#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf4 s VAL 2 N 0.00 2.72 -0.12 5.09 1.01 -1.26 -4.19 120.40 123.65 1xf4 s VAL 2 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1xf4 s VAL 2 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1xf4 s VAL 2 CO 0.00 0.08 0.29 -0.54 0.00 0.00 0.00 175.10 174.93 1xf4 s LYS 3 N 0.06 0.30 -0.11 2.72 1.02 0.58 -4.97 119.74 119.34 1xf4 s LYS 3 Ca 0.62 0.52 0.04 0.00 0.02 0.00 0.00 55.97 57.16 1xf4 s LYS 3 Cb -0.42 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1xf4 s LYS 3 CO 0.40 -0.11 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.98 1xf4 s LEU 4 N 0.78 2.11 -0.18 3.17 1.43 -1.26 -1.00 118.68 123.74 1xf4 s LEU 4 Ca -0.05 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1xf4 s LEU 4 Cb -0.06 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.77 1xf4 s LEU 4 CO -0.05 0.15 -0.10 -0.76 0.23 0.00 0.00 176.35 175.82 1xf4 s LEU 5 N 0.40 1.95 0.31 1.79 1.02 -0.09 -4.34 118.68 119.72 1xf4 s LEU 5 Ca -0.17 -0.72 0.07 0.00 0.02 0.00 0.00 54.13 53.33 1xf4 s LEU 5 Cb -0.18 -1.14 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 1xf4 s LEU 5 CO 0.07 -0.13 0.33 -1.61 0.02 0.00 0.00 176.35 175.03 1xf4 s GLU 6 N 1.48 2.93 0.51 1.70 2.02 -1.26 -0.17 118.70 125.91 1xf4 s GLU 6 Ca 0.01 -1.13 -0.20 0.00 0.02 0.00 0.00 54.97 53.67 1xf4 s GLU 6 Cb -0.15 -2.62 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 1xf4 s GLU 6 CO -0.09 0.17 1.06 -1.54 0.02 0.00 0.00 175.26 174.89 1xf4 s SER 7 N -4.01 6.13 1.19 -0.19 1.04 -0.91 -4.96 113.70 111.99 1xf4 s SER 7 Ca 0.40 1.99 -0.14 0.00 0.48 0.00 0.00 55.95 58.68 1xf4 s SER 7 Cb -0.07 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.78 1xf4 s SER 7 CO 0.28 -0.93 1.02 -0.83 0.98 0.00 0.00 173.24 173.76 1xf4 s GLY 8 N -1.98 1.53 0.71 7.32 0.00 -1.26 -4.53 107.32 109.11 1xf4 s GLY 8 Ca 0.69 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.98 1xf4 s GLY 8 CO 0.23 0.49 1.02 -1.55 0.00 0.00 0.00 173.10 173.30 1xf4 n PRO 9 N -4.97 0.57 -5.07 2.90 -0.04 -1.26 -4.72 135.00 122.40 1xf4 n PRO 9 Ca 0.04 0.25 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 1xf4 n PRO 9 Cb 0.55 -2.27 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 1xf4 n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf4 s GLU 10 N -3.37 1.88 -0.30 0.54 0.41 0.25 -4.97 118.70 113.14 1xf4 s GLU 10 Ca 0.75 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 54.56 1xf4 s GLU 10 Cb -0.35 -1.75 0.08 0.00 -1.78 0.00 0.00 34.13 30.33 1xf4 s GLU 10 CO 0.49 0.43 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.50 1xf4 s LEU 11 N -0.38 4.13 0.19 1.80 0.20 -1.26 -0.52 118.68 122.83 1xf4 s LEU 11 Ca 0.05 -1.72 0.09 0.00 0.69 0.00 0.00 54.13 53.24 1xf4 s LEU 11 Cb -0.10 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1xf4 s LEU 11 CO 0.00 -0.29 -0.12 0.68 -0.29 0.00 0.00 176.35 176.33 1xf4 s VAL 12 N 1.04 3.05 0.47 1.68 -7.23 -0.66 -5.01 120.40 113.74 1xf4 s VAL 12 Ca 0.00 -1.76 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 1xf4 s VAL 12 Cb -0.20 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 1xf4 s VAL 12 CO -0.06 -0.14 0.97 -0.54 -0.31 0.00 0.00 175.10 175.03 1xf4 s LYS 13 N -2.87 4.08 0.81 4.82 3.01 -1.23 -0.73 119.74 127.64 1xf4 s LYS 13 Ca 0.25 1.06 -0.14 0.00 -1.01 0.00 0.00 55.97 56.12 1xf4 s LYS 13 Cb -0.08 -2.16 0.04 0.00 -1.01 0.00 0.00 37.83 34.62 1xf4 s LYS 13 CO 0.15 -0.16 0.87 -2.30 0.51 0.00 0.00 175.35 174.42 1xf4 n PRO 14 N -1.08 0.12 -0.02 -1.68 -0.02 -1.26 -2.65 135.00 128.42 1xf4 n PRO 14 Ca 0.07 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1xf4 n PRO 14 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1xf4 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf4 n GLY 15 N 1.02 2.30 0.00 -1.23 0.00 0.45 -4.83 105.19 102.90 1xf4 n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xf4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf4 n ALA 16 N 0.24 0.00 -2.23 4.61 0.00 -1.08 -4.16 120.51 117.88 1xf4 n ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1xf4 n ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1xf4 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xf4 s SER 17 N -1.00 0.95 0.08 0.00 1.04 -1.26 0.14 113.70 113.66 1xf4 s SER 17 Ca 0.00 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 55.51 1xf4 s SER 17 Cb 0.00 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1xf4 s SER 17 CO 0.00 -0.47 -0.09 0.54 0.98 0.00 0.00 173.24 174.20 1xf4 s VAL 18 N -3.44 0.81 -0.07 5.02 0.11 0.51 -4.96 120.40 118.37 1xf4 s VAL 18 Ca 0.08 -1.56 -0.01 0.00 -2.93 0.00 0.00 61.98 57.57 1xf4 s VAL 18 Cb 0.04 -1.25 0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1xf4 s VAL 18 CO -0.05 -0.57 -0.02 -0.75 -3.33 0.00 0.00 175.10 170.38 1xf4 s LYS 19 N -2.68 0.77 0.38 1.54 2.20 -1.26 0.86 119.74 121.55 1xf4 s LYS 19 Ca 0.03 0.01 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 1xf4 s LYS 19 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 35.24 1xf4 s LYS 19 CO -0.01 -0.24 0.19 0.00 -0.36 0.00 0.00 175.35 174.93 1xf4 s MET 20 N 1.65 2.33 0.13 4.03 0.23 0.86 -4.96 119.30 123.57 1xf4 s MET 20 Ca 0.01 -1.67 0.05 0.00 -1.03 0.00 0.00 55.69 53.04 1xf4 s MET 20 Cb -0.13 -2.12 -0.04 0.00 -1.53 0.00 0.00 34.83 31.01 1xf4 s MET 20 CO -0.04 -0.02 -0.11 -1.54 -2.03 0.00 0.00 175.02 171.28 1xf4 s SER 21 N -3.91 1.75 -0.26 -1.18 1.04 -1.26 -1.94 113.70 107.94 1xf4 s SER 21 Ca 0.40 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 1xf4 s SER 21 Cb 0.00 -0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.23 1xf4 s SER 21 CO 0.23 -0.28 0.30 0.00 0.98 0.00 0.00 173.24 174.48 1xf4 s LYS 23 N 2.40 4.27 -0.11 0.00 2.47 0.76 -0.44 119.74 129.09 1xf4 s LYS 23 Ca 0.09 0.65 -0.01 0.00 -1.56 0.00 0.00 55.97 55.14 1xf4 s LYS 23 Cb -0.14 -3.53 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1xf4 s LYS 23 CO -0.25 -0.13 -0.06 0.00 0.16 0.00 0.00 175.35 175.07 1xf4 s ALA 24 N 1.52 2.96 0.13 3.13 0.00 -0.25 -0.92 121.76 128.33 1xf4 s ALA 24 Ca 0.30 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 1xf4 s ALA 24 Cb -0.16 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1xf4 s ALA 24 CO 0.12 0.38 0.22 -1.54 0.00 0.00 0.00 175.76 174.94 1xf4 s SER 25 N -0.17 0.11 0.00 0.00 1.04 -0.17 -4.81 113.70 109.70 1xf4 s SER 25 Ca 0.02 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1xf4 s SER 25 Cb -0.13 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1xf4 s SER 25 CO 0.03 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1xf4 n GLY 26 N -0.14 0.68 3.61 7.32 0.00 -1.26 -0.31 105.19 115.10 1xf4 n GLY 26 Ca -0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1xf4 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 27 N -2.00 -0.28 -0.73 1.61 1.13 -1.26 -4.18 117.35 111.64 1xf4 s TYR 27 Ca 0.00 0.05 -0.26 0.00 -1.41 0.00 0.00 57.07 55.46 1xf4 s TYR 27 Cb 0.00 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.37 1xf4 s TYR 27 CO 0.00 -0.72 2.16 0.99 -2.51 0.00 0.00 175.55 175.47 1xf4 s THR 28 N -3.30 3.21 0.35 -3.49 2.01 -1.26 -4.84 115.64 108.33 1xf4 s THR 28 Ca 0.08 -0.07 0.16 0.00 0.31 0.00 0.00 61.69 62.16 1xf4 s THR 28 Cb -0.01 -3.50 0.36 0.00 0.01 0.00 0.00 72.50 69.36 1xf4 s THR 28 CO -0.04 -0.48 1.59 0.15 -0.69 0.00 0.00 174.62 175.15 1xf4 h PHE 29 N 14.08 0.64 0.00 4.92 3.57 -1.94 0.84 116.94 139.05 1xf4 h PHE 29 Ca -0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1xf4 h PHE 29 Cb 1.09 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1xf4 h PHE 29 CO 1.12 -0.44 0.00 0.25 -2.23 0.00 0.00 178.31 177.01 1xf4 n THR 30 N -5.29 0.44 0.53 4.41 -2.24 -1.26 -3.76 114.28 107.11 1xf4 n THR 30 Ca 0.34 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 1xf4 n THR 30 Cb 1.14 -0.74 0.12 0.00 -2.10 0.00 0.00 70.33 68.74 1xf4 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xf4 n SER 31 N -1.41 0.68 -4.08 3.42 7.64 0.29 -3.95 113.62 116.21 1xf4 n SER 31 Ca 0.07 0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.80 1xf4 n SER 31 Cb 0.22 0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 63.63 1xf4 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xf4 s TYR 32 N -3.19 1.07 0.78 1.43 2.02 -1.25 -4.95 117.35 113.27 1xf4 s TYR 32 Ca 0.05 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.42 1xf4 s TYR 32 Cb 0.13 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 41.07 1xf4 s TYR 32 CO 0.75 -0.01 1.09 0.14 -1.57 0.00 0.00 175.55 175.95 1xf4 s VAL 33 N -0.34 3.20 -0.20 0.71 -7.23 -1.26 -4.54 120.40 110.74 1xf4 s VAL 33 Ca 0.04 0.39 0.01 0.00 -1.81 0.00 0.00 61.98 60.61 1xf4 s VAL 33 Cb -0.05 -3.13 0.05 0.00 0.56 0.00 0.00 36.38 33.80 1xf4 s VAL 33 CO -0.00 -0.51 -0.09 -0.32 -0.31 0.00 0.00 175.10 173.87 1xf4 s MET 34 N -5.14 1.88 0.33 4.82 1.75 0.48 -1.78 119.30 121.64 1xf4 s MET 34 Ca 0.60 -0.83 -0.07 0.00 -1.25 0.00 0.00 55.69 54.15 1xf4 s MET 34 Cb -0.14 -2.40 -0.05 0.00 2.84 0.00 0.00 34.83 35.08 1xf4 s MET 34 CO 0.54 -0.46 0.63 -1.01 -0.65 0.00 0.00 175.02 174.07 1xf4 s HIS 35 N 1.42 3.48 -0.06 4.11 3.76 0.18 0.13 115.29 128.31 1xf4 s HIS 35 Ca -0.02 0.77 0.05 0.00 -0.15 0.00 0.00 55.06 55.70 1xf4 s HIS 35 Cb -0.17 -2.21 -0.00 0.00 1.11 0.00 0.00 32.58 31.31 1xf4 s HIS 35 CO -0.08 0.07 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.11 1xf4 s TRP 36 N -2.20 2.02 -0.03 1.40 0.52 -0.31 -1.00 118.94 119.33 1xf4 s TRP 36 Ca 0.46 -0.65 0.03 0.00 0.02 0.00 0.00 56.10 55.97 1xf4 s TRP 36 Cb -0.11 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 1xf4 s TRP 36 CO 0.31 -0.23 -0.12 0.08 0.02 0.00 0.00 176.95 177.01 1xf4 s VAL 37 N 0.10 1.02 -0.13 4.03 1.01 0.22 -0.70 120.40 125.94 1xf4 s VAL 37 Ca -0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1xf4 s VAL 37 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1xf4 s VAL 37 CO 0.04 0.31 0.04 -0.75 0.00 0.00 0.00 175.10 174.74 1xf4 s LYS 38 N 0.17 3.48 -0.13 2.72 2.20 0.17 0.20 119.74 128.55 1xf4 s LYS 38 Ca -0.04 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1xf4 s LYS 38 Cb -0.10 -3.02 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1xf4 s LYS 38 CO 0.01 0.52 0.07 -1.14 -0.36 0.00 0.00 175.35 174.45 1xf4 s GLN 39 N -0.35 0.11 0.44 4.03 0.74 0.58 -0.12 119.66 125.10 1xf4 s GLN 39 Ca 0.08 0.04 -0.21 0.00 0.05 0.00 0.00 55.36 55.32 1xf4 s GLN 39 Cb -0.12 -1.40 -0.10 0.00 1.10 0.00 0.00 33.01 32.49 1xf4 s GLN 39 CO 0.02 -0.54 0.98 0.15 -0.55 0.00 0.00 175.29 175.35 1xf4 s LYS 40 N 2.11 4.12 0.11 1.67 1.02 -1.26 -1.10 119.74 126.41 1xf4 s LYS 40 Ca 0.03 1.20 -0.34 0.00 0.02 0.00 0.00 55.97 56.88 1xf4 s LYS 40 Cb -0.15 -2.18 -0.18 0.00 -0.52 0.00 0.00 37.83 34.81 1xf4 s LYS 40 CO -0.07 -0.14 0.98 -0.35 -0.92 0.00 0.00 175.35 174.86 1xf4 n PRO 41 N -0.69 0.45 -0.85 -1.68 -0.04 -1.26 -1.26 135.00 129.68 1xf4 n PRO 41 Ca 0.07 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1xf4 n PRO 41 Cb 0.53 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1xf4 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xf4 n GLY 42 N 1.84 0.01 3.37 0.55 0.00 -1.26 -4.93 105.19 104.77 1xf4 n GLY 42 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1xf4 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xf4 n GLN 43 N 0.01 0.84 -0.96 1.61 6.02 -0.39 -5.15 117.38 119.36 1xf4 n GLN 43 Ca 0.00 -3.32 -0.29 0.00 -0.01 0.00 0.00 57.00 53.39 1xf4 n GLN 43 Cb 0.34 0.74 0.24 0.00 1.02 0.00 0.00 30.24 32.58 1xf4 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xf4 n GLY 44 N -0.69 -2.82 3.85 1.08 0.00 -1.26 -4.68 105.19 100.67 1xf4 n GLY 44 Ca -0.14 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1xf4 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xf4 s LEU 45 N 0.00 4.41 -0.06 0.99 1.43 -1.26 -4.26 118.68 119.93 1xf4 s LEU 45 Ca 0.68 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1xf4 s LEU 45 Cb -0.07 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1xf4 s LEU 45 CO 0.52 0.25 -0.01 -0.70 0.23 0.00 0.00 176.35 176.65 1xf4 s GLU 46 N -1.47 0.59 0.21 1.70 2.12 0.83 -4.97 118.70 117.71 1xf4 s GLU 46 Ca 0.28 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.36 1xf4 s GLU 46 Cb -0.15 -0.83 -0.08 0.00 0.26 0.00 0.00 34.13 33.32 1xf4 s GLU 46 CO 0.15 -0.21 1.09 -0.46 -0.54 0.00 0.00 175.26 175.29 1xf4 s TRP 47 N 1.51 3.61 -0.22 5.30 -0.00 -1.26 0.44 118.94 128.33 1xf4 s TRP 47 Ca -0.02 1.65 -0.11 0.00 -0.00 0.00 0.00 56.10 57.61 1xf4 s TRP 47 Cb -0.13 -3.26 -0.09 0.00 -0.00 0.00 0.00 33.47 29.99 1xf4 s TRP 47 CO -0.03 -0.53 -0.29 -0.89 -0.00 0.00 0.00 176.95 175.22 1xf4 n ILE 48 N 1.95 1.22 -3.29 5.86 5.41 0.12 -4.72 119.36 125.91 1xf4 n ILE 48 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.47 1xf4 n ILE 48 Cb 0.46 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 1xf4 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xf4 n GLY 49 N 1.62 -1.60 3.26 7.39 0.00 -1.24 0.13 105.19 114.75 1xf4 n GLY 49 Ca -0.42 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 1xf4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 50 N -2.84 -0.08 -0.12 1.61 1.13 -0.00 -1.17 117.35 115.88 1xf4 s TYR 50 Ca 0.00 -0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 1xf4 s TYR 50 Cb 0.00 0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 1xf4 s TYR 50 CO 0.00 -0.54 -0.08 0.96 -2.51 0.00 0.00 175.55 173.38 1xf4 s ILE 51 N -2.94 3.56 -0.59 -3.49 -4.36 0.12 -1.97 121.20 111.53 1xf4 s ILE 51 Ca -0.02 -0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 59.66 1xf4 s ILE 51 Cb 0.00 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.29 1xf4 s ILE 51 CO -0.06 0.54 0.79 0.21 0.24 0.00 0.00 174.94 176.66 1xf4 s ASN 52 N -0.07 6.21 0.64 4.36 2.47 0.93 -0.38 114.94 129.09 1xf4 s ASN 52 Ca 0.00 -1.06 0.32 0.00 0.42 0.00 0.00 52.86 52.54 1xf4 s ASN 52 Cb -0.13 -2.35 1.76 0.00 -1.45 0.00 0.00 41.25 39.08 1xf4 s ASN 52 CO 0.03 -1.17 2.04 -0.65 -3.72 0.00 0.00 177.10 173.63 1xf4 h PRO 52 N 9.27 0.00 -0.02 0.43 0.11 -1.85 0.21 132.00 140.14 1xf4 h PRO 52 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1xf4 h PRO 52 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xf4 h PRO 52 CO 1.09 0.00 -0.05 -0.92 -0.21 0.00 0.00 178.00 177.91 1xf4 h TYR 53 N 0.00 0.10 -0.10 0.65 5.03 -1.89 -3.36 116.97 117.39 1xf4 h TYR 53 Ca 0.05 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1xf4 h TYR 53 Cb 0.57 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1xf4 h TYR 53 CO 0.00 0.63 0.00 0.27 -1.32 0.00 0.00 178.16 177.74 1xf4 n ASN 54 N -4.74 2.08 -0.13 -2.11 0.23 -1.15 -5.00 115.26 104.44 1xf4 n ASN 54 Ca -0.08 -1.58 -0.02 0.00 -0.53 0.00 0.00 54.58 52.37 1xf4 n ASN 54 Cb 0.32 -0.06 -0.01 0.00 -2.08 0.00 0.00 39.78 37.95 1xf4 n ASN 54 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xf4 n ASP 55 N 0.44 -4.58 -4.77 0.53 8.00 0.74 -4.99 116.55 111.92 1xf4 n ASP 55 Ca 0.07 0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 1xf4 n ASP 55 Cb 0.28 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 39.16 1xf4 n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xf4 s GLY 56 N -2.13 2.70 0.06 0.44 0.00 -1.18 -4.74 107.32 102.47 1xf4 s GLY 56 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 44.72 45.65 1xf4 s GLY 56 CO 0.00 1.30 -0.10 -0.51 0.00 0.00 0.00 173.10 173.78 1xf4 s THR 57 N -1.66 0.80 -0.02 0.90 -4.23 -1.26 -0.05 115.64 110.12 1xf4 s THR 57 Ca 0.70 -1.24 -0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1xf4 s THR 57 Cb -0.27 -0.88 0.03 0.00 1.34 0.00 0.00 72.50 72.72 1xf4 s THR 57 CO 0.31 -0.35 0.03 -0.75 -0.54 0.00 0.00 174.62 173.32 1xf4 s LYS 58 N -1.81 -0.03 0.11 3.99 2.20 -0.83 -4.99 119.74 118.37 1xf4 s LYS 58 Ca -0.05 0.22 0.10 0.00 -0.36 0.00 0.00 55.97 55.88 1xf4 s LYS 58 Cb -0.09 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1xf4 s LYS 58 CO 0.01 -0.20 -0.22 0.71 -0.36 0.00 0.00 175.35 175.29 1xf4 s TYR 59 N 1.31 2.44 -0.04 4.03 2.02 -1.26 -0.82 117.35 125.02 1xf4 s TYR 59 Ca -0.06 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1xf4 s TYR 59 Cb -0.13 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1xf4 s TYR 59 CO -0.03 0.34 1.58 1.21 -1.57 0.00 0.00 175.55 177.08 1xf4 s ASN 60 N -2.01 6.71 0.37 2.29 3.84 0.36 -4.89 114.94 121.62 1xf4 s ASN 60 Ca 0.16 2.20 0.28 0.00 0.21 0.00 0.00 52.86 55.71 1xf4 s ASN 60 Cb -0.10 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.30 1xf4 s ASN 60 CO 0.08 -0.87 1.28 -1.84 -2.79 0.00 0.00 177.10 172.95 1xf4 n GLU 61 N 6.63 -0.03 0.08 0.43 0.28 -1.26 -0.11 120.64 126.67 1xf4 n GLU 61 Ca 0.16 1.02 -0.10 0.00 -0.16 0.00 0.00 57.16 58.08 1xf4 n GLU 61 Cb 0.43 -2.03 -0.07 0.00 1.43 0.00 0.00 31.44 31.20 1xf4 n GLU 61 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xf4 h LYS 62 N 0.00 0.15 -0.51 3.44 1.57 -1.94 -2.90 116.57 116.39 1xf4 h LYS 62 Ca 0.73 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1xf4 h LYS 62 Cb 2.41 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.79 1xf4 h LYS 62 CO -0.35 1.02 0.00 1.19 -0.57 0.00 0.00 179.45 180.75 1xf4 n PHE 63 N -3.54 0.68 -2.22 -1.35 3.72 0.85 -4.82 117.46 110.77 1xf4 n PHE 63 Ca -0.04 -0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 56.60 1xf4 n PHE 63 Cb 0.90 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 1xf4 n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1xf4 s LYS 64 N -1.32 3.84 0.00 -1.08 2.20 -1.07 -1.86 119.74 120.45 1xf4 s LYS 64 Ca 0.35 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 1xf4 s LYS 64 Cb 0.18 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1xf4 s LYS 64 CO 0.24 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 1xf4 n GLY 65 N 4.53 0.49 0.39 5.54 0.00 -1.26 -4.85 105.19 110.03 1xf4 n GLY 65 Ca 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1xf4 n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xf4 n LYS 66 N -2.64 0.00 -5.00 1.61 3.00 -0.83 -5.02 118.16 109.28 1xf4 n LYS 66 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1xf4 n LYS 66 Cb 0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 35.03 34.13 1xf4 n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xf4 s ALA 67 N -1.98 2.44 -0.10 3.14 0.00 -0.78 -4.17 121.76 120.31 1xf4 s ALA 67 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1xf4 s ALA 67 Cb 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1xf4 s ALA 67 CO 0.00 0.36 -0.19 0.99 0.00 0.00 0.00 175.76 176.92 1xf4 s THR 68 N 0.01 2.53 -0.04 0.00 2.01 -0.41 -4.82 115.64 114.92 1xf4 s THR 68 Ca -0.06 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1xf4 s THR 68 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1xf4 s THR 68 CO 0.05 0.55 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.69 1xf4 s LEU 69 N 0.11 3.11 0.25 4.42 1.43 -1.26 -1.05 118.68 125.69 1xf4 s LEU 69 Ca -0.09 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1xf4 s LEU 69 Cb -0.15 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1xf4 s LEU 69 CO 0.06 0.33 0.40 0.42 0.23 0.00 0.00 176.35 177.79 1xf4 s THR 70 N -0.88 0.00 -0.01 5.49 -4.23 -0.19 -5.00 115.64 110.83 1xf4 s THR 70 Ca 0.14 -1.56 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 1xf4 s THR 70 Cb -0.11 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.45 1xf4 s THR 70 CO 0.04 0.00 0.45 -0.94 -0.54 0.00 0.00 174.62 173.63 1xf4 s SER 71 N -3.07 -0.36 -0.24 3.99 1.04 -1.26 -0.23 113.70 113.57 1xf4 s SER 71 Ca 0.27 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.97 1xf4 s SER 71 Cb 0.01 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1xf4 s SER 71 CO 0.11 -0.56 -0.12 -0.62 0.98 0.00 0.00 173.24 173.02 1xf4 s ASP 72 N -1.50 4.10 0.14 7.02 3.68 0.94 -4.99 116.67 126.06 1xf4 s ASP 72 Ca -0.10 -1.21 -0.18 0.00 2.13 0.00 0.00 52.55 53.18 1xf4 s ASP 72 Cb -0.02 -1.49 0.02 0.00 -1.45 0.00 0.00 42.92 39.98 1xf4 s ASP 72 CO 0.04 -0.15 1.70 0.11 0.13 0.00 0.00 175.17 177.00 1xf4 h LYS 73 N 7.83 0.05 -0.73 4.34 1.57 -1.88 -2.53 116.57 125.22 1xf4 h LYS 73 Ca -0.24 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1xf4 h LYS 73 Cb 1.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1xf4 h LYS 73 CO 0.49 0.03 0.48 0.66 -0.57 0.00 0.00 179.45 180.54 1xf4 h SER 74 N 0.05 0.76 -0.35 0.86 4.64 -1.97 -2.52 113.55 115.02 1xf4 h SER 74 Ca 0.14 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1xf4 h SER 74 Cb 0.19 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1xf4 h SER 74 CO -0.25 0.52 0.02 -1.54 -0.87 0.00 0.00 176.83 174.71 1xf4 n SER 75 N -4.46 4.12 -4.27 4.97 3.41 -1.14 -4.97 113.62 111.29 1xf4 n SER 75 Ca 0.09 -3.09 -0.34 0.00 -0.26 0.00 0.00 58.87 55.27 1xf4 n SER 75 Cb 0.13 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 1xf4 n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf4 n SER 76 N -0.37 -1.15 -4.11 4.04 7.64 -0.95 -4.78 113.62 113.94 1xf4 n SER 76 Ca 0.25 -1.14 -0.26 0.00 1.01 0.00 0.00 58.87 58.72 1xf4 n SER 76 Cb 0.99 -2.22 -0.16 0.00 -1.01 0.00 0.00 64.21 61.81 1xf4 n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf4 s THR 77 N -3.72 1.41 -0.07 0.44 2.01 -0.99 -1.09 115.64 113.62 1xf4 s THR 77 Ca 0.41 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1xf4 s THR 77 Cb -0.23 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1xf4 s THR 77 CO 0.96 0.41 -0.02 0.00 -0.69 0.00 0.00 174.62 175.29 1xf4 s ALA 78 N 0.29 3.21 0.01 7.40 0.00 0.41 -0.04 121.76 133.03 1xf4 s ALA 78 Ca -0.09 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1xf4 s ALA 78 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1xf4 s ALA 78 CO 0.04 0.59 -0.14 0.71 0.00 0.00 0.00 175.76 176.96 1xf4 s TYR 79 N -0.88 1.23 -0.08 0.00 2.02 0.68 -0.87 117.35 119.46 1xf4 s TYR 79 Ca 0.14 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1xf4 s TYR 79 Cb -0.11 -0.77 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1xf4 s TYR 79 CO 0.03 0.00 -0.03 1.41 -1.57 0.00 0.00 175.55 175.39 1xf4 s MET 80 N -0.65 0.93 -0.11 -0.62 -2.45 -0.82 -1.02 119.30 114.57 1xf4 s MET 80 Ca 0.04 -0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.39 1xf4 s MET 80 Cb -0.06 -1.12 -0.04 0.00 1.25 0.00 0.00 34.83 34.86 1xf4 s MET 80 CO 0.00 -0.24 0.06 -2.00 1.05 0.00 0.00 175.02 173.90 1xf4 s GLU 81 N 1.65 3.24 0.32 4.11 2.12 -0.21 -0.10 118.70 129.83 1xf4 s GLU 81 Ca 0.01 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.14 1xf4 s GLU 81 Cb -0.13 -2.99 -0.06 0.00 0.26 0.00 0.00 34.13 31.21 1xf4 s GLU 81 CO -0.05 0.71 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.80 1xf4 s LEU 82 N -0.87 2.61 0.00 2.70 1.43 0.25 -1.29 118.68 123.52 1xf4 s LEU 82 Ca 0.13 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1xf4 s LEU 82 Cb -0.12 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1xf4 s LEU 82 CO 0.03 -0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.13 1xf4 n SER 82 N -0.70 0.00 -4.69 2.29 7.64 -0.60 -0.36 113.62 117.20 1xf4 n SER 82 Ca -0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 1xf4 n SER 82 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1xf4 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xf4 s LEU 82 N -2.32 4.40 0.28 -3.43 1.43 0.12 -4.46 118.68 114.70 1xf4 s LEU 82 Ca 0.00 2.69 0.10 0.00 -1.03 0.00 0.00 54.13 55.89 1xf4 s LEU 82 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1xf4 s LEU 82 CO 0.00 -0.99 -0.01 0.28 0.23 0.00 0.00 176.35 175.86 1xf4 s THR 83 N 2.97 3.30 0.36 5.49 -1.32 -1.26 0.17 115.64 125.34 1xf4 s THR 83 Ca 0.81 -1.95 0.13 0.00 -1.21 0.00 0.00 61.69 59.46 1xf4 s THR 83 Cb -0.44 -2.80 0.35 0.00 -1.51 0.00 0.00 72.50 68.09 1xf4 s THR 83 CO 0.36 -0.36 1.79 0.77 -2.21 0.00 0.00 174.62 174.98 1xf4 h SER 84 N 1.90 0.59 0.00 8.08 4.64 -1.96 0.53 113.55 127.32 1xf4 h SER 84 Ca -0.44 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xf4 h SER 84 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xf4 h SER 84 CO 0.61 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 176.13 1xf4 n GLU 85 N -4.67 0.24 -0.10 4.77 4.71 -1.26 -0.47 120.64 123.87 1xf4 n GLU 85 Ca 0.23 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.50 1xf4 n GLU 85 Cb 0.70 -1.47 0.17 0.00 -1.01 0.00 0.00 31.44 29.83 1xf4 n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xf4 n ASP 86 N -0.97 3.19 -4.65 1.62 10.43 0.18 -4.91 116.55 121.44 1xf4 n ASP 86 Ca 0.06 -1.98 -0.43 0.00 2.57 0.00 0.00 54.79 55.00 1xf4 n ASP 86 Cb 0.03 -0.13 -0.02 0.00 1.84 0.00 0.00 41.12 42.84 1xf4 n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xf4 s SER 87 N -1.74 7.00 0.00 -2.24 0.01 0.38 -4.80 113.70 112.31 1xf4 s SER 87 Ca 0.34 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.97 1xf4 s SER 87 Cb 0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1xf4 s SER 87 CO 0.31 -0.77 0.00 0.00 0.41 0.00 0.00 173.24 173.19 1xf4 n ALA 88 N 6.60 0.00 -2.21 1.44 0.00 -0.50 -4.71 120.51 121.13 1xf4 n ALA 88 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1xf4 n ALA 88 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1xf4 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xf4 s VAL 89 N -2.00 4.46 -0.11 0.00 1.01 -0.26 -1.80 120.40 121.70 1xf4 s VAL 89 Ca 0.00 2.07 0.03 0.00 0.00 0.00 0.00 61.98 64.07 1xf4 s VAL 89 Cb 0.00 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1xf4 s VAL 89 CO 0.00 0.34 -0.20 -0.31 0.00 0.00 0.00 175.10 174.93 1xf4 s TYR 90 N -0.14 2.65 0.05 5.22 2.02 0.02 -0.30 117.35 126.88 1xf4 s TYR 90 Ca 0.46 -0.89 0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1xf4 s TYR 90 Cb -0.24 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1xf4 s TYR 90 CO 0.30 -0.34 -0.14 0.71 -1.57 0.00 0.00 175.55 174.51 1xf4 s TYR 91 N 0.32 2.66 -0.11 2.71 2.02 0.13 -0.38 117.35 124.70 1xf4 s TYR 91 Ca -0.16 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.29 1xf4 s TYR 91 Cb -0.17 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1xf4 s TYR 91 CO 0.08 0.33 0.11 0.00 -1.57 0.00 0.00 175.55 174.49 1xf4 s VAL 93 N -1.01 -0.01 0.40 0.00 1.01 -0.17 -1.92 120.40 118.70 1xf4 s VAL 93 Ca 0.15 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1xf4 s VAL 93 Cb -0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 1xf4 s VAL 93 CO 0.04 0.15 1.21 -0.60 0.00 0.00 0.00 175.10 175.89 1xf4 s ARG 94 N 1.57 4.04 -1.10 2.72 3.52 0.20 -0.65 118.95 129.25 1xf4 s ARG 94 Ca -0.03 1.93 -0.04 0.00 -0.13 0.00 0.00 55.73 57.47 1xf4 s ARG 94 Cb -0.13 -2.71 0.29 0.00 -1.56 0.00 0.00 34.95 30.84 1xf4 s ARG 94 CO -0.03 -0.36 1.69 0.41 -0.81 0.00 0.00 175.30 176.20 1xf4 n GLY 95 N 0.66 5.46 5.00 8.12 0.00 -0.73 -2.02 105.19 121.69 1xf4 n GLY 95 Ca 0.04 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.51 1xf4 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xf4 n GLY 96 N 1.02 -0.05 2.57 -0.02 0.00 0.69 -4.56 105.19 104.84 1xf4 n GLY 96 Ca 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1xf4 n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xf4 n TYR 97 N 0.00 -3.38 0.00 1.61 0.53 -1.26 -4.85 117.16 109.81 1xf4 n TYR 97 Ca 0.00 1.48 0.00 0.00 -1.02 0.00 0.00 57.90 58.36 1xf4 n TYR 97 Cb 0.00 -3.69 0.00 0.00 -1.03 0.00 0.00 39.34 34.62 1xf4 n TYR 97 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1xf4 n ARG 98 N 0.44 0.00 0.00 -0.72 5.12 -1.26 -4.98 116.66 115.26 1xf4 n ARG 98 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1xf4 n ARG 98 Cb 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 1xf4 n ARG 98 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1xf4 n PRO 99 N 0.00 0.00 -3.80 5.56 -0.06 -1.26 -5.18 135.00 130.26 1xf4 n PRO 99 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 63.50 63.14 1xf4 n PRO 99 Cb 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 33.50 33.29 1xf4 n PRO 99 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 175.50 174.97 1xf4 s TYR 100 N 0.00 2.17 -0.04 0.54 5.04 -1.26 -5.13 117.35 118.68 1xf4 s TYR 100 Ca 0.00 -2.00 -0.22 0.00 -2.44 0.00 0.00 57.07 52.41 1xf4 s TYR 100 Cb 0.00 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.30 1xf4 s TYR 100 CO 0.00 -0.88 0.64 0.00 -1.34 0.00 0.00 175.55 173.97 1xf4 s ALA 100 N 1.46 3.41 -0.07 3.97 0.00 -1.26 -4.80 121.76 124.46 1xf4 s ALA 100 Ca 0.09 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1xf4 s ALA 100 Cb -0.18 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1xf4 s ALA 100 CO -0.20 0.03 1.67 -1.64 0.00 0.00 0.00 175.76 175.62 1xf4 s MET 100 N 0.30 4.11 -0.08 0.00 1.00 -1.26 -0.22 119.30 123.16 1xf4 s MET 100 Ca 0.34 2.14 -0.00 0.00 0.00 0.00 0.00 55.69 58.16 1xf4 s MET 100 Cb -0.18 -4.00 -0.05 0.00 0.00 0.00 0.00 34.83 30.60 1xf4 s MET 100 CO 0.17 -0.93 -0.07 -0.40 0.00 0.00 0.00 175.02 173.79 1xf4 n ASP 101 N 7.39 2.78 -4.34 3.03 5.68 -0.86 -4.87 116.55 125.37 1xf4 n ASP 101 Ca 0.18 -0.01 -0.36 0.00 -0.50 0.00 0.00 54.79 54.10 1xf4 n ASP 101 Cb 0.43 -0.14 -0.13 0.00 -1.14 0.00 0.00 41.12 40.13 1xf4 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1xf4 s TYR 102 N -2.15 3.04 -0.11 2.11 2.02 -1.24 -4.95 117.35 116.06 1xf4 s TYR 102 Ca -0.10 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 55.67 1xf4 s TYR 102 Cb 0.03 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1xf4 s TYR 102 CO 0.17 -0.53 0.05 -1.58 -1.57 0.00 0.00 175.55 172.09 1xf4 s TRP 103 N 1.50 3.31 0.72 2.71 0.52 -1.26 -0.63 118.94 125.81 1xf4 s TRP 103 Ca 0.05 0.26 -0.12 0.00 0.02 0.00 0.00 56.10 56.31 1xf4 s TRP 103 Cb -0.15 -1.89 0.16 0.00 -1.15 0.00 0.00 33.47 30.44 1xf4 s TRP 103 CO -0.00 0.48 0.98 0.41 0.02 0.00 0.00 176.95 178.84 1xf4 n GLY 104 N 2.37 -1.33 0.23 0.98 0.00 -0.81 -4.81 105.19 101.83 1xf4 n GLY 104 Ca -0.19 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.25 1xf4 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xf4 h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.46 115.11 111.34 1xf4 h GLN 105 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1xf4 h GLN 105 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.36 1xf4 h GLN 105 CO 0.23 0.06 0.00 0.41 -0.00 0.00 0.00 178.83 179.53 1xf4 n GLY 106 N 0.70 1.21 3.05 0.06 0.00 -1.26 -5.02 105.19 103.93 1xf4 n GLY 106 Ca 0.02 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1xf4 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf4 s THR 107 N -2.79 1.69 -0.09 2.61 2.01 0.49 -4.83 115.64 114.72 1xf4 s THR 107 Ca 0.00 -0.71 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 1xf4 s THR 107 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1xf4 s THR 107 CO 0.00 0.48 0.65 -0.55 -0.69 0.00 0.00 174.62 174.50 1xf4 s SER 108 N 1.34 6.89 -0.12 3.53 0.15 -1.26 -0.80 113.70 123.43 1xf4 s SER 108 Ca 0.03 1.07 0.03 0.00 0.70 0.00 0.00 55.95 57.77 1xf4 s SER 108 Cb -0.13 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1xf4 s SER 108 CO -0.09 -0.11 -0.20 -0.69 1.20 0.00 0.00 173.24 173.35 1xf4 s VAL 109 N 0.91 1.83 -0.31 4.45 1.01 -0.74 0.85 120.40 128.39 1xf4 s VAL 109 Ca 0.34 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1xf4 s VAL 109 Cb -0.17 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.62 1xf4 s VAL 109 CO 0.15 0.51 0.06 -0.89 0.00 0.00 0.00 175.10 174.93 1xf4 s THR 110 N 0.75 3.65 -0.65 3.92 2.01 0.32 -1.41 115.64 124.23 1xf4 s THR 110 Ca -0.10 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 1xf4 s THR 110 Cb -0.16 -2.98 0.12 0.00 0.01 0.00 0.00 72.50 69.50 1xf4 s THR 110 CO 0.01 -0.03 0.74 -0.69 -0.69 0.00 0.00 174.62 173.96 1xf4 s VAL 111 N 1.41 4.94 0.03 3.82 1.01 -1.26 -1.66 120.40 128.69 1xf4 s VAL 111 Ca -0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1xf4 s VAL 111 Cb -0.18 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 1xf4 s VAL 111 CO 0.01 -1.14 -0.02 -0.55 0.00 0.00 0.00 175.10 173.41 1xf4 s SER 112 N 3.45 0.28 0.17 3.32 0.15 0.10 -4.14 113.70 117.02 1xf4 s SER 112 Ca 0.14 -0.60 0.24 0.00 0.70 0.00 0.00 55.95 56.42 1xf4 s SER 112 Cb -0.21 0.13 0.30 0.00 -1.71 0.00 0.00 66.02 64.54 1xf4 s SER 112 CO 0.02 -0.38 1.31 0.77 1.20 0.00 0.00 173.24 176.16 1xf4 h SER 113 N 4.24 0.00 -4.00 5.45 4.64 -1.93 -3.25 113.55 118.69 1xf4 h SER 113 Ca -0.32 -0.14 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 1xf4 h SER 113 Cb 1.19 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.46 1xf4 h SER 113 CO 0.47 0.07 0.27 0.00 -0.87 0.00 0.00 176.83 176.77 1xf4 n ALA 114 N -1.92 0.08 -2.43 5.18 0.00 -1.26 -5.00 120.51 115.15 1xf4 n ALA 114 Ca 0.03 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 1xf4 n ALA 114 Cb 0.47 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 1xf4 n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xf4 s LYS 115 N -3.67 1.34 0.16 0.00 3.01 -1.26 -5.00 119.74 114.32 1xf4 s LYS 115 Ca 0.75 -1.32 -0.34 0.00 -1.01 0.00 0.00 55.97 54.06 1xf4 s LYS 115 Cb -0.33 -1.75 -0.15 0.00 -1.01 0.00 0.00 37.83 34.59 1xf4 s LYS 115 CO 0.49 0.41 1.33 2.41 0.51 0.00 0.00 175.35 180.50 1xf4 n THR 116 N 0.89 0.53 -3.70 2.17 -1.04 -1.26 -4.67 114.28 107.20 1xf4 n THR 116 Ca -0.18 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.05 61.59 1xf4 n THR 116 Cb 0.53 -1.09 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 1xf4 n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xf4 s THR 117 N 0.19 -0.02 0.65 12.58 2.01 0.44 -4.93 115.64 126.56 1xf4 s THR 117 Ca 0.76 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.71 1xf4 s THR 117 Cb -0.81 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1xf4 s THR 117 CO 0.48 0.03 1.04 -2.16 -0.69 0.00 0.00 174.62 173.32 1xf4 s PRO 118 N 1.06 3.26 0.38 4.92 0.04 -1.26 -1.08 135.00 142.32 1xf4 s PRO 118 Ca -0.07 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 61.77 1xf4 s PRO 118 Cb -0.07 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1xf4 s PRO 118 CO -0.09 -0.84 0.71 -1.25 0.04 0.00 0.00 177.00 175.57 1xf4 s PRO 119 N -5.01 3.73 -0.04 0.56 0.04 -1.26 -4.27 135.00 128.75 1xf4 s PRO 119 Ca 0.57 0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.78 1xf4 s PRO 119 Cb -0.13 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1xf4 s PRO 119 CO 0.53 0.02 0.45 -1.12 0.04 0.00 0.00 177.00 176.91 1xf4 s SER 120 N -3.22 6.79 -0.30 6.66 0.01 -0.52 -4.92 113.70 118.19 1xf4 s SER 120 Ca 0.49 0.93 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 1xf4 s SER 120 Cb -0.10 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.91 1xf4 s SER 120 CO 0.32 0.20 0.00 -0.69 0.41 0.00 0.00 173.24 173.47 1xf4 s VAL 121 N -0.43 2.89 -0.09 3.43 1.01 -1.26 -1.30 120.40 124.65 1xf4 s VAL 121 Ca 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1xf4 s VAL 121 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1xf4 s VAL 121 CO 0.13 -0.15 -0.10 -0.31 0.00 0.00 0.00 175.10 174.67 1xf4 s TYR 122 N 1.22 2.87 0.80 5.22 1.51 -0.35 -4.91 117.35 123.71 1xf4 s TYR 122 Ca -0.04 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1xf4 s TYR 122 Cb -0.20 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1xf4 s TYR 122 CO -0.02 0.11 1.09 -1.25 -1.11 0.00 0.00 175.55 174.37 1xf4 s PRO 123 N -0.31 2.04 -0.31 -1.71 0.04 -1.26 -0.12 135.00 133.36 1xf4 s PRO 123 Ca 0.04 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1xf4 s PRO 123 Cb -0.13 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1xf4 s PRO 123 CO 0.02 -1.75 0.15 -0.51 0.04 0.00 0.00 177.00 174.95 1xf4 s LEU 124 N -5.96 1.01 0.02 -3.56 1.43 -0.85 -4.72 118.68 106.05 1xf4 s LEU 124 Ca 0.61 -1.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.17 1xf4 s LEU 124 Cb -0.17 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 1xf4 s LEU 124 CO 0.56 -0.40 -0.13 0.00 0.23 0.00 0.00 176.35 176.61 1xf4 s ALA 125 N 1.72 2.78 0.00 4.21 0.00 -1.26 -0.47 121.76 128.74 1xf4 s ALA 125 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1xf4 s ALA 125 Cb -0.18 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1xf4 s ALA 125 CO -0.25 0.59 0.00 -2.30 0.00 0.00 0.00 175.76 173.80 1xf4 n PRO 126 N 1.56 3.55 0.10 0.00 -0.02 -1.26 -4.92 135.00 134.01 1xf4 n PRO 126 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1xf4 n PRO 126 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1xf4 n PRO 126 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xf4 n SER 134 N 0.00 0.00 -4.35 2.55 3.41 -1.26 -4.90 113.62 109.07 1xf4 n SER 134 Ca 0.00 0.15 -0.25 0.00 -0.26 0.00 0.00 58.87 58.52 1xf4 n SER 134 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1xf4 n SER 134 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xf4 s MET 135 N -2.02 1.30 -0.04 4.33 1.00 -1.26 -1.31 119.30 121.31 1xf4 s MET 135 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 55.69 54.37 1xf4 s MET 135 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 34.83 33.28 1xf4 s MET 135 CO 0.00 0.34 -0.13 0.14 0.00 0.00 0.00 175.02 175.37 1xf4 s VAL 136 N -1.56 1.11 -0.37 -6.03 -7.23 0.63 -4.63 120.40 102.32 1xf4 s VAL 136 Ca 0.14 -0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 1xf4 s VAL 136 Cb -0.08 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1xf4 s VAL 136 CO 0.07 0.33 0.25 -0.89 -0.31 0.00 0.00 175.10 174.55 1xf4 s THR 137 N 0.17 5.11 0.32 5.32 2.01 -1.26 -0.44 115.64 126.86 1xf4 s THR 137 Ca -0.04 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.49 1xf4 s THR 137 Cb -0.11 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1xf4 s THR 137 CO 0.02 -0.17 0.38 -0.76 -0.69 0.00 0.00 174.62 173.39 1xf4 s LEU 138 N 1.67 3.88 0.00 4.42 1.43 0.96 -4.73 118.68 126.31 1xf4 s LEU 138 Ca 0.05 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1xf4 s LEU 138 Cb -0.18 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1xf4 s LEU 138 CO 0.09 -0.33 0.25 0.61 0.23 0.00 0.00 176.35 177.20 1xf4 n GLY 139 N -1.49 3.03 3.40 -3.19 0.00 0.38 -0.47 105.19 106.84 1xf4 n GLY 139 Ca -0.02 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1xf4 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf4 s LEU 141 N 1.52 2.54 -0.42 0.00 2.96 0.83 -0.97 118.68 125.13 1xf4 s LEU 141 Ca -0.10 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1xf4 s LEU 141 Cb -0.07 -1.59 0.10 0.00 0.50 0.00 0.00 46.19 45.12 1xf4 s LEU 141 CO -0.15 0.06 0.24 -0.69 -1.32 0.00 0.00 176.35 174.49 1xf4 s VAL 142 N 0.97 3.78 -0.09 1.68 1.01 0.71 -1.21 120.40 127.25 1xf4 s VAL 142 Ca -0.02 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1xf4 s VAL 142 Cb -0.15 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1xf4 s VAL 142 CO -0.02 -0.61 -0.12 -0.75 0.00 0.00 0.00 175.10 173.60 1xf4 s LYS 143 N 1.29 2.92 -0.73 2.72 2.20 -0.42 -1.02 119.74 126.70 1xf4 s LYS 143 Ca 0.05 -0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1xf4 s LYS 143 Cb -0.23 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 1xf4 s LYS 143 CO -0.01 0.48 0.62 0.41 -0.36 0.00 0.00 175.35 176.49 1xf4 n GLY 144 N 2.76 -0.32 3.59 5.54 0.00 0.12 -1.44 105.19 115.45 1xf4 n GLY 144 Ca -0.18 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1xf4 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf4 s TYR 145 N -3.25 2.48 -0.23 1.61 1.13 -0.66 -4.32 117.35 114.11 1xf4 s TYR 145 Ca 0.19 -0.50 -0.27 0.00 -1.41 0.00 0.00 57.07 55.08 1xf4 s TYR 145 Cb -0.03 -1.50 0.12 0.00 -1.10 0.00 0.00 41.96 39.46 1xf4 s TYR 145 CO 0.48 0.51 1.01 0.12 -2.51 0.00 0.00 175.55 175.16 1xf4 s PHE 146 N -2.59 -0.44 0.00 -3.49 5.36 -0.24 -0.69 117.98 115.89 1xf4 s PHE 146 Ca 0.34 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1xf4 s PHE 146 Cb 0.03 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1xf4 s PHE 146 CO 0.18 -0.28 0.00 -0.35 -1.46 0.00 0.00 175.22 173.31 1xf4 n PRO 147 N 1.64 0.78 -1.82 10.12 -0.04 -1.26 -0.42 135.00 143.99 1xf4 n PRO 147 Ca -0.12 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.03 1xf4 n PRO 147 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1xf4 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf4 s GLU 148 N -1.21 3.47 0.47 0.54 0.41 -1.26 -4.79 118.70 116.32 1xf4 s GLU 148 Ca 0.00 0.80 0.05 0.00 -0.41 0.00 0.00 54.97 55.41 1xf4 s GLU 148 Cb 0.00 -2.06 0.05 0.00 -1.78 0.00 0.00 34.13 30.33 1xf4 s GLU 148 CO 0.00 -0.68 0.39 -0.35 -0.49 0.00 0.00 175.26 174.13 1xf4 n PRO 149 N -2.79 0.79 -4.28 0.39 -0.04 -1.26 -4.93 135.00 122.88 1xf4 n PRO 149 Ca 0.06 -2.87 -0.20 0.00 -0.04 0.00 0.00 63.50 60.46 1xf4 n PRO 149 Cb 0.54 0.25 -0.11 0.00 -0.04 0.00 0.00 33.50 34.14 1xf4 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xf4 s VAL 150 N -2.27 1.53 -0.04 0.52 -7.23 -1.26 -4.37 120.40 107.28 1xf4 s VAL 150 Ca 0.29 -1.77 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1xf4 s VAL 150 Cb -0.02 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1xf4 s VAL 150 CO 0.19 -0.36 -0.23 0.42 -0.31 0.00 0.00 175.10 174.81 1xf4 s THR 151 N -2.04 2.29 -0.01 5.32 -4.23 -0.58 -4.95 115.64 111.44 1xf4 s THR 151 Ca 0.11 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1xf4 s THR 151 Cb -0.06 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1xf4 s THR 151 CO 0.04 0.58 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.78 1xf4 s VAL 152 N -0.48 1.87 0.32 2.29 1.01 -1.26 -1.57 120.40 122.57 1xf4 s VAL 152 Ca 0.06 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1xf4 s VAL 152 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1xf4 s VAL 152 CO 0.01 0.50 0.17 0.42 0.00 0.00 0.00 175.10 176.20 1xf4 s THR 153 N -0.58 0.30 -0.05 3.92 -4.23 -0.72 -4.98 115.64 109.29 1xf4 s THR 153 Ca 0.09 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1xf4 s THR 153 Cb -0.09 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1xf4 s THR 153 CO -0.01 0.00 -0.06 0.26 -0.54 0.00 0.00 174.62 174.27 1xf4 s TRP 154 N -3.56 0.93 -1.61 3.99 0.52 -1.26 -0.62 118.94 117.32 1xf4 s TRP 154 Ca 0.35 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 56.02 1xf4 s TRP 154 Cb 0.04 -0.76 0.12 0.00 -1.15 0.00 0.00 33.47 31.72 1xf4 s TRP 154 CO 0.19 -0.21 0.88 0.09 0.02 0.00 0.00 176.95 177.91 1xf4 n ASN 155 N 3.97 -4.10 -3.86 2.95 4.13 0.27 -1.75 115.26 116.88 1xf4 n ASN 155 Ca -0.25 -0.87 -0.30 0.00 1.68 0.00 0.00 54.58 54.84 1xf4 n ASN 155 Cb 0.51 -3.31 0.02 0.00 -1.54 0.00 0.00 39.78 35.46 1xf4 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xf4 n SER 156 N -2.72 -4.74 0.00 6.41 7.64 -1.26 -0.53 113.62 118.42 1xf4 n SER 156 Ca 0.06 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1xf4 n SER 156 Cb 0.51 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1xf4 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf4 n GLY 157 N -1.63 0.84 0.21 0.23 0.00 -0.72 -4.92 105.19 99.21 1xf4 n GLY 157 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1xf4 n GLY 157 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xf4 h SER 158 N 0.00 0.23 -3.41 1.61 0.87 -0.79 -3.34 113.55 108.73 1xf4 h SER 158 Ca 0.00 0.05 -0.77 0.00 -1.23 0.00 0.00 61.79 59.84 1xf4 h SER 158 Cb 0.00 0.02 -0.25 0.00 -0.44 0.00 0.00 62.40 61.74 1xf4 h SER 158 CO 0.00 0.16 -0.05 -0.76 -0.53 0.00 0.00 176.83 175.65 1xf4 s LEU 159 N -10.34 6.41 -0.24 2.23 1.43 -1.12 -4.86 118.68 112.18 1xf4 s LEU 159 Ca -0.13 -2.19 0.07 0.00 -1.03 0.00 0.00 54.13 50.85 1xf4 s LEU 159 Cb 0.15 -2.21 -0.19 0.00 0.03 0.00 0.00 46.19 43.96 1xf4 s LEU 159 CO 0.73 -0.74 -0.14 -1.54 0.23 0.00 0.00 176.35 174.89 1xf4 n SER 160 N 4.72 1.39 -4.81 2.29 3.41 -1.26 -4.37 113.62 115.00 1xf4 n SER 160 Ca -0.01 -0.10 -0.37 0.00 -0.26 0.00 0.00 58.87 58.13 1xf4 n SER 160 Cb 0.43 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1xf4 n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xf4 s SER 161 N -6.21 7.13 -0.43 4.04 1.04 -1.26 -3.97 113.70 114.03 1xf4 s SER 161 Ca -0.28 1.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.56 1xf4 s SER 161 Cb 0.08 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1xf4 s SER 161 CO 0.67 0.14 0.25 0.61 0.98 0.00 0.00 173.24 175.89 1xf4 n GLY 162 N 1.18 0.41 3.35 7.32 0.00 -1.26 -4.75 105.19 111.43 1xf4 n GLY 162 Ca -0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1xf4 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf4 s VAL 163 N -2.88 2.47 -0.18 1.61 1.01 -1.25 -1.37 120.40 119.81 1xf4 s VAL 163 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1xf4 s VAL 163 Cb -0.06 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1xf4 s VAL 163 CO 0.16 0.57 -0.10 -1.00 0.00 0.00 0.00 175.10 174.73 1xf4 s HIS 164 N -0.36 2.15 -0.30 5.22 3.76 -0.58 -4.98 115.29 120.20 1xf4 s HIS 164 Ca 0.03 -1.35 0.01 0.00 -0.15 0.00 0.00 55.06 53.60 1xf4 s HIS 164 Cb -0.12 -1.53 0.07 0.00 1.11 0.00 0.00 32.58 32.10 1xf4 s HIS 164 CO 0.02 -0.69 -0.01 0.99 -0.85 0.00 0.00 174.74 174.20 1xf4 s THR 165 N 1.49 2.53 0.34 1.30 2.01 -1.26 -0.56 115.64 121.49 1xf4 s THR 165 Ca 0.01 -1.76 -0.18 0.00 0.31 0.00 0.00 61.69 60.07 1xf4 s THR 165 Cb -0.15 -2.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.68 1xf4 s THR 165 CO -0.09 -0.24 0.81 -0.36 -0.69 0.00 0.00 174.62 174.06 1xf4 s PHE 166 N 1.10 3.41 0.48 4.92 0.08 -0.71 -5.03 117.98 122.23 1xf4 s PHE 166 Ca -0.02 1.39 -0.24 0.00 0.12 0.00 0.00 56.93 58.18 1xf4 s PHE 166 Cb -0.20 -2.67 -0.08 0.00 -0.57 0.00 0.00 43.02 39.51 1xf4 s PHE 166 CO -0.04 0.07 1.36 -2.30 -0.10 0.00 0.00 175.22 174.20 1xf4 n PRO 167 N -0.25 1.97 -2.38 0.24 -0.02 -1.26 -4.30 135.00 129.00 1xf4 n PRO 167 Ca 0.04 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1xf4 n PRO 167 Cb 0.53 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1xf4 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf4 s ALA 168 N -1.23 2.90 -0.05 3.55 0.00 -1.26 -4.81 121.76 120.86 1xf4 s ALA 168 Ca 0.65 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.45 1xf4 s ALA 168 Cb -0.45 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 1xf4 s ALA 168 CO 0.55 -0.52 -0.25 0.14 0.00 0.00 0.00 175.76 175.68 1xf4 s VAL 169 N -1.73 2.03 -0.39 0.00 -7.23 0.49 -4.92 120.40 108.64 1xf4 s VAL 169 Ca 0.66 -1.07 -0.27 0.00 -1.81 0.00 0.00 61.98 59.49 1xf4 s VAL 169 Cb -0.23 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1xf4 s VAL 169 CO 0.28 0.57 2.21 -0.22 -0.31 0.00 0.00 175.10 177.62 1xf4 s LEU 170 N -0.28 3.41 -0.77 1.32 2.96 -1.26 -1.59 118.68 122.47 1xf4 s LEU 170 Ca 0.00 1.29 -0.10 0.00 -0.22 0.00 0.00 54.13 55.10 1xf4 s LEU 170 Cb -0.13 -2.97 0.20 0.00 0.50 0.00 0.00 46.19 43.80 1xf4 s LEU 170 CO 0.02 -2.37 0.68 -1.58 -1.32 0.00 0.00 176.35 171.77 1xf4 s GLN 171 N 7.17 3.30 -0.82 1.98 0.74 0.44 -4.75 119.66 127.70 1xf4 s GLN 171 Ca 0.93 -2.52 -0.02 0.00 0.05 0.00 0.00 55.36 53.80 1xf4 s GLN 171 Cb -0.22 -4.21 -0.02 0.00 1.10 0.00 0.00 33.01 29.66 1xf4 s GLN 171 CO 0.29 -1.25 0.75 -1.13 -0.55 0.00 0.00 175.29 173.40 1xf4 n SER 172 N 3.75 -7.35 0.00 6.67 3.41 -1.26 -2.75 113.62 116.09 1xf4 n SER 172 Ca 0.12 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1xf4 n SER 172 Cb 0.44 -5.07 0.00 0.00 -0.26 0.00 0.00 64.21 59.32 1xf4 n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xf4 n ASP 173 N -2.15 -1.97 -4.24 4.04 9.92 -1.26 -4.95 116.55 115.94 1xf4 n ASP 173 Ca -0.03 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.04 1xf4 n ASP 173 Cb 0.54 -2.54 -0.11 0.00 -0.64 0.00 0.00 41.12 38.36 1xf4 n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xf4 s LEU 174 N 0.00 2.38 0.10 0.64 1.02 -1.11 -4.88 118.68 116.84 1xf4 s LEU 174 Ca 0.00 -0.78 -0.14 0.00 0.02 0.00 0.00 54.13 53.23 1xf4 s LEU 174 Cb 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 46.19 45.56 1xf4 s LEU 174 CO 0.00 -0.12 0.50 -0.31 0.02 0.00 0.00 176.35 176.44 1xf4 s TYR 175 N -1.97 3.64 -0.03 0.29 2.02 0.14 0.17 117.35 121.61 1xf4 s TYR 175 Ca 0.08 1.01 0.03 0.00 -0.37 0.00 0.00 57.07 57.83 1xf4 s TYR 175 Cb -0.06 -2.32 -0.00 0.00 -0.40 0.00 0.00 41.96 39.17 1xf4 s TYR 175 CO 0.03 0.50 -0.12 0.99 -1.57 0.00 0.00 175.55 175.38 1xf4 s THR 176 N -1.35 1.00 0.08 -0.71 2.01 -0.62 -0.70 115.64 115.35 1xf4 s THR 176 Ca 0.34 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 1xf4 s THR 176 Cb -0.16 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1xf4 s THR 176 CO 0.18 0.30 0.11 -0.22 -0.69 0.00 0.00 174.62 174.30 1xf4 s LEU 177 N 0.02 1.80 0.15 4.42 0.20 -0.19 -0.38 118.68 124.70 1xf4 s LEU 177 Ca -0.01 -0.79 0.00 0.00 0.69 0.00 0.00 54.13 54.02 1xf4 s LEU 177 Cb -0.08 0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 46.36 1xf4 s LEU 177 CO 0.01 -0.69 0.03 -0.94 -0.29 0.00 0.00 176.35 174.46 1xf4 s SER 178 N -2.89 0.80 -0.05 3.68 1.04 -1.26 -0.21 113.70 114.81 1xf4 s SER 178 Ca 0.06 -1.19 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 1xf4 s SER 178 Cb 0.06 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1xf4 s SER 178 CO -0.10 -0.64 0.12 -0.55 0.98 0.00 0.00 173.24 173.05 1xf4 s SER 179 N -3.11 -0.09 0.07 7.02 0.15 -0.14 -1.74 113.70 115.85 1xf4 s SER 179 Ca 0.24 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1xf4 s SER 179 Cb 0.07 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1xf4 s SER 179 CO 0.03 -0.11 -0.16 -0.94 1.20 0.00 0.00 173.24 173.26 1xf4 s SER 180 N 0.79 3.98 -0.03 5.45 1.04 0.28 -0.94 113.70 124.26 1xf4 s SER 180 Ca -0.06 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1xf4 s SER 180 Cb -0.08 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.40 1xf4 s SER 180 CO -0.04 0.23 -0.02 0.54 0.98 0.00 0.00 173.24 174.93 1xf4 s VAL 181 N -1.03 0.33 -0.13 5.02 0.11 0.38 -1.52 120.40 123.55 1xf4 s VAL 181 Ca 0.17 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1xf4 s VAL 181 Cb -0.11 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1xf4 s VAL 181 CO 0.08 0.17 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.08 1xf4 s THR 182 N 0.90 3.81 0.11 5.04 2.01 -0.47 -0.03 115.64 127.00 1xf4 s THR 182 Ca -0.10 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 1xf4 s THR 182 Cb -0.13 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1xf4 s THR 182 CO -0.01 0.52 0.12 0.68 -0.69 0.00 0.00 174.62 175.24 1xf4 s VAL 183 N 0.07 0.13 0.28 3.82 -7.23 0.41 -4.74 120.40 113.14 1xf4 s VAL 183 Ca -0.01 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1xf4 s VAL 183 Cb -0.14 -1.68 -0.11 0.00 0.56 0.00 0.00 36.38 35.01 1xf4 s VAL 183 CO 0.03 -0.61 1.50 -2.84 -0.31 0.00 0.00 175.10 172.87 1xf4 s PRO 184 N -3.95 4.20 0.22 4.82 0.02 -1.26 -0.27 135.00 138.78 1xf4 s PRO 184 Ca 0.13 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 63.50 1xf4 s PRO 184 Cb 0.06 -3.06 0.31 0.00 0.02 0.00 0.00 34.50 31.83 1xf4 s PRO 184 CO -0.05 -0.50 1.76 1.03 -0.33 0.00 0.00 177.00 178.91 1xf4 h SER 185 N 4.76 0.33 -0.95 2.53 0.87 -1.46 -2.00 113.55 117.63 1xf4 h SER 185 Ca -0.47 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1xf4 h SER 185 Cb 1.22 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 1xf4 h SER 185 CO 0.77 0.19 0.61 0.28 -0.53 0.00 0.00 176.83 178.15 1xf4 h SER 186 N 0.49 1.02 0.40 6.23 0.02 -1.91 -2.55 113.55 117.25 1xf4 h SER 186 Ca 0.33 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1xf4 h SER 186 Cb 0.39 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1xf4 h SER 186 CO -0.30 0.69 0.00 0.71 -1.14 0.00 0.00 176.83 176.80 1xf4 h THR 187 N 1.18 0.00 -3.84 -2.27 1.35 -1.75 -3.42 112.91 104.16 1xf4 h THR 187 Ca 0.38 -0.17 -0.58 0.00 -0.55 0.00 0.00 66.41 65.49 1xf4 h THR 187 Cb 0.03 0.98 -0.32 0.00 -1.73 0.00 0.00 68.15 67.11 1xf4 h THR 187 CO -0.13 0.00 -0.84 0.86 -0.25 0.00 0.00 175.52 175.16 1xf4 s TRP 188 N -3.71 1.84 -1.49 4.73 -0.00 -0.96 0.64 118.94 119.99 1xf4 s TRP 188 Ca -0.01 -0.56 0.18 0.00 -0.00 0.00 0.00 56.10 55.70 1xf4 s TRP 188 Cb 0.10 -1.24 0.62 0.00 -0.00 0.00 0.00 33.47 32.94 1xf4 s TRP 188 CO 0.38 -0.20 1.51 -0.35 -0.00 0.00 0.00 176.95 178.30 1xf4 n PRO 189 N 3.20 3.09 0.01 5.86 -0.04 -1.26 -4.91 135.00 140.95 1xf4 n PRO 189 Ca -0.18 -2.46 -0.12 0.00 -0.04 0.00 0.00 63.50 60.69 1xf4 n PRO 189 Cb 0.53 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1xf4 n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xf4 h SER 190 N 3.70 -1.32 -3.50 3.54 4.64 -1.80 -3.36 113.55 115.45 1xf4 h SER 190 Ca 0.00 0.17 -0.53 0.00 -0.47 0.00 0.00 61.79 60.96 1xf4 h SER 190 Cb 1.15 0.53 -0.02 0.00 -0.31 0.00 0.00 62.40 63.75 1xf4 h SER 190 CO 0.13 -0.43 0.32 -1.61 -0.87 0.00 0.00 176.83 174.37 1xf4 s GLU 191 N -5.88 4.63 0.45 4.77 2.02 0.21 -5.04 118.70 119.85 1xf4 s GLU 191 Ca -0.15 1.36 -0.21 0.00 0.02 0.00 0.00 54.97 55.99 1xf4 s GLU 191 Cb 0.09 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.82 1xf4 s GLU 191 CO 0.64 0.16 0.98 0.95 0.02 0.00 0.00 175.26 178.01 1xf4 s THR 192 N 0.26 4.21 -0.06 3.63 -4.23 -1.26 -4.53 115.64 113.66 1xf4 s THR 192 Ca 0.46 1.37 0.03 0.00 -1.18 0.00 0.00 61.69 62.37 1xf4 s THR 192 Cb -0.22 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.07 1xf4 s THR 192 CO 0.28 -0.30 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.22 1xf4 s VAL 193 N -2.13 1.28 -0.02 2.29 1.01 -1.26 -5.00 120.40 116.57 1xf4 s VAL 193 Ca 0.64 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xf4 s VAL 193 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1xf4 s VAL 193 CO 0.16 0.38 0.03 -0.89 0.00 0.00 0.00 175.10 174.78 1xf4 s THR 194 N 0.36 -0.05 -0.16 3.92 2.01 -1.26 -1.26 115.64 119.20 1xf4 s THR 194 Ca -0.10 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 1xf4 s THR 194 Cb -0.14 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 1xf4 s THR 194 CO 0.03 0.07 0.22 0.00 -0.69 0.00 0.00 174.62 174.26 1xf4 s ASN 196 N 0.19 5.67 -0.13 0.00 -0.87 0.21 -2.48 114.94 117.53 1xf4 s ASN 196 Ca 0.14 -1.27 -0.05 0.00 -1.57 0.00 0.00 52.86 50.11 1xf4 s ASN 196 Cb -0.12 -2.00 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 1xf4 s ASN 196 CO 0.02 -0.47 0.04 -0.69 -2.57 0.00 0.00 177.10 173.43 1xf4 s VAL 197 N 1.48 4.62 -0.03 1.60 1.01 0.12 -1.75 120.40 127.45 1xf4 s VAL 197 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1xf4 s VAL 197 Cb -0.21 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xf4 s VAL 197 CO 0.04 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 1xf4 s ALA 198 N -0.33 1.14 -0.53 5.51 0.00 -0.61 0.99 121.76 127.94 1xf4 s ALA 198 Ca 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1xf4 s ALA 198 Cb -0.12 -0.36 0.15 0.00 0.00 0.00 0.00 23.12 22.79 1xf4 s ALA 198 CO 0.02 0.23 0.34 -1.58 0.00 0.00 0.00 175.76 174.76 1xf4 s HIS 199 N -0.03 2.54 0.49 0.00 2.46 -0.38 -1.52 115.29 118.85 1xf4 s HIS 199 Ca -0.00 -2.82 0.20 0.00 0.47 0.00 0.00 55.06 52.90 1xf4 s HIS 199 Cb -0.08 -2.15 1.24 0.00 -0.13 0.00 0.00 32.58 31.46 1xf4 s HIS 199 CO 0.01 -0.71 2.00 -1.35 -2.47 0.00 0.00 174.74 172.22 1xf4 h PRO 200 N 6.10 0.16 -0.56 2.88 0.11 -1.81 -1.06 132.00 137.82 1xf4 h PRO 200 Ca 0.07 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.18 1xf4 h PRO 200 Cb 0.86 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1xf4 h PRO 200 CO 0.57 0.10 0.37 0.00 -0.21 0.00 0.00 178.00 178.84 1xf4 h ALA 201 N 1.74 1.63 -0.13 -0.75 0.00 -1.90 -2.05 119.26 117.80 1xf4 h ALA 201 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xf4 h ALA 201 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xf4 h ALA 201 CO -0.04 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1xf4 n SER 202 N -4.46 3.05 -3.98 0.00 3.41 -0.49 -4.97 113.62 106.18 1xf4 n SER 202 Ca 0.06 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 1xf4 n SER 202 Cb 0.07 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1xf4 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf4 n SER 203 N 1.33 -3.47 -4.42 4.04 7.64 -0.68 -4.97 113.62 113.09 1xf4 n SER 203 Ca 0.15 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 1xf4 n SER 203 Cb 0.58 -3.50 -0.14 0.00 -1.01 0.00 0.00 64.21 60.14 1xf4 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf4 s THR 204 N -3.42 3.19 -0.08 0.44 2.01 -1.15 -5.01 115.64 111.61 1xf4 s THR 204 Ca 0.53 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1xf4 s THR 204 Cb -0.28 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 69.91 1xf4 s THR 204 CO 0.86 0.54 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.59 1xf4 s LYS 205 N 0.03 2.52 0.09 4.92 1.02 -1.26 -1.25 119.74 125.81 1xf4 s LYS 205 Ca -0.04 -0.73 0.10 0.00 0.02 0.00 0.00 55.97 55.32 1xf4 s LYS 205 Cb -0.14 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1xf4 s LYS 205 CO 0.04 0.16 -0.26 0.08 -0.92 0.00 0.00 175.35 174.45 1xf4 s VAL 206 N 0.35 2.15 -0.38 3.17 1.01 0.28 -4.98 120.40 122.00 1xf4 s VAL 206 Ca -0.15 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1xf4 s VAL 206 Cb -0.16 -1.88 0.16 0.00 0.00 0.00 0.00 36.38 34.49 1xf4 s VAL 206 CO 0.06 0.20 0.30 -1.81 0.00 0.00 0.00 175.10 173.86 1xf4 s ASP 207 N -1.66 1.99 -0.11 3.32 -0.00 -1.26 0.11 116.67 119.06 1xf4 s ASP 207 Ca 0.12 -2.53 -0.30 0.00 -0.00 0.00 0.00 52.55 49.85 1xf4 s ASP 207 Cb -0.10 -0.28 -0.01 0.00 -0.00 0.00 0.00 42.92 42.53 1xf4 s ASP 207 CO 0.04 -0.23 1.03 -0.54 -0.00 0.00 0.00 175.17 175.46 1xf4 s LYS 208 N 0.63 4.41 0.07 8.23 -0.14 -1.04 -4.90 119.74 127.01 1xf4 s LYS 208 Ca 0.25 1.41 -0.25 0.00 -1.36 0.00 0.00 55.97 56.03 1xf4 s LYS 208 Cb -0.09 -3.55 -0.06 0.00 -1.68 0.00 0.00 37.83 32.45 1xf4 s LYS 208 CO -0.09 -0.35 0.77 0.21 -0.76 0.00 0.00 175.35 175.13 1xf4 s LYS 209 N 2.10 4.51 -0.64 1.68 2.20 -1.26 -0.79 119.74 127.54 1xf4 s LYS 209 Ca 0.49 1.09 -0.23 0.00 -0.36 0.00 0.00 55.97 56.96 1xf4 s LYS 209 Cb -0.19 -3.34 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1xf4 s LYS 209 CO 0.18 0.35 0.96 0.42 -0.36 0.00 0.00 175.35 176.90 1xf4 s ILE 210 N -0.32 4.33 -0.09 5.43 -1.09 -0.39 -4.93 121.20 124.14 1xf4 s ILE 210 Ca 0.38 -0.24 -0.21 0.00 -2.23 0.00 0.00 60.65 58.35 1xf4 s ILE 210 Cb -0.21 -4.66 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 1xf4 s ILE 210 CO 0.24 -1.40 0.62 -0.69 -1.23 0.00 0.00 174.94 172.47 1xf4 s VAL 211 N 4.07 5.10 0.10 2.92 1.01 -1.26 -4.72 120.40 127.62 1xf4 s VAL 211 Ca 0.24 1.26 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 1xf4 s VAL 211 Cb -0.16 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1xf4 s VAL 211 CO 0.12 0.28 1.64 -2.16 0.00 0.00 0.00 175.10 174.98 1xf4 s PRO 212 N 0.76 4.20 0.00 2.72 0.04 -1.26 -4.75 135.00 136.71 1xf4 s PRO 212 Ca 0.33 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1xf4 s PRO 212 Cb -0.17 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1xf4 s PRO 212 CO 0.15 -0.71 0.37 0.54 0.04 0.00 0.00 177.00 177.39