#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifn s VAL 2 N 0.00 4.57 0.02 5.09 1.01 -1.26 -3.28 120.40 126.56 3ifn s VAL 2 Ca 0.00 1.88 0.01 0.00 0.00 0.00 0.00 61.98 63.86 3ifn s VAL 2 Cb 0.00 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3ifn s VAL 2 CO 0.00 -0.08 -0.04 0.42 0.00 0.00 0.00 175.10 175.40 3ifn s THR 3 N 2.66 0.22 -0.02 3.92 -4.23 -0.49 -4.98 115.64 112.72 3ifn s THR 3 Ca 0.49 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 3ifn s THR 3 Cb -0.19 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 3ifn s THR 3 CO 0.14 -0.39 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.94 3ifn s LEU 4 N -1.28 1.96 -0.20 4.79 1.02 -1.26 -1.54 118.68 122.17 3ifn s LEU 4 Ca -0.12 -0.25 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 3ifn s LEU 4 Cb -0.09 -0.71 0.06 0.00 0.02 0.00 0.00 46.19 45.48 3ifn s LEU 4 CO -0.01 0.14 0.05 -0.75 0.02 0.00 0.00 176.35 175.81 3ifn s LYS 5 N -0.16 0.54 0.25 1.70 2.20 0.23 -4.22 119.74 120.28 3ifn s LYS 5 Ca 0.02 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.00 3ifn s LYS 5 Cb -0.07 -2.03 -0.09 0.00 -1.51 0.00 0.00 37.83 34.13 3ifn s LYS 5 CO 0.00 -0.68 0.83 -1.21 -0.36 0.00 0.00 175.35 173.93 3ifn s GLU 6 N 1.90 4.45 0.05 4.03 8.01 -1.26 -1.06 118.70 134.83 3ifn s GLU 6 Ca 0.00 1.12 0.01 0.00 0.01 0.00 0.00 54.97 56.11 3ifn s GLU 6 Cb -0.17 -2.92 -0.03 0.00 -4.31 0.00 0.00 34.13 26.70 3ifn s GLU 6 CO -0.10 0.38 -0.05 -1.54 0.01 0.00 0.00 175.26 173.96 3ifn s SER 7 N -1.54 0.70 0.24 -0.19 1.04 0.13 -4.60 113.70 109.47 3ifn s SER 7 Ca 0.45 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 3ifn s SER 7 Cb -0.19 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.08 3ifn s SER 7 CO 0.23 -0.39 0.62 0.61 0.98 0.00 0.00 173.24 175.29 3ifn n GLY 8 N 0.78 1.12 0.04 7.32 0.00 -1.26 -1.61 105.19 111.57 3ifn n GLY 8 Ca -0.18 -1.15 0.14 0.00 0.00 0.00 0.00 46.02 44.82 3ifn n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ifn n PRO 9 N -0.43 0.37 0.00 1.61 -0.04 -1.26 -4.94 135.00 130.31 3ifn n PRO 9 Ca -0.05 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3ifn n PRO 9 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3ifn n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ifn n GLY 10 N 1.35 1.53 3.09 0.55 0.00 -1.26 -4.80 105.19 105.66 3ifn n GLY 10 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3ifn n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ifn s ILE 11 N 0.00 -0.00 0.06 -0.61 2.07 -1.26 -1.27 121.20 120.18 3ifn s ILE 11 Ca 0.00 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3ifn s ILE 11 Cb 0.00 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 3ifn s ILE 11 CO 0.00 0.01 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.23 3ifn s LEU 12 N 0.20 2.44 0.26 8.50 1.43 -0.45 -4.97 118.68 126.10 3ifn s LEU 12 Ca -0.01 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3ifn s LEU 12 Cb -0.02 0.07 -0.06 0.00 0.03 0.00 0.00 46.19 46.21 3ifn s LEU 12 CO -0.00 -0.48 0.55 -0.54 0.23 0.00 0.00 176.35 176.10 3ifn s LYS 13 N -3.34 3.69 0.29 1.70 1.02 -1.26 -1.45 119.74 120.38 3ifn s LYS 13 Ca 0.04 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 3ifn s LYS 13 Cb 0.03 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.55 3ifn s LYS 13 CO -0.06 0.25 1.09 -2.30 -0.92 0.00 0.00 175.35 173.41 3ifn n PRO 14 N -0.63 1.51 0.00 -1.68 -0.02 -1.26 -2.25 135.00 130.67 3ifn n PRO 14 Ca -0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3ifn n PRO 14 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3ifn n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ifn n SER 15 N 1.25 0.00 -4.79 2.55 3.41 0.12 -4.93 113.62 111.23 3ifn n SER 15 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.41 3ifn n SER 15 Cb 0.32 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3ifn n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ifn s GLN 16 N -0.59 1.61 -0.16 4.33 -0.21 -0.95 -3.95 119.66 119.74 3ifn s GLN 16 Ca 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 55.36 55.78 3ifn s GLN 16 Cb 0.00 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 3ifn s GLN 16 CO 0.00 -1.92 0.23 0.99 -2.12 0.00 0.00 175.29 172.47 3ifn s THR 17 N -3.18 5.35 -0.17 -0.19 2.01 -1.26 -1.19 115.64 117.01 3ifn s THR 17 Ca 0.62 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.85 3ifn s THR 17 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3ifn s THR 17 CO 0.54 0.44 0.49 -0.22 -0.69 0.00 0.00 174.62 175.19 3ifn s LEU 18 N 0.16 4.19 -0.26 4.42 2.96 0.16 -4.96 118.68 125.35 3ifn s LEU 18 Ca 0.14 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3ifn s LEU 18 Cb -0.12 -2.69 0.06 0.00 0.50 0.00 0.00 46.19 43.94 3ifn s LEU 18 CO 0.03 -0.11 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.30 3ifn s SER 19 N 0.96 4.44 0.03 3.68 0.15 -1.26 -0.85 113.70 120.85 3ifn s SER 19 Ca 0.24 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.47 3ifn s SER 19 Cb -0.15 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 3ifn s SER 19 CO 0.10 -0.21 0.08 -0.76 1.20 0.00 0.00 173.24 173.65 3ifn s LEU 20 N 1.11 3.86 -0.03 3.45 1.43 0.16 -4.50 118.68 124.15 3ifn s LEU 20 Ca -0.07 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3ifn s LEU 20 Cb -0.20 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3ifn s LEU 20 CO -0.05 0.23 -0.19 -0.89 0.23 0.00 0.00 176.35 175.67 3ifn s THR 21 N -1.28 1.53 -0.31 5.49 2.01 -0.63 -1.59 115.64 120.86 3ifn s THR 21 Ca 0.26 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.47 3ifn s THR 21 Cb -0.12 -1.29 0.07 0.00 0.01 0.00 0.00 72.50 71.17 3ifn s THR 21 CO 0.18 0.44 0.00 0.00 -0.69 0.00 0.00 174.62 174.55 3ifn s SER 23 N 1.20 6.21 0.28 0.00 0.01 -0.23 -1.35 113.70 119.82 3ifn s SER 23 Ca -0.01 0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.59 3ifn s SER 23 Cb -0.20 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3ifn s SER 23 CO -0.04 -0.09 -0.16 0.72 0.41 0.00 0.00 173.24 174.07 3ifn s PHE 24 N 1.70 2.19 0.18 2.43 -0.71 -0.74 -0.60 117.98 122.43 3ifn s PHE 24 Ca 0.13 -0.42 -0.07 0.00 -1.04 0.00 0.00 56.93 55.52 3ifn s PHE 24 Cb -0.15 -1.04 -0.02 0.00 -1.21 0.00 0.00 43.02 40.60 3ifn s PHE 24 CO 0.09 0.61 0.26 -1.54 -1.34 0.00 0.00 175.22 173.29 3ifn s SER 25 N -3.49 0.07 0.00 1.98 1.04 -0.59 -4.83 113.70 107.88 3ifn s SER 25 Ca 0.29 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3ifn s SER 25 Cb -0.02 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3ifn s SER 25 CO 0.14 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3ifn n GLY 26 N -0.24 1.16 3.85 7.32 0.00 -1.20 -1.39 105.19 114.68 3ifn n GLY 26 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 3ifn n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ifn s PHE 27 N -2.90 -0.15 -0.01 1.61 -0.71 -1.26 -4.53 117.98 110.02 3ifn s PHE 27 Ca 0.00 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 3ifn s PHE 27 Cb 0.00 0.70 -0.01 0.00 -1.21 0.00 0.00 43.02 42.50 3ifn s PHE 27 CO 0.00 -1.25 -0.11 0.45 -1.34 0.00 0.00 175.22 172.97 3ifn s SER 28 N -2.93 1.34 0.00 1.98 0.15 -1.26 -5.00 113.70 107.98 3ifn s SER 28 Ca 0.12 -0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.68 3ifn s SER 28 Cb -0.06 -0.15 0.73 0.00 -1.71 0.00 0.00 66.02 64.83 3ifn s SER 28 CO 0.07 0.14 1.38 0.18 1.20 0.00 0.00 173.24 176.21 3ifn n LEU 29 N 2.81 0.00 0.07 3.45 4.77 -1.26 -2.14 117.00 124.70 3ifn n LEU 29 Ca -0.14 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3ifn n LEU 29 Cb 0.56 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.78 3ifn n LEU 29 CO 0.25 0.00 0.27 0.28 -1.33 0.00 0.00 177.39 176.85 3ifn h SER 30 N 0.00 0.00 -3.12 -1.43 0.02 -1.92 -3.39 113.55 103.71 3ifn h SER 30 Ca 0.00 -0.19 -0.55 0.00 -0.84 0.00 0.00 61.79 60.21 3ifn h SER 30 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3ifn h SER 30 CO 0.00 0.09 0.68 -0.89 -1.14 0.00 0.00 176.83 175.58 3ifn s THR 31 N -3.20 4.39 0.19 -2.27 2.01 -0.91 -4.97 115.64 110.88 3ifn s THR 31 Ca 0.05 1.70 -0.33 0.00 0.31 0.00 0.00 61.69 63.42 3ifn s THR 31 Cb 0.13 -4.09 -0.15 0.00 0.01 0.00 0.00 72.50 68.40 3ifn s THR 31 CO 0.74 -0.01 1.34 -0.24 -0.69 0.00 0.00 174.62 175.75 3ifn n SER 32 N 5.27 2.19 0.00 3.53 2.88 -1.26 -2.08 113.62 124.15 3ifn n SER 32 Ca 0.11 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3ifn n SER 32 Cb 0.47 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3ifn n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ifn n GLY 33 N 2.29 0.74 3.79 0.46 0.00 -1.26 -4.90 105.19 106.30 3ifn n GLY 33 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3ifn n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ifn s MET 34 N -0.73 4.47 0.08 1.61 -2.45 -0.88 -1.33 119.30 120.07 3ifn s MET 34 Ca 0.00 1.11 -0.16 0.00 -1.25 0.00 0.00 55.69 55.40 3ifn s MET 34 Cb 0.00 -3.01 0.03 0.00 1.25 0.00 0.00 34.83 33.10 3ifn s MET 34 CO 0.00 0.43 0.37 -1.54 1.05 0.00 0.00 175.02 175.33 3ifn s SER 35 N -1.45 -0.20 -0.01 1.11 1.04 -0.62 -0.85 113.70 112.73 3ifn s SER 35 Ca 0.42 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3ifn s SER 35 Cb -0.20 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3ifn s SER 35 CO 0.24 -0.75 -0.06 -0.69 0.98 0.00 0.00 173.24 172.97 3ifn s VAL 36 N -3.22 0.47 0.24 5.02 1.01 -0.48 -2.22 120.40 121.21 3ifn s VAL 36 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3ifn s VAL 36 Cb 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3ifn s VAL 36 CO -0.08 0.14 -0.12 -0.83 0.00 0.00 0.00 175.10 174.22 3ifn s GLY 37 N 0.02 1.62 -0.09 4.51 0.00 0.04 -0.99 107.32 112.44 3ifn s GLY 37 Ca 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 42.96 3ifn s GLY 37 CO -0.00 -1.81 -0.12 -0.98 0.00 0.00 0.00 173.10 170.19 3ifn s TRP 38 N -2.94 2.81 -0.01 1.90 0.52 -0.09 -0.94 118.94 120.19 3ifn s TRP 38 Ca 0.26 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.11 3ifn s TRP 38 Cb 0.01 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 3ifn s TRP 38 CO 0.10 0.07 -0.04 0.42 0.02 0.00 0.00 176.95 177.52 3ifn s ILE 39 N -0.32 0.37 0.30 2.03 1.01 0.35 -0.55 121.20 124.39 3ifn s ILE 39 Ca 0.03 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.61 3ifn s ILE 39 Cb -0.13 -0.34 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 3ifn s ILE 39 CO 0.03 0.13 -0.10 0.00 0.00 0.00 0.00 174.94 174.99 3ifn s ARG 40 N 0.17 1.65 -0.21 2.79 1.70 0.04 0.23 118.95 125.33 3ifn s ARG 40 Ca -0.02 -1.83 -0.04 0.00 -0.47 0.00 0.00 55.73 53.38 3ifn s ARG 40 Cb -0.05 -1.44 0.09 0.00 -0.57 0.00 0.00 34.95 32.98 3ifn s ARG 40 CO -0.00 0.12 0.17 -1.14 -1.08 0.00 0.00 175.30 173.37 3ifn s GLN 41 N -3.65 0.16 0.42 3.89 0.74 0.04 -0.82 119.66 120.44 3ifn s GLN 41 Ca 0.30 -0.00 -0.26 0.00 0.05 0.00 0.00 55.36 55.44 3ifn s GLN 41 Cb 0.02 -1.37 -0.09 0.00 1.10 0.00 0.00 33.01 32.66 3ifn s GLN 41 CO 0.14 -0.73 1.42 -2.14 -0.55 0.00 0.00 175.29 173.42 3ifn s PRO 42 N 2.24 3.87 0.29 1.67 0.02 -1.26 -1.38 135.00 140.45 3ifn s PRO 42 Ca 0.06 2.40 -0.30 0.00 0.02 0.00 0.00 61.00 63.18 3ifn s PRO 42 Cb -0.16 -2.77 -0.13 0.00 0.02 0.00 0.00 34.50 31.46 3ifn s PRO 42 CO -0.16 -0.66 1.33 -1.13 -0.33 0.00 0.00 177.00 176.05 3ifn n SER 43 N 0.07 2.66 0.00 2.53 3.41 -1.26 -0.86 113.62 120.18 3ifn n SER 43 Ca 0.04 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 3ifn n SER 43 Cb 0.41 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 3ifn n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifn n GLY 44 N 1.48 0.21 2.09 5.00 0.00 -1.26 -4.95 105.19 107.76 3ifn n GLY 44 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3ifn n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ifn n LYS 45 N -0.67 1.01 -2.47 1.61 4.76 -0.04 -5.16 118.16 117.20 3ifn n LYS 45 Ca 0.00 -2.14 -0.25 0.00 -2.87 0.00 0.00 58.31 53.05 3ifn n LYS 45 Cb 0.28 0.85 0.13 0.00 -1.84 0.00 0.00 35.03 34.44 3ifn n LYS 45 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3ifn s GLY 46 N -2.59 1.76 0.16 0.72 0.00 -1.26 -4.67 107.32 101.44 3ifn s GLY 46 Ca 0.06 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.90 3ifn s GLY 46 CO 0.04 -1.06 0.62 1.08 0.00 0.00 0.00 173.10 173.78 3ifn s LEU 47 N -5.32 4.38 -0.08 0.66 1.43 -1.26 -4.08 118.68 114.42 3ifn s LEU 47 Ca 0.69 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3ifn s LEU 47 Cb -0.04 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 42.90 3ifn s LEU 47 CO 0.47 0.11 -0.03 -0.70 0.23 0.00 0.00 176.35 176.43 3ifn s GLU 48 N -1.78 0.91 0.19 1.70 2.12 -0.00 -4.98 118.70 116.86 3ifn s GLU 48 Ca 0.38 -0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 3ifn s GLU 48 Cb -0.17 -1.12 -0.08 0.00 0.26 0.00 0.00 34.13 33.03 3ifn s GLU 48 CO 0.20 -0.24 1.08 -0.46 -0.54 0.00 0.00 175.26 175.29 3ifn s TRP 49 N 1.68 3.64 -0.11 5.30 -0.00 -1.26 -0.78 118.94 127.41 3ifn s TRP 49 Ca 0.02 1.66 -0.06 0.00 -0.00 0.00 0.00 56.10 57.71 3ifn s TRP 49 Cb -0.13 -3.23 -0.05 0.00 -0.00 0.00 0.00 33.47 30.06 3ifn s TRP 49 CO -0.05 -0.45 -0.16 1.28 -0.00 0.00 0.00 176.95 177.58 3ifn n LEU 50 N 2.17 0.94 -3.53 5.86 4.77 0.28 -4.71 117.00 122.80 3ifn n LEU 50 Ca 0.02 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3ifn n LEU 50 Cb 0.46 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3ifn n LEU 50 CO 0.53 0.18 0.52 0.00 -1.33 0.00 0.00 177.39 177.28 3ifn s ALA 51 N -2.25 -1.62 -0.12 -1.18 0.00 -1.21 -1.09 121.76 114.30 3ifn s ALA 51 Ca -0.17 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 3ifn s ALA 51 Cb 0.06 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.95 3ifn s ALA 51 CO 0.22 -0.80 0.37 -1.58 0.00 0.00 0.00 175.76 173.97 3ifn s HIS 52 N -3.56 -0.38 -0.00 0.00 2.46 -0.15 -0.91 115.29 112.75 3ifn s HIS 52 Ca 0.04 0.88 0.02 0.00 0.47 0.00 0.00 55.06 56.48 3ifn s HIS 52 Cb -0.02 0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.56 3ifn s HIS 52 CO -0.08 -0.24 -0.08 -1.50 -2.47 0.00 0.00 174.74 170.37 3ifn s ILE 53 N -0.10 0.63 0.27 0.89 2.07 -0.16 -0.98 121.20 123.82 3ifn s ILE 53 Ca -0.03 -0.38 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 3ifn s ILE 53 Cb -0.03 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 3ifn s ILE 53 CO 0.01 0.15 0.14 0.26 -1.91 0.00 0.00 174.94 173.60 3ifn s TRP 54 N -0.25 2.95 0.55 3.50 0.52 -0.23 -1.38 118.94 124.60 3ifn s TRP 54 Ca 0.03 -0.18 0.24 0.00 0.02 0.00 0.00 56.10 56.21 3ifn s TRP 54 Cb -0.03 -1.39 1.47 0.00 -1.15 0.00 0.00 33.47 32.36 3ifn s TRP 54 CO -0.00 0.51 2.07 0.11 0.02 0.00 0.00 176.95 179.66 3ifn h TRP 55 N 1.58 0.00 -0.53 -1.98 0.09 -1.19 -0.13 115.95 113.79 3ifn h TRP 55 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.51 3ifn h TRP 55 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.48 3ifn h TRP 55 CO 0.59 0.00 0.00 -0.40 0.09 0.00 0.00 178.44 178.72 3ifn n ASP 56 N -4.19 4.21 0.00 0.11 5.75 -1.26 -4.82 116.55 116.34 3ifn n ASP 56 Ca 0.03 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 3ifn n ASP 56 Cb 0.37 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3ifn n ASP 56 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ifn n ASP 57 N 0.85 0.00 -4.73 -1.12 8.00 -0.06 -5.02 116.55 114.47 3ifn n ASP 57 Ca 0.22 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 3ifn n ASP 57 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 3ifn n ASP 57 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ifn s ASP 58 N -3.02 6.64 0.01 -2.24 1.01 -1.26 -4.78 116.67 113.03 3ifn s ASP 58 Ca 0.00 2.61 0.07 0.00 0.71 0.00 0.00 52.55 55.93 3ifn s ASP 58 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3ifn s ASP 58 CO 0.00 -0.75 -0.21 -0.54 0.21 0.00 0.00 175.17 173.88 3ifn s LYS 59 N 0.45 1.58 0.01 8.23 1.02 -1.26 -1.07 119.74 128.71 3ifn s LYS 59 Ca 0.65 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.88 3ifn s LYS 59 Cb -0.42 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 3ifn s LYS 59 CO 0.37 0.43 -0.20 0.71 -0.92 0.00 0.00 175.35 175.73 3ifn s TYR 60 N -0.60 1.80 0.08 3.18 2.02 -0.15 -4.99 117.35 118.69 3ifn s TYR 60 Ca 0.08 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3ifn s TYR 60 Cb -0.08 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3ifn s TYR 60 CO 0.00 0.03 -0.16 0.71 -1.57 0.00 0.00 175.55 174.56 3ifn s TYR 61 N -0.64 1.39 -0.25 2.71 2.02 -1.26 -0.98 117.35 120.35 3ifn s TYR 61 Ca 0.07 -0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 56.06 3ifn s TYR 61 Cb -0.08 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 3ifn s TYR 61 CO 0.00 0.10 0.91 1.21 -1.57 0.00 0.00 175.55 176.21 3ifn s ASN 62 N -1.84 6.91 0.44 2.29 3.84 -0.25 -4.93 114.94 121.40 3ifn s ASN 62 Ca 0.01 1.12 0.29 0.00 0.21 0.00 0.00 52.86 54.50 3ifn s ASN 62 Cb -0.10 -2.47 1.58 0.00 -0.55 0.00 0.00 41.25 39.71 3ifn s ASN 62 CO 0.03 -0.59 1.89 -0.65 -2.79 0.00 0.00 177.10 174.98 3ifn h PRO 63 N 7.66 0.00 0.00 0.43 0.11 -1.91 -2.49 132.00 135.79 3ifn h PRO 63 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3ifn h PRO 63 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ifn h PRO 63 CO 0.92 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.48 3ifn h SER 64 N 0.00 0.00 -0.31 -2.05 0.02 -1.97 -1.82 113.55 107.43 3ifn h SER 64 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ifn h SER 64 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3ifn h SER 64 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3ifn n LEU 65 N -2.85 2.91 0.00 5.07 4.32 -0.94 -5.07 117.00 120.44 3ifn n LEU 65 Ca -0.01 -1.63 0.00 0.00 -0.02 0.00 0.00 56.01 54.35 3ifn n LEU 65 Cb 0.17 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 3ifn n LEU 65 CO 0.21 0.67 0.00 0.29 -1.22 0.00 0.00 177.39 177.34 3ifn n LYS 66 N 0.89 0.00 -0.24 3.23 4.01 -0.69 -1.77 118.16 123.60 3ifn n LYS 66 Ca 0.13 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.92 3ifn n LYS 66 Cb 0.45 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.05 3ifn n LYS 66 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3ifn n SER 67 N -1.25 2.51 0.13 4.39 2.88 -1.26 -4.01 113.62 117.01 3ifn n SER 67 Ca 0.00 -2.27 0.12 0.00 -1.33 0.00 0.00 58.87 55.38 3ifn n SER 67 Cb 0.00 -0.56 0.09 0.00 -0.75 0.00 0.00 64.21 63.00 3ifn n SER 67 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3ifn h ARG 68 N 0.65 0.00 -5.70 -1.46 3.08 -1.70 -3.47 114.38 105.77 3ifn h ARG 68 Ca 0.06 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.44 3ifn h ARG 68 Cb 1.07 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.03 3ifn h ARG 68 CO 0.17 0.00 -0.51 -0.51 -1.07 0.00 0.00 179.97 178.04 3ifn s LEU 69 N -5.38 4.19 -0.04 3.04 1.43 -1.26 -1.55 118.68 119.12 3ifn s LEU 69 Ca 0.03 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3ifn s LEU 69 Cb 0.09 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3ifn s LEU 69 CO 0.74 0.39 0.07 -0.89 0.23 0.00 0.00 176.35 176.89 3ifn s THR 70 N -0.95 -0.12 0.01 5.49 2.01 -0.37 -4.99 115.64 116.73 3ifn s THR 70 Ca 0.14 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.54 3ifn s THR 70 Cb -0.12 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3ifn s THR 70 CO 0.03 0.16 0.03 -0.51 -0.69 0.00 0.00 174.62 173.65 3ifn s ILE 71 N 2.02 4.37 0.29 1.82 2.07 -1.26 -0.74 121.20 129.77 3ifn s ILE 71 Ca 0.03 -0.57 -0.13 0.00 -1.41 0.00 0.00 60.65 58.56 3ifn s ILE 71 Cb -0.12 -2.99 0.01 0.00 0.13 0.00 0.00 42.46 39.49 3ifn s ILE 71 CO -0.03 0.33 0.57 -0.94 -1.91 0.00 0.00 174.94 172.95 3ifn s SER 72 N -1.73 0.03 0.04 4.50 1.04 -0.70 -4.99 113.70 111.88 3ifn s SER 72 Ca 0.22 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 3ifn s SER 72 Cb -0.12 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3ifn s SER 72 CO 0.13 -1.28 0.11 -1.59 0.98 0.00 0.00 173.24 171.59 3ifn s LYS 73 N -3.63 0.61 -0.41 4.02 -2.85 -1.26 -0.42 119.74 115.79 3ifn s LYS 73 Ca 0.20 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.46 3ifn s LYS 73 Cb -0.02 0.24 0.12 0.00 -2.06 0.00 0.00 37.83 36.11 3ifn s LYS 73 CO 0.11 -0.16 0.18 0.34 0.10 0.00 0.00 175.35 175.92 3ifn s ASP 74 N -2.12 4.01 0.42 0.03 -1.08 0.25 -4.98 116.67 113.19 3ifn s ASP 74 Ca -0.05 -2.39 0.10 0.00 -0.52 0.00 0.00 52.55 49.70 3ifn s ASP 74 Cb -0.01 -1.18 0.90 0.00 -1.46 0.00 0.00 42.92 41.17 3ifn s ASP 74 CO -0.04 -0.31 1.99 0.74 0.52 0.00 0.00 175.17 178.06 3ifn h THR 75 N 5.78 1.13 -0.64 1.71 2.02 -1.96 -1.25 112.91 119.69 3ifn h THR 75 Ca -0.06 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.68 3ifn h THR 75 Cb 0.96 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3ifn h THR 75 CO 0.52 0.17 0.42 -1.28 0.37 0.00 0.00 175.52 175.72 3ifn h SER 76 N 0.25 0.56 -0.37 4.18 0.87 -1.94 -2.56 113.55 114.54 3ifn h SER 76 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ifn h SER 76 Cb 0.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3ifn h SER 76 CO 0.01 0.37 0.00 0.54 -0.53 0.00 0.00 176.83 177.21 3ifn n ARG 77 N -4.48 2.47 -3.67 2.24 1.74 -0.66 -4.99 116.66 109.32 3ifn n ARG 77 Ca 0.09 -2.05 -0.21 0.00 -0.77 0.00 0.00 57.85 54.91 3ifn n ARG 77 Cb 0.23 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3ifn n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ifn n ASN 78 N 0.82 -1.67 -4.08 0.55 3.02 -0.57 -4.87 115.26 108.46 3ifn n ASN 78 Ca 0.14 -0.78 -0.16 0.00 -0.03 0.00 0.00 54.58 53.75 3ifn n ASN 78 Cb 0.46 -4.23 -0.13 0.00 -0.61 0.00 0.00 39.78 35.27 3ifn n ASN 78 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ifn s GLN 79 N -5.94 0.66 -0.02 3.52 -0.21 -0.85 -1.80 119.66 115.01 3ifn s GLN 79 Ca 0.06 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.84 3ifn s GLN 79 Cb -0.03 -0.56 -0.01 0.00 1.00 0.00 0.00 33.01 33.40 3ifn s GLN 79 CO 0.80 0.13 -0.21 0.08 -2.12 0.00 0.00 175.29 173.97 3ifn s VAL 80 N -0.96 1.68 0.09 1.09 1.01 -0.46 -0.58 120.40 122.27 3ifn s VAL 80 Ca -0.03 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.14 3ifn s VAL 80 Cb -0.08 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3ifn s VAL 80 CO 0.01 0.48 -0.23 -0.36 0.00 0.00 0.00 175.10 175.00 3ifn s PHE 81 N -0.43 2.43 -0.08 5.22 0.08 0.43 -0.24 117.98 125.40 3ifn s PHE 81 Ca 0.06 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.80 3ifn s PHE 81 Cb -0.09 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 3ifn s PHE 81 CO -0.00 0.30 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.15 3ifn s LEU 82 N -1.82 1.47 -0.14 -0.37 2.96 -0.62 -1.72 118.68 118.45 3ifn s LEU 82 Ca 0.15 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3ifn s LEU 82 Cb -0.10 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 3ifn s LEU 82 CO 0.06 -0.02 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.25 3ifn s LYS 83 N 1.04 3.46 -0.19 1.98 2.20 0.08 -0.67 119.74 127.65 3ifn s LYS 83 Ca -0.08 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 3ifn s LYS 83 Cb -0.15 -2.78 0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3ifn s LYS 83 CO -0.01 0.29 -0.09 0.42 -0.36 0.00 0.00 175.35 175.60 3ifn s ILE 84 N 0.21 1.48 0.55 5.43 1.01 -0.03 -1.23 121.20 128.61 3ifn s ILE 84 Ca -0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3ifn s ILE 84 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3ifn s ILE 84 CO 0.04 0.17 0.89 0.42 0.00 0.00 0.00 174.94 176.46 3ifn s THR 85 N 1.47 4.51 -1.21 2.92 -4.23 -0.59 -0.67 115.64 117.85 3ifn s THR 85 Ca -0.00 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.72 3ifn s THR 85 Cb -0.16 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 3ifn s THR 85 CO -0.08 -0.83 0.71 -1.20 -0.54 0.00 0.00 174.62 172.68 3ifn n SER 86 N -2.49 -3.74 -4.75 3.99 7.64 -1.16 -4.90 113.62 108.21 3ifn n SER 86 Ca 0.03 -0.97 -0.35 0.00 1.01 0.00 0.00 58.87 58.59 3ifn n SER 86 Cb 0.55 -3.52 0.04 0.00 -1.01 0.00 0.00 64.21 60.27 3ifn n SER 86 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ifn s VAL 87 N -3.59 2.65 0.26 0.44 -7.23 -0.33 -4.57 120.40 108.03 3ifn s VAL 87 Ca 0.31 0.38 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 3ifn s VAL 87 Cb -0.10 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 3ifn s VAL 87 CO 0.85 -0.11 0.12 -0.90 -0.31 0.00 0.00 175.10 174.75 3ifn n ASP 88 N -1.83 0.73 0.01 4.85 5.68 -1.26 0.11 116.55 124.84 3ifn n ASP 88 Ca 0.13 -2.46 0.07 0.00 -0.50 0.00 0.00 54.79 52.03 3ifn n ASP 88 Cb 0.50 0.80 0.49 0.00 -1.14 0.00 0.00 41.12 41.77 3ifn n ASP 88 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3ifn h THR 89 N 1.52 1.02 0.00 2.12 1.35 -1.97 -1.46 112.91 115.49 3ifn h THR 89 Ca -0.20 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3ifn h THR 89 Cb 0.81 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3ifn h THR 89 CO 0.31 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.66 3ifn n ALA 90 N -2.50 1.42 1.50 6.62 0.00 -1.26 -1.18 120.51 125.11 3ifn n ALA 90 Ca 0.04 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3ifn n ALA 90 Cb 0.17 -1.29 0.65 0.00 0.00 0.00 0.00 19.45 18.97 3ifn n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ifn n ASP 91 N -2.02 0.54 -4.66 0.00 8.00 -0.55 -4.80 116.55 113.06 3ifn n ASP 91 Ca 0.01 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 3ifn n ASP 91 Cb 0.14 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3ifn n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ifn s THR 92 N -2.35 3.12 -0.09 -3.53 2.01 -0.32 -4.84 115.64 109.64 3ifn s THR 92 Ca 0.33 0.14 -0.33 0.00 0.31 0.00 0.00 61.69 62.14 3ifn s THR 92 Cb 0.20 -3.10 0.13 0.00 0.01 0.00 0.00 72.50 69.75 3ifn s THR 92 CO 0.44 -0.02 1.30 0.00 -0.69 0.00 0.00 174.62 175.66 3ifn s ALA 93 N 4.65 -2.24 -0.13 7.40 0.00 -0.69 -4.45 121.76 126.30 3ifn s ALA 93 Ca 0.87 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.72 3ifn s ALA 93 Cb -0.40 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3ifn s ALA 93 CO 0.39 -0.91 0.35 0.99 0.00 0.00 0.00 175.76 176.58 3ifn s THR 94 N -2.33 5.25 -0.17 0.00 2.01 -0.48 -0.84 115.64 119.08 3ifn s THR 94 Ca 0.13 0.68 -0.05 0.00 0.31 0.00 0.00 61.69 62.76 3ifn s THR 94 Cb 0.04 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3ifn s THR 94 CO -0.04 0.40 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.97 3ifn s TYR 95 N 0.32 3.08 0.01 4.92 1.51 0.34 -0.78 117.35 126.74 3ifn s TYR 95 Ca 0.20 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 3ifn s TYR 95 Cb -0.14 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3ifn s TYR 95 CO 0.07 -0.05 -0.18 0.71 -1.11 0.00 0.00 175.55 174.98 3ifn s TYR 96 N 0.54 2.56 -0.06 2.71 2.02 0.14 -1.00 117.35 124.26 3ifn s TYR 96 Ca -0.01 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3ifn s TYR 96 Cb -0.14 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 3ifn s TYR 96 CO 0.02 0.19 0.10 0.00 -1.57 0.00 0.00 175.55 174.29 3ifn s ALA 98 N -1.10 -0.72 -0.04 0.00 0.00 -0.11 -1.25 121.76 118.54 3ifn s ALA 98 Ca 0.19 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 3ifn s ALA 98 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3ifn s ALA 98 CO 0.09 -0.23 0.13 0.50 0.00 0.00 0.00 175.76 176.25 3ifn s ARG 99 N -1.01 3.27 0.07 0.00 3.52 -0.39 -0.78 118.95 123.63 3ifn s ARG 99 Ca -0.11 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3ifn s ARG 99 Cb -0.05 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 3ifn s ARG 99 CO 0.03 0.69 -0.10 1.03 -0.81 0.00 0.00 175.30 176.14 3ifn s ARG 100 N -1.60 0.72 0.12 5.12 0.52 -0.94 -3.68 118.95 119.21 3ifn s ARG 100 Ca 0.22 -0.97 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 3ifn s ARG 100 Cb -0.12 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.80 3ifn s ARG 100 CO 0.13 0.09 -0.11 0.95 0.02 0.00 0.00 175.30 176.38 3ifn s THR 101 N -1.81 1.15 0.40 0.02 -4.23 -0.85 -1.58 115.64 108.73 3ifn s THR 101 Ca -0.02 -1.83 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 3ifn s THR 101 Cb -0.07 -1.61 0.28 0.00 1.34 0.00 0.00 72.50 72.44 3ifn s THR 101 CO 0.01 -0.59 2.03 0.71 -0.54 0.00 0.00 174.62 176.23 3ifn h THR 102 N 3.23 1.08 0.00 3.99 1.35 -1.56 -1.73 112.91 119.27 3ifn h THR 102 Ca -0.38 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3ifn h THR 102 Cb 1.19 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3ifn h THR 102 CO 0.57 0.11 -0.62 0.35 -0.25 0.00 0.00 175.52 175.68 3ifn n THR 103 N -4.47 0.00 -3.35 6.82 -2.24 -1.26 -4.31 114.28 105.47 3ifn n THR 103 Ca 0.05 -0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 3ifn n THR 103 Cb 0.11 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 3ifn n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ifn n ALA 104 N -1.50 2.78 -2.68 6.98 0.00 -0.84 -5.06 120.51 120.18 3ifn n ALA 104 Ca 0.05 -3.28 -0.43 0.00 0.00 0.00 0.00 53.44 49.77 3ifn n ALA 104 Cb 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3ifn n ALA 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ifn n ASP 105 N 2.32 5.15 -3.61 0.00 -0.08 -0.71 -2.01 116.55 117.60 3ifn n ASP 105 Ca 0.27 -3.03 -0.04 0.00 -1.51 0.00 0.00 54.79 50.48 3ifn n ASP 105 Cb 0.49 -1.54 -0.02 0.00 2.34 0.00 0.00 41.12 42.39 3ifn n ASP 105 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3ifn s TYR 106 N 1.15 -0.09 -1.33 -0.67 1.13 -1.26 -4.97 117.35 111.31 3ifn s TYR 106 Ca 0.42 0.06 -0.16 0.00 -1.41 0.00 0.00 57.07 55.98 3ifn s TYR 106 Cb 0.03 0.51 0.08 0.00 -1.10 0.00 0.00 41.96 41.47 3ifn s TYR 106 CO 0.00 -0.13 1.85 1.19 -2.51 0.00 0.00 175.55 175.95 3ifn n PHE 107 N -0.02 4.27 0.09 -3.49 3.72 -1.26 -4.30 117.46 116.48 3ifn n PHE 107 Ca 0.02 -2.94 -0.07 0.00 -0.05 0.00 0.00 57.45 54.42 3ifn n PHE 107 Cb 0.58 -2.52 0.05 0.00 -0.94 0.00 0.00 39.48 36.64 3ifn n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ifn h ALA 108 N 6.95 0.66 -3.28 4.37 0.00 -1.90 -3.44 119.26 122.62 3ifn h ALA 108 Ca 0.46 -0.66 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 3ifn h ALA 108 Cb 0.79 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.16 3ifn h ALA 108 CO 1.57 0.86 -0.86 0.71 0.00 0.00 0.00 179.25 181.53 3ifn s TYR 109 N -3.39 2.40 0.14 0.00 2.02 -1.26 -5.05 117.35 112.21 3ifn s TYR 109 Ca -0.03 -1.09 0.09 0.00 -0.37 0.00 0.00 57.07 55.67 3ifn s TYR 109 Cb 0.11 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3ifn s TYR 109 CO 0.81 -0.49 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.52 3ifn s TRP 110 N 0.66 1.88 0.91 2.71 0.52 -1.26 -1.27 118.94 123.09 3ifn s TRP 110 Ca -0.12 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 55.43 3ifn s TRP 110 Cb -0.16 -0.98 0.15 0.00 -1.15 0.00 0.00 33.47 31.32 3ifn s TRP 110 CO 0.03 0.29 1.23 0.20 0.02 0.00 0.00 176.95 178.71 3ifn s GLY 111 N -2.30 1.66 0.33 0.98 0.00 -0.38 -4.66 107.32 102.96 3ifn s GLY 111 Ca 0.12 -0.87 0.26 0.00 0.00 0.00 0.00 44.72 44.23 3ifn s GLY 111 CO 0.06 -0.23 1.75 1.46 0.00 0.00 0.00 173.10 176.14 3ifn h GLN 112 N -1.46 0.00 0.00 2.90 4.20 -1.91 -3.46 115.11 115.38 3ifn h GLN 112 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3ifn h GLN 112 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3ifn h GLN 112 CO 0.52 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.09 3ifn n GLY 113 N 0.82 2.20 3.11 3.46 0.00 -1.26 -5.03 105.19 108.49 3ifn n GLY 113 Ca 0.04 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 3ifn n GLY 113 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ifn s THR 114 N -2.60 1.41 -0.14 2.61 -1.32 -0.17 -4.74 115.64 110.68 3ifn s THR 114 Ca 0.00 -0.68 -0.10 0.00 -1.21 0.00 0.00 61.69 59.70 3ifn s THR 114 Cb 0.00 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.71 3ifn s THR 114 CO 0.00 0.41 0.20 -0.89 -2.21 0.00 0.00 174.62 172.13 3ifn s THR 115 N 0.28 5.38 -0.08 5.08 2.01 -1.26 -0.50 115.64 126.55 3ifn s THR 115 Ca -0.09 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.29 3ifn s THR 115 Cb -0.14 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.87 3ifn s THR 115 CO 0.04 0.51 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.08 3ifn s LEU 116 N -0.29 1.86 -0.16 4.42 2.96 -0.02 -4.21 118.68 123.24 3ifn s LEU 116 Ca 0.14 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3ifn s LEU 116 Cb -0.12 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 3ifn s LEU 116 CO 0.03 0.10 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.24 3ifn s THR 117 N 0.45 3.90 -0.26 3.68 2.01 -0.40 -1.70 115.64 123.32 3ifn s THR 117 Ca -0.15 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3ifn s THR 117 Cb -0.16 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.64 3ifn s THR 117 CO 0.06 0.48 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.78 3ifn s VAL 118 N 0.49 3.43 -0.06 3.82 1.01 -1.26 -1.34 120.40 126.48 3ifn s VAL 118 Ca -0.03 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 3ifn s VAL 118 Cb -0.14 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3ifn s VAL 118 CO 0.03 0.21 0.57 -0.55 0.00 0.00 0.00 175.10 175.35 3ifn s SER 119 N 1.43 -0.53 0.00 3.32 0.15 -0.53 -4.43 113.70 113.12 3ifn s SER 119 Ca 0.02 0.62 0.24 0.00 0.70 0.00 0.00 55.95 57.53 3ifn s SER 119 Cb -0.16 0.57 0.50 0.00 -1.71 0.00 0.00 66.02 65.22 3ifn s SER 119 CO -0.01 -0.51 1.43 -1.54 1.20 0.00 0.00 173.24 173.81 3ifn n SER 120 N 1.26 2.64 -4.76 5.45 3.41 -1.26 -4.13 113.62 116.23 3ifn n SER 120 Ca -0.19 -1.86 -0.36 0.00 -0.26 0.00 0.00 58.87 56.20 3ifn n SER 120 Cb 0.57 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3ifn n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ifn s ALA 121 N -1.84 2.60 0.19 7.33 0.00 -1.26 -5.05 121.76 123.73 3ifn s ALA 121 Ca 0.33 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.31 3ifn s ALA 121 Cb 0.21 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3ifn s ALA 121 CO 0.31 -1.06 0.24 0.15 0.00 0.00 0.00 175.76 175.40 3ifn s LYS 122 N -3.29 3.20 0.05 0.00 -0.14 -1.26 -5.05 119.74 113.25 3ifn s LYS 122 Ca 0.76 -0.79 -0.34 0.00 -1.36 0.00 0.00 55.97 54.24 3ifn s LYS 122 Cb -0.29 -2.79 -0.13 0.00 -1.68 0.00 0.00 37.83 32.94 3ifn s LYS 122 CO 0.32 0.47 1.74 2.41 -0.76 0.00 0.00 175.35 179.52 3ifn n THR 123 N -0.80 0.29 -3.74 2.17 -1.04 -1.26 -4.67 114.28 105.24 3ifn n THR 123 Ca -0.08 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.73 3ifn n THR 123 Cb 0.56 -1.74 -0.15 0.00 -1.82 0.00 0.00 70.33 67.17 3ifn n THR 123 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3ifn s THR 124 N 2.47 -0.09 0.54 12.58 2.01 -0.18 -4.96 115.64 128.01 3ifn s THR 124 Ca 0.85 0.24 -0.18 0.00 0.31 0.00 0.00 61.69 62.92 3ifn s THR 124 Cb -0.66 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 3ifn s THR 124 CO 0.44 0.10 1.05 -2.16 -0.69 0.00 0.00 174.62 173.35 3ifn s PRO 125 N 1.39 3.56 0.59 4.92 0.04 -1.26 -1.78 135.00 142.45 3ifn s PRO 125 Ca -0.06 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 3ifn s PRO 125 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3ifn s PRO 125 CO -0.05 -0.62 1.06 -1.25 0.04 0.00 0.00 177.00 176.18 3ifn s PRO 126 N -3.71 3.31 -0.16 0.56 0.04 -1.26 -4.49 135.00 129.28 3ifn s PRO 126 Ca 0.65 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 3ifn s PRO 126 Cb -0.16 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3ifn s PRO 126 CO 0.29 -0.82 0.39 -1.12 0.04 0.00 0.00 177.00 175.78 3ifn s SER 127 N -2.67 6.51 -0.20 6.66 0.01 0.26 -4.90 113.70 119.37 3ifn s SER 127 Ca 0.64 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.46 3ifn s SER 127 Cb -0.17 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 3ifn s SER 127 CO 0.36 0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 173.29 3ifn s VAL 128 N 0.82 3.61 -0.01 3.43 1.01 -1.26 -0.73 120.40 127.27 3ifn s VAL 128 Ca 0.20 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3ifn s VAL 128 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3ifn s VAL 128 CO 0.07 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.09 3ifn s TYR 129 N 1.18 1.79 0.33 5.22 2.02 0.17 -4.97 117.35 123.08 3ifn s TYR 129 Ca 0.02 -0.34 -0.27 0.00 -0.37 0.00 0.00 57.07 56.11 3ifn s TYR 129 Cb -0.14 -1.15 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 3ifn s TYR 129 CO -0.00 -0.02 1.08 -1.25 -1.57 0.00 0.00 175.55 173.79 3ifn s PRO 130 N -0.52 4.44 -0.42 -1.71 0.04 -1.26 -0.68 135.00 134.88 3ifn s PRO 130 Ca 0.08 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 3ifn s PRO 130 Cb -0.08 -2.93 0.11 0.00 0.04 0.00 0.00 34.50 31.64 3ifn s PRO 130 CO -0.01 0.07 0.24 -0.51 0.04 0.00 0.00 177.00 176.83 3ifn s LEU 131 N -1.93 5.30 -0.12 -3.56 1.43 0.28 -4.83 118.68 115.25 3ifn s LEU 131 Ca 0.50 -1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 51.65 3ifn s LEU 131 Cb -0.28 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3ifn s LEU 131 CO 0.36 -0.57 -0.02 0.00 0.23 0.00 0.00 176.35 176.35 3ifn s ALA 132 N 1.23 3.14 0.00 4.21 0.00 -1.26 -1.66 121.76 127.43 3ifn s ALA 132 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3ifn s ALA 132 Cb -0.24 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3ifn s ALA 132 CO -0.03 0.40 0.00 -0.35 0.00 0.00 0.00 175.76 175.78 3ifn n PRO 133 N 2.84 0.00 0.00 0.00 -0.04 -1.26 -4.46 135.00 132.08 3ifn n PRO 133 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3ifn n PRO 133 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3ifn n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ifn n SER 141 N 0.00 0.00 -4.66 3.54 2.88 -1.26 -0.34 113.62 113.79 3ifn n SER 141 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 3ifn n SER 141 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3ifn n SER 141 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3ifn s MET 142 N -4.86 2.37 0.01 -1.46 1.00 -1.26 -0.37 119.30 114.72 3ifn s MET 142 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 55.69 54.56 3ifn s MET 142 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 34.83 32.50 3ifn s MET 142 CO 0.00 0.44 -0.13 0.14 0.00 0.00 0.00 175.02 175.47 3ifn s VAL 143 N -1.83 1.03 -0.19 -6.03 -7.23 0.20 -4.71 120.40 101.63 3ifn s VAL 143 Ca 0.28 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 3ifn s VAL 143 Cb -0.09 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 3ifn s VAL 143 CO 0.19 0.15 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.19 3ifn s THR 144 N -0.54 3.52 0.42 5.32 2.01 -1.26 -1.43 115.64 123.67 3ifn s THR 144 Ca 0.03 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.63 3ifn s THR 144 Cb -0.06 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 3ifn s THR 144 CO 0.00 0.46 0.11 -0.76 -0.69 0.00 0.00 174.62 173.74 3ifn s LEU 145 N 0.96 2.96 0.31 4.42 1.43 0.11 -4.51 118.68 124.36 3ifn s LEU 145 Ca -0.00 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 51.68 3ifn s LEU 145 Cb -0.15 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 44.94 3ifn s LEU 145 CO 0.01 -0.55 0.81 -0.83 0.23 0.00 0.00 176.35 176.02 3ifn s GLY 146 N -3.85 0.15 -0.03 -3.19 0.00 -0.66 -0.75 107.32 98.99 3ifn s GLY 146 Ca 0.36 -0.50 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 3ifn s GLY 146 CO 0.20 0.08 0.09 0.00 0.00 0.00 0.00 173.10 173.47 3ifn s LEU 148 N 0.22 4.09 -0.34 0.00 2.96 0.14 -1.24 118.68 124.50 3ifn s LEU 148 Ca -0.01 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 3ifn s LEU 148 Cb -0.02 -2.07 0.10 0.00 0.50 0.00 0.00 46.19 44.69 3ifn s LEU 148 CO -0.01 0.13 0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 3ifn s VAL 149 N 0.66 2.46 -0.08 1.68 1.01 0.54 -0.66 120.40 126.01 3ifn s VAL 149 Ca 0.07 -2.21 0.05 0.00 0.00 0.00 0.00 61.98 59.88 3ifn s VAL 149 Cb -0.12 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3ifn s VAL 149 CO 0.01 -0.55 -0.22 -0.75 0.00 0.00 0.00 175.10 173.58 3ifn s LYS 150 N 0.97 2.79 0.00 2.72 2.20 0.09 -1.38 119.74 127.13 3ifn s LYS 150 Ca 0.08 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 3ifn s LYS 150 Cb -0.20 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 3ifn s LYS 150 CO -0.07 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 3ifn n GLY 151 N 3.13 0.76 3.64 5.54 0.00 0.12 -0.57 105.19 117.81 3ifn n GLY 151 Ca -0.18 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 3ifn n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ifn s TYR 152 N -2.99 2.68 -0.26 1.61 1.13 -0.61 -4.44 117.35 114.46 3ifn s TYR 152 Ca 0.00 -0.23 -0.25 0.00 -1.41 0.00 0.00 57.07 55.17 3ifn s TYR 152 Cb 0.00 -1.20 0.08 0.00 -1.10 0.00 0.00 41.96 39.75 3ifn s TYR 152 CO 0.00 0.62 0.80 0.12 -2.51 0.00 0.00 175.55 174.58 3ifn s PHE 153 N -2.34 -0.70 0.61 -3.49 5.36 -0.73 -0.38 117.98 116.31 3ifn s PHE 153 Ca 0.32 1.70 -0.07 0.00 -0.96 0.00 0.00 56.93 57.91 3ifn s PHE 153 Cb -0.06 0.30 0.13 0.00 -0.34 0.00 0.00 43.02 43.05 3ifn s PHE 153 CO 0.20 -0.35 0.83 -0.35 -1.46 0.00 0.00 175.22 174.09 3ifn n PRO 154 N 2.49 -0.49 -1.36 10.12 -0.04 -1.26 -1.01 135.00 143.44 3ifn n PRO 154 Ca -0.14 -1.62 -0.31 0.00 -0.04 0.00 0.00 63.50 61.39 3ifn n PRO 154 Cb 0.55 -0.75 0.08 0.00 -0.04 0.00 0.00 33.50 33.34 3ifn n PRO 154 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ifn s GLU 155 N -4.72 2.35 0.52 0.54 2.02 -1.26 -4.76 118.70 113.37 3ifn s GLU 155 Ca 0.50 1.23 0.06 0.00 0.02 0.00 0.00 54.97 56.78 3ifn s GLU 155 Cb -0.02 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.33 3ifn s GLU 155 CO 0.34 -1.58 0.35 -1.25 0.02 0.00 0.00 175.26 173.14 3ifn s PRO 156 N -4.70 2.27 0.20 0.39 0.04 -1.26 -4.98 135.00 126.96 3ifn s PRO 156 Ca 0.63 -1.99 0.09 0.00 0.04 0.00 0.00 61.00 59.77 3ifn s PRO 156 Cb -0.18 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3ifn s PRO 156 CO 0.53 -0.51 -0.08 0.14 0.04 0.00 0.00 177.00 177.12 3ifn s VAL 157 N -2.74 3.22 -0.08 -0.36 -7.23 -1.26 -4.40 120.40 107.55 3ifn s VAL 157 Ca 0.34 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 3ifn s VAL 157 Cb -0.01 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3ifn s VAL 157 CO 0.20 -0.18 -0.16 0.42 -0.31 0.00 0.00 175.10 175.07 3ifn s THR 158 N -1.87 2.82 -0.10 5.32 -4.23 -0.39 -4.97 115.64 112.21 3ifn s THR 158 Ca 0.26 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 3ifn s THR 158 Cb -0.08 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3ifn s THR 158 CO 0.16 0.56 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.88 3ifn s VAL 159 N -0.22 2.04 0.31 2.29 1.01 -1.26 -1.16 120.40 123.40 3ifn s VAL 159 Ca -0.00 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3ifn s VAL 159 Cb -0.13 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3ifn s VAL 159 CO 0.03 0.55 0.04 0.42 0.00 0.00 0.00 175.10 176.14 3ifn s THR 160 N 0.38 1.20 -0.08 3.92 -4.23 -0.23 -4.98 115.64 111.62 3ifn s THR 160 Ca -0.18 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 3ifn s THR 160 Cb -0.18 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 70.98 3ifn s THR 160 CO 0.08 -0.08 -0.16 0.26 -0.54 0.00 0.00 174.62 174.19 3ifn s TRP 161 N -3.30 1.81 -1.47 3.99 0.52 -1.26 -0.54 118.94 118.70 3ifn s TRP 161 Ca 0.35 -0.71 -0.07 0.00 0.02 0.00 0.00 56.10 55.68 3ifn s TRP 161 Cb 0.08 -1.28 0.05 0.00 -1.15 0.00 0.00 33.47 31.17 3ifn s TRP 161 CO 0.14 -0.33 0.74 0.09 0.02 0.00 0.00 176.95 177.61 3ifn n ASN 162 N 3.77 -2.49 -3.11 2.95 3.02 0.63 -1.67 115.26 118.36 3ifn n ASN 162 Ca -0.21 -0.88 -0.22 0.00 -0.03 0.00 0.00 54.58 53.24 3ifn n ASN 162 Cb 0.52 -3.57 0.01 0.00 -0.61 0.00 0.00 39.78 36.13 3ifn n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ifn n SER 163 N -2.91 -4.64 0.00 6.41 7.64 -1.26 -1.71 113.62 117.15 3ifn n SER 163 Ca -0.13 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.47 3ifn n SER 163 Cb 0.60 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 3ifn n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ifn n GLY 164 N -1.25 1.39 0.24 0.23 0.00 -0.67 -4.91 105.19 100.22 3ifn n GLY 164 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ifn n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ifn h SER 165 N 0.00 0.00 -3.45 1.61 4.64 -1.27 -3.35 113.55 111.73 3ifn h SER 165 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 3ifn h SER 165 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 3ifn h SER 165 CO 0.00 0.14 -0.35 -0.22 -0.87 0.00 0.00 176.83 175.54 3ifn s LEU 166 N -6.63 5.74 -0.03 5.97 2.96 -0.92 -4.85 118.68 120.92 3ifn s LEU 166 Ca 0.00 -2.10 0.03 0.00 -0.22 0.00 0.00 54.13 51.85 3ifn s LEU 166 Cb 0.10 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3ifn s LEU 166 CO 0.60 -0.64 0.03 -1.54 -1.32 0.00 0.00 176.35 173.48 3ifn n SER 167 N 4.65 4.16 -4.82 3.68 3.41 -1.26 -4.14 113.62 119.31 3ifn n SER 167 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 3ifn n SER 167 Cb 0.41 0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 65.01 3ifn n SER 167 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ifn s SER 168 N -3.19 7.01 -0.77 4.04 0.15 -1.26 -4.05 113.70 115.63 3ifn s SER 168 Ca -0.02 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.27 3ifn s SER 168 Cb 0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3ifn s SER 168 CO 0.14 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3ifn n GLY 169 N -0.23 0.32 3.55 9.45 0.00 -1.26 -4.68 105.19 112.34 3ifn n GLY 169 Ca 0.05 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3ifn n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifn s VAL 170 N -2.39 4.06 -0.24 1.61 1.01 -1.26 -1.13 120.40 122.06 3ifn s VAL 170 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3ifn s VAL 170 Cb 0.00 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3ifn s VAL 170 CO 0.00 0.51 -0.12 -1.00 0.00 0.00 0.00 175.10 174.50 3ifn s HIS 171 N 0.09 3.00 -0.29 5.22 3.76 0.01 -4.98 115.29 122.09 3ifn s HIS 171 Ca 0.01 -2.08 -0.08 0.00 -0.15 0.00 0.00 55.06 52.75 3ifn s HIS 171 Cb -0.13 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 3ifn s HIS 171 CO 0.02 -0.84 0.12 0.99 -0.85 0.00 0.00 174.74 174.18 3ifn s THR 172 N 1.20 4.36 0.44 1.30 2.01 -1.26 -0.20 115.64 123.48 3ifn s THR 172 Ca -0.06 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 3ifn s THR 172 Cb -0.18 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 3ifn s THR 172 CO -0.07 0.12 0.90 -0.36 -0.69 0.00 0.00 174.62 174.53 3ifn s PHE 173 N 1.58 3.41 0.45 4.92 0.40 -0.63 -5.01 117.98 123.10 3ifn s PHE 173 Ca 0.04 1.39 -0.25 0.00 -0.60 0.00 0.00 56.93 57.51 3ifn s PHE 173 Cb -0.17 -2.70 -0.08 0.00 0.51 0.00 0.00 43.02 40.58 3ifn s PHE 173 CO 0.05 -0.19 1.41 -2.30 0.70 0.00 0.00 175.22 174.89 3ifn n PRO 174 N -1.11 2.18 -2.11 0.24 -0.02 -1.26 -4.58 135.00 128.34 3ifn n PRO 174 Ca 0.05 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 3ifn n PRO 174 Cb 0.54 -2.60 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3ifn n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifn s ALA 175 N -1.20 2.69 0.16 3.55 0.00 -1.26 -4.79 121.76 120.91 3ifn s ALA 175 Ca 0.62 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3ifn s ALA 175 Cb -0.45 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3ifn s ALA 175 CO 0.57 -0.98 -0.18 0.14 0.00 0.00 0.00 175.76 175.32 3ifn s VAL 176 N -1.61 1.76 -0.01 0.00 -7.23 -0.30 -4.92 120.40 108.08 3ifn s VAL 176 Ca 0.73 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 3ifn s VAL 176 Cb -0.29 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3ifn s VAL 176 CO 0.33 -0.33 0.67 -0.76 -0.31 0.00 0.00 175.10 174.70 3ifn s LEU 177 N -2.64 4.39 -0.20 1.32 1.43 -1.26 -1.32 118.68 120.41 3ifn s LEU 177 Ca 0.15 1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3ifn s LEU 177 Cb -0.06 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.17 3ifn s LEU 177 CO 0.06 0.01 0.03 -1.10 0.23 0.00 0.00 176.35 175.58 3ifn s GLN 178 N 0.15 0.71 -1.28 1.70 -0.21 0.16 -4.87 119.66 116.03 3ifn s GLN 178 Ca 0.35 -0.46 -0.13 0.00 0.02 0.00 0.00 55.36 55.13 3ifn s GLN 178 Cb -0.19 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.68 3ifn s GLN 178 CO 0.19 -0.64 0.58 0.43 -2.12 0.00 0.00 175.29 173.72 3ifn n SER 179 N 5.02 -2.70 0.00 5.90 7.64 -1.26 -1.52 113.62 126.70 3ifn n SER 179 Ca -0.09 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.72 3ifn n SER 179 Cb 0.47 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 3ifn n SER 179 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ifn n ASP 180 N -2.74 0.00 -4.47 6.43 9.92 -1.26 -4.98 116.55 119.45 3ifn n ASP 180 Ca -0.20 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.77 3ifn n ASP 180 Cb 0.63 -0.65 -0.12 0.00 -0.64 0.00 0.00 41.12 40.35 3ifn n ASP 180 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ifn s LEU 181 N 0.00 2.64 0.18 0.64 1.43 -0.58 -4.77 118.68 118.22 3ifn s LEU 181 Ca 0.00 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 3ifn s LEU 181 Cb 0.00 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 3ifn s LEU 181 CO 0.00 0.17 0.51 -0.31 0.23 0.00 0.00 176.35 176.95 3ifn s TYR 182 N -1.19 3.49 -0.02 0.29 2.02 0.49 0.41 117.35 122.84 3ifn s TYR 182 Ca 0.18 0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 57.72 3ifn s TYR 182 Cb -0.10 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 3ifn s TYR 182 CO 0.10 0.35 0.07 0.95 -1.57 0.00 0.00 175.55 175.45 3ifn s THR 183 N -1.67 0.01 0.17 -0.71 -4.23 -0.43 -0.70 115.64 108.08 3ifn s THR 183 Ca 0.43 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.75 3ifn s THR 183 Cb -0.12 -0.13 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 3ifn s THR 183 CO 0.21 -0.05 0.31 -1.48 -0.54 0.00 0.00 174.62 173.07 3ifn s LEU 184 N -0.12 0.85 0.17 4.79 0.05 -0.48 -1.15 118.68 122.79 3ifn s LEU 184 Ca -0.02 -0.85 0.07 0.00 0.05 0.00 0.00 54.13 53.38 3ifn s LEU 184 Cb -0.01 1.29 -0.04 0.00 -2.05 0.00 0.00 46.19 45.38 3ifn s LEU 184 CO 0.00 -0.92 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.30 3ifn s SER 185 N -2.97 2.35 -0.03 1.48 0.01 -1.26 -0.34 113.70 112.95 3ifn s SER 185 Ca 0.17 -0.96 0.05 0.00 1.31 0.00 0.00 55.95 56.53 3ifn s SER 185 Cb 0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3ifn s SER 185 CO 0.01 -0.17 -0.18 -0.55 0.41 0.00 0.00 173.24 172.76 3ifn s SER 186 N -3.03 2.18 0.10 2.44 0.15 -0.38 -1.60 113.70 113.56 3ifn s SER 186 Ca 0.18 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.57 3ifn s SER 186 Cb -0.02 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 3ifn s SER 186 CO 0.05 0.19 -0.17 -0.94 1.20 0.00 0.00 173.24 173.57 3ifn s SER 187 N -0.21 3.90 -0.01 5.45 1.04 0.71 -0.91 113.70 123.68 3ifn s SER 187 Ca 0.02 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.96 3ifn s SER 187 Cb -0.09 -0.58 -0.01 0.00 0.10 0.00 0.00 66.02 65.44 3ifn s SER 187 CO 0.01 0.20 -0.09 0.54 0.98 0.00 0.00 173.24 174.88 3ifn s VAL 188 N -1.10 0.68 -0.15 5.02 0.11 0.07 -0.81 120.40 124.23 3ifn s VAL 188 Ca 0.17 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 3ifn s VAL 188 Cb -0.11 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3ifn s VAL 188 CO 0.09 0.19 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.98 3ifn s THR 189 N -0.18 2.38 0.14 5.04 2.01 -0.29 -0.71 115.64 124.03 3ifn s THR 189 Ca 0.03 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.19 3ifn s THR 189 Cb -0.04 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3ifn s THR 189 CO -0.00 0.53 -0.06 0.68 -0.69 0.00 0.00 174.62 175.07 3ifn s VAL 190 N 0.83 0.92 0.45 3.82 -7.23 -0.52 -4.67 120.40 114.00 3ifn s VAL 190 Ca -0.06 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.86 3ifn s VAL 190 Cb -0.15 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 3ifn s VAL 190 CO -0.01 -0.71 1.33 -2.84 -0.31 0.00 0.00 175.10 172.56 3ifn s PRO 191 N -3.81 3.74 0.35 4.82 0.02 -1.26 -0.62 135.00 138.23 3ifn s PRO 191 Ca 0.17 2.21 0.25 0.00 0.02 0.00 0.00 61.00 63.65 3ifn s PRO 191 Cb 0.04 -2.62 1.26 0.00 0.02 0.00 0.00 34.50 33.20 3ifn s PRO 191 CO 0.00 -0.70 1.75 0.66 -0.33 0.00 0.00 177.00 178.38 3ifn h SER 192 N 2.33 0.00 0.90 2.53 4.64 -0.99 -1.04 113.55 121.91 3ifn h SER 192 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ifn h SER 192 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ifn h SER 192 CO 0.61 0.00 -0.03 -1.54 -0.87 0.00 0.00 176.83 175.00 3ifn n SER 193 N -2.37 0.03 -0.00 4.97 3.41 -1.26 -3.57 113.62 114.83 3ifn n SER 193 Ca -0.01 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.02 3ifn n SER 193 Cb 0.10 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 3ifn n SER 193 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ifn n THR 194 N -1.46 0.00 -3.80 6.66 -2.24 -0.40 -4.75 114.28 108.30 3ifn n THR 194 Ca 0.08 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 3ifn n THR 194 Cb 0.32 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 3ifn n THR 194 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3ifn s TRP 195 N -2.36 -0.08 -2.14 4.78 -0.00 -1.23 -0.87 118.94 117.03 3ifn s TRP 195 Ca 0.04 0.27 0.16 0.00 -0.00 0.00 0.00 56.10 56.57 3ifn s TRP 195 Cb 0.10 -0.06 0.59 0.00 -0.00 0.00 0.00 33.47 34.10 3ifn s TRP 195 CO 0.56 -0.09 1.43 -0.35 -0.00 0.00 0.00 176.95 178.51 3ifn n PRO 196 N 3.64 1.65 -0.23 5.86 -0.05 -1.26 -4.74 135.00 139.87 3ifn n PRO 196 Ca -0.20 -0.99 0.10 0.00 -0.05 0.00 0.00 63.50 62.35 3ifn n PRO 196 Cb 0.55 -1.32 0.37 0.00 -0.05 0.00 0.00 33.50 33.05 3ifn n PRO 196 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3ifn h SER 197 N 1.84 0.65 -3.90 3.54 4.64 -1.86 -3.40 113.55 115.07 3ifn h SER 197 Ca 0.00 0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.66 3ifn h SER 197 Cb 0.41 -0.11 -0.21 0.00 -0.31 0.00 0.00 62.40 62.18 3ifn h SER 197 CO 0.00 0.37 -0.83 -1.61 -0.87 0.00 0.00 176.83 173.90 3ifn s GLU 198 N -5.67 1.79 0.49 4.77 2.02 -0.05 -5.09 118.70 116.95 3ifn s GLU 198 Ca -0.10 -1.15 -0.21 0.00 0.02 0.00 0.00 54.97 53.53 3ifn s GLU 198 Cb 0.21 -2.07 -0.08 0.00 0.10 0.00 0.00 34.13 32.29 3ifn s GLU 198 CO 0.78 0.49 1.08 0.95 0.02 0.00 0.00 175.26 178.59 3ifn s THR 199 N -1.03 3.53 -0.08 3.63 -4.23 -1.26 -4.28 115.64 111.91 3ifn s THR 199 Ca 0.16 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 3ifn s THR 199 Cb -0.10 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.33 3ifn s THR 199 CO 0.07 -0.16 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.24 3ifn s VAL 200 N -1.83 0.83 -0.02 2.29 1.01 -1.26 -5.00 120.40 116.41 3ifn s VAL 200 Ca 0.67 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.45 3ifn s VAL 200 Cb -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3ifn s VAL 200 CO 0.24 0.31 -0.08 -0.89 0.00 0.00 0.00 175.10 174.69 3ifn s THR 201 N 1.36 0.69 -0.07 3.92 2.01 -1.26 -0.99 115.64 121.30 3ifn s THR 201 Ca -0.03 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 3ifn s THR 201 Cb -0.14 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3ifn s THR 201 CO -0.03 0.22 0.40 0.00 -0.69 0.00 0.00 174.62 174.52 3ifn s ASN 203 N -0.24 3.91 -0.17 0.00 -0.87 0.30 -0.81 114.94 117.06 3ifn s ASN 203 Ca 0.23 -0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.07 3ifn s ASN 203 Cb -0.15 -1.64 0.02 0.00 -0.02 0.00 0.00 41.25 39.45 3ifn s ASN 203 CO 0.10 0.01 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.76 3ifn s VAL 204 N 1.28 1.97 -0.09 1.60 1.01 0.34 -1.06 120.40 125.45 3ifn s VAL 204 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3ifn s VAL 204 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3ifn s VAL 204 CO -0.05 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 3ifn s ALA 205 N 1.26 2.85 -0.45 5.51 0.00 -0.31 -1.06 121.76 129.57 3ifn s ALA 205 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3ifn s ALA 205 Cb -0.13 -1.24 0.13 0.00 0.00 0.00 0.00 23.12 21.88 3ifn s ALA 205 CO -0.11 0.43 0.23 -1.58 0.00 0.00 0.00 175.76 174.74 3ifn s HIS 206 N -0.32 2.23 0.27 0.00 2.46 -0.32 -1.26 115.29 118.35 3ifn s HIS 206 Ca 0.04 -2.56 -0.00 0.00 0.47 0.00 0.00 55.06 53.01 3ifn s HIS 206 Cb -0.13 -2.08 0.54 0.00 -0.13 0.00 0.00 32.58 30.78 3ifn s HIS 206 CO 0.02 -0.78 1.79 -1.35 -2.47 0.00 0.00 174.74 171.96 3ifn h PRO 207 N 6.75 0.75 -0.14 2.88 0.11 -1.79 -2.19 132.00 138.38 3ifn h PRO 207 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3ifn h PRO 207 Cb 0.93 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3ifn h PRO 207 CO 0.52 0.50 0.05 0.00 -0.21 0.00 0.00 178.00 178.86 3ifn h ALA 208 N 1.54 1.83 -0.54 -0.75 0.00 -1.91 -1.39 119.26 118.05 3ifn h ALA 208 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ifn h ALA 208 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ifn h ALA 208 CO -0.32 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 3ifn n SER 209 N -4.48 3.65 -2.74 0.00 3.41 -0.84 -4.95 113.62 107.66 3ifn n SER 209 Ca -0.01 -1.99 -0.21 0.00 -0.26 0.00 0.00 58.87 56.40 3ifn n SER 209 Cb 0.11 -0.35 0.03 0.00 -0.26 0.00 0.00 64.21 63.74 3ifn n SER 209 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ifn n SER 210 N 1.55 -5.77 -4.37 4.04 7.64 -0.53 -4.92 113.62 111.28 3ifn n SER 210 Ca 0.22 -0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.56 3ifn n SER 210 Cb 0.61 -4.61 -0.14 0.00 -1.01 0.00 0.00 64.21 59.07 3ifn n SER 210 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ifn s THR 211 N -3.12 2.18 -0.04 0.44 -4.23 -1.09 -5.03 115.64 104.76 3ifn s THR 211 Ca 0.26 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3ifn s THR 211 Cb -0.11 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.85 3ifn s THR 211 CO 0.32 0.21 0.08 -0.54 -0.54 0.00 0.00 174.62 174.15 3ifn s LYS 212 N -1.68 0.02 0.02 3.99 1.02 -1.26 -1.17 119.74 120.68 3ifn s LYS 212 Ca 0.13 0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.40 3ifn s LYS 212 Cb -0.10 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.99 3ifn s LYS 212 CO 0.04 -0.16 -0.07 0.08 -0.92 0.00 0.00 175.35 174.32 3ifn s VAL 213 N 1.08 0.55 -0.08 3.17 1.01 -0.22 -4.99 120.40 120.92 3ifn s VAL 213 Ca -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3ifn s VAL 213 Cb -0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3ifn s VAL 213 CO -0.04 -0.12 -0.13 -1.81 0.00 0.00 0.00 175.10 173.00 3ifn s ASP 214 N -0.89 4.12 -0.22 3.32 1.01 -1.26 -0.50 116.67 122.25 3ifn s ASP 214 Ca -0.03 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.02 3ifn s ASP 214 Cb -0.06 -1.11 0.06 0.00 1.01 0.00 0.00 42.92 42.81 3ifn s ASP 214 CO 0.00 0.30 -0.05 -0.75 0.21 0.00 0.00 175.17 174.87 3ifn s LYS 215 N -0.43 1.60 0.15 8.23 2.47 0.01 -4.97 119.74 126.79 3ifn s LYS 215 Ca 0.05 -0.88 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 3ifn s LYS 215 Cb -0.12 -2.47 -0.07 0.00 -1.46 0.00 0.00 37.83 33.71 3ifn s LYS 215 CO 0.02 -0.56 1.11 0.21 0.16 0.00 0.00 175.35 176.29 3ifn s LYS 216 N 1.45 4.56 -0.25 4.03 2.20 -1.26 -1.31 119.74 129.17 3ifn s LYS 216 Ca -0.04 1.71 -0.18 0.00 -0.36 0.00 0.00 55.97 57.10 3ifn s LYS 216 Cb -0.18 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3ifn s LYS 216 CO -0.07 0.01 0.49 0.42 -0.36 0.00 0.00 175.35 175.85 3ifn s ILE 217 N 0.04 5.10 0.05 5.43 -1.09 -0.16 -4.93 121.20 125.64 3ifn s ILE 217 Ca 0.51 0.85 0.09 0.00 -2.23 0.00 0.00 60.65 59.87 3ifn s ILE 217 Cb -0.29 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3ifn s ILE 217 CO 0.34 0.12 -0.24 0.68 -1.23 0.00 0.00 174.94 174.61 3ifn s VAL 218 N 2.09 2.35 0.47 2.92 -7.23 -1.26 -4.64 120.40 115.10 3ifn s VAL 218 Ca 0.21 -1.38 -0.24 0.00 -1.81 0.00 0.00 61.98 58.77 3ifn s VAL 218 Cb -0.16 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.74 3ifn s VAL 218 CO 0.09 0.32 1.20 -2.65 -0.31 0.00 0.00 175.10 173.75 3ifn n PRO 219 N 1.60 1.65 -3.06 4.82 -0.02 -1.26 -4.72 135.00 134.01 3ifn n PRO 219 Ca -0.17 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.67 3ifn n PRO 219 Cb 0.52 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3ifn n PRO 219 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3ifn s ARG 220 N -2.36 3.19 -0.03 -0.52 1.70 0.54 -4.98 118.95 116.50 3ifn s ARG 220 Ca 0.65 -0.42 0.21 0.00 -0.47 0.00 0.00 55.73 55.70 3ifn s ARG 220 Cb -0.49 -2.57 -0.32 0.00 -0.57 0.00 0.00 34.95 31.00 3ifn s ARG 220 CO 0.55 -0.17 0.51 -0.25 -1.08 0.00 0.00 175.30 174.86 3ifn n ASP 221 N -2.02 0.23 -0.86 -2.89 8.00 -1.26 -4.96 116.55 112.79 3ifn n ASP 221 Ca -0.00 -0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.51 3ifn n ASP 221 Cb 0.57 1.87 0.09 0.00 -0.02 0.00 0.00 41.12 43.63 3ifn n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81