#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf3 s VAL 2 N 0.00 2.97 -0.04 0.00 1.01 -1.26 -4.13 120.40 118.95 1xf3 s VAL 2 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1xf3 s VAL 2 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1xf3 s VAL 2 CO 0.00 0.03 0.09 -0.75 0.00 0.00 0.00 175.10 174.47 1xf3 s LYS 3 N 1.70 0.06 -0.30 2.72 2.36 -0.77 -5.00 119.74 120.51 1xf3 s LYS 3 Ca 0.70 0.22 0.03 0.00 -2.55 0.00 0.00 55.97 54.38 1xf3 s LYS 3 Cb -0.40 -0.11 0.08 0.00 -1.05 0.00 0.00 37.83 36.35 1xf3 s LYS 3 CO 0.31 -0.11 -0.03 -0.51 1.55 0.00 0.00 175.35 176.56 1xf3 s LEU 4 N 0.71 4.06 -0.25 5.43 1.43 -1.26 -1.26 118.68 127.53 1xf3 s LEU 4 Ca -0.06 -1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 51.15 1xf3 s LEU 4 Cb -0.08 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1xf3 s LEU 4 CO -0.03 -0.28 0.31 -0.22 0.23 0.00 0.00 176.35 176.36 1xf3 s LEU 5 N 1.01 4.07 0.19 1.79 2.96 -0.47 -3.94 118.68 124.30 1xf3 s LEU 5 Ca 0.01 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.23 1xf3 s LEU 5 Cb -0.19 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1xf3 s LEU 5 CO -0.07 -0.09 0.10 -1.61 -1.32 0.00 0.00 176.35 173.36 1xf3 s GLU 6 N 1.67 2.74 0.89 1.98 2.02 -1.26 -0.10 118.70 126.64 1xf3 s GLU 6 Ca 0.13 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1xf3 s GLU 6 Cb -0.15 -2.53 0.12 0.00 0.10 0.00 0.00 34.13 31.67 1xf3 s GLU 6 CO 0.09 0.46 1.09 -1.54 0.02 0.00 0.00 175.26 175.38 1xf3 s SER 7 N -3.20 3.49 1.10 -0.19 1.04 -0.85 -4.98 113.70 110.11 1xf3 s SER 7 Ca 0.30 1.63 -0.17 0.00 0.48 0.00 0.00 55.95 58.19 1xf3 s SER 7 Cb -0.09 -2.29 0.24 0.00 0.10 0.00 0.00 66.02 63.98 1xf3 s SER 7 CO 0.22 -2.65 1.17 -0.83 0.98 0.00 0.00 173.24 172.13 1xf3 s GLY 8 N -3.29 1.63 0.44 7.32 0.00 -1.26 -4.61 107.32 107.56 1xf3 s GLY 8 Ca 0.64 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 1xf3 s GLY 8 CO 0.57 -0.13 1.18 -1.55 0.00 0.00 0.00 173.10 173.17 1xf3 n PRO 9 N -4.37 1.66 -5.09 2.90 -0.04 -1.26 -4.68 135.00 124.12 1xf3 n PRO 9 Ca 0.13 0.60 -0.31 0.00 -0.04 0.00 0.00 63.50 63.87 1xf3 n PRO 9 Cb 0.59 -2.28 -0.15 0.00 -0.04 0.00 0.00 33.50 31.63 1xf3 n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf3 s GLU 10 N -2.23 2.15 -0.16 0.54 0.41 0.14 -4.99 118.70 114.56 1xf3 s GLU 10 Ca 0.63 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 1xf3 s GLU 10 Cb -0.51 -2.13 0.03 0.00 -1.78 0.00 0.00 34.13 29.74 1xf3 s GLU 10 CO 0.56 0.57 -0.13 -0.51 -0.49 0.00 0.00 175.26 175.26 1xf3 s LEU 11 N -0.81 1.78 0.09 1.80 1.02 -1.26 -1.48 118.68 119.81 1xf3 s LEU 11 Ca 0.11 -0.57 -0.05 0.00 0.02 0.00 0.00 54.13 53.65 1xf3 s LEU 11 Cb -0.10 -1.16 -0.02 0.00 0.02 0.00 0.00 46.19 44.93 1xf3 s LEU 11 CO 0.00 -0.08 0.10 0.68 0.02 0.00 0.00 176.35 177.07 1xf3 s VAL 12 N 1.49 0.15 0.19 -1.59 -7.23 -0.40 -5.00 120.40 108.01 1xf3 s VAL 12 Ca 0.04 -1.55 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 1xf3 s VAL 12 Cb -0.14 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.14 1xf3 s VAL 12 CO -0.10 -0.69 0.58 -0.54 -0.31 0.00 0.00 175.10 174.04 1xf3 s LYS 13 N -3.93 3.96 0.21 4.82 -0.14 -1.25 -0.61 119.74 122.81 1xf3 s LYS 13 Ca 0.11 0.48 -0.32 0.00 -1.36 0.00 0.00 55.97 54.88 1xf3 s LYS 13 Cb 0.06 -2.81 -0.14 0.00 -1.68 0.00 0.00 37.83 33.27 1xf3 s LYS 13 CO -0.07 0.40 1.48 -2.30 -0.76 0.00 0.00 175.35 174.10 1xf3 n PRO 14 N 0.45 2.09 0.00 -1.68 -0.01 -1.26 -2.18 135.00 132.41 1xf3 n PRO 14 Ca -0.03 0.75 0.00 0.00 -0.01 0.00 0.00 63.50 64.21 1xf3 n PRO 14 Cb 0.52 -2.45 0.00 0.00 -0.01 0.00 0.00 33.50 31.56 1xf3 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1xf3 n GLY 15 N 2.61 3.25 3.25 -1.23 0.00 0.10 -4.87 105.19 108.32 1xf3 n GLY 15 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1xf3 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf3 n ALA 16 N -1.11 -2.37 -2.46 4.61 0.00 -0.93 -3.94 120.51 114.31 1xf3 n ALA 16 Ca 0.00 -1.49 -0.26 0.00 0.00 0.00 0.00 53.44 51.69 1xf3 n ALA 16 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 1xf3 n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xf3 s SER 17 N -4.63 2.96 0.00 0.00 0.01 -1.26 -2.17 113.70 108.61 1xf3 s SER 17 Ca 0.65 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1xf3 s SER 17 Cb -0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 1xf3 s SER 17 CO 0.48 0.11 -0.05 0.54 0.41 0.00 0.00 173.24 174.72 1xf3 s VAL 18 N -1.24 0.40 -0.14 3.43 0.11 -0.58 -5.00 120.40 117.39 1xf3 s VAL 18 Ca 0.12 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1xf3 s VAL 18 Cb -0.09 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1xf3 s VAL 18 CO 0.06 0.04 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.97 1xf3 s LYS 19 N -0.32 3.30 0.21 1.54 2.20 -1.26 -1.14 119.74 124.26 1xf3 s LYS 19 Ca 0.00 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.99 1xf3 s LYS 19 Cb -0.03 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 1xf3 s LYS 19 CO -0.00 0.14 -0.13 0.00 -0.36 0.00 0.00 175.35 175.00 1xf3 s MET 20 N 0.51 1.91 0.30 4.03 0.23 -0.15 -4.98 119.30 121.15 1xf3 s MET 20 Ca -0.10 -1.42 0.11 0.00 -1.03 0.00 0.00 55.69 53.24 1xf3 s MET 20 Cb -0.16 -2.03 -0.05 0.00 -1.53 0.00 0.00 34.83 31.06 1xf3 s MET 20 CO 0.04 0.40 -0.11 -1.54 -2.03 0.00 0.00 175.02 171.78 1xf3 s SER 21 N -3.02 3.90 -0.29 -1.18 1.04 -1.26 -1.55 113.70 111.34 1xf3 s SER 21 Ca 0.26 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1xf3 s SER 21 Cb -0.08 -0.45 0.12 0.00 0.10 0.00 0.00 66.02 65.71 1xf3 s SER 21 CO 0.15 -0.05 0.22 0.00 0.98 0.00 0.00 173.24 174.54 1xf3 s LYS 23 N 2.22 3.84 0.07 0.00 2.20 0.86 -1.38 119.74 127.55 1xf3 s LYS 23 Ca 0.09 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.76 1xf3 s LYS 23 Cb -0.15 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.35 1xf3 s LYS 23 CO -0.34 -0.65 0.67 0.00 -0.36 0.00 0.00 175.35 174.67 1xf3 s ALA 24 N 2.72 3.48 0.13 3.13 0.00 0.54 -1.36 121.76 130.39 1xf3 s ALA 24 Ca 0.26 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 1xf3 s ALA 24 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1xf3 s ALA 24 CO 0.13 0.24 0.02 -1.54 0.00 0.00 0.00 175.76 174.61 1xf3 s SER 25 N -0.64 0.63 0.00 0.00 1.04 -0.39 -4.81 113.70 109.53 1xf3 s SER 25 Ca 0.33 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1xf3 s SER 25 Cb -0.20 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1xf3 s SER 25 CO 0.21 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1xf3 n GLY 26 N -0.10 0.83 3.74 7.32 0.00 -1.26 -1.85 105.19 113.87 1xf3 n GLY 26 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1xf3 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 27 N -3.25 0.06 -0.38 1.61 1.13 -1.26 -4.36 117.35 110.90 1xf3 s TYR 27 Ca 0.00 -0.48 -0.29 0.00 -1.41 0.00 0.00 57.07 54.89 1xf3 s TYR 27 Cb 0.00 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1xf3 s TYR 27 CO 0.00 -1.14 1.46 0.99 -2.51 0.00 0.00 175.55 174.35 1xf3 s THR 28 N -3.93 3.86 0.19 -3.49 2.01 -1.26 -4.91 115.64 108.10 1xf3 s THR 28 Ca 0.16 0.89 -0.13 0.00 0.31 0.00 0.00 61.69 62.93 1xf3 s THR 28 Cb -0.04 -4.11 0.11 0.00 0.01 0.00 0.00 72.50 68.47 1xf3 s THR 28 CO 0.08 -0.67 1.72 0.15 -0.69 0.00 0.00 174.62 175.21 1xf3 h PHE 29 N 10.85 0.19 0.00 4.92 -0.00 -1.94 -2.58 116.94 128.38 1xf3 h PHE 29 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.71 1xf3 h PHE 29 Cb 1.11 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 1xf3 h PHE 29 CO 0.96 0.02 0.00 0.25 -0.00 0.00 0.00 178.31 179.53 1xf3 n THR 30 N -5.09 0.24 1.41 4.41 -2.24 -1.26 -3.25 114.28 108.51 1xf3 n THR 30 Ca 0.05 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 1xf3 n THR 30 Cb 0.24 -0.66 0.46 0.00 -2.10 0.00 0.00 70.33 68.27 1xf3 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xf3 n SER 31 N -1.32 1.61 -3.93 3.42 7.64 -0.97 -3.81 113.62 116.25 1xf3 n SER 31 Ca 0.11 -1.48 -0.13 0.00 1.01 0.00 0.00 58.87 58.37 1xf3 n SER 31 Cb 0.21 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.30 1xf3 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xf3 s TYR 32 N -2.06 0.24 0.66 1.43 1.51 -1.20 -4.90 117.35 113.02 1xf3 s TYR 32 Ca 0.35 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 56.13 1xf3 s TYR 32 Cb 0.21 -0.15 -0.00 0.00 -0.11 0.00 0.00 41.96 41.90 1xf3 s TYR 32 CO 0.36 -0.04 1.06 0.14 -1.11 0.00 0.00 175.55 175.96 1xf3 s VAL 33 N -0.38 3.83 -0.23 0.71 -7.23 -1.26 -4.44 120.40 111.39 1xf3 s VAL 33 Ca -0.03 0.71 0.02 0.00 -1.81 0.00 0.00 61.98 60.87 1xf3 s VAL 33 Cb -0.03 -3.33 0.05 0.00 0.56 0.00 0.00 36.38 33.64 1xf3 s VAL 33 CO -0.00 -0.66 -0.11 -0.32 -0.31 0.00 0.00 175.10 173.70 1xf3 s MET 34 N -4.60 2.15 0.36 4.82 1.75 -0.42 -0.38 119.30 122.98 1xf3 s MET 34 Ca 0.61 -1.11 -0.10 0.00 -1.25 0.00 0.00 55.69 53.84 1xf3 s MET 34 Cb -0.15 -2.69 -0.06 0.00 2.84 0.00 0.00 34.83 34.76 1xf3 s MET 34 CO 0.47 -0.51 0.71 -1.01 -0.65 0.00 0.00 175.02 174.04 1xf3 s HIS 35 N 1.24 3.46 0.05 4.11 3.76 0.38 -1.93 115.29 126.36 1xf3 s HIS 35 Ca -0.05 0.98 0.09 0.00 -0.15 0.00 0.00 55.06 55.92 1xf3 s HIS 35 Cb -0.18 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 1xf3 s HIS 35 CO -0.07 -0.01 -0.24 -1.58 -0.85 0.00 0.00 174.74 171.99 1xf3 s TRP 36 N -2.24 2.11 0.02 1.40 0.52 -0.40 -0.63 118.94 119.72 1xf3 s TRP 36 Ca 0.50 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1xf3 s TRP 36 Cb -0.10 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 1xf3 s TRP 36 CO 0.29 0.13 -0.06 0.08 0.02 0.00 0.00 176.95 177.40 1xf3 s VAL 37 N -0.82 0.46 -0.05 4.03 1.01 -0.01 -1.88 120.40 123.15 1xf3 s VAL 37 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1xf3 s VAL 37 Cb -0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1xf3 s VAL 37 CO 0.02 -0.17 -0.17 -0.75 0.00 0.00 0.00 175.10 174.03 1xf3 s LYS 38 N -0.94 2.48 -0.20 2.72 2.20 0.27 -0.40 119.74 125.86 1xf3 s LYS 38 Ca -0.05 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 1xf3 s LYS 38 Cb -0.06 -2.31 0.08 0.00 -1.51 0.00 0.00 37.83 34.02 1xf3 s LYS 38 CO 0.00 0.58 0.14 -1.14 -0.36 0.00 0.00 175.35 174.57 1xf3 s GLN 39 N -0.62 0.13 0.57 4.03 0.74 0.08 -1.06 119.66 123.53 1xf3 s GLN 39 Ca 0.09 -0.06 -0.19 0.00 0.05 0.00 0.00 55.36 55.25 1xf3 s GLN 39 Cb -0.11 -1.50 -0.04 0.00 1.10 0.00 0.00 33.01 32.46 1xf3 s GLN 39 CO 0.01 -0.73 1.19 0.15 -0.55 0.00 0.00 175.29 175.35 1xf3 s LYS 40 N 2.20 3.11 0.21 1.67 1.02 -1.26 -1.49 119.74 125.20 1xf3 s LYS 40 Ca 0.05 1.78 -0.31 0.00 0.02 0.00 0.00 55.97 57.50 1xf3 s LYS 40 Cb -0.16 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 1xf3 s LYS 40 CO -0.15 -1.08 1.62 -1.25 -0.92 0.00 0.00 175.35 173.56 1xf3 s PRO 41 N -3.29 4.17 0.00 -1.68 0.04 -1.26 -1.27 135.00 131.71 1xf3 s PRO 41 Ca 0.76 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.28 1xf3 s PRO 41 Cb -0.29 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1xf3 s PRO 41 CO 0.32 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1xf3 n GLY 42 N 3.42 0.28 1.22 0.56 0.00 -1.26 -4.99 105.19 104.42 1xf3 n GLY 42 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1xf3 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xf3 n GLN 43 N -1.11 1.56 -2.45 1.61 6.02 -0.40 -5.16 117.38 117.46 1xf3 n GLN 43 Ca 0.00 -1.23 -0.25 0.00 -0.01 0.00 0.00 57.00 55.52 1xf3 n GLN 43 Cb 0.22 0.31 0.14 0.00 1.02 0.00 0.00 30.24 31.93 1xf3 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xf3 n GLY 44 N 2.96 0.21 3.83 1.08 0.00 -1.26 -4.71 105.19 107.29 1xf3 n GLY 44 Ca -0.07 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 1xf3 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xf3 s LEU 45 N 0.00 4.37 -0.06 0.99 1.43 -1.26 -4.25 118.68 119.91 1xf3 s LEU 45 Ca 0.69 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1xf3 s LEU 45 Cb -0.03 -3.34 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1xf3 s LEU 45 CO 0.46 0.10 -0.01 -0.70 0.23 0.00 0.00 176.35 176.44 1xf3 s GLU 46 N -1.83 0.56 -0.08 1.70 2.12 -0.22 -4.99 118.70 115.97 1xf3 s GLU 46 Ca 0.39 0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 1xf3 s GLU 46 Cb -0.16 -0.82 -0.02 0.00 0.26 0.00 0.00 34.13 33.39 1xf3 s GLU 46 CO 0.20 -0.22 1.02 -0.46 -0.54 0.00 0.00 175.26 175.26 1xf3 s TRP 47 N 1.55 3.51 -0.20 5.30 -0.00 -1.26 -0.56 118.94 127.27 1xf3 s TRP 47 Ca -0.02 1.57 -0.18 0.00 -0.00 0.00 0.00 56.10 57.48 1xf3 s TRP 47 Cb -0.13 -3.20 -0.14 0.00 -0.00 0.00 0.00 33.47 29.99 1xf3 s TRP 47 CO -0.03 -0.30 0.03 -0.89 -0.00 0.00 0.00 176.95 175.76 1xf3 n ILE 48 N 4.43 1.51 -0.90 5.86 5.41 -0.79 -4.66 119.36 130.23 1xf3 n ILE 48 Ca 0.08 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1xf3 n ILE 48 Cb 0.49 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1xf3 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xf3 n GLY 49 N 1.45 -1.78 3.14 7.39 0.00 -1.24 -0.74 105.19 113.41 1xf3 n GLY 49 Ca -0.30 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1xf3 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 50 N -2.26 0.73 0.05 1.61 -0.85 -0.53 -1.28 117.35 114.82 1xf3 s TYR 50 Ca 0.00 -1.15 0.07 0.00 -0.52 0.00 0.00 57.07 55.47 1xf3 s TYR 50 Cb 0.00 -0.43 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 1xf3 s TYR 50 CO 0.00 -0.49 -0.20 -1.50 -1.52 0.00 0.00 175.55 171.84 1xf3 s ILE 51 N -4.00 1.61 -0.50 -3.49 2.07 -0.81 -2.06 121.20 114.02 1xf3 s ILE 51 Ca 0.18 -1.21 -0.16 0.00 -1.41 0.00 0.00 60.65 58.06 1xf3 s ILE 51 Cb 0.07 -1.41 0.10 0.00 0.13 0.00 0.00 42.46 41.35 1xf3 s ILE 51 CO -0.02 0.16 0.44 0.21 -1.91 0.00 0.00 174.94 173.83 1xf3 s ASN 52 N -1.24 6.17 0.51 4.50 3.84 0.53 -1.30 114.94 127.95 1xf3 s ASN 52 Ca 0.07 -1.53 0.15 0.00 0.21 0.00 0.00 52.86 51.76 1xf3 s ASN 52 Cb -0.09 -2.20 1.22 0.00 -0.55 0.00 0.00 41.25 39.64 1xf3 s ASN 52 CO 0.02 -0.74 2.13 -0.65 -2.79 0.00 0.00 177.10 175.07 1xf3 h PRO 52 N 8.82 0.04 -0.50 0.43 0.11 -1.85 0.56 132.00 139.61 1xf3 h PRO 52 Ca -0.29 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.92 1xf3 h PRO 52 Cb 1.11 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 1xf3 h PRO 52 CO 0.95 0.04 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.67 1xf3 h TYR 53 N 0.04 -0.45 0.00 0.65 5.03 -1.89 -3.26 116.97 117.10 1xf3 h TYR 53 Ca 0.01 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1xf3 h TYR 53 Cb 0.01 0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1xf3 h TYR 53 CO 0.00 -0.27 -0.14 0.27 -1.32 0.00 0.00 178.16 176.70 1xf3 n ASN 54 N -5.39 1.35 -1.57 -2.11 0.23 -1.02 -5.01 115.26 101.73 1xf3 n ASN 54 Ca 0.04 -2.34 -0.16 0.00 -0.53 0.00 0.00 54.58 51.59 1xf3 n ASN 54 Cb 0.30 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.70 1xf3 n ASN 54 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xf3 n ASP 55 N -0.70 -4.28 -4.77 0.53 10.43 0.19 -4.96 116.55 112.98 1xf3 n ASP 55 Ca 0.07 0.36 -0.38 0.00 2.57 0.00 0.00 54.79 57.41 1xf3 n ASP 55 Cb 0.57 -3.86 -0.02 0.00 1.84 0.00 0.00 41.12 39.64 1xf3 n ASP 55 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1xf3 s GLY 56 N -2.32 2.82 0.09 0.44 0.00 -1.15 -4.75 107.32 102.45 1xf3 s GLY 56 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 44.72 45.67 1xf3 s GLY 56 CO 0.00 1.36 -0.19 -0.51 0.00 0.00 0.00 173.10 173.76 1xf3 s THR 57 N -1.50 1.50 0.00 0.90 -4.23 -1.26 -0.35 115.64 110.70 1xf3 s THR 57 Ca 0.58 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1xf3 s THR 57 Cb -0.28 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1xf3 s THR 57 CO 0.35 -0.09 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.70 1xf3 s LYS 58 N -1.79 0.72 0.02 3.99 3.01 -0.87 -5.01 119.74 119.81 1xf3 s LYS 58 Ca 0.04 -0.39 0.07 0.00 -1.01 0.00 0.00 55.97 54.68 1xf3 s LYS 58 Cb -0.10 -0.69 -0.02 0.00 -1.01 0.00 0.00 37.83 36.01 1xf3 s LYS 58 CO 0.03 0.18 -0.21 0.71 0.51 0.00 0.00 175.35 176.58 1xf3 s TYR 59 N -0.35 1.85 0.06 3.18 2.02 -1.26 -1.45 117.35 121.39 1xf3 s TYR 59 Ca 0.02 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 1xf3 s TYR 59 Cb -0.04 -1.13 -0.09 0.00 -0.40 0.00 0.00 41.96 40.29 1xf3 s TYR 59 CO -0.00 0.05 1.96 -1.71 -1.57 0.00 0.00 175.55 174.28 1xf3 n ASN 60 N 2.08 4.17 -0.34 2.29 2.85 0.09 -4.88 115.26 121.52 1xf3 n ASN 60 Ca -0.16 0.92 0.26 0.00 -0.11 0.00 0.00 54.58 55.48 1xf3 n ASN 60 Cb 0.53 -1.53 0.50 0.00 1.24 0.00 0.00 39.78 40.52 1xf3 n ASN 60 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1xf3 h GLU 61 N 10.27 0.27 0.00 1.20 4.57 -1.95 0.14 114.58 129.08 1xf3 h GLU 61 Ca -0.49 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1xf3 h GLU 61 Cb 1.24 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1xf3 h GLU 61 CO 0.94 0.18 -0.05 -0.22 -1.18 0.00 0.00 179.01 178.68 1xf3 h LYS 62 N 0.28 0.00 -0.15 1.92 3.64 -1.95 -2.71 116.57 117.61 1xf3 h LYS 62 Ca 0.75 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 1xf3 h LYS 62 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1xf3 h LYS 62 CO -0.60 0.05 0.00 1.19 -2.27 0.00 0.00 179.45 177.83 1xf3 n PHE 63 N -3.49 0.18 -1.95 1.91 3.72 0.48 -4.87 117.46 113.45 1xf3 n PHE 63 Ca -0.02 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 1xf3 n PHE 63 Cb 0.17 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1xf3 n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xf3 s LYS 64 N -1.47 4.22 0.00 -1.08 1.02 -1.02 -1.57 119.74 119.84 1xf3 s LYS 64 Ca 0.26 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.59 1xf3 s LYS 64 Cb 0.17 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1xf3 s LYS 64 CO 0.25 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1xf3 n GLY 65 N 3.81 3.26 0.13 -3.33 0.00 -1.26 -4.83 105.19 102.98 1xf3 n GLY 65 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1xf3 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xf3 n LYS 66 N -1.41 0.62 -5.13 1.61 3.00 -0.66 -4.85 118.16 111.34 1xf3 n LYS 66 Ca 0.00 0.25 -0.31 0.00 -0.00 0.00 0.00 58.31 58.25 1xf3 n LYS 66 Cb 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 35.03 33.34 1xf3 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xf3 s ALA 67 N -2.50 2.26 -0.05 3.14 0.00 -0.61 -4.10 121.76 119.90 1xf3 s ALA 67 Ca -0.36 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1xf3 s ALA 67 Cb 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1xf3 s ALA 67 CO 0.55 0.54 -0.04 0.99 0.00 0.00 0.00 175.76 177.80 1xf3 s THR 68 N -0.69 0.52 -0.08 0.00 2.01 -0.07 -4.76 115.64 112.57 1xf3 s THR 68 Ca 0.11 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1xf3 s THR 68 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1xf3 s THR 68 CO 0.00 0.23 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.31 1xf3 s LEU 69 N 1.11 2.96 0.28 4.42 1.43 -1.26 -0.80 118.68 126.82 1xf3 s LEU 69 Ca -0.08 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1xf3 s LEU 69 Cb -0.14 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1xf3 s LEU 69 CO -0.01 0.30 0.11 0.42 0.23 0.00 0.00 176.35 177.40 1xf3 s THR 70 N -0.43 0.53 -0.10 5.49 -4.23 -0.54 -5.01 115.64 111.36 1xf3 s THR 70 Ca 0.06 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 1xf3 s THR 70 Cb -0.12 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1xf3 s THR 70 CO 0.02 0.00 0.25 -0.55 -0.54 0.00 0.00 174.62 173.81 1xf3 s SER 71 N -3.35 -0.27 -0.37 3.99 0.15 -1.26 -1.58 113.70 111.01 1xf3 s SER 71 Ca 0.37 0.53 0.03 0.00 0.70 0.00 0.00 55.95 57.58 1xf3 s SER 71 Cb 0.07 0.47 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 1xf3 s SER 71 CO 0.15 -0.13 0.10 -0.62 1.20 0.00 0.00 173.24 173.94 1xf3 s ASP 72 N 0.72 4.52 0.29 5.45 3.68 0.12 -5.01 116.67 126.42 1xf3 s ASP 72 Ca -0.05 -2.23 -0.03 0.00 2.13 0.00 0.00 52.55 52.37 1xf3 s ASP 72 Cb -0.06 -1.47 0.40 0.00 -1.45 0.00 0.00 42.92 40.34 1xf3 s ASP 72 CO -0.04 -0.36 1.95 0.11 0.13 0.00 0.00 175.17 176.96 1xf3 h LYS 73 N 7.47 1.14 0.00 4.34 1.57 -1.91 -2.66 116.57 126.52 1xf3 h LYS 73 Ca -0.06 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1xf3 h LYS 73 Cb 0.99 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1xf3 h LYS 73 CO 0.54 0.76 -0.17 0.66 -0.57 0.00 0.00 179.45 180.67 1xf3 h SER 74 N 1.18 0.00 -0.32 0.86 4.64 -1.95 -2.70 113.55 115.25 1xf3 h SER 74 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1xf3 h SER 74 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1xf3 h SER 74 CO -0.08 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 1xf3 n SER 75 N -4.31 2.93 -3.84 4.97 3.41 -1.06 -4.98 113.62 110.74 1xf3 n SER 75 Ca -0.02 -1.87 -0.27 0.00 -0.26 0.00 0.00 58.87 56.44 1xf3 n SER 75 Cb 0.23 -0.21 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1xf3 n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf3 n SER 76 N 0.88 -4.05 -3.97 4.04 7.64 -1.02 -4.79 113.62 112.35 1xf3 n SER 76 Ca 0.13 -0.77 -0.25 0.00 1.01 0.00 0.00 58.87 59.00 1xf3 n SER 76 Cb 0.45 -4.03 -0.17 0.00 -1.01 0.00 0.00 64.21 59.46 1xf3 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf3 s THR 77 N -3.39 1.05 0.02 0.44 2.01 -1.03 -0.34 115.64 114.39 1xf3 s THR 77 Ca 0.49 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1xf3 s THR 77 Cb -0.24 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1xf3 s THR 77 CO 0.82 0.35 0.17 0.00 -0.69 0.00 0.00 174.62 175.26 1xf3 s ALA 78 N 1.07 3.88 0.04 7.40 0.00 -0.48 -0.71 121.76 132.96 1xf3 s ALA 78 Ca -0.07 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1xf3 s ALA 78 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1xf3 s ALA 78 CO -0.01 0.77 -0.15 0.71 0.00 0.00 0.00 175.76 177.08 1xf3 s TYR 79 N -1.38 1.32 -0.06 0.00 2.02 -0.62 -0.08 117.35 118.55 1xf3 s TYR 79 Ca 0.30 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1xf3 s TYR 79 Cb -0.13 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1xf3 s TYR 79 CO 0.22 0.04 -0.12 1.41 -1.57 0.00 0.00 175.55 175.53 1xf3 s MET 80 N -1.14 1.58 -0.14 -0.62 -2.45 -0.59 -1.46 119.30 114.48 1xf3 s MET 80 Ca 0.03 -0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.05 1xf3 s MET 80 Cb -0.08 -1.33 -0.02 0.00 1.25 0.00 0.00 34.83 34.65 1xf3 s MET 80 CO 0.01 0.06 -0.11 -2.00 1.05 0.00 0.00 175.02 174.04 1xf3 s GLU 81 N 0.54 3.44 0.40 4.11 2.12 0.02 -0.98 118.70 128.35 1xf3 s GLU 81 Ca -0.12 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.64 1xf3 s GLU 81 Cb -0.14 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1xf3 s GLU 81 CO 0.03 0.19 0.36 -0.51 -0.54 0.00 0.00 175.26 174.78 1xf3 s LEU 82 N 0.44 3.45 -0.60 2.70 1.43 -0.29 -0.89 118.68 124.91 1xf3 s LEU 82 Ca -0.08 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1xf3 s LEU 82 Cb -0.15 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1xf3 s LEU 82 CO 0.04 -0.58 0.08 -1.20 0.23 0.00 0.00 176.35 174.93 1xf3 n SER 82 N -1.50 -0.05 -4.77 2.29 7.64 -1.09 -1.53 113.62 114.60 1xf3 n SER 82 Ca 0.02 -0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.04 1xf3 n SER 82 Cb 0.61 -0.57 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 1xf3 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xf3 s LEU 82 N -4.03 4.34 0.23 -3.43 1.43 -0.92 -4.55 118.68 111.75 1xf3 s LEU 82 Ca 0.12 2.96 -0.04 0.00 -1.03 0.00 0.00 54.13 56.14 1xf3 s LEU 82 Cb -0.07 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xf3 s LEU 82 CO 0.36 -0.83 0.26 0.28 0.23 0.00 0.00 176.35 176.65 1xf3 s THR 83 N -0.79 0.00 0.41 5.49 -1.32 -1.26 0.02 115.64 118.18 1xf3 s THR 83 Ca 0.55 -1.80 0.12 0.00 -1.21 0.00 0.00 61.69 59.35 1xf3 s THR 83 Cb -0.46 -2.42 0.33 0.00 -1.51 0.00 0.00 72.50 68.44 1xf3 s THR 83 CO 0.57 0.00 1.95 0.28 -2.21 0.00 0.00 174.62 175.21 1xf3 h SER 84 N 2.45 0.46 0.32 8.08 0.02 -1.95 -0.55 113.55 122.39 1xf3 h SER 84 Ca -0.32 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1xf3 h SER 84 Cb 1.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xf3 h SER 84 CO 0.46 0.27 0.00 -0.33 -1.14 0.00 0.00 176.83 176.09 1xf3 h GLU 85 N 0.51 0.00 0.00 3.45 4.39 -1.97 -1.30 114.58 119.66 1xf3 h GLU 85 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1xf3 h GLU 85 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1xf3 h GLU 85 CO -0.11 0.00 -0.12 -0.25 -1.16 0.00 0.00 179.01 177.37 1xf3 n ASP 86 N -2.48 0.43 -4.67 1.42 10.43 -0.21 -4.84 116.55 116.63 1xf3 n ASP 86 Ca -0.00 0.41 -0.42 0.00 2.57 0.00 0.00 54.79 57.34 1xf3 n ASP 86 Cb 0.13 -0.46 -0.03 0.00 1.84 0.00 0.00 41.12 42.60 1xf3 n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xf3 s SER 87 N -3.70 6.60 0.00 -2.24 0.01 -0.49 -4.87 113.70 109.01 1xf3 s SER 87 Ca 0.12 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.80 1xf3 s SER 87 Cb 0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1xf3 s SER 87 CO 0.59 -0.93 0.00 0.00 0.41 0.00 0.00 173.24 173.31 1xf3 n ALA 88 N 6.52 0.00 -2.64 1.44 0.00 -0.64 -4.69 120.51 120.50 1xf3 n ALA 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1xf3 n ALA 88 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1xf3 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xf3 s VAL 89 N -2.00 5.12 -0.09 0.00 1.01 -0.56 -1.19 120.40 122.70 1xf3 s VAL 89 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1xf3 s VAL 89 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1xf3 s VAL 89 CO 0.00 0.40 -0.11 -0.31 0.00 0.00 0.00 175.10 175.08 1xf3 s TYR 90 N 0.12 2.83 0.06 5.22 2.02 0.19 -0.75 117.35 127.05 1xf3 s TYR 90 Ca 0.25 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1xf3 s TYR 90 Cb -0.16 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1xf3 s TYR 90 CO 0.11 0.11 -0.18 0.71 -1.57 0.00 0.00 175.55 174.73 1xf3 s TYR 91 N -0.38 2.55 -0.03 2.71 2.02 0.46 -0.19 117.35 124.50 1xf3 s TYR 91 Ca 0.05 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1xf3 s TYR 91 Cb -0.12 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1xf3 s TYR 91 CO 0.02 0.29 0.17 0.00 -1.57 0.00 0.00 175.55 174.46 1xf3 s VAL 93 N -1.26 -0.10 0.33 0.00 1.01 0.20 -1.42 120.40 119.15 1xf3 s VAL 93 Ca 0.25 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1xf3 s VAL 93 Cb -0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 36.38 36.01 1xf3 s VAL 93 CO 0.16 0.15 1.47 -0.60 0.00 0.00 0.00 175.10 176.28 1xf3 s ARG 94 N 1.86 4.18 0.78 2.72 3.52 -0.14 -0.47 118.95 131.40 1xf3 s ARG 94 Ca 0.01 2.46 -0.09 0.00 -0.13 0.00 0.00 55.73 57.99 1xf3 s ARG 94 Cb -0.12 -3.02 0.10 0.00 -1.56 0.00 0.00 34.95 30.35 1xf3 s ARG 94 CO -0.03 -0.48 1.11 0.20 -0.81 0.00 0.00 175.30 175.29 1xf3 s GLY 95 N 0.03 1.70 0.00 8.12 0.00 0.49 -1.16 107.32 116.51 1xf3 s GLY 95 Ca 0.56 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1xf3 s GLY 95 CO 0.54 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1xf3 n GLY 96 N -3.16 0.81 1.68 0.20 0.00 0.12 -4.60 105.19 100.24 1xf3 n GLY 96 Ca 0.11 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1xf3 n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xf3 n TYR 97 N -0.53 -0.90 -1.38 1.61 0.53 -1.26 -4.58 117.16 110.64 1xf3 n TYR 97 Ca 0.00 -1.04 -0.39 0.00 -1.02 0.00 0.00 57.90 55.44 1xf3 n TYR 97 Cb 0.00 -0.19 0.02 0.00 -1.03 0.00 0.00 39.34 38.14 1xf3 n TYR 97 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1xf3 n ARG 98 N -1.01 0.31 -1.71 -0.72 1.74 -1.26 -2.46 116.66 111.55 1xf3 n ARG 98 Ca -0.02 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.00 1xf3 n ARG 98 Cb 0.28 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1xf3 n ARG 98 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xf3 n PRO 99 N 0.71 -1.27 0.00 5.56 -0.06 -1.26 -5.12 135.00 133.56 1xf3 n PRO 99 Ca 0.10 1.06 0.00 0.00 -0.06 0.00 0.00 63.50 64.60 1xf3 n PRO 99 Cb 0.45 -5.37 0.00 0.00 -0.06 0.00 0.00 33.50 28.52 1xf3 n PRO 99 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 175.50 176.42 1xf3 n TYR 100 N -2.85 0.00 -2.35 0.54 9.36 -1.03 -5.21 117.16 115.62 1xf3 n TYR 100 Ca -0.18 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.74 1xf3 n TYR 100 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1xf3 n TYR 100 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xf3 s ALA 100 N -0.17 3.27 -0.25 2.98 0.00 -1.26 -4.46 121.76 121.88 1xf3 s ALA 100 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 1xf3 s ALA 100 Cb 0.00 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1xf3 s ALA 100 CO 0.00 -0.45 0.71 -1.64 0.00 0.00 0.00 175.76 174.38 1xf3 s MET 100 N -4.83 4.14 -0.09 0.00 1.00 -1.26 0.16 119.30 118.43 1xf3 s MET 100 Ca 0.51 0.71 -0.10 0.00 0.00 0.00 0.00 55.69 56.81 1xf3 s MET 100 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 34.83 31.05 1xf3 s MET 100 CO 0.47 -0.45 -0.19 -0.40 0.00 0.00 0.00 175.02 174.45 1xf3 n ASP 101 N 5.80 1.18 -4.67 3.03 3.85 -0.31 -4.96 116.55 120.47 1xf3 n ASP 101 Ca 0.02 0.20 -0.35 0.00 -0.71 0.00 0.00 54.79 53.95 1xf3 n ASP 101 Cb 0.48 -0.58 -0.09 0.00 -1.35 0.00 0.00 41.12 39.58 1xf3 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1xf3 s TYR 102 N -2.15 3.31 -0.10 2.11 1.51 -1.25 -4.94 117.35 115.85 1xf3 s TYR 102 Ca -0.16 0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.04 1xf3 s TYR 102 Cb 0.02 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1xf3 s TYR 102 CO 0.23 0.22 0.04 -1.58 -1.11 0.00 0.00 175.55 173.35 1xf3 s TRP 103 N 0.33 3.29 1.04 2.71 0.52 -1.26 -0.97 118.94 124.59 1xf3 s TRP 103 Ca 0.05 0.28 -0.13 0.00 0.02 0.00 0.00 56.10 56.32 1xf3 s TRP 103 Cb -0.12 -1.84 0.21 0.00 -1.15 0.00 0.00 33.47 30.58 1xf3 s TRP 103 CO -0.01 0.54 1.09 0.20 0.02 0.00 0.00 176.95 178.79 1xf3 s GLY 104 N -0.90 1.56 0.19 0.98 0.00 -0.51 -4.74 107.32 103.91 1xf3 s GLY 104 Ca 0.14 -0.43 0.25 0.00 0.00 0.00 0.00 44.72 44.67 1xf3 s GLY 104 CO 0.03 0.23 1.75 0.61 0.00 0.00 0.00 173.10 175.71 1xf3 n GLN 105 N -4.32 0.20 0.00 2.90 -0.00 -1.25 -4.84 117.38 110.07 1xf3 n GLN 105 Ca 0.06 0.27 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 1xf3 n GLN 105 Cb 0.57 -1.78 0.00 0.00 -0.00 0.00 0.00 30.24 29.03 1xf3 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xf3 n GLY 106 N 0.77 0.03 2.97 2.61 0.00 -1.26 -5.02 105.19 105.29 1xf3 n GLY 106 Ca 0.04 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 1xf3 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf3 s THR 107 N -2.97 1.23 0.02 2.61 2.01 0.74 -4.87 115.64 114.41 1xf3 s THR 107 Ca 0.00 -0.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 1xf3 s THR 107 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1xf3 s THR 107 CO 0.00 0.40 0.82 -0.55 -0.69 0.00 0.00 174.62 174.60 1xf3 s SER 108 N 1.39 7.22 -0.11 3.53 0.15 -1.26 -0.63 113.70 123.99 1xf3 s SER 108 Ca 0.00 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1xf3 s SER 108 Cb -0.13 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1xf3 s SER 108 CO -0.06 -0.08 -0.11 -0.69 1.20 0.00 0.00 173.24 173.50 1xf3 s VAL 109 N 0.39 1.21 -0.11 4.45 1.01 -0.33 -0.68 120.40 126.34 1xf3 s VAL 109 Ca 0.42 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1xf3 s VAL 109 Cb -0.20 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1xf3 s VAL 109 CO 0.24 0.39 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 1xf3 s THR 110 N 1.44 2.58 -0.25 3.92 2.01 -0.55 -1.63 115.64 123.17 1xf3 s THR 110 Ca 0.01 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1xf3 s THR 110 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1xf3 s THR 110 CO -0.07 0.54 0.09 -0.69 -0.69 0.00 0.00 174.62 173.81 1xf3 s VAL 111 N 0.28 4.50 -0.05 3.82 1.01 -1.26 -1.27 120.40 127.44 1xf3 s VAL 111 Ca -0.13 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1xf3 s VAL 111 Cb -0.17 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1xf3 s VAL 111 CO 0.07 0.34 0.53 -0.55 0.00 0.00 0.00 175.10 175.49 1xf3 s SER 112 N 1.51 -0.48 0.00 3.32 0.15 0.22 -4.78 113.70 113.64 1xf3 s SER 112 Ca 0.06 0.51 0.29 0.00 0.70 0.00 0.00 55.95 57.51 1xf3 s SER 112 Cb -0.15 0.50 1.27 0.00 -1.71 0.00 0.00 66.02 65.93 1xf3 s SER 112 CO 0.05 -0.52 1.92 -1.54 1.20 0.00 0.00 173.24 174.35 1xf3 n SER 113 N 1.19 0.09 -4.77 5.45 3.41 -1.26 -3.80 113.62 113.93 1xf3 n SER 113 Ca -0.20 0.11 -0.39 0.00 -0.26 0.00 0.00 58.87 58.14 1xf3 n SER 113 Cb 0.57 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1xf3 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf3 s ALA 114 N -2.80 3.27 0.68 7.33 0.00 -1.26 -5.05 121.76 123.93 1xf3 s ALA 114 Ca 0.20 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 1xf3 s ALA 114 Cb 0.19 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1xf3 s ALA 114 CO 0.52 -0.51 1.01 0.15 0.00 0.00 0.00 175.76 176.93 1xf3 s LYS 115 N -2.05 2.53 -0.25 0.00 1.02 -1.26 -4.99 119.74 114.74 1xf3 s LYS 115 Ca 0.53 0.00 -0.39 0.00 0.02 0.00 0.00 55.97 56.14 1xf3 s LYS 115 Cb -0.33 -2.15 -0.15 0.00 -0.52 0.00 0.00 37.83 34.68 1xf3 s LYS 115 CO 0.43 -1.07 1.80 2.41 -0.92 0.00 0.00 175.35 178.00 1xf3 n THR 116 N -2.87 0.37 -4.18 2.17 -1.04 -1.26 -4.69 114.28 102.77 1xf3 n THR 116 Ca 0.07 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 1xf3 n THR 116 Cb 0.59 -1.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.55 1xf3 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xf3 s THR 117 N 3.84 0.78 0.65 12.58 2.01 -0.07 -4.95 115.64 130.48 1xf3 s THR 117 Ca 0.98 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.61 1xf3 s THR 117 Cb -0.99 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1xf3 s THR 117 CO 0.62 0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 173.78 1xf3 s PRO 118 N 1.14 2.91 0.35 4.92 0.04 -1.26 -1.40 135.00 141.70 1xf3 s PRO 118 Ca -0.07 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 1xf3 s PRO 118 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1xf3 s PRO 118 CO -0.01 -1.15 1.05 -1.25 0.04 0.00 0.00 177.00 175.68 1xf3 s PRO 119 N -4.20 4.38 0.00 0.56 0.04 -1.26 -4.40 135.00 130.13 1xf3 s PRO 119 Ca 0.65 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1xf3 s PRO 119 Cb -0.19 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 1xf3 s PRO 119 CO 0.42 0.04 0.69 -1.12 0.04 0.00 0.00 177.00 177.07 1xf3 s SER 120 N -1.35 7.08 -0.25 6.66 0.01 -0.19 -4.94 113.70 120.72 1xf3 s SER 120 Ca 0.52 1.30 -0.01 0.00 1.31 0.00 0.00 55.95 59.07 1xf3 s SER 120 Cb -0.25 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1xf3 s SER 120 CO 0.31 0.02 -0.07 -0.69 0.41 0.00 0.00 173.24 173.22 1xf3 s VAL 121 N 0.08 2.73 -0.15 3.43 1.01 -1.26 -1.10 120.40 125.14 1xf3 s VAL 121 Ca 0.36 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1xf3 s VAL 121 Cb -0.19 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1xf3 s VAL 121 CO 0.20 0.13 -0.08 -0.31 0.00 0.00 0.00 175.10 175.05 1xf3 s TYR 122 N 1.28 2.92 0.41 5.22 4.12 0.24 -4.97 117.35 126.56 1xf3 s TYR 122 Ca -0.02 -0.53 -0.23 0.00 0.02 0.00 0.00 57.07 56.31 1xf3 s TYR 122 Cb -0.17 -1.93 -0.09 0.00 -1.52 0.00 0.00 41.96 38.25 1xf3 s TYR 122 CO -0.05 -0.18 1.04 -1.25 0.02 0.00 0.00 175.55 175.14 1xf3 s PRO 123 N 0.50 4.12 -0.30 -1.71 0.04 -1.26 -0.90 135.00 135.49 1xf3 s PRO 123 Ca -0.06 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1xf3 s PRO 123 Cb -0.15 -2.47 0.08 0.00 0.04 0.00 0.00 34.50 32.00 1xf3 s PRO 123 CO 0.03 -0.17 -0.01 -0.51 0.04 0.00 0.00 177.00 176.38 1xf3 s LEU 124 N -2.77 3.90 0.10 -3.56 1.43 0.12 -4.85 118.68 113.05 1xf3 s LEU 124 Ca 0.59 -1.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.02 1xf3 s LEU 124 Cb -0.21 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1xf3 s LEU 124 CO 0.26 -0.30 -0.18 0.00 0.23 0.00 0.00 176.35 176.35 1xf3 s ALA 125 N 1.08 2.65 0.34 4.21 0.00 -1.26 -1.69 121.76 127.09 1xf3 s ALA 125 Ca 0.02 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1xf3 s ALA 125 Cb -0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 23.12 22.15 1xf3 s ALA 125 CO -0.08 0.59 1.41 -1.25 0.00 0.00 0.00 175.76 176.43 1xf3 s PRO 126 N -1.95 4.23 0.00 0.00 0.04 -1.26 -4.93 135.00 131.13 1xf3 s PRO 126 Ca 0.17 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1xf3 s PRO 126 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1xf3 s PRO 126 CO 0.09 -0.38 0.46 0.41 0.04 0.00 0.00 177.00 177.62 1xf3 n GLY 127 N 0.84 -3.01 2.66 0.56 0.00 -1.26 -4.49 105.19 100.48 1xf3 n GLY 127 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1xf3 n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf3 s SER 128 N -2.19 -0.08 0.00 1.61 0.15 -1.26 -4.83 113.70 107.10 1xf3 s SER 128 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1xf3 s SER 128 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1xf3 s SER 128 CO 0.00 -0.00 0.00 0.00 1.20 0.00 0.00 173.24 174.44 1xf3 n ALA 129 N 2.69 0.22 0.00 5.45 0.00 -1.26 -5.30 120.51 122.30 1xf3 n ALA 129 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xf3 n ALA 129 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1xf3 n ALA 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xf3 n SER 134 N -0.49 0.00 -4.17 0.00 7.64 -1.26 -5.17 113.62 110.16 1xf3 n SER 134 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1xf3 n SER 134 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1xf3 n SER 134 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1xf3 s MET 135 N 0.00 1.32 -0.07 1.43 1.00 -1.26 -1.00 119.30 120.72 1xf3 s MET 135 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 55.69 55.04 1xf3 s MET 135 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 34.83 33.50 1xf3 s MET 135 CO 0.00 0.35 -0.21 0.54 0.00 0.00 0.00 175.02 175.70 1xf3 s VAL 136 N -0.54 2.45 -0.18 -6.03 0.11 -0.08 -4.74 120.40 111.40 1xf3 s VAL 136 Ca 0.06 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.11 1xf3 s VAL 136 Cb -0.07 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1xf3 s VAL 136 CO 0.00 0.57 0.07 -0.89 -3.33 0.00 0.00 175.10 171.52 1xf3 s THR 137 N -0.23 4.84 0.48 5.04 2.01 -1.26 -1.87 115.64 124.65 1xf3 s THR 137 Ca -0.01 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1xf3 s THR 137 Cb -0.13 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1xf3 s THR 137 CO 0.03 0.47 0.02 -0.76 -0.69 0.00 0.00 174.62 173.70 1xf3 s LEU 138 N 0.24 2.29 0.09 4.42 1.43 -0.17 -4.65 118.68 122.31 1xf3 s LEU 138 Ca 0.04 -1.63 -0.27 0.00 -1.03 0.00 0.00 54.13 51.24 1xf3 s LEU 138 Cb -0.12 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.55 1xf3 s LEU 138 CO 0.00 -0.83 1.05 -0.83 0.23 0.00 0.00 176.35 175.97 1xf3 s GLY 139 N -3.82 -0.30 -0.03 -3.19 0.00 -0.68 -1.11 107.32 98.19 1xf3 s GLY 139 Ca 0.11 0.39 0.03 0.00 0.00 0.00 0.00 44.72 45.25 1xf3 s GLY 139 CO 0.06 0.07 -0.12 0.00 0.00 0.00 0.00 173.10 173.11 1xf3 s LEU 141 N 0.14 3.60 -0.35 0.00 2.96 -0.08 -1.87 118.68 123.07 1xf3 s LEU 141 Ca -0.03 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1xf3 s LEU 141 Cb -0.10 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.70 1xf3 s LEU 141 CO 0.01 0.00 0.11 -0.69 -1.32 0.00 0.00 176.35 174.46 1xf3 s VAL 142 N 1.40 3.36 0.18 1.68 1.01 0.18 -0.59 120.40 127.63 1xf3 s VAL 142 Ca 0.06 -1.54 0.10 0.00 0.00 0.00 0.00 61.98 60.60 1xf3 s VAL 142 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1xf3 s VAL 142 CO 0.04 -0.34 -0.21 -0.54 0.00 0.00 0.00 175.10 174.05 1xf3 s LYS 143 N 1.27 1.41 -0.48 2.72 1.02 -0.25 -1.11 119.74 124.31 1xf3 s LYS 143 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1xf3 s LYS 143 Cb -0.21 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1xf3 s LYS 143 CO -0.01 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1xf3 n GLY 144 N 0.27 0.32 3.67 -3.33 0.00 -0.59 -1.02 105.19 104.51 1xf3 n GLY 144 Ca -0.13 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 1xf3 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf3 s TYR 145 N -2.25 2.77 -0.22 1.61 1.13 -1.19 -4.65 117.35 114.55 1xf3 s TYR 145 Ca 0.00 -0.20 -0.25 0.00 -1.41 0.00 0.00 57.07 55.21 1xf3 s TYR 145 Cb 0.00 -1.24 0.07 0.00 -1.10 0.00 0.00 41.96 39.69 1xf3 s TYR 145 CO 0.00 0.60 0.67 0.12 -2.51 0.00 0.00 175.55 174.43 1xf3 s PHE 146 N -2.25 -0.72 0.05 -3.49 5.36 -0.49 -0.78 117.98 115.66 1xf3 s PHE 146 Ca 0.31 1.68 -0.00 0.00 -0.96 0.00 0.00 56.93 57.96 1xf3 s PHE 146 Cb -0.07 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1xf3 s PHE 146 CO 0.21 -0.40 0.08 -0.35 -1.46 0.00 0.00 175.22 173.29 1xf3 n PRO 147 N 2.38 0.52 -1.55 10.12 -0.04 -1.26 -0.90 135.00 144.27 1xf3 n PRO 147 Ca -0.15 -0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 62.80 1xf3 n PRO 147 Cb 0.56 -0.05 0.06 0.00 -0.04 0.00 0.00 33.50 34.02 1xf3 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf3 s GLU 148 N -2.63 2.69 0.39 0.54 0.41 -1.26 -4.67 118.70 114.17 1xf3 s GLU 148 Ca 0.05 1.17 0.04 0.00 -0.41 0.00 0.00 54.97 55.81 1xf3 s GLU 148 Cb -0.00 -1.95 -0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1xf3 s GLU 148 CO 0.03 -1.31 0.56 -1.25 -0.49 0.00 0.00 175.26 172.81 1xf3 s PRO 149 N -4.65 3.07 -0.00 0.39 0.04 -1.26 -4.99 135.00 127.59 1xf3 s PRO 149 Ca 0.62 -0.81 0.05 0.00 0.04 0.00 0.00 61.00 60.91 1xf3 s PRO 149 Cb -0.17 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1xf3 s PRO 149 CO 0.50 -0.10 -0.16 0.14 0.04 0.00 0.00 177.00 177.42 1xf3 s VAL 150 N -2.35 2.94 -0.15 -0.36 -7.23 -1.26 -4.40 120.40 107.58 1xf3 s VAL 150 Ca 0.47 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 1xf3 s VAL 150 Cb -0.10 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1xf3 s VAL 150 CO 0.34 0.45 0.11 -0.89 -0.31 0.00 0.00 175.10 174.80 1xf3 s THR 151 N -0.84 5.21 -0.15 5.32 2.01 -0.58 -4.96 115.64 121.66 1xf3 s THR 151 Ca 0.13 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1xf3 s THR 151 Cb -0.11 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1xf3 s THR 151 CO 0.03 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.60 1xf3 s VAL 152 N -0.35 2.16 0.46 3.82 1.01 -1.26 -1.49 120.40 124.75 1xf3 s VAL 152 Ca 0.10 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1xf3 s VAL 152 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1xf3 s VAL 152 CO 0.01 0.54 0.04 0.42 0.00 0.00 0.00 175.10 176.12 1xf3 s THR 153 N 0.87 1.14 -0.03 3.92 -4.23 -0.61 -4.99 115.64 111.71 1xf3 s THR 153 Ca -0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1xf3 s THR 153 Cb -0.15 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.32 1xf3 s THR 153 CO -0.03 0.00 -0.05 0.26 -0.54 0.00 0.00 174.62 174.26 1xf3 s TRP 154 N -2.97 0.73 -1.51 3.99 0.52 -1.26 -1.30 118.94 117.14 1xf3 s TRP 154 Ca 0.17 -0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 1xf3 s TRP 154 Cb 0.04 -0.60 0.04 0.00 -1.15 0.00 0.00 33.47 31.80 1xf3 s TRP 154 CO 0.09 -0.14 0.40 0.09 0.02 0.00 0.00 176.95 177.41 1xf3 n ASN 155 N 3.70 -0.65 -2.16 2.95 3.02 -0.40 -1.39 115.26 120.34 1xf3 n ASN 155 Ca -0.22 -1.08 -0.21 0.00 -0.03 0.00 0.00 54.58 53.05 1xf3 n ASN 155 Cb 0.53 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.05 1xf3 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xf3 n SER 156 N -2.88 -5.76 0.00 6.41 7.64 -1.26 -2.24 113.62 115.52 1xf3 n SER 156 Ca -0.23 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1xf3 n SER 156 Cb 0.64 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1xf3 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf3 n GLY 157 N -0.88 0.46 0.08 0.23 0.00 -0.48 -4.95 105.19 99.65 1xf3 n GLY 157 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1xf3 n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xf3 h SER 158 N 0.00 0.00 -3.21 1.61 4.64 -1.32 -3.39 113.55 111.89 1xf3 h SER 158 Ca 0.00 -0.17 -0.76 0.00 -0.47 0.00 0.00 61.79 60.39 1xf3 h SER 158 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1xf3 h SER 158 CO 0.00 0.08 -0.22 -0.76 -0.87 0.00 0.00 176.83 175.07 1xf3 s LEU 159 N -4.38 6.16 -0.02 5.97 1.43 -0.97 -4.86 118.68 122.00 1xf3 s LEU 159 Ca 0.06 -1.91 0.02 0.00 -1.03 0.00 0.00 54.13 51.27 1xf3 s LEU 159 Cb 0.13 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1xf3 s LEU 159 CO 0.71 -0.80 0.02 -1.54 0.23 0.00 0.00 176.35 174.97 1xf3 n SER 160 N 5.05 4.41 -4.77 2.29 3.41 -1.26 -4.22 113.62 118.52 1xf3 n SER 160 Ca -0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 1xf3 n SER 160 Cb 0.41 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 1xf3 n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xf3 s SER 161 N -3.00 6.43 -0.42 4.04 0.01 -1.26 -3.70 113.70 115.81 1xf3 s SER 161 Ca -0.01 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1xf3 s SER 161 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1xf3 s SER 161 CO 0.10 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1xf3 n GLY 162 N 0.43 0.61 3.75 3.44 0.00 -1.26 -4.68 105.19 107.47 1xf3 n GLY 162 Ca 0.06 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1xf3 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf3 s VAL 163 N -1.84 5.05 -0.19 1.61 1.01 -1.24 -1.99 120.40 122.80 1xf3 s VAL 163 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.10 1xf3 s VAL 163 Cb 0.00 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1xf3 s VAL 163 CO 0.00 0.38 -0.13 -1.00 0.00 0.00 0.00 175.10 174.35 1xf3 s HIS 164 N 0.16 2.53 -0.20 5.22 3.76 -0.19 -5.00 115.29 121.58 1xf3 s HIS 164 Ca 0.29 -1.63 -0.03 0.00 -0.15 0.00 0.00 55.06 53.55 1xf3 s HIS 164 Cb -0.17 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1xf3 s HIS 164 CO 0.14 -0.76 -0.08 0.99 -0.85 0.00 0.00 174.74 174.18 1xf3 s THR 165 N 1.36 3.14 0.18 1.30 2.01 -1.26 -0.48 115.64 121.88 1xf3 s THR 165 Ca -0.00 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1xf3 s THR 165 Cb -0.16 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1xf3 s THR 165 CO -0.09 0.46 0.45 -0.36 -0.69 0.00 0.00 174.62 174.39 1xf3 s PHE 166 N 1.24 3.46 0.30 4.92 0.08 -0.64 -5.02 117.98 122.32 1xf3 s PHE 166 Ca 0.03 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.49 1xf3 s PHE 166 Cb -0.14 -2.12 -0.13 0.00 -0.57 0.00 0.00 43.02 40.06 1xf3 s PHE 166 CO -0.03 0.37 1.38 -2.30 -0.10 0.00 0.00 175.22 174.54 1xf3 n PRO 167 N 0.05 2.19 -2.00 0.24 -0.02 -1.26 -4.47 135.00 129.73 1xf3 n PRO 167 Ca -0.02 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1xf3 n PRO 167 Cb 0.52 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1xf3 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf3 s ALA 168 N -0.57 3.55 -0.11 3.55 0.00 -1.26 -4.82 121.76 122.10 1xf3 s ALA 168 Ca 0.61 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1xf3 s ALA 168 Cb -0.58 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 1xf3 s ALA 168 CO 0.56 -0.78 -0.18 0.08 0.00 0.00 0.00 175.76 175.44 1xf3 s VAL 169 N -0.88 2.64 -0.18 0.00 1.01 0.02 -4.95 120.40 118.06 1xf3 s VAL 169 Ca 0.52 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1xf3 s VAL 169 Cb -0.42 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1xf3 s VAL 169 CO 0.54 0.54 0.48 -0.22 0.00 0.00 0.00 175.10 176.43 1xf3 s LEU 170 N 0.26 4.18 -0.11 3.92 2.96 -1.26 -1.04 118.68 127.58 1xf3 s LEU 170 Ca -0.12 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 1xf3 s LEU 170 Cb -0.16 -2.65 0.05 0.00 0.50 0.00 0.00 46.19 43.92 1xf3 s LEU 170 CO 0.07 -0.11 0.26 -1.58 -1.32 0.00 0.00 176.35 173.67 1xf3 s GLN 171 N 1.30 0.21 -1.47 1.98 -0.44 -0.09 -4.86 119.66 116.30 1xf3 s GLN 171 Ca 0.23 0.56 -0.04 0.00 -2.50 0.00 0.00 55.36 53.62 1xf3 s GLN 171 Cb -0.15 -0.11 0.03 0.00 -1.64 0.00 0.00 33.01 31.14 1xf3 s GLN 171 CO 0.09 -0.17 0.50 0.43 0.50 0.00 0.00 175.29 176.64 1xf3 n SER 172 N 4.32 -0.99 0.00 6.67 7.64 -1.26 -2.42 113.62 127.58 1xf3 n SER 172 Ca -0.24 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1xf3 n SER 172 Cb 0.53 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 1xf3 n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xf3 n ASP 173 N -2.92 0.00 -4.34 6.43 9.92 -1.26 -4.97 116.55 119.41 1xf3 n ASP 173 Ca -0.23 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.78 1xf3 n ASP 173 Cb 0.65 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 41.00 1xf3 n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xf3 s LEU 174 N 0.00 2.37 0.21 0.64 1.43 -1.02 -4.49 118.68 117.81 1xf3 s LEU 174 Ca 0.00 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 1xf3 s LEU 174 Cb 0.00 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 1xf3 s LEU 174 CO 0.00 0.07 0.60 -0.31 0.23 0.00 0.00 176.35 176.94 1xf3 s TYR 175 N -1.48 3.53 -0.00 0.29 2.02 0.04 -0.91 117.35 120.83 1xf3 s TYR 175 Ca 0.13 1.08 0.06 0.00 -0.37 0.00 0.00 57.07 57.97 1xf3 s TYR 175 Cb -0.08 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1xf3 s TYR 175 CO 0.06 0.32 -0.19 0.99 -1.57 0.00 0.00 175.55 175.17 1xf3 s THR 176 N -1.64 1.51 -0.07 -0.71 2.01 -0.21 -1.54 115.64 114.98 1xf3 s THR 176 Ca 0.43 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 1xf3 s THR 176 Cb -0.13 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1xf3 s THR 176 CO 0.20 0.37 0.32 -0.22 -0.69 0.00 0.00 174.62 174.60 1xf3 s LEU 177 N -0.59 0.78 0.21 4.42 0.20 -0.27 -0.80 118.68 122.62 1xf3 s LEU 177 Ca 0.07 0.40 0.08 0.00 0.69 0.00 0.00 54.13 55.37 1xf3 s LEU 177 Cb -0.08 1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 46.85 1xf3 s LEU 177 CO -0.00 -0.28 -0.14 -0.94 -0.29 0.00 0.00 176.35 174.70 1xf3 s SER 178 N -0.55 2.63 -0.10 3.68 1.04 -1.26 -0.64 113.70 118.50 1xf3 s SER 178 Ca -0.07 -1.03 -0.05 0.00 0.48 0.00 0.00 55.95 55.29 1xf3 s SER 178 Cb -0.04 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.98 1xf3 s SER 178 CO 0.02 -0.17 0.23 -0.55 0.98 0.00 0.00 173.24 173.75 1xf3 s SER 179 N -3.33 -0.24 0.19 7.02 0.15 -0.78 -1.62 113.70 115.08 1xf3 s SER 179 Ca 0.23 0.48 0.08 0.00 0.70 0.00 0.00 55.95 57.45 1xf3 s SER 179 Cb -0.01 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1xf3 s SER 179 CO 0.07 -0.15 -0.05 -0.94 1.20 0.00 0.00 173.24 173.37 1xf3 s SER 180 N 1.11 4.47 -0.02 5.45 1.04 0.37 -1.31 113.70 124.81 1xf3 s SER 180 Ca -0.08 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1xf3 s SER 180 Cb -0.09 -0.84 0.02 0.00 0.10 0.00 0.00 66.02 65.21 1xf3 s SER 180 CO -0.07 0.08 0.02 0.54 0.98 0.00 0.00 173.24 174.79 1xf3 s VAL 181 N -1.80 -0.03 -0.22 5.02 0.11 -0.26 -1.02 120.40 122.19 1xf3 s VAL 181 Ca 0.27 0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.45 1xf3 s VAL 181 Cb -0.09 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1xf3 s VAL 181 CO 0.17 0.07 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.03 1xf3 s THR 182 N 0.79 2.88 0.25 5.04 2.01 -0.84 -1.00 115.64 124.77 1xf3 s THR 182 Ca -0.07 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.27 1xf3 s THR 182 Cb -0.10 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 1xf3 s THR 182 CO -0.02 0.40 -0.14 0.68 -0.69 0.00 0.00 174.62 174.85 1xf3 s VAL 183 N 1.39 1.92 0.32 3.82 -7.23 -0.78 -4.64 120.40 115.20 1xf3 s VAL 183 Ca 0.04 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.68 1xf3 s VAL 183 Cb -0.14 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 1xf3 s VAL 183 CO -0.06 -0.46 1.56 -2.65 -0.31 0.00 0.00 175.10 173.18 1xf3 n PRO 184 N -0.50 2.70 0.08 4.82 -0.02 -1.26 -0.90 135.00 139.91 1xf3 n PRO 184 Ca -0.07 0.96 0.17 0.00 -2.02 0.00 0.00 63.50 62.54 1xf3 n PRO 184 Cb 0.61 -2.72 0.69 0.00 -0.02 0.00 0.00 33.50 32.06 1xf3 n PRO 184 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xf3 h SER 185 N 4.21 0.00 0.48 2.55 0.02 -1.36 -0.51 113.55 118.94 1xf3 h SER 185 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xf3 h SER 185 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xf3 h SER 185 CO 0.74 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.20 1xf3 h SER 186 N 0.00 0.00 0.00 3.07 4.64 -1.90 -3.38 113.55 115.97 1xf3 h SER 186 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1xf3 h SER 186 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1xf3 h SER 186 CO -0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1xf3 n THR 187 N -2.93 0.00 -2.26 2.95 -2.24 -0.20 -4.83 114.28 104.76 1xf3 n THR 187 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 1xf3 n THR 187 Cb 0.18 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1xf3 n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xf3 s TRP 188 N 0.00 3.10 -2.04 4.78 -0.00 -1.25 -1.11 118.94 122.42 1xf3 s TRP 188 Ca 0.00 1.54 0.30 0.00 -0.00 0.00 0.00 56.10 57.94 1xf3 s TRP 188 Cb 0.00 -3.45 1.55 0.00 -0.00 0.00 0.00 33.47 31.57 1xf3 s TRP 188 CO 0.00 -1.38 2.03 -0.35 -0.00 0.00 0.00 176.95 177.25 1xf3 n PRO 189 N 0.34 1.09 -0.18 5.86 -0.04 -1.26 -4.82 135.00 135.99 1xf3 n PRO 189 Ca 0.03 -0.29 -0.03 0.00 -0.04 0.00 0.00 63.50 63.16 1xf3 n PRO 189 Cb 0.45 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 1xf3 n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xf3 h SER 190 N 0.72 0.35 -3.23 3.54 4.64 -1.44 -3.40 113.55 114.73 1xf3 h SER 190 Ca 0.00 0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.79 1xf3 h SER 190 Cb 0.21 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1xf3 h SER 190 CO 0.00 0.24 -0.21 -1.61 -0.87 0.00 0.00 176.83 174.37 1xf3 s GLU 191 N -6.12 3.76 0.19 4.77 0.41 -0.63 -5.07 118.70 116.00 1xf3 s GLU 191 Ca -0.13 0.16 -0.25 0.00 -0.41 0.00 0.00 54.97 54.34 1xf3 s GLU 191 Cb 0.15 -2.87 -0.08 0.00 -1.78 0.00 0.00 34.13 29.55 1xf3 s GLU 191 CO 0.74 0.47 0.80 -0.08 -0.49 0.00 0.00 175.26 176.69 1xf3 s THR 192 N -1.58 4.35 -0.06 3.63 -1.32 -1.26 -4.14 115.64 115.27 1xf3 s THR 192 Ca 0.39 1.69 0.01 0.00 -1.21 0.00 0.00 61.69 62.58 1xf3 s THR 192 Cb -0.13 -4.11 0.02 0.00 -1.51 0.00 0.00 72.50 66.77 1xf3 s THR 192 CO 0.21 0.46 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.30 1xf3 s VAL 193 N -1.23 0.81 -0.02 5.08 1.01 -1.26 -4.98 120.40 119.81 1xf3 s VAL 193 Ca 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1xf3 s VAL 193 Cb -0.22 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1xf3 s VAL 193 CO 0.26 0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.77 1xf3 s THR 194 N 0.86 0.07 -0.01 3.92 2.01 -1.26 -0.37 115.64 120.87 1xf3 s THR 194 Ca -0.12 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1xf3 s THR 194 Cb -0.15 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.13 1xf3 s THR 194 CO 0.01 0.11 0.43 0.00 -0.69 0.00 0.00 174.62 174.48 1xf3 s ASN 196 N -0.84 4.10 -0.21 0.00 -0.87 -0.42 -1.41 114.94 115.30 1xf3 s ASN 196 Ca 0.24 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 51.16 1xf3 s ASN 196 Cb -0.17 -1.67 0.04 0.00 -0.02 0.00 0.00 41.25 39.43 1xf3 s ASN 196 CO 0.13 0.05 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.86 1xf3 s VAL 197 N 1.07 2.01 -0.13 1.60 1.01 0.46 -1.57 120.40 124.85 1xf3 s VAL 197 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1xf3 s VAL 197 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xf3 s VAL 197 CO -0.02 0.31 -0.01 0.00 0.00 0.00 0.00 175.10 175.38 1xf3 s ALA 198 N 1.26 3.15 -0.52 5.51 0.00 -0.56 -0.80 121.76 129.80 1xf3 s ALA 198 Ca -0.00 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1xf3 s ALA 198 Cb -0.16 -1.57 0.15 0.00 0.00 0.00 0.00 23.12 21.54 1xf3 s ALA 198 CO -0.10 0.34 0.33 -1.58 0.00 0.00 0.00 175.76 174.76 1xf3 s HIS 199 N -0.08 2.36 0.35 0.00 2.46 0.71 -1.52 115.29 119.56 1xf3 s HIS 199 Ca 0.03 -2.73 0.12 0.00 0.47 0.00 0.00 55.06 52.95 1xf3 s HIS 199 Cb -0.13 -2.00 0.92 0.00 -0.13 0.00 0.00 32.58 31.24 1xf3 s HIS 199 CO 0.02 -0.72 1.77 -1.35 -2.47 0.00 0.00 174.74 172.00 1xf3 h PRO 200 N 6.11 0.55 -0.21 2.88 0.11 -1.78 -2.46 132.00 137.21 1xf3 h PRO 200 Ca 0.09 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1xf3 h PRO 200 Cb 0.87 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1xf3 h PRO 200 CO 0.54 0.37 -0.11 0.00 -0.21 0.00 0.00 178.00 178.59 1xf3 h ALA 201 N 1.65 1.44 -0.48 -0.75 0.00 -1.92 -1.54 119.26 117.67 1xf3 h ALA 201 Ca 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xf3 h ALA 201 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xf3 h ALA 201 CO -0.35 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1xf3 n SER 202 N -4.26 3.34 -3.67 0.00 3.41 -0.97 -4.98 113.62 106.49 1xf3 n SER 202 Ca -0.00 -1.97 -0.21 0.00 -0.26 0.00 0.00 58.87 56.43 1xf3 n SER 202 Cb 0.28 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1xf3 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf3 n SER 203 N 1.37 -1.24 -4.00 4.04 7.64 -0.58 -4.97 113.62 115.88 1xf3 n SER 203 Ca 0.20 -0.80 -0.20 0.00 1.01 0.00 0.00 58.87 59.08 1xf3 n SER 203 Cb 0.57 -4.18 -0.15 0.00 -1.01 0.00 0.00 64.21 59.43 1xf3 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf3 s THR 204 N -3.64 0.76 -0.02 0.44 2.01 -1.05 -5.03 115.64 109.11 1xf3 s THR 204 Ca 0.00 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1xf3 s THR 204 Cb -0.00 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1xf3 s THR 204 CO 0.80 0.24 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.31 1xf3 s LYS 205 N 0.21 1.12 -0.08 4.92 -0.14 -1.26 -0.21 119.74 124.30 1xf3 s LYS 205 Ca -0.03 -0.44 0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1xf3 s LYS 205 Cb -0.08 -1.05 0.02 0.00 -1.68 0.00 0.00 37.83 35.03 1xf3 s LYS 205 CO 0.00 0.23 -0.10 0.08 -0.76 0.00 0.00 175.35 174.81 1xf3 s VAL 206 N -0.13 1.01 -0.22 3.17 1.01 0.02 -4.97 120.40 120.29 1xf3 s VAL 206 Ca 0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1xf3 s VAL 206 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1xf3 s VAL 206 CO 0.00 0.34 0.08 -1.81 0.00 0.00 0.00 175.10 173.71 1xf3 s ASP 207 N 1.02 5.45 -0.28 3.32 -0.00 -1.26 -0.41 116.67 124.51 1xf3 s ASP 207 Ca -0.08 -0.05 0.03 0.00 -0.00 0.00 0.00 52.55 52.44 1xf3 s ASP 207 Cb -0.15 -1.96 0.07 0.00 -0.00 0.00 0.00 42.92 40.89 1xf3 s ASP 207 CO -0.00 0.06 -0.04 -0.75 -0.00 0.00 0.00 175.17 174.44 1xf3 s LYS 208 N 1.06 1.81 0.15 8.23 2.47 -0.50 -4.98 119.74 127.97 1xf3 s LYS 208 Ca 0.05 -1.42 -0.30 0.00 -1.56 0.00 0.00 55.97 52.73 1xf3 s LYS 208 Cb -0.14 -2.88 -0.08 0.00 -1.46 0.00 0.00 37.83 33.27 1xf3 s LYS 208 CO 0.03 -0.71 1.28 0.21 0.16 0.00 0.00 175.35 176.33 1xf3 s LYS 209 N 1.13 4.40 -0.34 4.03 2.20 -1.26 -1.58 119.74 128.32 1xf3 s LYS 209 Ca -0.01 1.96 -0.24 0.00 -0.36 0.00 0.00 55.97 57.32 1xf3 s LYS 209 Cb -0.19 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1xf3 s LYS 209 CO -0.07 -0.26 0.84 0.42 -0.36 0.00 0.00 175.35 175.92 1xf3 s ILE 210 N 0.50 4.71 -0.04 5.43 -1.09 0.51 -4.97 121.20 126.25 1xf3 s ILE 210 Ca 0.58 1.15 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 1xf3 s ILE 210 Cb -0.34 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.28 1xf3 s ILE 210 CO 0.34 -0.38 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.87 1xf3 s VAL 211 N 3.17 3.35 0.61 2.92 1.01 -1.26 -4.63 120.40 125.56 1xf3 s VAL 211 Ca 0.34 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1xf3 s VAL 211 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1xf3 s VAL 211 CO 0.15 0.53 1.25 -2.16 0.00 0.00 0.00 175.10 174.88 1xf3 s PRO 212 N -0.96 2.85 0.38 2.72 0.04 -1.26 -4.79 135.00 133.98 1xf3 s PRO 212 Ca 0.13 1.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 1xf3 s PRO 212 Cb -0.11 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1xf3 s PRO 212 CO 0.03 -1.34 0.98 1.03 0.04 0.00 0.00 177.00 177.75 1xf3 s ARG 213 N -3.29 4.32 0.21 4.56 0.52 -1.26 -5.03 118.95 118.97 1xf3 s ARG 213 Ca 0.79 1.34 -0.24 0.00 -0.52 0.00 0.00 55.73 57.09 1xf3 s ARG 213 Cb -0.34 -2.52 -0.08 0.00 0.52 0.00 0.00 34.95 32.52 1xf3 s ARG 213 CO 0.37 0.03 0.80 -0.51 0.02 0.00 0.00 175.30 176.01 1xf3 s ASP 214 N -1.76 7.31 0.00 0.23 -0.00 -1.26 -5.11 116.67 116.09 1xf3 s ASP 214 Ca 0.56 1.63 0.00 0.00 -0.00 0.00 0.00 52.55 54.75 1xf3 s ASP 214 Cb -0.17 -2.50 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1xf3 s ASP 214 CO 0.22 0.12 0.00 0.00 -0.00 0.00 0.00 175.17 175.51