64 113.62 117.95 3mly n SER 82 Ca -0.06 -0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.35 3mly n SER 82 Cb 0.61 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.66 3mly n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mly s VAL 82 N -2.84 3.38 0.39 0.44 -7.23 -0.90 -4.55 120.40 109.08 3mly s VAL 82 Ca 0.01 0.76 0.05 0.00 -1.81 0.00 0.00 61.98 60.99 3mly s VAL 82 Cb -0.01 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 3mly s VAL 82 CO 0.10 -0.28 0.18 0.35 -0.31 0.00 0.00 175.10 175.14 3mly n THR 83 N -1.69 0.00 0.27 5.32 -2.24 -1.26 -0.03 114.28 114.66 3mly n THR 83 Ca 0.10 -2.37 0.18 0.00 -2.27 0.00 0.00 64.05 59.69 3mly n THR 83 Cb 0.52 0.94 0.93 0.00 -2.10 0.00 0.00 70.33 70.62 3mly n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mly h ALA 84 N 1.77 1.48 0.00 6.98 0.00 -1.82 0.99 119.26 128.67 3mly h ALA 84 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mly h ALA 84 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mly h ALA 84 CO 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3mly h ALA 85 N 1.72 1.00 -0.01 0.00 0.00 -1.94 -2.24 119.26 117.79 3mly h ALA 85 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mly h ALA 85 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mly h ALA 85 CO -0.00 0.00 -0.19 -0.25 0.00 0.00 0.00 179.25 178.81 3mly n ASP 86 N -2.55 1.67 -4.68 0.00 8.00 0.34 -4.88 116.55 114.45 3mly n ASP 86 Ca 0.00 -1.36 -0.42 0.00 0.71 0.00 0.00 54.79 53.72 3mly n ASP 86 Cb 0.17 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3mly n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mly s THR 87 N -2.28 3.23 -0.22 -3.53 2.01 -0.85 -4.85 115.64 109.16 3mly s THR 87 Ca 0.27 0.52 -0.36 0.00 0.31 0.00 0.00 61.69 62.43 3mly s THR 87 Cb 0.20 -3.33 0.15 0.00 0.01 0.00 0.00 72.50 69.52 3mly s THR 87 CO 0.45 -0.02 1.29 0.00 -0.69 0.00 0.00 174.62 175.64 3mly s ALA 88 N 3.31 -2.15 -0.07 7.40 0.00 -0.75 -4.30 121.76 125.21 3mly s ALA 88 Ca 0.75 1.66 -0.28 0.00 0.00 0.00 0.00 51.96 54.10 3mly s ALA 88 Cb -0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3mly s ALA 88 CO 0.32 -0.61 0.92 0.08 0.00 0.00 0.00 175.76 176.47 3mly s VAL 89 N -2.25 4.88 -0.20 0.00 1.01 -0.50 -1.00 120.40 122.34 3mly s VAL 89 Ca 0.11 1.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.91 3mly s VAL 89 Cb -0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3mly s VAL 89 CO -0.04 0.11 0.05 -0.31 0.00 0.00 0.00 175.10 174.92 3mly s TYR 90 N 1.42 3.17 -0.06 5.22 1.51 0.33 -0.91 117.35 128.04 3mly s TYR 90 Ca 0.47 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 3mly s TYR 90 Cb -0.19 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3mly s TYR 90 CO 0.21 -0.02 -0.08 0.71 -1.11 0.00 0.00 175.55 175.26 3mly s TYR 91 N 0.73 2.89 0.23 2.71 2.02 0.10 -1.22 117.35 124.82 3mly s TYR 91 Ca 0.03 -0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3mly s TYR 91 Cb -0.14 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3mly s TYR 91 CO 0.02 0.31 0.44 0.00 -1.57 0.00 0.00 175.55 174.75 3mly s ALA 93 N -1.94 -1.20 -0.08 0.00 0.00 -0.34 -1.02 121.76 117.19 3mly s ALA 93 Ca 0.40 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3mly s ALA 93 Cb -0.11 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3mly s ALA 93 CO 0.29 -0.69 0.08 0.50 0.00 0.00 0.00 175.76 175.95 3mly s ARG 94 N -3.74 3.20 0.23 0.00 3.52 -0.33 -1.11 118.95 120.72 3mly s ARG 94 Ca 0.02 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 3mly s ARG 94 Cb 0.01 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 3mly s ARG 94 CO -0.12 0.72 0.10 -0.51 -0.81 0.00 0.00 175.30 174.68 3mly s ASP 95 N -1.16 5.14 0.22 -2.12 -0.00 -0.46 -1.91 116.67 116.38 3mly s ASP 95 Ca 0.17 -0.36 -0.03 0.00 -0.00 0.00 0.00 52.55 52.32 3mly s ASP 95 Cb -0.12 -1.20 -0.03 0.00 -0.00 0.00 0.00 42.92 41.57 3mly s ASP 95 CO 0.06 0.01 0.23 0.72 -0.00 0.00 0.00 175.17 176.19 3mly s PHE 96 N -2.05 0.99 0.00 4.23 -0.12 -0.74 -4.61 117.98 115.69 3mly s PHE 96 Ca 0.31 -1.23 0.00 0.00 -0.05 0.00 0.00 56.93 55.96 3mly s PHE 96 Cb -0.08 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 3mly s PHE 96 CO 0.22 -0.75 0.00 0.41 -0.05 0.00 0.00 175.22 175.05 3mly n GLY 97 N -0.32 -0.52 3.10 1.99 0.00 -1.26 -1.29 105.19 106.88 3mly n GLY 97 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3mly n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mly s GLU 98 N -0.62 1.21 -0.18 1.61 2.56 -0.66 -4.93 118.70 117.69 3mly s GLU 98 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.97 54.46 3mly s GLU 98 Cb 0.00 -1.14 -0.00 0.00 2.00 0.00 0.00 34.13 34.98 3mly s GLU 98 CO 0.00 0.27 -0.10 -0.47 -0.56 0.00 0.00 175.26 174.39 3mly s TYR 99 N -0.20 2.87 -0.11 5.30 5.04 -1.26 -0.30 117.35 128.70 3mly s TYR 99 Ca 0.03 -0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 53.65 3mly s TYR 99 Cb -0.07 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 3mly s TYR 99 CO -0.00 -0.48 0.03 -1.01 -1.34 0.00 0.00 175.55 172.75 3mly s HIS 100 N 1.05 3.25 -2.03 4.97 3.76 0.28 -4.98 115.29 121.60 3mly s HIS 100 Ca -0.00 0.22 0.10 0.00 -0.15 0.00 0.00 55.06 55.22 3mly s HIS 100 Cb -0.15 -1.86 0.32 0.00 1.11 0.00 0.00 32.58 32.00 3mly s HIS 100 CO -0.02 0.46 1.25 0.66 -0.85 0.00 0.00 174.74 176.24 3mly n TYR 100 N 2.35 0.30 -1.46 1.40 4.02 -1.26 -2.85 117.16 119.66 3mly n TYR 100 Ca -0.19 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3mly n TYR 100 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 3mly n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3mly n ASP 100 N 0.19 0.00 0.17 7.72 5.68 -1.26 -4.97 116.55 124.08 3mly n ASP 100 Ca 0.09 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.52 3mly n ASP 100 Cb 0.21 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 40.78 3mly n ASP 100 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3mly h GLY 100 N 0.00 0.00 1.07 6.12 0.00 -2.05 -3.11 103.07 105.10 3mly h GLY 100 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3mly h GLY 100 CO 0.00 0.00 0.05 3.21 0.00 0.00 0.00 176.54 179.80 3mly h ARG 100 N 0.00 1.08 0.00 4.80 3.08 -1.93 -3.48 114.38 117.93 3mly h ARG 100 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3mly h ARG 100 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3mly h ARG 100 CO 0.00 1.03 0.00 0.41 -1.07 0.00 0.00 179.97 180.34 3mly n GLY 100 N -0.48 2.87 3.69 0.04 0.00 -1.13 -4.62 105.19 105.55 3mly n GLY 100 Ca 0.03 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3mly n GLY 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mly s PHE 100 N 0.00 3.51 -0.33 1.61 5.36 -1.26 -0.55 117.98 126.32 3mly s PHE 100 Ca 0.00 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.24 3mly s PHE 100 Cb 0.00 -2.98 0.02 0.00 -0.34 0.00 0.00 43.02 39.72 3mly s PHE 100 CO 0.00 -0.11 0.13 -0.65 -1.46 0.00 0.00 175.22 173.13 3mly s GLN 100 N 1.56 2.90 -0.41 10.12 -0.21 0.59 -4.99 119.66 129.22 3mly s GLN 100 Ca 0.41 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.51 3mly s GLN 100 Cb -0.18 -3.52 0.02 0.00 1.00 0.00 0.00 33.01 30.34 3mly s GLN 100 CO 0.17 -0.58 1.07 0.00 -2.12 0.00 0.00 175.29 173.83 3mly n GLU 100 N 7.30 0.53 -3.05 0.00 1.02 -0.41 -4.98 120.64 121.05 3mly n GLU 100 Ca 0.11 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3mly n GLU 100 Cb 0.48 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3mly n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mly n GLY 100 N 1.44 -1.17 2.70 0.62 0.00 -1.11 -4.99 105.19 102.68 3mly n GLY 100 Ca 0.02 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 3mly n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mly s PHE 100 N -2.01 0.48 -0.10 1.61 0.08 -1.26 -1.79 117.98 115.00 3mly s PHE 100 Ca 0.00 -0.27 0.12 0.00 0.12 0.00 0.00 56.93 56.91 3mly s PHE 100 Cb 0.00 -0.75 -0.24 0.00 -0.57 0.00 0.00 43.02 41.46 3mly s PHE 100 CO 0.00 -0.41 0.44 -0.40 -0.10 0.00 0.00 175.22 174.75 3mly n ASP 101 N 5.20 0.76 -4.28 1.36 5.75 -0.80 -4.88 116.55 119.65 3mly n ASP 101 Ca -0.07 0.26 -0.32 0.00 -0.01 0.00 0.00 54.79 54.66 3mly n ASP 101 Cb 0.49 0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.58 3mly n ASP 101 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3mly s LEU 102 N -6.01 2.20 0.05 -2.12 2.96 -1.25 -5.00 118.68 109.51 3mly s LEU 102 Ca -0.09 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 3mly s LEU 102 Cb 0.07 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 3mly s LEU 102 CO 0.81 0.21 -0.17 0.26 -1.32 0.00 0.00 176.35 176.15 3mly s TRP 103 N 0.02 1.49 0.83 5.38 0.52 -1.26 -1.19 118.94 124.73 3mly s TRP 103 Ca -0.08 -0.38 -0.14 0.00 0.02 0.00 0.00 56.10 55.52 3mly s TRP 103 Cb -0.15 -0.87 0.20 0.00 -1.15 0.00 0.00 33.47 31.50 3mly s TRP 103 CO 0.05 0.08 0.82 0.41 0.02 0.00 0.00 176.95 178.33 3mly n GLY 104 N 1.73 -2.35 0.08 0.98 0.00 -0.19 -4.64 105.19 100.80 3mly n GLY 104 Ca -0.18 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3mly n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3mly h GLN 105 N 0.00 0.00 0.00 1.61 4.20 -1.90 -3.46 115.11 115.56 3mly h GLN 105 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3mly h GLN 105 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3mly h GLN 105 CO 0.20 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 3mly n GLY 106 N 1.32 -0.32 2.94 3.46 0.00 -1.26 -5.03 105.19 106.31 3mly n GLY 106 Ca 0.04 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 3mly n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mly s THR 107 N -2.60 0.71 0.03 2.61 -1.32 -0.35 -4.91 115.64 109.81 3mly s THR 107 Ca 0.00 -0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 59.93 3mly s THR 107 Cb 0.00 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 3mly s THR 107 CO 0.00 0.25 1.12 -0.22 -2.21 0.00 0.00 174.62 173.56 3mly s LEU 108 N 0.70 4.36 -0.17 9.08 2.96 -1.26 -0.51 118.68 133.85 3mly s LEU 108 Ca -0.11 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 3mly s LEU 108 Cb -0.14 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3mly s LEU 108 CO 0.01 -0.40 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.78 3mly s VAL 109 N 1.13 2.44 -0.22 1.68 1.01 -0.17 -4.29 120.40 121.98 3mly s VAL 109 Ca 0.56 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3mly s VAL 109 Cb -0.26 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3mly s VAL 109 CO 0.28 0.52 -0.03 -0.89 0.00 0.00 0.00 175.10 174.98 3mly s THR 110 N 1.04 3.49 -0.47 3.92 2.01 0.15 -1.81 115.64 123.98 3mly s THR 110 Ca -0.01 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 3mly s THR 110 Cb -0.15 -2.59 0.04 0.00 0.01 0.00 0.00 72.50 69.82 3mly s THR 110 CO -0.05 0.42 0.57 -0.69 -0.69 0.00 0.00 174.62 174.18 3mly s VAL 111 N 1.44 4.94 -0.12 3.82 1.01 -1.26 -1.09 120.40 129.14 3mly s VAL 111 Ca 0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3mly s VAL 111 Cb -0.14 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.14 3mly s VAL 111 CO -0.02 -0.66 0.91 -0.55 0.00 0.00 0.00 175.10 174.79 3mly s SER 112 N 2.33 -0.44 0.46 3.32 0.15 -0.53 -4.44 113.70 114.54 3mly s SER 112 Ca 0.15 0.45 0.30 0.00 0.70 0.00 0.00 55.95 57.55 3mly s SER 112 Cb -0.18 0.37 1.14 0.00 -1.71 0.00 0.00 66.02 65.64 3mly s SER 112 CO 0.13 -0.43 1.87 0.77 1.20 0.00 0.00 173.24 176.79 3mly h SER 113 N 2.62 0.00 -0.17 5.45 4.64 -1.94 -3.37 113.55 120.78 3mly h SER 113 Ca -0.21 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3mly h SER 113 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 3mly h SER 113 CO 0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.22 3mly n ALA 114 N -2.00 -0.06 -1.79 5.18 0.00 -1.26 -4.98 120.51 115.60 3mly n ALA 114 Ca 0.02 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3mly n ALA 114 Cb 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 3mly n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mly s SER 115 N -2.27 6.44 -0.07 0.00 0.01 -1.26 -4.95 113.70 111.60 3mly s SER 115 Ca 0.00 2.84 -0.30 0.00 1.31 0.00 0.00 55.95 59.80 3mly s SER 115 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 3mly s SER 115 CO 0.00 -0.90 1.21 -0.89 0.41 0.00 0.00 173.24 173.07 3mly s THR 116 N 0.56 4.26 -0.06 1.44 2.01 -1.26 -4.68 115.64 117.91 3mly s THR 116 Ca 0.68 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 64.25 3mly s THR 116 Cb -0.47 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.05 3mly s THR 116 CO 0.40 -0.02 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.55 3mly s LYS 117 N 2.34 0.62 0.53 4.92 2.20 0.19 -4.97 119.74 125.58 3mly s LYS 117 Ca 0.56 0.06 -0.17 0.00 -0.36 0.00 0.00 55.97 56.05 3mly s LYS 117 Cb -0.24 -0.88 -0.07 0.00 -1.51 0.00 0.00 37.83 35.13 3mly s LYS 117 CO 0.21 -0.23 1.02 0.20 -0.36 0.00 0.00 175.35 176.19 3mly s GLY 118 N 1.62 2.21 0.53 5.54 0.00 -1.26 -1.21 107.32 114.76 3mly s GLY 118 Ca -0.00 0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.93 3mly s GLY 118 CO -0.04 0.68 1.01 2.56 0.00 0.00 0.00 173.10 177.31 3mly s PRO 119 N -3.81 3.78 0.26 2.90 0.04 -1.26 -4.63 135.00 132.27 3mly s PRO 119 Ca 0.63 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 3mly s PRO 119 Cb -0.14 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3mly s PRO 119 CO 0.30 -0.42 0.75 -1.12 0.04 0.00 0.00 177.00 176.55 3mly s SER 120 N -2.95 7.01 -0.17 6.66 0.01 -0.36 -4.87 113.70 119.03 3mly s SER 120 Ca 0.60 1.42 0.01 0.00 1.31 0.00 0.00 55.95 59.30 3mly s SER 120 Cb -0.12 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.71 3mly s SER 120 CO 0.32 -0.04 -0.17 -0.69 0.41 0.00 0.00 173.24 173.07 3mly s VAL 121 N -1.65 1.84 -0.08 3.43 1.01 -1.26 -0.12 120.40 123.57 3mly s VAL 121 Ca 0.46 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3mly s VAL 121 Cb -0.15 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3mly s VAL 121 CO 0.20 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.29 3mly s PHE 122 N 1.37 2.74 0.23 5.22 0.08 0.01 -4.96 117.98 122.66 3mly s PHE 122 Ca 0.05 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 3mly s PHE 122 Cb -0.13 -1.72 -0.09 0.00 -0.57 0.00 0.00 43.02 40.51 3mly s PHE 122 CO -0.12 0.01 0.98 -1.25 -0.10 0.00 0.00 175.22 174.75 3mly s PRO 123 N -0.26 4.78 -0.58 0.24 0.04 -1.26 -0.50 135.00 137.46 3mly s PRO 123 Ca 0.02 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.54 3mly s PRO 123 Cb -0.13 -3.28 0.15 0.00 0.04 0.00 0.00 34.50 31.28 3mly s PRO 123 CO 0.03 0.39 0.44 -0.51 0.04 0.00 0.00 177.00 177.39 3mly s LEU 124 N -1.01 5.71 0.48 -3.56 1.43 0.88 -4.88 118.68 117.73 3mly s LEU 124 Ca 0.43 -2.36 -0.23 0.00 -1.03 0.00 0.00 54.13 50.94 3mly s LEU 124 Cb -0.27 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 3mly s LEU 124 CO 0.34 -0.56 1.25 0.00 0.23 0.00 0.00 176.35 177.61 3mly s ALA 125 N 0.68 2.98 0.38 4.21 0.00 -1.26 -1.07 121.76 127.68 3mly s ALA 125 Ca 0.12 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 3mly s ALA 125 Cb -0.21 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 3mly s ALA 125 CO -0.03 -0.92 1.37 -1.25 0.00 0.00 0.00 175.76 174.93 3mly s PRO 126 N -2.67 4.10 0.64 0.00 0.04 -1.25 -4.86 135.00 130.99 3mly s PRO 126 Ca 0.65 2.33 -0.16 0.00 0.04 0.00 0.00 61.00 63.86 3mly s PRO 126 Cb -0.34 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3mly s PRO 126 CO 0.42 -0.45 1.11 -1.54 0.04 0.00 0.00 177.00 176.58 3mly s SER 127 N -0.46 5.20 0.03 6.66 1.04 -1.26 -4.40 113.70 120.50 3mly s SER 127 Ca 0.54 2.03 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 3mly s SER 127 Cb -0.42 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.08 3mly s SER 127 CO 0.55 -1.57 1.49 -0.94 0.98 0.00 0.00 173.24 173.75 3mly s SER 128 N -2.45 6.76 -0.08 7.02 1.04 -1.26 -4.99 113.70 119.74 3mly s SER 128 Ca 0.68 2.25 -0.03 0.00 0.48 0.00 0.00 55.95 59.32 3mly s SER 128 Cb -0.21 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.39 3mly s SER 128 CO 0.39 -0.78 0.17 -0.54 0.98 0.00 0.00 173.24 173.47 3mly s LYS 129 N 2.45 0.10 0.00 4.02 1.02 -1.26 -5.17 119.74 120.91 3mly s LYS 129 Ca 0.67 0.45 0.00 0.00 0.02 0.00 0.00 55.97 57.11 3mly s LYS 129 Cb -0.34 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 3mly s LYS 129 CO 0.28 -0.19 0.00 -1.13 -0.92 0.00 0.00 175.35 173.39 3mly n SER 130 N 4.44 0.47 -3.14 2.83 3.41 -1.26 -4.29 113.62 116.07 3mly n SER 130 Ca -0.22 -0.96 -0.05 0.00 -0.26 0.00 0.00 58.87 57.38 3mly n SER 130 Cb 0.51 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.48 3mly n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3mly n THR 131 N -0.74 -9.65 0.00 6.66 -1.04 -1.26 -2.14 114.28 106.11 3mly n THR 131 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 3mly n THR 131 Cb 0.00 -6.66 0.00 0.00 -1.82 0.00 0.00 70.33 61.85 3mly n THR 131 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3mly n SER 132 N -2.14 0.00 0.00 8.00 3.41 -1.26 -4.14 113.62 117.50 3mly n SER 132 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3mly n SER 132 Cb 0.53 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3mly n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mly n GLY 133 N -1.22 2.78 7.00 5.00 0.00 -0.91 -4.56 105.19 113.28 3mly n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mly n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mly n GLY 134 N -1.94 3.86 3.93 -0.02 0.00 -1.26 -4.59 105.19 105.18 3mly n GLY 134 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3mly n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mly s THR 135 N 0.00 5.21 0.01 2.61 2.01 -1.26 -1.56 115.64 122.67 3mly s THR 135 Ca 0.00 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.60 3mly s THR 135 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3mly s THR 135 CO 0.00 -0.21 -0.20 0.00 -0.69 0.00 0.00 174.62 173.51 3mly s ALA 136 N -1.91 1.71 -0.20 7.40 0.00 0.65 -4.78 121.76 124.63 3mly s ALA 136 Ca 0.38 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3mly s ALA 136 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3mly s ALA 136 CO 0.30 0.40 -0.03 0.00 0.00 0.00 0.00 175.76 176.43 3mly s ALA 137 N -0.61 2.89 0.12 0.00 0.00 -1.26 -0.52 121.76 122.38 3mly s ALA 137 Ca 0.08 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.08 3mly s ALA 137 Cb -0.08 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3mly s ALA 137 CO 0.00 -0.20 -0.21 -0.51 0.00 0.00 0.00 175.76 174.85 3mly s LEU 138 N 1.08 2.34 0.32 0.00 1.02 -0.57 -3.89 118.68 118.99 3mly s LEU 138 Ca 0.01 -0.74 -0.05 0.00 0.02 0.00 0.00 54.13 53.37 3mly s LEU 138 Cb -0.15 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.16 3mly s LEU 138 CO 0.00 0.05 0.48 -0.83 0.02 0.00 0.00 176.35 176.08 3mly s GLY 139 N -2.13 1.24 -0.03 -3.19 0.00 -0.23 -0.35 107.32 102.63 3mly s GLY 139 Ca 0.10 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3mly s GLY 139 CO 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 173.10 172.20 3mly s LEU 141 N 0.53 4.06 -0.48 0.00 2.96 0.35 -1.45 118.68 124.64 3mly s LEU 141 Ca -0.06 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3mly s LEU 141 Cb -0.10 -2.12 0.12 0.00 0.50 0.00 0.00 46.19 44.59 3mly s LEU 141 CO -0.00 -0.01 0.34 -0.69 -1.32 0.00 0.00 176.35 174.67 3mly s VAL 142 N 1.49 4.06 -0.18 1.68 1.01 0.13 -0.81 120.40 127.77 3mly s VAL 142 Ca 0.07 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.08 3mly s VAL 142 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3mly s VAL 142 CO 0.08 -0.77 0.03 -0.75 0.00 0.00 0.00 175.10 173.69 3mly s LYS 143 N 1.22 3.86 -0.70 2.72 2.47 0.83 -1.14 119.74 128.99 3mly s LYS 143 Ca 0.07 -0.41 -0.03 0.00 -1.56 0.00 0.00 55.97 54.04 3mly s LYS 143 Cb -0.25 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 3mly s LYS 143 CO -0.02 0.22 0.63 -0.25 0.16 0.00 0.00 175.35 176.10 3mly n ASP 144 N 3.66 -5.86 -4.43 1.43 8.00 -0.35 -1.23 116.55 117.77 3mly n ASP 144 Ca -0.17 -0.35 -0.22 0.00 0.71 0.00 0.00 54.79 54.76 3mly n ASP 144 Cb 0.52 -4.15 -0.10 0.00 -0.02 0.00 0.00 41.12 37.38 3mly n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mly s TYR 145 N -3.18 2.08 -0.28 1.24 -0.85 -0.10 -4.36 117.35 111.91 3mly s TYR 145 Ca 0.21 -0.45 -0.22 0.00 -0.52 0.00 0.00 57.07 56.10 3mly s TYR 145 Cb -0.03 -0.96 0.08 0.00 0.38 0.00 0.00 41.96 41.43 3mly s TYR 145 CO 0.56 0.56 0.77 0.12 -1.52 0.00 0.00 175.55 176.04 3mly s PHE 146 N -2.71 -0.82 0.27 -3.49 2.19 -0.35 -0.89 117.98 112.19 3mly s PHE 146 Ca 0.28 1.85 0.00 0.00 0.33 0.00 0.00 56.93 59.38 3mly s PHE 146 Cb -0.02 0.39 0.05 0.00 -1.31 0.00 0.00 43.02 42.13 3mly s PHE 146 CO 0.12 -0.40 0.37 -0.35 1.83 0.00 0.00 175.22 176.80 3mly n PRO 147 N 3.14 0.36 -1.32 10.12 -0.04 -1.26 -0.64 135.00 145.37 3mly n PRO 147 Ca -0.16 -1.02 -0.33 0.00 -0.04 0.00 0.00 63.50 61.96 3mly n PRO 147 Cb 0.56 -0.24 0.10 0.00 -0.04 0.00 0.00 33.50 33.88 3mly n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mly s GLU 148 N -3.38 2.07 0.50 0.54 0.41 -1.26 -4.79 118.70 112.79 3mly s GLU 148 Ca 0.25 1.51 0.06 0.00 -0.41 0.00 0.00 54.97 56.38 3mly s GLU 148 Cb -0.01 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.50 3mly s GLU 148 CO 0.16 -1.83 0.35 -1.25 -0.49 0.00 0.00 175.26 172.20 3mly s PRO 149 N -4.30 2.30 0.05 0.39 0.04 -1.26 -4.98 135.00 127.24 3mly s PRO 149 Ca 0.68 -1.91 0.06 0.00 0.04 0.00 0.00 61.00 59.88 3mly s PRO 149 Cb -0.23 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3mly s PRO 149 CO 0.49 -0.45 -0.18 0.08 0.04 0.00 0.00 177.00 176.98 3mly s VAL 150 N -2.69 1.43 0.07 -0.36 1.01 -1.26 -4.33 120.40 114.27 3mly s VAL 150 Ca 0.37 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3mly s VAL 150 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3mly s VAL 150 CO 0.22 0.09 -0.10 0.42 0.00 0.00 0.00 175.10 175.72 3mly s THR 151 N -0.87 3.34 -0.03 3.92 -4.23 -0.63 -4.99 115.64 112.16 3mly s THR 151 Ca 0.05 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 3mly s THR 151 Cb -0.09 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3mly s THR 151 CO 0.02 0.22 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.59 3mly s VAL 152 N -1.12 0.39 0.36 2.29 1.01 -1.26 -1.38 120.40 120.69 3mly s VAL 152 Ca 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3mly s VAL 152 Cb -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 3mly s VAL 152 CO 0.11 0.17 0.06 -0.94 0.00 0.00 0.00 175.10 174.50 3mly s SER 153 N 0.71 2.74 -0.06 3.32 1.04 -0.43 -4.96 113.70 116.06 3mly s SER 153 Ca -0.08 -1.43 0.04 0.00 0.48 0.00 0.00 55.95 54.95 3mly s SER 153 Cb -0.12 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3mly s SER 153 CO -0.00 -0.64 -0.18 0.26 0.98 0.00 0.00 173.24 173.65 3mly s TRP 154 N -3.18 1.88 -1.51 5.02 0.52 -1.26 -0.55 118.94 119.87 3mly s TRP 154 Ca 0.33 -0.62 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 3mly s TRP 154 Cb 0.08 -1.28 0.07 0.00 -1.15 0.00 0.00 33.47 31.19 3mly s TRP 154 CO 0.15 -0.24 0.83 0.09 0.02 0.00 0.00 176.95 177.80 3mly n ASN 155 N 3.33 -3.32 -1.69 2.95 4.13 -0.13 -1.29 115.26 119.26 3mly n ASN 155 Ca -0.19 -0.85 -0.19 0.00 1.68 0.00 0.00 54.58 55.02 3mly n ASN 155 Cb 0.53 -3.62 -0.06 0.00 -1.54 0.00 0.00 39.78 35.08 3mly n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mly n SER 156 N -2.86 -5.34 0.00 6.41 7.64 -1.26 -1.74 113.62 116.45 3mly n SER 156 Ca -0.06 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3mly n SER 156 Cb 0.57 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 3mly n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mly n GLY 157 N -0.77 0.50 0.24 0.23 0.00 -0.41 -4.93 105.19 100.06 3mly n GLY 157 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3mly n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mly h ALA 158 N 0.00 0.98 -3.50 4.61 0.00 -1.29 -3.41 119.26 116.66 3mly h ALA 158 Ca 0.00 -0.07 -0.68 0.00 0.00 0.00 0.00 54.91 54.15 3mly h ALA 158 Cb 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.45 3mly h ALA 158 CO 0.00 0.10 -0.70 -1.17 0.00 0.00 0.00 179.25 177.48 3mly s LEU 159 N -6.32 3.95 0.00 0.00 2.96 -1.16 -4.89 118.68 113.22 3mly s LEU 159 Ca 0.03 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 3mly s LEU 159 Cb 0.08 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3mly s LEU 159 CO 0.62 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.73 3mly n THR 160 N 4.62 0.00 -1.73 3.68 -2.24 -1.26 -4.34 114.28 113.01 3mly n THR 160 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3mly n THR 160 Cb 0.43 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 3mly n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mly s SER 161 N -3.04 6.45 0.00 3.42 0.15 -1.26 -2.25 113.70 117.17 3mly s SER 161 Ca 0.00 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.35 3mly s SER 161 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3mly s SER 161 CO 0.00 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.04 3mly n GLY 162 N 4.30 0.65 3.78 9.45 0.00 -1.26 -4.73 105.19 117.39 3mly n GLY 162 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3mly n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mly s VAL 163 N -2.44 4.67 -0.19 1.61 1.01 -0.95 -1.26 120.40 122.84 3mly s VAL 163 Ca 0.00 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 3mly s VAL 163 Cb 0.00 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3mly s VAL 163 CO 0.00 0.48 0.22 -2.28 0.00 0.00 0.00 175.10 173.52 3mly s HIS 164 N -0.72 -0.26 -0.19 5.22 2.46 0.15 -5.00 115.29 116.95 3mly s HIS 164 Ca 0.33 0.26 -0.08 0.00 0.47 0.00 0.00 55.06 56.05 3mly s HIS 164 Cb -0.20 -0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 31.85 3mly s HIS 164 CO 0.21 -0.57 0.07 0.99 -2.47 0.00 0.00 174.74 172.98 3mly s THR 165 N 2.32 4.80 0.03 0.89 2.01 -1.26 -1.04 115.64 123.39 3mly s THR 165 Ca 0.06 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 3mly s THR 165 Cb -0.15 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 3mly s THR 165 CO -0.11 0.44 0.25 -0.36 -0.69 0.00 0.00 174.62 174.15 3mly s PHE 166 N 0.50 3.54 0.67 4.92 0.40 -0.39 -5.01 117.98 122.62 3mly s PHE 166 Ca 0.04 0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 56.65 3mly s PHE 166 Cb -0.13 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 3mly s PHE 166 CO 0.01 0.59 1.07 -2.30 0.70 0.00 0.00 175.22 175.29 3mly n PRO 167 N 0.76 0.77 -2.17 0.24 -0.02 -1.26 -4.36 135.00 128.95 3mly n PRO 167 Ca -0.09 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 3mly n PRO 167 Cb 0.52 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3mly n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mly s ALA 168 N -1.62 2.79 -0.04 3.55 0.00 -1.26 -4.78 121.76 120.39 3mly s ALA 168 Ca 0.77 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 3mly s ALA 168 Cb -0.37 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3mly s ALA 168 CO 0.46 -0.67 0.34 0.54 0.00 0.00 0.00 175.76 176.44 3mly s VAL 169 N -2.36 5.16 -0.34 0.00 0.11 -0.03 -4.95 120.40 117.98 3mly s VAL 169 Ca 0.64 0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 60.23 3mly s VAL 169 Cb -0.16 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 3mly s VAL 169 CO 0.33 0.57 0.29 -0.22 -3.33 0.00 0.00 175.10 172.74 3mly s LEU 170 N -0.89 4.52 0.55 2.54 2.96 -1.26 -2.01 118.68 125.08 3mly s LEU 170 Ca 0.21 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3mly s LEU 170 Cb -0.15 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.32 3mly s LEU 170 CO 0.10 -0.29 0.83 -1.10 -1.32 0.00 0.00 176.35 174.58 3mly s GLN 171 N 1.84 2.95 0.15 1.98 -0.21 -0.39 -4.96 119.66 121.02 3mly s GLN 171 Ca 0.08 -0.17 0.15 0.00 0.02 0.00 0.00 55.36 55.45 3mly s GLN 171 Cb -0.17 -2.36 0.71 0.00 1.00 0.00 0.00 33.01 32.19 3mly s GLN 171 CO 0.11 -0.58 1.48 -1.13 -2.12 0.00 0.00 175.29 173.05 3mly n SER 172 N -2.43 0.32 0.00 5.90 3.41 -1.26 -0.82 113.62 118.75 3mly n SER 172 Ca 0.04 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.40 3mly n SER 172 Cb 0.58 -0.67 0.66 0.00 -0.26 0.00 0.00 64.21 64.52 3mly n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mly n SER 173 N -1.89 0.00 0.00 4.04 3.41 -1.26 -4.63 113.62 113.29 3mly n SER 173 Ca 0.01 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3mly n SER 173 Cb 0.12 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3mly n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mly n GLY 174 N 1.35 1.14 3.85 5.00 0.00 0.00 -5.03 105.19 111.50 3mly n GLY 174 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3mly n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mly s LEU 175 N 0.00 3.96 0.20 0.99 1.43 -1.26 -4.86 118.68 119.14 3mly s LEU 175 Ca 0.00 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3mly s LEU 175 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 3mly s LEU 175 CO 0.00 0.02 0.40 -0.31 0.23 0.00 0.00 176.35 176.69 3mly s TYR 176 N -1.89 3.48 0.01 0.29 1.51 -0.07 -1.27 117.35 119.43 3mly s TYR 176 Ca 0.32 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.74 3mly s TYR 176 Cb -0.09 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3mly s TYR 176 CO 0.25 0.37 -0.00 -1.12 -1.11 0.00 0.00 175.55 173.95 3mly s SER 177 N -3.13 0.18 0.19 2.29 0.01 -0.85 -0.93 113.70 111.47 3mly s SER 177 Ca 0.39 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 3mly s SER 177 Cb -0.11 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 3mly s SER 177 CO 0.29 -0.28 0.24 -1.48 0.41 0.00 0.00 173.24 172.42 3mly s LEU 178 N -1.31 1.01 0.09 2.44 0.05 -0.29 -0.85 118.68 119.82 3mly s LEU 178 Ca -0.14 -1.10 0.04 0.00 0.05 0.00 0.00 54.13 52.97 3mly s LEU 178 Cb -0.09 0.92 -0.03 0.00 -2.05 0.00 0.00 46.19 44.94 3mly s LEU 178 CO -0.01 -0.90 -0.10 -0.44 -0.55 0.00 0.00 176.35 174.35 3mly s SER 179 N -3.05 1.42 0.00 1.48 0.01 -1.26 0.18 113.70 112.48 3mly s SER 179 Ca 0.26 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.78 3mly s SER 179 Cb 0.04 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 3mly s SER 179 CO 0.06 -0.25 -0.11 -0.55 0.41 0.00 0.00 173.24 172.81 3mly s SER 180 N -2.33 1.26 0.02 2.44 0.15 -0.53 -1.27 113.70 113.45 3mly s SER 180 Ca 0.04 -0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.47 3mly s SER 180 Cb -0.04 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3mly s SER 180 CO 0.00 0.09 -0.11 -0.69 1.20 0.00 0.00 173.24 173.74 3mly s VAL 181 N -0.41 0.82 -0.03 4.45 1.01 -0.21 -0.61 120.40 125.43 3mly s VAL 181 Ca 0.03 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3mly s VAL 181 Cb -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3mly s VAL 181 CO -0.00 -0.02 -0.18 0.54 0.00 0.00 0.00 175.10 175.44 3mly s VAL 182 N -0.73 1.47 -0.21 2.92 0.11 0.52 -0.67 120.40 123.81 3mly s VAL 182 Ca -0.00 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.19 3mly s VAL 182 Cb -0.07 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 3mly s VAL 182 CO 0.01 0.42 0.10 0.42 -3.33 0.00 0.00 175.10 172.72 3mly s THR 183 N -0.25 5.01 0.13 5.04 -4.23 -0.39 -1.51 115.64 119.44 3mly s THR 183 Ca 0.03 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 3mly s THR 183 Cb -0.09 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 3mly s THR 183 CO 0.00 0.41 -0.05 0.68 -0.54 0.00 0.00 174.62 175.13 3mly s VAL 184 N 0.69 0.72 0.35 2.29 -7.23 0.32 -4.62 120.40 112.91 3mly s VAL 184 Ca 0.05 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 3mly s VAL 184 Cb -0.13 -1.84 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3mly s VAL 184 CO 0.01 -0.73 1.25 -2.16 -0.31 0.00 0.00 175.10 173.16 3mly s PRO 185 N -3.85 4.28 0.38 4.82 0.04 -1.26 -0.26 135.00 139.15 3mly s PRO 185 Ca 0.16 2.07 0.18 0.00 0.04 0.00 0.00 61.00 63.45 3mly s PRO 185 Cb 0.05 -2.96 0.73 0.00 0.04 0.00 0.00 34.50 32.36 3mly s PRO 185 CO -0.01 -0.20 1.76 0.77 0.04 0.00 0.00 177.00 179.36 3mly h SER 186 N 3.19 0.00 -0.46 6.66 0.02 -1.57 -3.31 113.55 118.09 3mly h SER 186 Ca -0.49 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.53 3mly h SER 186 Cb 1.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 3mly h SER 186 CO 0.65 0.37 0.31 0.77 -1.14 0.00 0.00 176.83 177.79 3mly h SER 187 N 0.00 0.30 -0.34 3.07 4.64 -1.80 -2.55 113.55 116.87 3mly h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mly h SER 187 Cb 0.83 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3mly h SER 187 CO 0.05 0.20 0.00 -1.54 -0.87 0.00 0.00 176.83 174.67 3mly n SER 188 N -4.47 4.24 0.31 4.97 3.41 -1.24 -4.56 113.62 116.27 3mly n SER 188 Ca 0.06 -2.95 0.19 0.00 -0.26 0.00 0.00 58.87 55.92 3mly n SER 188 Cb 0.28 -0.56 1.04 0.00 -0.26 0.00 0.00 64.21 64.70 3mly n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mly h LEU 189 N 2.31 0.00 0.00 1.04 3.38 -1.63 0.82 115.31 121.23 3mly h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mly h LEU 189 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3mly h LEU 189 CO 0.27 0.02 -1.17 0.61 0.09 0.00 0.00 178.44 178.25 3mly n GLY 190 N -0.96 -1.35 0.09 0.83 0.00 -1.26 -4.34 105.19 98.20 3mly n GLY 190 Ca -0.02 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3mly n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mly n THR 191 N -2.49 0.00 -4.79 2.61 -2.24 -0.60 -4.94 114.28 101.82 3mly n THR 191 Ca -0.00 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 3mly n THR 191 Cb 0.53 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.65 3mly n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mly s GLN 192 N -1.88 2.71 0.06 -0.78 2.00 0.18 -5.11 119.66 116.84 3mly s GLN 192 Ca 0.06 -0.75 -0.21 0.00 -2.00 0.00 0.00 55.36 52.46 3mly s GLN 192 Cb 0.09 -2.16 -0.06 0.00 0.80 0.00 0.00 33.01 31.67 3mly s GLN 192 CO 0.41 0.04 0.63 0.99 -0.50 0.00 0.00 175.29 176.86 3mly s THR 193 N 0.69 4.74 -0.15 -0.34 2.01 -1.26 -4.77 115.64 116.55 3mly s THR 193 Ca -0.12 1.34 -0.00 0.00 0.31 0.00 0.00 61.69 63.22 3mly s THR 193 Cb -0.16 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3mly s THR 193 CO 0.02 0.49 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.00 3mly s TYR 194 N -0.71 2.81 -0.07 4.92 1.51 -1.26 -4.96 117.35 119.59 3mly s TYR 194 Ca 0.32 -0.87 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3mly s TYR 194 Cb -0.20 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 3mly s TYR 194 CO 0.20 -0.37 -0.14 0.42 -1.11 0.00 0.00 175.55 174.54 3mly s ILE 195 N 0.69 1.28 -0.23 2.71 -1.09 -1.26 -1.34 121.20 121.96 3mly s ILE 195 Ca -0.06 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 3mly s ILE 195 Cb -0.15 -1.15 -0.05 0.00 -1.58 0.00 0.00 42.46 39.53 3mly s ILE 195 CO 0.02 0.39 0.20 0.00 -1.23 0.00 0.00 174.94 174.31 3mly s ASN 197 N 1.00 6.07 -0.12 0.00 0.01 0.29 -1.10 114.94 121.08 3mly s ASN 197 Ca 0.09 -1.01 -0.05 0.00 -0.71 0.00 0.00 52.86 51.19 3mly s ASN 197 Cb -0.13 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 3mly s ASN 197 CO 0.05 -0.49 0.04 -0.69 -1.51 0.00 0.00 177.10 174.50 3mly s VAL 198 N 1.65 4.66 -0.10 1.60 1.01 0.37 -1.31 120.40 128.28 3mly s VAL 198 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3mly s VAL 198 Cb -0.20 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3mly s VAL 198 CO 0.09 0.56 -0.01 0.21 0.00 0.00 0.00 175.10 175.95 3mly s ASN 199 N -0.49 1.92 -0.55 3.32 3.84 -0.48 -1.62 114.94 120.88 3mly s ASN 199 Ca 0.10 -0.25 -0.09 0.00 0.21 0.00 0.00 52.86 52.83 3mly s ASN 199 Cb -0.12 -0.54 0.14 0.00 -0.55 0.00 0.00 41.25 40.19 3mly s ASN 199 CO 0.02 -0.20 0.42 -2.28 -2.79 0.00 0.00 177.10 172.27 3mly s HIS 200 N 1.91 3.47 0.24 0.43 5.65 -0.06 -1.60 115.29 125.34 3mly s HIS 200 Ca 0.04 -2.05 -0.06 0.00 0.25 0.00 0.00 55.06 53.23 3mly s HIS 200 Cb -0.13 -3.49 0.27 0.00 -1.18 0.00 0.00 32.58 28.05 3mly s HIS 200 CO -0.06 -0.97 1.91 0.87 -0.65 0.00 0.00 174.74 175.84 3mly h LYS 201 N 8.09 1.21 -0.95 2.88 1.57 -1.83 -2.03 116.57 125.50 3mly h LYS 201 Ca -0.13 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.73 3mly h LYS 201 Cb 1.05 -0.27 -0.08 0.00 0.08 0.00 0.00 32.23 33.00 3mly h LYS 201 CO 0.82 0.80 0.60 -1.35 -0.57 0.00 0.00 179.45 179.75 3mly h PRO 202 N 1.24 0.75 -0.18 3.15 0.11 -1.92 -1.27 132.00 133.89 3mly h PRO 202 Ca 0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3mly h PRO 202 Cb -0.08 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.87 3mly h PRO 202 CO -0.10 0.49 0.00 -1.13 -0.21 0.00 0.00 178.00 177.06 3mly n SER 203 N -4.62 3.10 -2.45 -2.05 3.41 -1.10 -4.95 113.62 104.95 3mly n SER 203 Ca 0.19 -1.95 -0.17 0.00 -0.26 0.00 0.00 58.87 56.68 3mly n SER 203 Cb 0.48 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3mly n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mly n ASN 204 N 1.33 -5.02 -4.60 4.04 5.03 -0.48 -4.93 115.26 110.64 3mly n ASN 204 Ca 0.15 0.06 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 3mly n ASN 204 Cb 0.57 -4.20 -0.05 0.00 -1.02 0.00 0.00 39.78 35.08 3mly n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3mly s THR 205 N -2.86 4.71 -0.12 3.41 2.01 -0.91 -4.97 115.64 116.91 3mly s THR 205 Ca 0.02 1.06 0.03 0.00 0.31 0.00 0.00 61.69 63.10 3mly s THR 205 Cb -0.01 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.28 3mly s THR 205 CO 0.02 -0.41 -0.20 -0.54 -0.69 0.00 0.00 174.62 172.80 3mly s LYS 206 N 3.17 2.78 -0.03 4.92 1.02 -1.26 -0.88 119.74 129.46 3mly s LYS 206 Ca 0.34 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3mly s LYS 206 Cb -0.13 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 3mly s LYS 206 CO 0.16 0.00 -0.10 0.08 -0.92 0.00 0.00 175.35 174.57 3mly s VAL 207 N 0.78 0.90 -0.42 3.17 1.01 -0.64 -5.00 120.40 120.21 3mly s VAL 207 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3mly s VAL 207 Cb -0.16 -0.80 0.11 0.00 0.00 0.00 0.00 36.38 35.53 3mly s VAL 207 CO 0.00 0.28 0.20 -1.81 0.00 0.00 0.00 175.10 173.77 3mly s ASP 208 N 0.21 5.14 -0.28 3.32 1.01 -1.26 -0.48 116.67 124.33 3mly s ASP 208 Ca -0.04 -2.15 -0.11 0.00 0.71 0.00 0.00 52.55 50.96 3mly s ASP 208 Cb -0.10 -1.79 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 3mly s ASP 208 CO 0.01 -0.49 0.18 -0.75 0.21 0.00 0.00 175.17 174.33 3mly s LYS 209 N 0.95 3.92 0.13 8.23 2.47 -0.26 -4.89 119.74 130.29 3mly s LYS 209 Ca 0.10 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 53.87 3mly s LYS 209 Cb -0.22 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.46 3mly s LYS 209 CO -0.05 -0.18 1.12 0.21 0.16 0.00 0.00 175.35 176.61 3mly s LYS 210 N 1.74 4.54 -0.20 4.03 2.20 -1.26 -0.90 119.74 129.89 3mly s LYS 210 Ca 0.07 1.71 0.01 0.00 -0.36 0.00 0.00 55.97 57.40 3mly s LYS 210 Cb -0.16 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3mly s LYS 210 CO 0.10 -0.03 -0.17 0.08 -0.36 0.00 0.00 175.35 174.98 3mly s VAL 211 N 0.22 2.26 0.08 4.02 1.01 -0.45 -4.82 120.40 122.73 3mly s VAL 211 Ca 0.52 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3mly s VAL 211 Cb -0.29 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3mly s VAL 211 CO 0.33 0.45 -0.07 -1.83 0.00 0.00 0.00 175.10 173.98 3mly s GLU 212 N 1.29 0.76 0.46 2.72 -1.05 -1.26 -4.36 118.70 117.26 3mly s GLU 212 Ca 0.03 -1.22 -0.25 0.00 -0.15 0.00 0.00 54.97 53.38 3mly s GLU 212 Cb -0.14 -0.19 -0.08 0.00 -0.44 0.00 0.00 34.13 33.28 3mly s GLU 212 CO -0.11 -0.01 1.44 -0.35 0.95 0.00 0.00 175.26 177.18 3mly n PRO 213 N 0.25 2.26 0.00 -4.83 -0.04 -1.26 -4.43 135.00 126.95 3mly n PRO 213 Ca -0.14 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3mly n PRO 213 Cb 0.60 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3mly n PRO 213 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mly n LYS 214 N -0.24 3.41 -1.32 0.54 5.02 -1.26 -5.00 118.16 119.31 3mly n LYS 214 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3mly n LYS 214 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 3mly n LYS 214 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3mly n SER 215 N 0.00 -6.96 -0.90 4.39 2.88 -1.26 -4.98 113.62 106.78 3mly n SER 215 Ca 0.00 0.91 0.11 0.00 -1.33 0.00 0.00 58.87 58.56 3mly n SER 215 Cb 0.00 -3.21 0.09 0.00 -0.75 0.00 0.00 64.21 60.34 3mly n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81