#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf3 n LEU 2 N 0.00 1.02 -4.36 -4.62 0.00 -1.26 -4.94 117.00 102.84 1xf3 n LEU 2 Ca 0.00 0.95 -0.32 0.00 0.00 0.00 0.00 56.01 56.63 1xf3 n LEU 2 Cb 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 43.42 42.38 1xf3 n LEU 2 CO 0.00 -0.80 -0.49 -1.10 0.00 0.00 0.00 177.39 175.00 1xf3 s GLN 3 N 4.42 2.89 -0.24 1.96 -0.21 -1.26 -4.96 119.66 122.25 1xf3 s GLN 3 Ca 1.12 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 55.71 1xf3 s GLN 3 Cb -1.49 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 30.14 1xf3 s GLN 3 CO 0.74 0.37 -0.06 -1.64 -2.12 0.00 0.00 175.29 172.58 1xf3 s MET 4 N -0.08 2.92 -0.35 2.91 -1.94 -1.26 -1.66 119.30 119.84 1xf3 s MET 4 Ca -0.04 -0.92 -0.10 0.00 -1.71 0.00 0.00 55.69 52.92 1xf3 s MET 4 Cb -0.14 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.73 1xf3 s MET 4 CO 0.04 -0.37 0.18 0.99 -0.01 0.00 0.00 175.02 175.86 1xf3 s THR 5 N 1.35 4.53 -0.20 2.05 2.01 0.27 -4.22 115.64 121.43 1xf3 s THR 5 Ca 0.01 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 1xf3 s THR 5 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1xf3 s THR 5 CO -0.04 -0.14 0.02 -1.58 -0.69 0.00 0.00 174.62 172.18 1xf3 s GLN 6 N 1.56 3.68 0.04 4.92 0.74 -1.26 -0.32 119.66 129.02 1xf3 s GLN 6 Ca 0.03 -0.49 0.01 0.00 0.05 0.00 0.00 55.36 54.95 1xf3 s GLN 6 Cb -0.19 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 1xf3 s GLN 6 CO 0.06 0.04 -0.05 -1.54 -0.55 0.00 0.00 175.29 173.26 1xf3 s SER 7 N 0.94 0.56 0.61 6.67 1.04 -0.90 -4.49 113.70 118.12 1xf3 s SER 7 Ca 0.02 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 1xf3 s SER 7 Cb -0.14 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1xf3 s SER 7 CO 0.02 -0.32 0.95 -2.16 0.98 0.00 0.00 173.24 172.70 1xf3 s PRO 8 N -2.04 2.98 0.26 4.02 0.04 -1.26 -1.98 135.00 137.01 1xf3 s PRO 8 Ca -0.08 0.16 0.11 0.00 0.04 0.00 0.00 61.00 61.23 1xf3 s PRO 8 Cb -0.06 -2.21 0.29 0.00 0.04 0.00 0.00 34.50 32.56 1xf3 s PRO 8 CO -0.02 -0.74 1.56 0.00 0.04 0.00 0.00 177.00 177.84 1xf3 h ALA 9 N -0.27 0.85 -3.43 8.56 0.00 -1.79 -3.41 119.26 119.77 1xf3 h ALA 9 Ca -0.45 -0.58 -0.44 0.00 0.00 0.00 0.00 54.91 53.44 1xf3 h ALA 9 Cb 1.25 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 1xf3 h ALA 9 CO 0.62 0.80 -0.78 0.45 0.00 0.00 0.00 179.25 180.33 1xf3 s SER 10 N -6.73 1.20 -0.06 0.00 0.15 -1.26 -1.50 113.70 105.49 1xf3 s SER 10 Ca -0.00 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1xf3 s SER 10 Cb 0.12 -0.54 0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1xf3 s SER 10 CO 0.76 -0.04 -0.01 -0.22 1.20 0.00 0.00 173.24 174.92 1xf3 s LEU 11 N 0.94 0.83 -0.13 3.45 2.96 -1.17 -5.00 118.68 120.56 1xf3 s LEU 11 Ca -0.10 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1xf3 s LEU 11 Cb -0.14 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 1xf3 s LEU 11 CO 0.00 -0.15 0.13 -0.44 -1.32 0.00 0.00 176.35 174.58 1xf3 s SER 12 N 1.63 6.32 -0.09 3.68 0.01 -1.26 -1.28 113.70 122.70 1xf3 s SER 12 Ca -0.00 0.41 -0.31 0.00 1.31 0.00 0.00 55.95 57.36 1xf3 s SER 12 Cb -0.13 -2.06 0.09 0.00 0.21 0.00 0.00 66.02 64.13 1xf3 s SER 12 CO -0.04 0.36 0.79 0.00 0.41 0.00 0.00 173.24 174.76 1xf3 s ALA 13 N -0.75 -1.83 0.36 1.44 0.00 -0.91 -4.87 121.76 115.21 1xf3 s ALA 13 Ca 0.14 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1xf3 s ALA 13 Cb -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1xf3 s ALA 13 CO 0.03 -0.35 0.56 -1.12 0.00 0.00 0.00 175.76 174.88 1xf3 s SER 14 N -1.17 6.21 0.20 0.00 0.01 -1.26 -2.43 113.70 115.26 1xf3 s SER 14 Ca -0.08 0.39 -0.33 0.00 1.31 0.00 0.00 55.95 57.25 1xf3 s SER 14 Cb -0.00 -1.91 -0.13 0.00 0.21 0.00 0.00 66.02 64.18 1xf3 s SER 14 CO 0.07 -0.36 1.58 0.52 0.41 0.00 0.00 173.24 175.45 1xf3 n VAL 15 N -1.82 0.28 0.00 3.43 0.31 -1.26 -2.46 118.33 116.80 1xf3 n VAL 15 Ca -0.04 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1xf3 n VAL 15 Cb 0.56 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1xf3 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xf3 n GLY 16 N 3.16 3.05 3.75 2.92 0.00 -0.98 -4.87 105.19 112.23 1xf3 n GLY 16 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1xf3 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf3 s GLU 17 N -0.23 2.55 -0.39 1.61 2.12 -1.03 -3.83 118.70 119.49 1xf3 s GLU 17 Ca 0.00 1.56 -0.05 0.00 0.36 0.00 0.00 54.97 56.85 1xf3 s GLU 17 Cb 0.00 -1.90 0.09 0.00 0.26 0.00 0.00 34.13 32.58 1xf3 s GLU 17 CO 0.00 -1.48 0.18 0.99 -0.54 0.00 0.00 175.26 174.42 1xf3 s THR 18 N -2.15 3.51 0.19 -1.70 2.01 -1.26 -2.71 115.64 113.53 1xf3 s THR 18 Ca 0.70 -1.75 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1xf3 s THR 18 Cb -0.24 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1xf3 s THR 18 CO 0.42 -0.54 0.31 0.68 -0.69 0.00 0.00 174.62 174.81 1xf3 s VAL 19 N 1.24 5.27 -0.06 3.82 -7.23 -1.15 -4.97 120.40 117.33 1xf3 s VAL 19 Ca 0.04 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1xf3 s VAL 19 Cb -0.22 -3.78 0.03 0.00 0.56 0.00 0.00 36.38 32.96 1xf3 s VAL 19 CO -0.02 -0.20 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.68 1xf3 s THR 20 N -1.85 0.34 -0.08 5.32 2.01 -1.26 -1.35 115.64 118.78 1xf3 s THR 20 Ca 0.34 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.44 1xf3 s THR 20 Cb -0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1xf3 s THR 20 CO 0.29 0.23 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 1xf3 s ILE 21 N 1.67 3.89 0.22 1.82 1.01 -0.38 -4.84 121.20 124.59 1xf3 s ILE 21 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1xf3 s ILE 21 Cb -0.13 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1xf3 s ILE 21 CO -0.04 0.60 -0.13 0.42 0.00 0.00 0.00 174.94 175.79 1xf3 s THR 22 N -0.77 2.90 -0.05 2.92 -4.23 -0.84 -0.94 115.64 114.64 1xf3 s THR 22 Ca 0.12 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1xf3 s THR 22 Cb -0.11 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.28 1xf3 s THR 22 CO 0.02 -0.23 0.02 0.00 -0.54 0.00 0.00 174.62 173.89 1xf3 s ARG 24 N 1.79 3.72 -0.04 0.00 6.06 0.57 -1.29 118.95 129.76 1xf3 s ARG 24 Ca 0.01 -0.46 -0.17 0.00 -2.50 0.00 0.00 55.73 52.62 1xf3 s ARG 24 Cb -0.12 -3.24 -0.05 0.00 0.06 0.00 0.00 34.95 31.60 1xf3 s ARG 24 CO -0.03 -0.02 0.45 0.00 -2.50 0.00 0.00 175.30 173.20 1xf3 s ALA 25 N 1.16 3.59 0.34 6.12 0.00 -0.27 -0.57 121.76 132.13 1xf3 s ALA 25 Ca 0.04 -0.18 0.38 0.00 0.00 0.00 0.00 51.96 52.21 1xf3 s ALA 25 Cb -0.14 -2.52 1.82 0.00 0.00 0.00 0.00 23.12 22.27 1xf3 s ALA 25 CO 0.03 0.28 2.15 0.66 0.00 0.00 0.00 175.76 178.87 1xf3 h SER 26 N 5.50 0.00 -5.32 0.00 4.64 -1.64 -3.44 113.55 113.30 1xf3 h SER 26 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1xf3 h SER 26 Cb 1.20 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 1xf3 h SER 26 CO 0.68 0.00 -0.44 -1.83 -0.87 0.00 0.00 176.83 174.36 1xf3 s GLU 27 N -3.87 1.05 -0.13 4.77 -1.05 -1.26 -5.00 118.70 113.21 1xf3 s GLU 27 Ca -0.01 -1.26 -0.33 0.00 -0.15 0.00 0.00 54.97 53.22 1xf3 s GLU 27 Cb 0.11 0.33 -0.10 0.00 -0.44 0.00 0.00 34.13 34.02 1xf3 s GLU 27 CO 0.49 -0.35 2.00 -1.71 0.95 0.00 0.00 175.26 176.63 1xf3 n ASN 28 N -0.16 3.36 -0.18 0.83 5.15 -1.26 -4.71 115.26 118.28 1xf3 n ASN 28 Ca -0.07 0.75 0.07 0.00 -0.60 0.00 0.00 54.58 54.73 1xf3 n ASN 28 Cb 0.63 -1.41 0.11 0.00 -0.53 0.00 0.00 39.78 38.58 1xf3 n ASN 28 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xf3 n ILE 29 N 5.95 1.62 0.00 -1.44 -5.35 -0.12 -5.02 119.36 115.00 1xf3 n ILE 29 Ca 0.26 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.97 1xf3 n ILE 29 Cb 0.33 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1xf3 n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1xf3 n TYR 30 N -0.94 0.00 -0.92 4.28 4.02 -1.24 -1.26 117.16 121.10 1xf3 n TYR 30 Ca 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.09 1xf3 n TYR 30 Cb 0.54 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.18 1xf3 n TYR 30 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1xf3 n SER 31 N 5.43 4.63 -3.60 7.72 7.64 -1.26 -0.25 113.62 133.93 1xf3 n SER 31 Ca 0.00 -2.93 -0.41 0.00 1.01 0.00 0.00 58.87 56.54 1xf3 n SER 31 Cb 0.00 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.60 1xf3 n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xf3 n TYR 32 N 0.03 2.80 -3.97 1.43 4.01 -0.39 -2.50 117.16 118.57 1xf3 n TYR 32 Ca 0.24 -2.89 -0.18 0.00 -0.16 0.00 0.00 57.90 54.91 1xf3 n TYR 32 Cb 1.00 -2.12 -0.16 0.00 -0.31 0.00 0.00 39.34 37.75 1xf3 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xf3 s LEU 33 N -0.38 1.17 0.18 7.72 1.98 -1.26 -1.83 118.68 126.26 1xf3 s LEU 33 Ca 0.52 -0.05 0.11 0.00 -2.89 0.00 0.00 54.13 51.82 1xf3 s LEU 33 Cb 0.15 -0.28 -0.04 0.00 0.66 0.00 0.00 46.19 46.68 1xf3 s LEU 33 CO -0.06 -0.09 -0.22 0.00 -1.89 0.00 0.00 176.35 174.09 1xf3 s ALA 34 N 1.04 2.58 -0.09 5.97 0.00 0.13 -0.90 121.76 130.49 1xf3 s ALA 34 Ca -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.34 1xf3 s ALA 34 Cb -0.14 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1xf3 s ALA 34 CO -0.01 0.47 -0.24 -1.58 0.00 0.00 0.00 175.76 174.39 1xf3 s TRP 35 N -1.54 2.54 0.22 0.00 0.52 -0.38 -1.17 118.94 119.12 1xf3 s TRP 35 Ca 0.20 -0.92 0.10 0.00 0.02 0.00 0.00 56.10 55.51 1xf3 s TRP 35 Cb -0.09 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1xf3 s TRP 35 CO 0.10 -0.34 -0.14 0.71 0.02 0.00 0.00 176.95 177.30 1xf3 s TYR 36 N 0.17 2.48 -0.10 -1.98 1.51 -0.32 -0.88 117.35 118.23 1xf3 s TYR 36 Ca -0.13 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1xf3 s TYR 36 Cb -0.16 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1xf3 s TYR 36 CO 0.07 0.57 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.75 1xf3 s GLN 37 N -3.07 2.61 -0.25 -0.62 0.74 -0.27 -2.13 119.66 116.67 1xf3 s GLN 37 Ca 0.26 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.98 1xf3 s GLN 37 Cb -0.07 -2.06 0.05 0.00 1.10 0.00 0.00 33.01 32.03 1xf3 s GLN 37 CO 0.14 0.07 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.69 1xf3 s GLN 38 N 0.62 2.31 0.59 1.67 0.74 0.15 -0.81 119.66 124.93 1xf3 s GLN 38 Ca -0.14 -1.27 -0.14 0.00 0.05 0.00 0.00 55.36 53.86 1xf3 s GLN 38 Cb -0.17 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1xf3 s GLN 38 CO 0.04 -0.53 1.03 0.15 -0.55 0.00 0.00 175.29 175.43 1xf3 s LYS 39 N 1.14 3.49 -0.14 1.67 -0.14 -1.26 -2.07 119.74 122.42 1xf3 s LYS 39 Ca -0.07 1.01 -0.34 0.00 -1.36 0.00 0.00 55.97 55.20 1xf3 s LYS 39 Cb -0.19 -2.06 -0.11 0.00 -1.68 0.00 0.00 37.83 33.78 1xf3 s LYS 39 CO -0.06 -0.66 1.94 0.00 -0.76 0.00 0.00 175.35 175.82 1xf3 n GLN 40 N -2.21 1.98 0.00 1.68 10.64 -1.26 -2.13 117.38 126.08 1xf3 n GLN 40 Ca 0.07 0.70 0.00 0.00 -1.83 0.00 0.00 57.00 55.94 1xf3 n GLN 40 Cb 0.54 -2.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.27 1xf3 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xf3 n GLY 41 N 4.78 3.03 4.00 2.61 0.00 -1.26 -5.06 105.19 113.29 1xf3 n GLY 41 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1xf3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf3 s LYS 42 N -0.11 2.21 0.48 1.61 -0.14 -0.90 -5.10 119.74 117.80 1xf3 s LYS 42 Ca 0.00 -1.14 -0.21 0.00 -1.36 0.00 0.00 55.97 53.26 1xf3 s LYS 42 Cb 0.00 -2.50 -0.07 0.00 -1.68 0.00 0.00 37.83 33.58 1xf3 s LYS 42 CO 0.00 -0.96 1.11 -1.12 -0.76 0.00 0.00 175.35 173.62 1xf3 s SER 43 N -4.58 6.15 0.96 2.83 0.01 -1.26 -4.70 113.70 113.12 1xf3 s SER 43 Ca 0.61 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.89 1xf3 s SER 43 Cb -0.08 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.70 1xf3 s SER 43 CO 0.40 -0.92 0.84 -2.65 0.41 0.00 0.00 173.24 171.32 1xf3 n PRO 44 N -0.79 -0.66 -4.05 12.44 -0.02 -1.26 -4.57 135.00 136.09 1xf3 n PRO 44 Ca 0.09 -0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.26 1xf3 n PRO 44 Cb 0.50 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 1xf3 n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xf3 s GLN 45 N -4.24 0.41 0.02 -0.52 -0.21 0.01 -4.95 119.66 110.18 1xf3 s GLN 45 Ca 0.63 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.65 1xf3 s GLN 45 Cb -0.22 -0.47 -0.07 0.00 1.00 0.00 0.00 33.01 33.25 1xf3 s GLN 45 CO 0.62 -0.02 1.54 -1.17 -2.12 0.00 0.00 175.29 174.14 1xf3 s LEU 46 N 0.48 4.33 -0.25 2.90 2.96 -1.26 -1.12 118.68 126.72 1xf3 s LEU 46 Ca -0.05 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 55.99 1xf3 s LEU 46 Cb -0.08 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.90 1xf3 s LEU 46 CO -0.01 -0.82 -0.17 0.18 -1.32 0.00 0.00 176.35 174.21 1xf3 n LEU 47 N 5.77 2.05 -3.86 -0.68 4.77 -0.05 -4.75 117.00 120.25 1xf3 n LEU 47 Ca 0.15 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1xf3 n LEU 47 Cb 0.42 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.48 1xf3 n LEU 47 CO 0.61 0.54 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.15 1xf3 s VAL 48 N -2.47 0.14 0.22 4.08 1.01 -1.03 -1.79 120.40 120.55 1xf3 s VAL 48 Ca -0.35 0.00 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xf3 s VAL 48 Cb 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.28 1xf3 s VAL 48 CO 0.54 0.08 -0.13 -0.72 0.00 0.00 0.00 175.10 174.87 1xf3 s TYR 49 N 0.41 1.75 -1.62 5.22 -0.85 -0.24 -1.25 117.35 120.76 1xf3 s TYR 49 Ca -0.04 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1xf3 s TYR 49 Cb -0.06 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.43 1xf3 s TYR 49 CO -0.01 0.34 0.00 0.09 -1.52 0.00 0.00 175.55 174.45 1xf3 n ASN 50 N -0.42 -5.40 0.00 -0.18 3.02 -1.18 -1.21 115.26 109.90 1xf3 n ASN 50 Ca -0.07 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1xf3 n ASN 50 Cb 0.61 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 1xf3 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf3 n ALA 51 N -1.69 0.00 -0.75 5.41 0.00 -0.07 -4.36 120.51 119.05 1xf3 n ALA 51 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xf3 n ALA 51 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1xf3 n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xf3 n LYS 52 N 0.00 0.02 -3.65 0.00 2.85 -1.23 -3.19 118.16 112.96 1xf3 n LYS 52 Ca 0.00 -0.29 -0.37 0.00 -1.05 0.00 0.00 58.31 56.59 1xf3 n LYS 52 Cb 0.00 -0.62 -0.11 0.00 -0.65 0.00 0.00 35.03 33.64 1xf3 n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xf3 s THR 53 N -0.07 5.01 0.02 0.58 2.01 -0.35 -4.59 115.64 118.26 1xf3 s THR 53 Ca 0.00 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1xf3 s THR 53 Cb 0.00 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1xf3 s THR 53 CO 0.00 0.28 1.15 -0.76 -0.69 0.00 0.00 174.62 174.61 1xf3 s LEU 54 N 1.67 4.35 0.63 4.42 1.43 -1.26 -1.08 118.68 128.83 1xf3 s LEU 54 Ca 0.07 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 1xf3 s LEU 54 Cb -0.16 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1xf3 s LEU 54 CO 0.08 -0.45 1.16 0.00 0.23 0.00 0.00 176.35 177.37 1xf3 s ALA 55 N 1.30 2.47 0.29 4.21 0.00 -0.74 -4.94 121.76 124.35 1xf3 s ALA 55 Ca 0.57 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 1xf3 s ALA 55 Cb -0.27 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1xf3 s ALA 55 CO 0.27 -1.25 1.50 -1.21 0.00 0.00 0.00 175.76 175.06 1xf3 s GLU 56 N -3.69 4.20 0.00 0.00 2.02 -1.26 -2.28 118.70 117.69 1xf3 s GLU 56 Ca 0.72 2.43 0.00 0.00 0.02 0.00 0.00 54.97 58.15 1xf3 s GLU 56 Cb -0.25 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1xf3 s GLU 56 CO 0.37 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1xf3 n GLY 57 N 1.89 0.76 3.66 -1.39 0.00 -1.26 -5.06 105.19 103.79 1xf3 n GLY 57 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1xf3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf3 s VAL 58 N -2.73 5.31 0.70 1.61 1.01 -0.97 -5.07 120.40 120.27 1xf3 s VAL 58 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1xf3 s VAL 58 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1xf3 s VAL 58 CO 0.00 0.31 0.78 -2.65 0.00 0.00 0.00 175.10 173.55 1xf3 n PRO 59 N 4.39 0.46 0.12 2.72 -0.02 -1.26 -4.91 135.00 136.50 1xf3 n PRO 59 Ca -0.13 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1xf3 n PRO 59 Cb 0.52 -2.05 0.27 0.00 -0.02 0.00 0.00 33.50 32.22 1xf3 n PRO 59 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xf3 h SER 60 N -0.20 0.00 -0.30 2.55 0.02 -2.00 -3.15 113.55 110.46 1xf3 h SER 60 Ca -0.47 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.47 1xf3 h SER 60 Cb 1.35 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 1xf3 h SER 60 CO 0.46 0.03 0.20 0.08 -1.14 0.00 0.00 176.83 176.46 1xf3 h ARG 61 N 0.00 0.20 -6.98 3.45 0.11 -1.91 -3.41 114.38 105.84 1xf3 h ARG 61 Ca 0.00 -0.01 -0.51 0.00 0.10 0.00 0.00 59.98 59.56 1xf3 h ARG 61 Cb 0.81 -0.05 0.06 0.00 1.11 0.00 0.00 29.97 31.91 1xf3 h ARG 61 CO 0.00 0.14 0.49 -0.06 0.10 0.00 0.00 179.97 180.64 1xf3 s PHE 62 N -5.22 2.93 -0.30 4.08 0.08 -1.19 -2.15 117.98 116.21 1xf3 s PHE 62 Ca -0.06 1.54 -0.07 0.00 0.12 0.00 0.00 56.93 58.46 1xf3 s PHE 62 Cb 0.18 -3.39 0.18 0.00 -0.57 0.00 0.00 43.02 39.42 1xf3 s PHE 62 CO 0.71 -1.46 0.78 0.45 -0.10 0.00 0.00 175.22 175.60 1xf3 s SER 63 N -1.28 -1.00 -0.14 1.36 0.15 -0.43 -5.01 113.70 107.35 1xf3 s SER 63 Ca 0.61 0.72 -0.07 0.00 0.70 0.00 0.00 55.95 57.91 1xf3 s SER 63 Cb -0.29 1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 65.85 1xf3 s SER 63 CO 0.36 -0.19 0.12 -0.83 1.20 0.00 0.00 173.24 173.90 1xf3 s GLY 64 N 2.87 2.08 0.25 9.45 0.00 -1.26 -1.12 107.32 119.58 1xf3 s GLY 64 Ca 0.10 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1xf3 s GLY 64 CO -0.17 -0.25 0.13 -1.35 0.00 0.00 0.00 173.10 171.46 1xf3 s SER 65 N -0.58 0.93 0.00 1.64 1.04 -0.60 -4.18 113.70 111.94 1xf3 s SER 65 Ca 0.12 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.10 1xf3 s SER 65 Cb -0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1xf3 s SER 65 CO 0.02 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1xf3 n GLY 66 N -0.43 1.82 3.65 7.32 0.00 -1.26 -1.92 105.19 114.37 1xf3 n GLY 66 Ca 0.01 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 1xf3 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf3 s SER 67 N 0.00 -0.30 0.00 1.61 1.04 -0.79 -4.84 113.70 110.42 1xf3 s SER 67 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1xf3 s SER 67 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1xf3 s SER 67 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1xf3 n GLY 68 N -0.39 1.25 0.00 7.32 0.00 0.65 -2.68 105.19 111.34 1xf3 n GLY 68 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1xf3 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xf3 n THR 69 N 0.00 0.00 -4.43 2.61 5.66 -1.26 -0.94 114.28 115.92 1xf3 n THR 69 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1xf3 n THR 69 Cb 0.00 0.02 -0.16 0.00 -1.55 0.00 0.00 70.33 68.64 1xf3 n THR 69 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1xf3 s GLN 70 N -1.69 2.70 0.04 1.09 2.00 -1.09 -1.11 119.66 121.59 1xf3 s GLN 70 Ca 0.00 -0.73 0.02 0.00 -2.00 0.00 0.00 55.36 52.66 1xf3 s GLN 70 Cb 0.00 -2.27 -0.02 0.00 0.80 0.00 0.00 33.01 31.52 1xf3 s GLN 70 CO 0.00 -0.09 -0.08 -0.06 -0.50 0.00 0.00 175.29 174.55 1xf3 s PHE 71 N 1.04 0.71 0.02 1.67 0.40 -0.41 -1.89 117.98 119.52 1xf3 s PHE 71 Ca -0.03 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1xf3 s PHE 71 Cb -0.15 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 1xf3 s PHE 71 CO -0.05 -0.06 -0.03 -1.54 0.70 0.00 0.00 175.22 174.24 1xf3 s SER 72 N -1.43 0.27 -0.15 1.36 1.04 -0.81 -0.98 113.70 113.00 1xf3 s SER 72 Ca -0.08 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 1xf3 s SER 72 Cb -0.09 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1xf3 s SER 72 CO 0.01 -0.18 -0.05 -0.22 0.98 0.00 0.00 173.24 173.78 1xf3 s LEU 73 N -0.97 3.18 0.03 2.42 2.96 -0.11 -1.56 118.68 124.63 1xf3 s LEU 73 Ca -0.10 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1xf3 s LEU 73 Cb -0.07 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1xf3 s LEU 73 CO -0.00 0.17 -0.16 -1.59 -1.32 0.00 0.00 176.35 173.44 1xf3 s LYS 74 N 0.37 2.16 -0.29 1.98 -2.85 -0.28 -1.26 119.74 119.58 1xf3 s LYS 74 Ca -0.05 -0.93 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 1xf3 s LYS 74 Cb -0.14 -2.24 0.08 0.00 -2.06 0.00 0.00 37.83 33.47 1xf3 s LYS 74 CO 0.03 0.55 0.02 0.42 0.10 0.00 0.00 175.35 176.47 1xf3 s ILE 75 N -0.93 1.70 0.43 3.79 1.01 -0.45 -1.32 121.20 125.43 1xf3 s ILE 75 Ca 0.15 -1.72 -0.23 0.00 0.00 0.00 0.00 60.65 58.85 1xf3 s ILE 75 Cb -0.11 -2.14 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 1xf3 s ILE 75 CO 0.06 -0.42 1.10 0.20 0.00 0.00 0.00 174.94 175.87 1xf3 s ASN 76 N 1.24 6.47 -0.33 3.58 0.01 -0.91 -2.92 114.94 122.07 1xf3 s ASN 76 Ca 0.04 2.13 -0.29 0.00 -0.71 0.00 0.00 52.86 54.03 1xf3 s ASN 76 Cb -0.19 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 38.93 1xf3 s ASN 76 CO -0.11 -0.70 0.49 -1.20 -1.51 0.00 0.00 177.10 174.07 1xf3 n SER 77 N -0.35 -5.42 -4.68 -1.22 7.64 -1.25 -4.81 113.62 103.53 1xf3 n SER 77 Ca 0.06 -0.04 -0.35 0.00 1.01 0.00 0.00 58.87 59.55 1xf3 n SER 77 Cb 0.49 -1.50 0.10 0.00 -1.01 0.00 0.00 64.21 62.29 1xf3 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xf3 n LEU 78 N 0.15 4.72 -4.39 -3.43 4.77 -1.10 -4.68 117.00 113.04 1xf3 n LEU 78 Ca -0.07 0.69 -0.20 0.00 -0.03 0.00 0.00 56.01 56.40 1xf3 n LEU 78 Cb 0.61 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 1xf3 n LEU 78 CO 0.41 -1.56 -0.42 -1.10 -1.33 0.00 0.00 177.39 173.40 1xf3 s GLN 79 N -3.66 1.45 0.37 3.23 -1.52 -1.26 -2.32 119.66 115.95 1xf3 s GLN 79 Ca 0.77 -1.68 0.13 0.00 -1.95 0.00 0.00 55.36 52.62 1xf3 s GLN 79 Cb -0.34 -1.22 0.94 0.00 -0.22 0.00 0.00 33.01 32.18 1xf3 s GLN 79 CO 0.47 0.15 1.81 -1.35 -0.25 0.00 0.00 175.29 176.12 1xf3 h PRO 80 N 2.42 0.54 0.00 2.91 0.11 -2.00 -1.58 132.00 134.40 1xf3 h PRO 80 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xf3 h PRO 80 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xf3 h PRO 80 CO 0.64 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.83 1xf3 h GLU 81 N 0.56 0.00 0.00 1.05 9.09 -2.03 -3.25 114.58 120.00 1xf3 h GLU 81 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 1xf3 h GLU 81 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1xf3 h GLU 81 CO -0.28 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.53 1xf3 n ASP 82 N -2.91 0.15 -4.70 3.06 8.00 -0.59 -4.78 116.55 114.78 1xf3 n ASP 82 Ca 0.02 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.63 1xf3 n ASP 82 Cb 0.36 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1xf3 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xf3 s PHE 83 N -3.05 3.59 -0.38 1.24 0.08 -1.23 -4.90 117.98 113.33 1xf3 s PHE 83 Ca 0.09 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.77 1xf3 s PHE 83 Cb 0.13 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 1xf3 s PHE 83 CO 0.39 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1xf3 n GLY 84 N 3.01 -0.88 3.34 4.36 0.00 -1.13 -4.86 105.19 109.04 1xf3 n GLY 84 Ca 0.07 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1xf3 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf3 s SER 85 N -4.00 3.16 -0.03 1.61 0.01 -0.88 0.17 113.70 113.74 1xf3 s SER 85 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1xf3 s SER 85 Cb 0.00 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1xf3 s SER 85 CO 0.00 0.25 0.01 -0.31 0.41 0.00 0.00 173.24 173.60 1xf3 s TYR 86 N -0.82 0.26 -0.02 2.43 1.51 -0.75 0.30 117.35 120.27 1xf3 s TYR 86 Ca 0.12 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 1xf3 s TYR 86 Cb -0.10 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1xf3 s TYR 86 CO 0.02 -0.13 -0.12 0.71 -1.11 0.00 0.00 175.55 174.92 1xf3 s TYR 87 N 1.08 1.16 0.32 2.71 1.51 -0.91 -2.16 117.35 121.07 1xf3 s TYR 87 Ca -0.09 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1xf3 s TYR 87 Cb -0.13 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1xf3 s TYR 87 CO -0.02 -0.06 0.55 0.00 -1.11 0.00 0.00 175.55 174.91 1xf3 s GLN 89 N -4.04 0.50 0.16 0.00 0.74 -0.32 -1.30 119.66 115.40 1xf3 s GLN 89 Ca 0.41 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.47 1xf3 s GLN 89 Cb -0.10 0.05 -0.08 0.00 1.10 0.00 0.00 33.01 33.98 1xf3 s GLN 89 CO 0.34 -0.16 1.21 -1.58 -0.55 0.00 0.00 175.29 174.56 1xf3 s HIS 90 N 1.53 3.41 -0.06 1.67 5.65 -0.63 -0.69 115.29 126.17 1xf3 s HIS 90 Ca -0.09 1.36 0.13 0.00 0.25 0.00 0.00 55.06 56.71 1xf3 s HIS 90 Cb -0.07 -3.45 0.25 0.00 -1.18 0.00 0.00 32.58 28.12 1xf3 s HIS 90 CO -0.15 -1.32 1.11 -2.39 -0.65 0.00 0.00 174.74 171.34 1xf3 n HIS 91 N 2.86 0.00 0.00 3.88 1.44 -0.76 -3.71 115.22 118.92 1xf3 n HIS 91 Ca 0.06 -0.57 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1xf3 n HIS 91 Cb 0.45 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1xf3 n HIS 91 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1xf3 n TYR 92 N -0.30 0.00 -2.94 -1.40 4.02 -1.26 -5.00 117.16 110.28 1xf3 n TYR 92 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1xf3 n TYR 92 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 1xf3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xf3 n GLY 93 N 1.25 6.85 3.82 2.72 0.00 -1.26 -5.10 105.19 113.47 1xf3 n GLY 93 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1xf3 n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xf3 s THR 94 N 0.40 4.36 0.38 2.61 -4.23 -1.26 -3.91 115.64 114.00 1xf3 s THR 94 Ca 0.00 1.48 -0.20 0.00 -1.18 0.00 0.00 61.69 61.79 1xf3 s THR 94 Cb 0.00 -3.60 -0.10 0.00 1.34 0.00 0.00 72.50 70.13 1xf3 s THR 94 CO 0.00 -0.31 0.89 -2.16 -0.54 0.00 0.00 174.62 172.50 1xf3 s PRO 95 N -3.16 4.22 -1.36 3.99 0.04 -1.26 -5.05 135.00 132.42 1xf3 s PRO 95 Ca 0.62 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1xf3 s PRO 95 Cb -0.10 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.20 1xf3 s PRO 95 CO 0.14 0.07 2.10 1.28 0.04 0.00 0.00 177.00 180.63 1xf3 n LEU 96 N -0.37 6.99 -4.74 -3.56 4.77 -1.25 -4.88 117.00 113.95 1xf3 n LEU 96 Ca 0.05 -4.49 -0.41 0.00 -0.03 0.00 0.00 56.01 51.13 1xf3 n LEU 96 Cb 0.53 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.06 1xf3 n LEU 96 CO 0.39 1.40 0.85 -0.89 -1.33 0.00 0.00 177.39 177.82 1xf3 s THR 97 N 1.23 3.57 0.20 -5.08 2.01 -1.24 -4.64 115.64 111.69 1xf3 s THR 97 Ca 0.45 1.39 -0.13 0.00 0.31 0.00 0.00 61.69 63.70 1xf3 s THR 97 Cb 0.12 -3.88 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1xf3 s THR 97 CO -0.04 0.25 0.58 -0.36 -0.69 0.00 0.00 174.62 174.37 1xf3 s PHE 98 N -0.35 3.53 0.86 4.92 0.08 -1.26 -1.61 117.98 124.15 1xf3 s PHE 98 Ca 0.50 1.04 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 1xf3 s PHE 98 Cb -0.32 -2.37 0.11 0.00 -0.57 0.00 0.00 43.02 39.86 1xf3 s PHE 98 CO 0.38 0.34 1.10 0.20 -0.10 0.00 0.00 175.22 177.14 1xf3 s GLY 99 N -1.97 1.61 0.53 4.36 0.00 -0.42 -4.68 107.32 106.74 1xf3 s GLY 99 Ca 0.43 -0.26 0.32 0.00 0.00 0.00 0.00 44.72 45.20 1xf3 s GLY 99 CO 0.20 0.22 1.99 0.00 0.00 0.00 0.00 173.10 175.51 1xf3 h ALA 100 N -1.35 1.04 0.00 3.20 0.00 -1.85 -3.43 119.26 116.87 1xf3 h ALA 100 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1xf3 h ALA 100 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xf3 h ALA 100 CO 0.59 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1xf3 n GLY 101 N -0.11 2.04 2.94 0.00 0.00 -1.26 -5.07 105.19 103.72 1xf3 n GLY 101 Ca -0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1xf3 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf3 s THR 102 N -1.73 1.22 -0.63 2.61 2.01 -0.92 -4.51 115.64 113.69 1xf3 s THR 102 Ca 0.00 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 1xf3 s THR 102 Cb 0.00 -1.22 0.11 0.00 0.01 0.00 0.00 72.50 71.40 1xf3 s THR 102 CO 0.00 0.37 0.75 -0.75 -0.69 0.00 0.00 174.62 174.30 1xf3 s LYS 103 N 1.63 3.11 -0.41 4.92 2.20 -0.56 -1.81 119.74 128.82 1xf3 s LYS 103 Ca 0.04 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.00 1xf3 s LYS 103 Cb -0.13 -4.31 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1xf3 s LYS 103 CO -0.09 -1.57 1.41 -1.17 -0.36 0.00 0.00 175.35 173.57 1xf3 s LEU 104 N 2.67 3.60 0.08 5.43 0.20 0.46 -3.06 118.68 128.06 1xf3 s LEU 104 Ca 0.14 0.85 0.09 0.00 0.69 0.00 0.00 54.13 55.90 1xf3 s LEU 104 Cb -0.22 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.97 1xf3 s LEU 104 CO 0.05 -1.42 -0.24 -0.70 -0.29 0.00 0.00 176.35 173.75 1xf3 s GLU 105 N 4.91 1.46 -0.30 1.98 -6.30 -0.41 -2.83 118.70 117.22 1xf3 s GLU 105 Ca 0.61 -1.15 -0.29 0.00 -2.50 0.00 0.00 54.97 51.64 1xf3 s GLU 105 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 34.13 32.27 1xf3 s GLU 105 CO 0.32 0.43 1.08 -1.17 0.02 0.00 0.00 175.26 175.94 1xf3 s LEU 106 N -1.58 3.97 0.83 2.70 0.20 -1.26 -2.15 118.68 121.39 1xf3 s LEU 106 Ca 0.10 1.14 -0.12 0.00 0.69 0.00 0.00 54.13 55.94 1xf3 s LEU 106 Cb -0.10 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.21 1xf3 s LEU 106 CO 0.04 -0.84 1.16 -1.59 -0.29 0.00 0.00 176.35 174.82 1xf3 s LYS 107 N 3.58 1.60 0.00 1.98 0.00 -1.02 -4.85 119.74 121.03 1xf3 s LYS 107 Ca 0.46 1.56 0.00 0.00 0.00 0.00 0.00 55.97 57.99 1xf3 s LYS 107 Cb -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 37.83 35.91 1xf3 s LYS 107 CO 0.14 -2.20 0.00 2.89 0.00 0.00 0.00 175.35 176.18 1xf3 n ARG 108 N -3.59 0.00 -3.05 1.78 1.85 -1.26 -4.90 116.66 107.48 1xf3 n ARG 108 Ca 0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.63 1xf3 n ARG 108 Cb 0.52 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.86 1xf3 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xf3 s ALA 109 N -1.10 3.29 0.33 2.89 0.00 -1.26 -5.03 121.76 120.87 1xf3 s ALA 109 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1xf3 s ALA 109 Cb 0.00 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 20.14 1xf3 s ALA 109 CO 0.00 0.29 1.54 -0.51 0.00 0.00 0.00 175.76 177.08 1xf3 s ASP 110 N -2.07 6.37 -0.02 0.00 1.01 -1.26 -4.76 116.67 115.94 1xf3 s ASP 110 Ca 0.53 2.98 0.01 0.00 0.71 0.00 0.00 52.55 56.77 1xf3 s ASP 110 Cb -0.12 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.18 1xf3 s ASP 110 CO 0.18 -0.89 -0.01 0.00 0.21 0.00 0.00 175.17 174.66 1xf3 s ALA 111 N -0.47 0.28 0.65 5.23 0.00 -0.39 -4.90 121.76 122.16 1xf3 s ALA 111 Ca 0.59 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 1xf3 s ALA 111 Cb -0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1xf3 s ALA 111 CO 0.54 -0.02 1.11 0.00 0.00 0.00 0.00 175.76 177.38 1xf3 s ALA 112 N 0.62 2.49 0.34 0.00 0.00 -1.26 -1.49 121.76 122.47 1xf3 s ALA 112 Ca -0.06 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1xf3 s ALA 112 Cb -0.09 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1xf3 s ALA 112 CO -0.01 -1.24 1.04 -1.25 0.00 0.00 0.00 175.76 174.30 1xf3 s PRO 113 N -4.09 4.41 -0.42 0.00 0.04 -1.26 -4.37 135.00 129.30 1xf3 s PRO 113 Ca 0.67 1.58 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 1xf3 s PRO 113 Cb -0.20 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1xf3 s PRO 113 CO 0.41 0.07 0.61 0.99 0.04 0.00 0.00 177.00 179.11 1xf3 s THR 114 N -1.46 4.88 -0.21 1.26 2.01 -0.79 -4.87 115.64 116.46 1xf3 s THR 114 Ca 0.51 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 1xf3 s THR 114 Cb -0.25 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1xf3 s THR 114 CO 0.32 -0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 173.09 1xf3 s VAL 115 N 2.69 4.50 -0.03 3.82 1.01 -1.26 -1.49 120.40 129.65 1xf3 s VAL 115 Ca 0.21 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1xf3 s VAL 115 Cb -0.15 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1xf3 s VAL 115 CO 0.18 0.40 -0.22 -0.44 0.00 0.00 0.00 175.10 175.02 1xf3 s SER 116 N 0.98 2.59 0.09 3.32 0.01 -0.34 -4.97 113.70 115.38 1xf3 s SER 116 Ca 0.04 -0.41 0.08 0.00 1.31 0.00 0.00 55.95 56.97 1xf3 s SER 116 Cb -0.14 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 1xf3 s SER 116 CO 0.03 0.24 -0.19 -0.51 0.41 0.00 0.00 173.24 173.22 1xf3 s ILE 117 N -0.34 2.79 -0.08 1.44 2.07 -1.26 -0.94 121.20 124.88 1xf3 s ILE 117 Ca 0.04 -1.39 -0.03 0.00 -1.41 0.00 0.00 60.65 57.86 1xf3 s ILE 117 Cb -0.10 -2.23 0.04 0.00 0.13 0.00 0.00 42.46 40.30 1xf3 s ILE 117 CO 0.01 0.20 0.10 -0.36 -1.91 0.00 0.00 174.94 172.98 1xf3 s PHE 118 N -1.05 -0.01 0.89 3.50 0.40 0.29 -4.99 117.98 117.02 1xf3 s PHE 118 Ca 0.16 0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.67 1xf3 s PHE 118 Cb -0.10 -0.44 0.13 0.00 0.51 0.00 0.00 43.02 43.11 1xf3 s PHE 118 CO 0.08 -0.28 1.10 -2.14 0.70 0.00 0.00 175.22 174.68 1xf3 s PRO 119 N 2.21 1.26 0.26 0.24 0.02 -1.26 -1.64 135.00 136.09 1xf3 s PRO 119 Ca 0.04 1.09 -0.31 0.00 0.02 0.00 0.00 61.00 61.84 1xf3 s PRO 119 Cb -0.13 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 1xf3 s PRO 119 CO -0.05 -2.31 1.58 -2.30 -0.33 0.00 0.00 177.00 173.59 1xf3 n PRO 120 N -3.97 2.54 -1.72 5.54 -0.02 -1.08 -4.81 135.00 131.48 1xf3 n PRO 120 Ca 0.08 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 62.13 1xf3 n PRO 120 Cb 0.54 -2.68 0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1xf3 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xf3 s SER 121 N 0.61 4.86 0.40 2.55 1.04 -1.26 -4.90 113.70 117.00 1xf3 s SER 121 Ca 0.68 2.18 0.09 0.00 0.48 0.00 0.00 55.95 59.39 1xf3 s SER 121 Cb -0.54 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 63.84 1xf3 s SER 121 CO 0.45 -1.81 1.96 0.77 0.98 0.00 0.00 173.24 175.59 1xf3 h SER 122 N 0.12 0.25 -0.58 7.02 4.64 -1.99 -2.36 113.55 120.65 1xf3 h SER 122 Ca -0.48 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1xf3 h SER 122 Cb 1.27 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1xf3 h SER 122 CO 0.53 0.35 0.38 -0.33 -0.87 0.00 0.00 176.83 176.88 1xf3 h GLU 123 N 0.27 0.75 -0.48 4.77 3.07 -1.99 -2.39 114.58 118.58 1xf3 h GLU 123 Ca 0.06 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1xf3 h GLU 123 Cb 0.27 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1xf3 h GLU 123 CO 0.01 0.49 -0.06 0.37 -1.40 0.00 0.00 179.01 178.43 1xf3 h GLN 124 N 0.77 0.88 -0.99 2.33 4.15 -1.75 -3.00 115.11 117.50 1xf3 h GLN 124 Ca 0.21 -0.31 0.14 0.00 0.77 0.00 0.00 58.65 59.46 1xf3 h GLN 124 Cb -0.08 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.46 1xf3 h GLN 124 CO -0.05 0.95 0.62 -0.07 -1.93 0.00 0.00 178.83 178.35 1xf3 h LEU 125 N 0.73 0.86 -1.32 -2.39 4.07 -1.17 -1.24 115.31 114.84 1xf3 h LEU 125 Ca 0.13 0.06 -0.05 0.00 0.08 0.00 0.00 57.88 58.10 1xf3 h LEU 125 Cb 0.59 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1xf3 h LEU 125 CO 0.04 0.43 -0.22 0.71 -1.08 0.00 0.00 178.44 178.31 1xf3 h THR 126 N 0.91 0.62 0.00 0.22 1.35 -1.29 -1.90 112.91 112.82 1xf3 h THR 126 Ca 0.51 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1xf3 h THR 126 Cb 0.60 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1xf3 h THR 126 CO -0.28 0.22 0.00 0.77 -0.25 0.00 0.00 175.52 175.98 1xf3 h SER 127 N 0.00 0.00 0.00 5.36 4.64 -1.22 -3.47 113.55 118.86 1xf3 h SER 127 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xf3 h SER 127 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1xf3 h SER 127 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1xf3 n GLY 128 N 0.40 0.98 3.61 -0.77 0.00 -0.71 -5.09 105.19 103.60 1xf3 n GLY 128 Ca 0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1xf3 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf3 s GLY 129 N -2.00 2.27 -0.19 -0.02 0.00 -1.11 -3.17 107.32 103.10 1xf3 s GLY 129 Ca 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 44.72 42.54 1xf3 s GLY 129 CO 0.00 -2.01 0.36 0.00 0.00 0.00 0.00 173.10 171.45 1xf3 s ALA 130 N -2.61 -0.93 -0.05 3.20 0.00 -0.96 -3.20 121.76 117.21 1xf3 s ALA 130 Ca 0.35 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.52 1xf3 s ALA 130 Cb 0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1xf3 s ALA 130 CO 0.18 -0.85 -0.21 -1.12 0.00 0.00 0.00 175.76 173.76 1xf3 s SER 131 N 2.53 2.62 -0.16 0.00 0.01 -1.26 -0.90 113.70 116.54 1xf3 s SER 131 Ca 0.03 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1xf3 s SER 131 Cb -0.13 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.36 1xf3 s SER 131 CO -0.12 0.20 -0.09 -0.69 0.41 0.00 0.00 173.24 172.95 1xf3 s VAL 132 N -0.07 3.28 -0.06 3.43 1.01 -0.09 -2.62 120.40 125.30 1xf3 s VAL 132 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1xf3 s VAL 132 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1xf3 s VAL 132 CO 0.03 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 1xf3 s VAL 133 N 0.67 2.95 -0.13 2.92 1.01 -0.65 -0.91 120.40 126.26 1xf3 s VAL 133 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1xf3 s VAL 133 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1xf3 s VAL 133 CO 0.02 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.58 1xf3 s PHE 135 N 1.43 3.64 -0.30 0.00 0.08 -0.12 -1.13 117.98 121.59 1xf3 s PHE 135 Ca 0.03 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.82 1xf3 s PHE 135 Cb -0.13 -2.14 0.10 0.00 -0.57 0.00 0.00 43.02 40.27 1xf3 s PHE 135 CO -0.08 0.64 0.08 -0.51 -0.10 0.00 0.00 175.22 175.24 1xf3 s LEU 136 N -0.88 2.63 0.14 -0.37 1.02 -0.26 -1.20 118.68 119.77 1xf3 s LEU 136 Ca 0.19 -1.65 0.09 0.00 0.02 0.00 0.00 54.13 52.78 1xf3 s LEU 136 Cb -0.14 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.03 1xf3 s LEU 136 CO 0.08 -0.39 -0.13 0.20 0.02 0.00 0.00 176.35 176.13 1xf3 s ASN 137 N 1.49 4.14 -1.28 2.29 0.01 -0.56 -1.05 114.94 119.98 1xf3 s ASN 137 Ca 0.08 -0.54 -0.11 0.00 -0.71 0.00 0.00 52.86 51.58 1xf3 s ASN 137 Cb -0.18 -0.67 -0.00 0.00 0.41 0.00 0.00 41.25 40.81 1xf3 s ASN 137 CO -0.20 0.14 0.60 0.59 -1.51 0.00 0.00 177.10 176.72 1xf3 n ASN 138 N 0.44 -2.69 -4.76 -1.22 4.13 -0.89 -1.88 115.26 108.39 1xf3 n ASN 138 Ca -0.13 -1.03 -0.23 0.00 1.68 0.00 0.00 54.58 54.87 1xf3 n ASN 138 Cb 0.54 -3.12 -0.06 0.00 -1.54 0.00 0.00 39.78 35.61 1xf3 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xf3 s PHE 139 N -3.72 2.99 -0.20 3.10 -0.71 -0.20 -4.65 117.98 114.59 1xf3 s PHE 139 Ca 0.24 -0.13 -0.17 0.00 -1.04 0.00 0.00 56.93 55.83 1xf3 s PHE 139 Cb -0.09 -1.36 0.05 0.00 -1.21 0.00 0.00 43.02 40.41 1xf3 s PHE 139 CO 0.88 0.55 0.52 -0.47 -1.34 0.00 0.00 175.22 175.35 1xf3 s TYR 140 N -2.09 -0.60 0.97 3.49 5.04 -0.55 -0.99 117.35 122.62 1xf3 s TYR 140 Ca 0.32 1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 56.20 1xf3 s TYR 140 Cb -0.08 0.22 0.23 0.00 0.35 0.00 0.00 41.96 42.68 1xf3 s TYR 140 CO 0.23 -0.29 1.14 -0.35 -1.34 0.00 0.00 175.55 174.94 1xf3 n PRO 141 N 3.00 -1.77 0.27 4.97 -0.04 -1.26 -1.27 135.00 138.90 1xf3 n PRO 141 Ca -0.15 -1.78 0.17 0.00 -0.04 0.00 0.00 63.50 61.71 1xf3 n PRO 141 Cb 0.56 -1.33 0.74 0.00 -0.04 0.00 0.00 33.50 33.44 1xf3 n PRO 141 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1xf3 h LYS 142 N 0.00 0.00 -6.49 0.54 -0.00 -1.98 -3.44 116.57 105.19 1xf3 h LYS 142 Ca -0.39 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 59.73 1xf3 h LYS 142 Cb 1.10 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.34 1xf3 h LYS 142 CO 0.27 0.00 0.73 0.34 -0.00 0.00 0.00 179.45 180.78 1xf3 s ASP 143 N -5.41 6.87 0.09 7.07 -1.08 -1.26 -5.01 116.67 117.94 1xf3 s ASP 143 Ca 0.01 2.22 -0.23 0.00 -0.52 0.00 0.00 52.55 54.03 1xf3 s ASP 143 Cb 0.09 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1xf3 s ASP 143 CO 0.50 -0.64 0.56 -0.51 0.52 0.00 0.00 175.17 175.60 1xf3 s ILE 144 N 1.42 0.02 -0.02 4.11 2.07 -1.26 -4.68 121.20 122.86 1xf3 s ILE 144 Ca 0.63 -0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.76 1xf3 s ILE 144 Cb -0.34 -1.02 -0.00 0.00 0.13 0.00 0.00 42.46 41.23 1xf3 s ILE 144 CO 0.29 -0.08 -0.13 0.21 -1.91 0.00 0.00 174.94 173.32 1xf3 s ASN 145 N -2.32 1.59 -0.07 4.50 2.47 -0.87 -5.03 114.94 115.21 1xf3 s ASN 145 Ca -0.02 -0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.05 1xf3 s ASN 145 Cb -0.00 -0.31 -0.00 0.00 -1.45 0.00 0.00 41.25 39.49 1xf3 s ASN 145 CO -0.07 0.13 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.55 1xf3 s VAL 146 N -0.09 1.73 -0.08 -5.21 1.01 -1.26 -1.12 120.40 115.38 1xf3 s VAL 146 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1xf3 s VAL 146 Cb -0.08 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1xf3 s VAL 146 CO 0.00 0.49 -0.18 -0.75 0.00 0.00 0.00 175.10 174.66 1xf3 s LYS 147 N 0.16 2.34 0.09 2.72 2.20 -0.96 -4.98 119.74 121.31 1xf3 s LYS 147 Ca -0.10 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1xf3 s LYS 147 Cb -0.15 -1.83 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1xf3 s LYS 147 CO 0.05 0.12 0.31 -1.58 -0.36 0.00 0.00 175.35 173.89 1xf3 s TRP 148 N 0.47 3.51 -0.01 4.03 0.52 -1.26 -1.72 118.94 124.48 1xf3 s TRP 148 Ca -0.16 0.49 0.01 0.00 0.02 0.00 0.00 56.10 56.46 1xf3 s TRP 148 Cb -0.17 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.21 1xf3 s TRP 148 CO 0.06 0.51 -0.02 0.15 0.02 0.00 0.00 176.95 177.67 1xf3 s LYS 149 N -2.42 0.24 -0.16 4.98 1.02 -1.02 -1.84 119.74 120.54 1xf3 s LYS 149 Ca 0.37 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.30 1xf3 s LYS 149 Cb -0.13 -0.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.94 1xf3 s LYS 149 CO 0.24 0.03 -0.20 0.42 -0.92 0.00 0.00 175.35 174.92 1xf3 s ILE 150 N 0.09 1.99 0.00 2.17 1.01 -0.88 -1.66 121.20 123.91 1xf3 s ILE 150 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1xf3 s ILE 150 Cb -0.03 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1xf3 s ILE 150 CO -0.00 0.53 0.00 0.47 0.00 0.00 0.00 174.94 175.94 1xf3 n ASP 151 N 4.39 0.00 -2.53 3.58 8.00 -0.36 -3.07 116.55 126.56 1xf3 n ASP 151 Ca -0.20 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.97 1xf3 n ASP 151 Cb 0.51 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1xf3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf3 n GLY 152 N 0.00 5.86 3.53 0.44 0.00 -1.26 -4.90 105.19 108.86 1xf3 n GLY 152 Ca 0.00 -2.53 -0.14 0.00 0.00 0.00 0.00 46.02 43.35 1xf3 n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xf3 s SER 153 N -2.21 -0.65 0.57 1.61 1.04 -1.17 -5.16 113.70 107.72 1xf3 s SER 153 Ca 0.54 1.20 -0.21 0.00 0.48 0.00 0.00 55.95 57.97 1xf3 s SER 153 Cb 0.44 1.20 -0.04 0.00 0.10 0.00 0.00 66.02 67.73 1xf3 s SER 153 CO -0.19 -0.26 1.31 -0.70 0.98 0.00 0.00 173.24 174.38 1xf3 s GLU 154 N 0.15 3.03 -0.16 4.02 2.12 -1.26 -2.08 118.70 124.52 1xf3 s GLU 154 Ca -0.01 2.12 0.02 0.00 0.36 0.00 0.00 54.97 57.45 1xf3 s GLU 154 Cb -0.04 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.23 1xf3 s GLU 154 CO 0.02 -1.24 -0.20 0.50 -0.54 0.00 0.00 175.26 173.79 1xf3 s ARG 155 N -3.04 2.91 -0.18 4.30 6.06 -0.77 -4.82 118.95 123.42 1xf3 s ARG 155 Ca 0.74 -0.81 -0.17 0.00 -2.50 0.00 0.00 55.73 52.99 1xf3 s ARG 155 Cb -0.38 -2.44 -0.14 0.00 0.06 0.00 0.00 34.95 32.05 1xf3 s ARG 155 CO 0.43 -0.11 0.13 1.96 -2.50 0.00 0.00 175.30 175.21 1xf3 h GLN 156 N 7.63 0.00 -6.38 5.12 7.50 -1.96 -3.37 115.11 123.65 1xf3 h GLN 156 Ca -0.38 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.29 1xf3 h GLN 156 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1xf3 h GLN 156 CO 0.59 0.66 -0.28 0.54 -1.50 0.00 0.00 178.83 178.83 1xf3 s ASN 157 N -6.42 6.31 0.00 1.46 6.03 -1.26 -4.07 114.94 117.00 1xf3 s ASN 157 Ca -0.23 0.32 0.00 0.00 -1.03 0.00 0.00 52.86 51.92 1xf3 s ASN 157 Cb 0.04 -1.97 0.00 0.00 -3.03 0.00 0.00 41.25 36.29 1xf3 s ASN 157 CO 0.46 -0.20 0.00 0.61 -2.03 0.00 0.00 177.10 175.94 1xf3 n GLY 158 N -1.58 0.85 3.61 0.45 0.00 -1.26 -4.87 105.19 102.39 1xf3 n GLY 158 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1xf3 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf3 s VAL 159 N -2.55 5.08 -0.16 1.61 1.01 -1.26 -1.61 120.40 122.53 1xf3 s VAL 159 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 1xf3 s VAL 159 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1xf3 s VAL 159 CO 0.00 0.08 -0.09 -0.76 0.00 0.00 0.00 175.10 174.34 1xf3 s LEU 160 N 2.28 2.87 0.12 3.92 1.02 -0.62 -4.97 118.68 123.29 1xf3 s LEU 160 Ca 0.20 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 54.11 1xf3 s LEU 160 Cb -0.16 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 1xf3 s LEU 160 CO 0.09 0.11 -0.06 0.20 0.02 0.00 0.00 176.35 176.71 1xf3 s ASN 161 N 0.69 4.59 -0.04 2.29 0.02 -1.26 -1.89 114.94 119.34 1xf3 s ASN 161 Ca -0.04 -0.35 -0.07 0.00 -1.02 0.00 0.00 52.86 51.37 1xf3 s ASN 161 Cb -0.15 -0.94 0.01 0.00 0.02 0.00 0.00 41.25 40.19 1xf3 s ASN 161 CO 0.02 0.16 0.18 -0.55 0.02 0.00 0.00 177.10 176.93 1xf3 s SER 162 N -2.37 -0.12 0.01 -1.22 0.15 -0.78 -5.01 113.70 104.35 1xf3 s SER 162 Ca 0.23 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1xf3 s SER 162 Cb -0.11 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1xf3 s SER 162 CO 0.16 -0.19 -0.15 0.26 1.20 0.00 0.00 173.24 174.52 1xf3 s TRP 163 N -0.47 1.35 0.53 3.44 0.51 -1.26 -1.38 118.94 121.65 1xf3 s TRP 163 Ca -0.06 -0.29 -0.12 0.00 -2.12 0.00 0.00 56.10 53.51 1xf3 s TRP 163 Cb -0.04 -0.84 -0.06 0.00 -0.81 0.00 0.00 33.47 31.72 1xf3 s TRP 163 CO 0.01 0.00 0.94 0.95 -0.51 0.00 0.00 176.95 178.34 1xf3 s THR 164 N -0.51 4.68 1.09 2.01 -4.23 -0.87 -5.03 115.64 112.77 1xf3 s THR 164 Ca 0.05 0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 1xf3 s THR 164 Cb -0.06 -3.79 0.23 0.00 1.34 0.00 0.00 72.50 70.22 1xf3 s THR 164 CO 0.00 -0.84 1.11 1.51 -0.54 0.00 0.00 174.62 175.86 1xf3 s ASP 165 N -3.58 1.88 0.35 3.99 3.84 -1.26 -4.60 116.67 117.30 1xf3 s ASP 165 Ca 0.55 0.89 -0.28 0.00 -0.00 0.00 0.00 52.55 53.71 1xf3 s ASP 165 Cb -0.10 -1.35 -0.10 0.00 -1.38 0.00 0.00 42.92 39.99 1xf3 s ASP 165 CO 0.41 -3.56 1.32 -1.58 -0.00 0.00 0.00 175.17 171.76 1xf3 s GLN 166 N -5.20 4.25 0.50 2.11 0.74 -1.26 -4.76 119.66 116.04 1xf3 s GLN 166 Ca 0.68 2.23 -0.22 0.00 0.05 0.00 0.00 55.36 58.09 1xf3 s GLN 166 Cb -0.14 -2.99 -0.06 0.00 1.10 0.00 0.00 33.01 30.91 1xf3 s GLN 166 CO 0.57 -0.28 1.25 0.34 -0.55 0.00 0.00 175.29 176.62 1xf3 s ASP 167 N -0.52 5.75 0.05 6.67 -1.08 -0.65 -4.92 116.67 121.97 1xf3 s ASP 167 Ca 0.51 2.52 -0.30 0.00 -0.52 0.00 0.00 52.55 54.76 1xf3 s ASP 167 Cb -0.40 -2.62 -0.18 0.00 -1.46 0.00 0.00 42.92 38.27 1xf3 s ASP 167 CO 0.53 -1.22 1.45 0.28 0.52 0.00 0.00 175.17 176.73 1xf3 h SER 168 N 1.77 -0.67 0.09 -0.34 0.02 -1.93 -3.14 113.55 109.35 1xf3 h SER 168 Ca -0.50 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1xf3 h SER 168 Cb 1.27 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1xf3 h SER 168 CO 0.59 -0.39 -0.04 0.11 -1.14 0.00 0.00 176.83 175.95 1xf3 h LYS 169 N -0.92 -0.11 -0.42 3.45 6.56 -2.01 -3.39 116.57 119.73 1xf3 h LYS 169 Ca -0.08 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1xf3 h LYS 169 Cb 0.65 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1xf3 h LYS 169 CO 0.13 -0.07 0.00 -0.40 -2.06 0.00 0.00 179.45 177.05 1xf3 n ASP 170 N -2.58 3.19 -3.59 0.86 5.68 -1.26 -4.98 116.55 113.87 1xf3 n ASP 170 Ca -0.01 -1.96 -0.27 0.00 -0.50 0.00 0.00 54.79 52.05 1xf3 n ASP 170 Cb 0.05 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 39.77 1xf3 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xf3 n SER 171 N 1.29 -4.72 -2.62 -1.12 7.64 -1.18 -4.96 113.62 107.94 1xf3 n SER 171 Ca 0.19 -0.57 -0.05 0.00 1.01 0.00 0.00 58.87 59.46 1xf3 n SER 171 Cb 0.55 -3.81 0.01 0.00 -1.01 0.00 0.00 64.21 59.95 1xf3 n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xf3 n THR 172 N -4.43 0.00 -4.32 0.44 -2.24 -1.26 -4.75 114.28 97.72 1xf3 n THR 172 Ca -0.00 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 1xf3 n THR 172 Cb 0.55 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 1xf3 n THR 172 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1xf3 s TYR 173 N -0.02 1.65 0.09 4.78 1.13 -0.16 -1.63 117.35 123.19 1xf3 s TYR 173 Ca 0.11 -0.56 -0.05 0.00 -1.41 0.00 0.00 57.07 55.16 1xf3 s TYR 173 Cb -0.01 -0.80 -0.02 0.00 -1.10 0.00 0.00 41.96 40.03 1xf3 s TYR 173 CO 0.07 0.30 0.10 -1.12 -2.51 0.00 0.00 175.55 172.38 1xf3 s SER 174 N -3.03 0.28 -0.12 -0.18 0.01 -1.26 -1.03 113.70 108.36 1xf3 s SER 174 Ca 0.18 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.48 1xf3 s SER 174 Cb -0.02 0.29 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1xf3 s SER 174 CO 0.06 -0.70 0.31 -0.32 0.41 0.00 0.00 173.24 173.00 1xf3 s MET 175 N -3.92 0.30 -0.09 12.44 1.75 -0.22 -2.06 119.30 127.50 1xf3 s MET 175 Ca 0.10 0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 55.08 1xf3 s MET 175 Cb 0.06 -0.00 -0.03 0.00 2.84 0.00 0.00 34.83 37.70 1xf3 s MET 175 CO -0.08 -0.12 -0.02 0.45 -0.65 0.00 0.00 175.02 174.60 1xf3 s SER 176 N 0.95 5.05 -0.06 1.11 0.15 -0.48 -1.10 113.70 119.33 1xf3 s SER 176 Ca -0.06 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1xf3 s SER 176 Cb -0.07 -1.45 0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1xf3 s SER 176 CO -0.07 0.35 0.00 -0.55 1.20 0.00 0.00 173.24 174.17 1xf3 s SER 177 N -0.69 1.41 -0.15 5.45 0.15 -0.28 -1.87 113.70 117.72 1xf3 s SER 177 Ca 0.11 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1xf3 s SER 177 Cb -0.12 -0.41 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1xf3 s SER 177 CO 0.02 -0.18 -0.19 -0.89 1.20 0.00 0.00 173.24 173.20 1xf3 s THR 178 N 1.82 2.26 -0.25 6.45 2.01 -0.79 -0.58 115.64 126.55 1xf3 s THR 178 Ca 0.02 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1xf3 s THR 178 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1xf3 s THR 178 CO -0.04 0.54 0.17 -0.22 -0.69 0.00 0.00 174.62 174.37 1xf3 s LEU 179 N 0.90 4.07 -0.06 4.42 2.96 -0.09 -1.59 118.68 129.29 1xf3 s LEU 179 Ca -0.05 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1xf3 s LEU 179 Cb -0.15 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1xf3 s LEU 179 CO -0.03 0.02 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.02 1xf3 s THR 180 N 1.30 3.27 0.13 3.68 2.01 -0.63 -0.91 115.64 124.50 1xf3 s THR 180 Ca 0.07 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1xf3 s THR 180 Cb -0.14 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1xf3 s THR 180 CO 0.07 0.59 0.17 -0.76 -0.69 0.00 0.00 174.62 174.00 1xf3 s LEU 181 N -0.65 1.40 0.78 4.42 1.43 -0.08 -4.69 118.68 121.29 1xf3 s LEU 181 Ca 0.10 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1xf3 s LEU 181 Cb -0.11 0.81 0.06 0.00 0.03 0.00 0.00 46.19 46.98 1xf3 s LEU 181 CO 0.01 -0.80 1.09 0.42 0.23 0.00 0.00 176.35 177.31 1xf3 s THR 182 N -3.97 3.26 0.35 5.49 -4.23 -1.26 -2.25 115.64 113.02 1xf3 s THR 182 Ca 0.17 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 61.13 1xf3 s THR 182 Cb 0.05 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1xf3 s THR 182 CO -0.02 -0.53 1.94 0.50 -0.54 0.00 0.00 174.62 175.97 1xf3 h LYS 183 N -1.14 0.65 -0.17 3.99 3.64 -1.82 -1.70 116.57 120.01 1xf3 h LYS 183 Ca -0.44 -0.09 -0.18 0.00 -1.27 0.00 0.00 60.65 58.67 1xf3 h LYS 183 Cb 1.23 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1xf3 h LYS 183 CO 0.51 0.54 -0.64 -0.44 -2.27 0.00 0.00 179.45 177.15 1xf3 h ASP 184 N 0.64 0.71 -0.20 4.20 3.45 -1.92 -0.12 116.42 123.19 1xf3 h ASP 184 Ca 0.16 -0.42 -0.02 0.00 0.43 0.00 0.00 57.03 57.18 1xf3 h ASP 184 Cb 0.13 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1xf3 h ASP 184 CO -0.02 1.17 0.05 -0.33 -1.57 0.00 0.00 179.24 178.55 1xf3 h GLU 185 N 0.46 0.31 -0.90 3.56 5.08 -1.91 -2.25 114.58 118.92 1xf3 h GLU 185 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xf3 h GLU 185 Cb 1.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1xf3 h GLU 185 CO 0.12 0.44 0.51 -0.92 -1.00 0.00 0.00 179.01 178.16 1xf3 h TYR 186 N 0.13 1.22 0.00 4.33 3.20 -1.17 -2.72 116.97 121.97 1xf3 h TYR 186 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1xf3 h TYR 186 Cb 0.26 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1xf3 h TYR 186 CO 0.01 0.83 -0.02 0.93 -1.64 0.00 0.00 178.16 178.27 1xf3 h GLU 187 N 1.26 0.00 0.00 1.82 5.08 -1.02 -3.20 114.58 118.52 1xf3 h GLU 187 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xf3 h GLU 187 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xf3 h GLU 187 CO -0.05 0.02 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 1xf3 n ARG 188 N -3.11 0.29 -4.12 2.33 1.74 -0.85 -4.85 116.66 108.10 1xf3 n ARG 188 Ca 0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 1xf3 n ARG 188 Cb 0.51 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 1xf3 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xf3 s HIS 189 N -2.71 0.95 -0.10 -1.55 3.76 -1.21 -5.09 115.29 109.34 1xf3 s HIS 189 Ca 0.24 -0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 1xf3 s HIS 189 Cb 0.20 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 33.32 1xf3 s HIS 189 CO 0.48 -0.01 -0.14 -1.71 -0.85 0.00 0.00 174.74 172.51 1xf3 n ASN 190 N 1.35 1.22 -4.85 1.40 4.05 -1.26 -4.83 115.26 112.34 1xf3 n ASN 190 Ca -0.22 0.46 -0.35 0.00 0.45 0.00 0.00 54.58 54.91 1xf3 n ASN 190 Cb 0.54 -0.73 -0.06 0.00 1.23 0.00 0.00 39.78 40.77 1xf3 n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1xf3 s SER 191 N -5.04 6.76 -0.05 1.20 1.04 -1.26 -1.68 113.70 114.67 1xf3 s SER 191 Ca -0.11 0.97 -0.01 0.00 0.48 0.00 0.00 55.95 57.27 1xf3 s SER 191 Cb 0.02 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.92 1xf3 s SER 191 CO 0.17 0.16 0.01 -0.31 0.98 0.00 0.00 173.24 174.25 1xf3 s TYR 192 N -1.39 0.47 0.24 5.02 2.02 -1.03 -1.22 117.35 121.46 1xf3 s TYR 192 Ca 0.34 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 57.05 1xf3 s TYR 192 Cb -0.15 -0.64 -0.05 0.00 -0.40 0.00 0.00 41.96 40.71 1xf3 s TYR 192 CO 0.18 -0.25 -0.03 0.95 -1.57 0.00 0.00 175.55 174.84 1xf3 s THR 193 N 1.76 1.24 -0.26 -0.71 -4.23 -0.67 -2.38 115.64 110.40 1xf3 s THR 193 Ca 0.01 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1xf3 s THR 193 Cb -0.13 -2.36 0.11 0.00 1.34 0.00 0.00 72.50 71.47 1xf3 s THR 193 CO -0.04 -0.34 0.22 0.00 -0.54 0.00 0.00 174.62 173.93 1xf3 s GLU 195 N 2.28 4.22 -0.39 0.00 2.02 -0.70 -2.86 118.70 123.27 1xf3 s GLU 195 Ca 0.08 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.06 1xf3 s GLU 195 Cb -0.15 -3.45 0.08 0.00 0.10 0.00 0.00 34.13 30.70 1xf3 s GLU 195 CO -0.26 0.18 0.19 0.00 0.02 0.00 0.00 175.26 175.39 1xf3 s ALA 196 N 0.66 3.15 -0.50 5.21 0.00 0.24 -2.27 121.76 128.25 1xf3 s ALA 196 Ca 0.15 -2.14 -0.20 0.00 0.00 0.00 0.00 51.96 49.77 1xf3 s ALA 196 Cb -0.13 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.60 1xf3 s ALA 196 CO 0.04 -1.59 0.68 0.99 0.00 0.00 0.00 175.76 175.88 1xf3 s THR 197 N 1.32 4.78 0.13 0.00 2.01 -0.28 -2.07 115.64 121.53 1xf3 s THR 197 Ca 0.03 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 61.89 1xf3 s THR 197 Cb -0.22 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1xf3 s THR 197 CO 0.00 -0.80 -0.19 -2.28 -0.69 0.00 0.00 174.62 170.66 1xf3 s HIS 198 N 2.89 1.76 0.60 4.92 2.46 -1.26 -2.05 115.29 124.60 1xf3 s HIS 198 Ca 0.19 -0.45 0.32 0.00 0.47 0.00 0.00 55.06 55.59 1xf3 s HIS 198 Cb -0.17 -0.92 1.91 0.00 -0.13 0.00 0.00 32.58 33.27 1xf3 s HIS 198 CO 0.15 0.25 2.26 -0.22 -2.47 0.00 0.00 174.74 174.71 1xf3 h LYS 199 N 3.66 0.00 0.00 2.88 1.63 -1.94 -2.57 116.57 120.23 1xf3 h LYS 199 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1xf3 h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1xf3 h LYS 199 CO 0.46 0.00 0.00 0.25 -3.45 0.00 0.00 179.45 176.71 1xf3 n THR 200 N -3.72 0.00 -3.66 1.00 -2.24 -1.26 -4.60 114.28 99.80 1xf3 n THR 200 Ca -0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1xf3 n THR 200 Cb 0.10 -0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 1xf3 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xf3 s SER 201 N -1.93 -0.66 0.22 3.42 0.15 -0.97 -4.94 113.70 108.99 1xf3 s SER 201 Ca 0.28 1.25 -0.09 0.00 0.70 0.00 0.00 55.95 58.09 1xf3 s SER 201 Cb 0.13 1.25 0.22 0.00 -1.71 0.00 0.00 66.02 65.90 1xf3 s SER 201 CO 0.21 -0.22 1.87 0.71 1.20 0.00 0.00 173.24 177.02 1xf3 h THR 202 N 4.31 1.14 -3.41 6.45 1.35 -1.81 -3.41 112.91 117.53 1xf3 h THR 202 Ca -0.29 -0.34 -0.55 0.00 -0.55 0.00 0.00 66.41 64.68 1xf3 h THR 202 Cb 1.17 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.60 1xf3 h THR 202 CO 0.13 0.18 0.07 -0.44 -0.25 0.00 0.00 175.52 175.21 1xf3 s SER 203 N -5.85 7.17 0.33 5.36 0.01 -1.26 -5.01 113.70 114.45 1xf3 s SER 203 Ca -0.13 1.42 -0.28 0.00 1.31 0.00 0.00 55.95 58.28 1xf3 s SER 203 Cb 0.16 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.88 1xf3 s SER 203 CO 0.78 0.20 1.15 -2.84 0.41 0.00 0.00 173.24 172.95 1xf3 s PRO 204 N -1.32 4.42 -0.02 12.44 0.02 -1.26 -4.82 135.00 144.47 1xf3 s PRO 204 Ca 0.34 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 1xf3 s PRO 204 Cb -0.20 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1xf3 s PRO 204 CO 0.22 -0.01 1.13 0.42 -0.33 0.00 0.00 177.00 178.43 1xf3 s ILE 205 N -1.25 4.37 -0.16 2.83 1.01 -0.88 -4.81 121.20 122.30 1xf3 s ILE 205 Ca 0.49 1.69 -0.00 0.00 0.00 0.00 0.00 60.65 62.83 1xf3 s ILE 205 Cb -0.33 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 1xf3 s ILE 205 CO 0.42 0.06 -0.14 -0.69 0.00 0.00 0.00 174.94 174.60 1xf3 s VAL 206 N 1.61 2.78 -0.09 2.92 1.01 -1.26 -0.59 120.40 126.78 1xf3 s VAL 206 Ca 0.55 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1xf3 s VAL 206 Cb -0.25 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1xf3 s VAL 206 CO 0.25 0.50 -0.19 -0.54 0.00 0.00 0.00 175.10 175.12 1xf3 s LYS 207 N 0.90 2.91 0.27 2.72 -0.14 -1.14 -4.99 119.74 120.27 1xf3 s LYS 207 Ca -0.03 -0.79 -0.07 0.00 -1.36 0.00 0.00 55.97 53.73 1xf3 s LYS 207 Cb -0.15 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.60 1xf3 s LYS 207 CO -0.01 0.34 0.40 -1.54 -0.76 0.00 0.00 175.35 173.78 1xf3 s SER 208 N -0.02 0.32 -0.04 2.83 1.04 -1.26 -1.54 113.70 115.03 1xf3 s SER 208 Ca -0.06 -1.22 -0.16 0.00 0.48 0.00 0.00 55.95 54.99 1xf3 s SER 208 Cb -0.15 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1xf3 s SER 208 CO 0.05 -1.13 0.35 0.72 0.98 0.00 0.00 173.24 174.20 1xf3 s PHE 209 N -3.71 -0.26 -0.04 5.02 -0.12 -1.00 -5.03 117.98 112.85 1xf3 s PHE 209 Ca 0.29 0.46 -0.19 0.00 -0.05 0.00 0.00 56.93 57.44 1xf3 s PHE 209 Cb 0.01 0.13 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1xf3 s PHE 209 CO 0.14 -0.37 0.52 1.21 -0.05 0.00 0.00 175.22 176.66 1xf3 s ASN 210 N -1.04 6.84 0.16 1.98 2.47 -1.26 -2.46 114.94 121.64 1xf3 s ASN 210 Ca -0.11 1.00 -0.15 0.00 0.42 0.00 0.00 52.86 54.02 1xf3 s ASN 210 Cb -0.04 -2.31 0.05 0.00 -1.45 0.00 0.00 41.25 37.49 1xf3 s ASN 210 CO 0.04 0.11 1.81 -0.09 -3.72 0.00 0.00 177.10 175.25 1xf3 h ARG 211 N 5.81 0.52 -5.64 0.43 2.43 -1.64 -3.27 114.38 113.01 1xf3 h ARG 211 Ca -0.45 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.15 1xf3 h ARG 211 Cb 1.20 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 1xf3 h ARG 211 CO 0.70 0.34 1.77 0.27 -1.51 0.00 0.00 179.97 181.54 1xf3 n ASN 212 N -4.83 4.13 0.00 -3.80 0.23 -1.26 -5.16 115.26 104.58 1xf3 n ASN 212 Ca 0.02 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 1xf3 n ASN 212 Cb 0.05 -1.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.02 1xf3 n ASN 212 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54