#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf3 s LEU 2 N 0.00 4.09 -0.05 4.31 0.20 -1.26 -4.96 118.68 121.00 1xf3 s LEU 2 Ca 0.00 1.41 0.00 0.00 0.69 0.00 0.00 54.13 56.23 1xf3 s LEU 2 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.19 1xf3 s LEU 2 CO 0.00 -0.75 -0.02 -1.10 -0.29 0.00 0.00 176.35 174.19 1xf3 s GLN 3 N 3.40 2.83 -0.19 1.98 -0.21 -1.26 -4.97 119.66 121.24 1xf3 s GLN 3 Ca 0.48 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.35 1xf3 s GLN 3 Cb -0.17 -2.68 0.04 0.00 1.00 0.00 0.00 33.01 31.20 1xf3 s GLN 3 CO 0.11 0.67 -0.14 -1.64 -2.12 0.00 0.00 175.29 172.16 1xf3 s MET 4 N -1.07 2.37 -0.36 2.91 -1.94 -1.26 -1.50 119.30 118.46 1xf3 s MET 4 Ca 0.15 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1xf3 s MET 4 Cb -0.11 -2.48 0.03 0.00 2.01 0.00 0.00 34.83 34.28 1xf3 s MET 4 CO 0.04 -0.36 0.16 0.99 -0.01 0.00 0.00 175.02 175.85 1xf3 s THR 5 N 1.34 4.25 -0.15 2.05 2.01 0.02 -4.31 115.64 120.85 1xf3 s THR 5 Ca 0.00 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 1xf3 s THR 5 Cb -0.15 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1xf3 s THR 5 CO -0.09 -0.20 0.08 -1.58 -0.69 0.00 0.00 174.62 172.13 1xf3 s GLN 6 N 1.49 3.65 0.04 4.92 0.74 -1.26 -1.16 119.66 128.08 1xf3 s GLN 6 Ca 0.01 -0.29 -0.09 0.00 0.05 0.00 0.00 55.36 55.04 1xf3 s GLN 6 Cb -0.19 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1xf3 s GLN 6 CO 0.05 0.50 0.18 -1.54 -0.55 0.00 0.00 175.29 173.93 1xf3 s SER 7 N -0.26 0.06 0.72 6.67 1.04 -0.76 -4.53 113.70 116.64 1xf3 s SER 7 Ca 0.09 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 1xf3 s SER 7 Cb -0.12 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1xf3 s SER 7 CO 0.01 -0.54 1.10 -2.16 0.98 0.00 0.00 173.24 172.63 1xf3 s PRO 8 N -2.54 2.71 0.19 4.02 0.04 -1.26 -1.22 135.00 136.93 1xf3 s PRO 8 Ca -0.05 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 1xf3 s PRO 8 Cb -0.01 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.62 1xf3 s PRO 8 CO -0.04 -1.14 1.68 0.00 0.04 0.00 0.00 177.00 177.54 1xf3 h ALA 9 N -0.73 0.89 -2.53 8.56 0.00 -1.80 -3.40 119.26 120.25 1xf3 h ALA 9 Ca -0.45 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 1xf3 h ALA 9 Cb 1.26 -0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 1xf3 h ALA 9 CO 0.63 0.66 -0.69 -1.54 0.00 0.00 0.00 179.25 178.31 1xf3 s SER 10 N -6.49 0.46 -0.13 0.00 1.04 -1.26 -1.23 113.70 106.09 1xf3 s SER 10 Ca -0.12 -0.81 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 1xf3 s SER 10 Cb 0.14 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1xf3 s SER 10 CO 0.85 -0.47 0.31 -0.22 0.98 0.00 0.00 173.24 174.69 1xf3 s LEU 11 N -2.38 0.18 -0.10 2.42 2.96 -0.63 -4.94 118.68 116.19 1xf3 s LEU 11 Ca -0.01 0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 54.54 1xf3 s LEU 11 Cb 0.01 0.99 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 1xf3 s LEU 11 CO -0.06 -0.18 0.05 -0.44 -1.32 0.00 0.00 176.35 174.40 1xf3 s SER 12 N 1.35 5.67 0.16 3.68 0.01 -1.26 -0.76 113.70 122.55 1xf3 s SER 12 Ca -0.09 0.26 -0.24 0.00 1.31 0.00 0.00 55.95 57.19 1xf3 s SER 12 Cb -0.10 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.49 1xf3 s SER 12 CO -0.10 0.38 0.72 0.00 0.41 0.00 0.00 173.24 174.65 1xf3 s ALA 13 N -0.90 -1.55 0.25 1.44 0.00 -0.92 -4.88 121.76 115.20 1xf3 s ALA 13 Ca 0.14 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.51 1xf3 s ALA 13 Cb -0.12 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1xf3 s ALA 13 CO 0.03 -0.85 0.15 -1.12 0.00 0.00 0.00 175.76 173.97 1xf3 s SER 14 N -2.77 5.32 0.31 0.00 0.01 -1.26 -1.35 113.70 113.96 1xf3 s SER 14 Ca 0.05 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1xf3 s SER 14 Cb -0.02 -1.29 -0.11 0.00 0.21 0.00 0.00 66.02 64.81 1xf3 s SER 14 CO -0.06 -0.02 1.47 -0.69 0.41 0.00 0.00 173.24 174.35 1xf3 s VAL 15 N -2.15 2.36 0.00 3.43 1.01 -1.26 -2.23 120.40 121.56 1xf3 s VAL 15 Ca 0.32 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1xf3 s VAL 15 Cb -0.08 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1xf3 s VAL 15 CO 0.24 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1xf3 n GLY 16 N 1.49 3.26 3.85 4.51 0.00 -0.30 -4.89 105.19 113.10 1xf3 n GLY 16 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1xf3 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf3 s GLU 17 N -0.54 2.91 -0.15 1.61 2.02 -0.95 -4.17 118.70 119.43 1xf3 s GLU 17 Ca 0.00 0.71 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 1xf3 s GLU 17 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1xf3 s GLU 17 CO 0.00 -1.06 -0.08 0.99 0.02 0.00 0.00 175.26 175.14 1xf3 s THR 18 N -3.18 3.50 0.11 3.63 2.01 -1.26 -0.83 115.64 119.62 1xf3 s THR 18 Ca 0.58 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.13 1xf3 s THR 18 Cb -0.13 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1xf3 s THR 18 CO 0.54 0.50 -0.12 0.68 -0.69 0.00 0.00 174.62 175.53 1xf3 s VAL 19 N 0.46 1.14 -0.06 3.82 -7.23 -0.91 -4.98 120.40 112.65 1xf3 s VAL 19 Ca -0.06 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1xf3 s VAL 19 Cb -0.15 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1xf3 s VAL 19 CO 0.04 -0.49 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.30 1xf3 s THR 20 N -2.30 1.29 -0.09 5.32 2.01 -1.26 -1.02 115.64 119.59 1xf3 s THR 20 Ca 0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1xf3 s THR 20 Cb -0.04 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1xf3 s THR 20 CO 0.02 0.39 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.60 1xf3 s ILE 21 N 0.41 3.35 0.24 1.82 1.01 -0.09 -4.77 121.20 123.16 1xf3 s ILE 21 Ca -0.11 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.05 1xf3 s ILE 21 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1xf3 s ILE 21 CO 0.04 0.57 -0.09 0.42 0.00 0.00 0.00 174.94 175.87 1xf3 s THR 22 N -0.38 3.08 -0.07 2.92 -4.23 -0.36 -0.46 115.64 116.15 1xf3 s THR 22 Ca 0.05 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1xf3 s THR 22 Cb -0.12 -2.60 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1xf3 s THR 22 CO 0.02 -0.30 0.15 0.00 -0.54 0.00 0.00 174.62 173.95 1xf3 s ARG 24 N 1.12 2.74 0.08 0.00 3.52 -0.31 -1.11 118.95 124.99 1xf3 s ARG 24 Ca -0.09 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.59 1xf3 s ARG 24 Cb -0.11 -2.12 -0.06 0.00 -1.56 0.00 0.00 34.95 31.10 1xf3 s ARG 24 CO -0.06 0.19 0.44 0.00 -0.81 0.00 0.00 175.30 175.06 1xf3 s ALA 25 N 0.31 3.69 -0.26 6.12 0.00 -0.22 -0.80 121.76 130.60 1xf3 s ALA 25 Ca -0.16 -0.29 0.28 0.00 0.00 0.00 0.00 51.96 51.79 1xf3 s ALA 25 Cb -0.17 -2.35 1.11 0.00 0.00 0.00 0.00 23.12 21.71 1xf3 s ALA 25 CO 0.07 0.52 1.82 0.66 0.00 0.00 0.00 175.76 178.84 1xf3 h SER 26 N 3.87 0.00 -5.50 0.00 4.64 -1.59 -3.45 113.55 111.52 1xf3 h SER 26 Ca -0.49 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.61 1xf3 h SER 26 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1xf3 h SER 26 CO 0.65 0.00 -0.35 -1.83 -0.87 0.00 0.00 176.83 174.43 1xf3 s GLU 27 N -3.45 1.53 -0.08 4.77 -1.05 -1.26 -4.99 118.70 114.17 1xf3 s GLU 27 Ca 0.03 -1.58 -0.31 0.00 -0.15 0.00 0.00 54.97 52.96 1xf3 s GLU 27 Cb 0.09 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 34.07 1xf3 s GLU 27 CO 0.47 -0.59 2.02 -1.71 0.95 0.00 0.00 175.26 176.40 1xf3 n ASN 28 N -0.70 3.62 -0.25 0.83 5.15 -1.26 -4.58 115.26 118.07 1xf3 n ASN 28 Ca 0.01 0.74 0.06 0.00 -0.60 0.00 0.00 54.58 54.80 1xf3 n ASN 28 Cb 0.63 -1.47 0.12 0.00 -0.53 0.00 0.00 39.78 38.53 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 6.01 1.57 0.00 -1.44 -5.35 -0.26 -5.01 119.36 114.88 1xf3 n ILE 29 Ca 0.24 -1.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.06 1xf3 n ILE 29 Cb 0.37 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.76 0.00 -0.14 4.28 4.02 -1.24 -1.07 117.16 122.24 1xf3 n TYR 30 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.04 1xf3 n TYR 30 Cb 0.53 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.96 1xf3 n TYR 30 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xf3 n SER 31 N 9.99 2.67 -3.81 7.72 3.41 -1.26 -1.07 113.62 131.27 1xf3 n SER 31 Ca 0.00 -2.02 -0.42 0.00 -0.26 0.00 0.00 58.87 56.16 1xf3 n SER 31 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1xf3 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xf3 n TYR 32 N 0.19 2.91 -4.00 7.33 4.01 -0.23 -1.77 117.16 125.59 1xf3 n TYR 32 Ca 0.08 -2.80 -0.23 0.00 -0.16 0.00 0.00 57.90 54.80 1xf3 n TYR 32 Cb 0.38 -1.98 -0.17 0.00 -0.31 0.00 0.00 39.34 37.27 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 -0.20 1.06 0.23 7.72 1.98 -1.26 -2.12 118.68 126.08 1xf3 s LEU 33 Ca 0.42 -0.16 0.09 0.00 -2.89 0.00 0.00 54.13 51.59 1xf3 s LEU 33 Cb 0.11 -0.55 -0.04 0.00 0.66 0.00 0.00 46.19 46.37 1xf3 s LEU 33 CO -0.01 -0.11 -0.01 0.00 -1.89 0.00 0.00 176.35 174.33 1xf3 s ALA 34 N 1.43 3.15 0.03 5.97 0.00 0.06 -0.77 121.76 131.63 1xf3 s ALA 34 Ca -0.02 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.45 1xf3 s ALA 34 Cb -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 1xf3 s ALA 34 CO -0.03 0.35 -0.19 -1.58 0.00 0.00 0.00 175.76 174.31 1xf3 s TRP 35 N -2.08 1.63 0.03 0.00 0.52 0.17 -0.71 118.94 118.51 1xf3 s TRP 35 Ca 0.29 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.09 1xf3 s TRP 35 Cb -0.08 -0.98 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1xf3 s TRP 35 CO 0.19 0.06 -0.10 0.71 0.02 0.00 0.00 176.95 177.83 1xf3 s TYR 36 N -0.75 0.89 -0.09 -1.98 1.51 0.98 -0.86 117.35 117.06 1xf3 s TYR 36 Ca 0.06 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1xf3 s TYR 36 Cb -0.08 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1xf3 s TYR 36 CO 0.01 -0.01 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.30 1xf3 s GLN 37 N -1.04 2.99 -0.14 -0.62 0.74 -0.36 -1.01 119.66 120.22 1xf3 s GLN 37 Ca -0.02 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 54.96 1xf3 s GLN 37 Cb -0.07 -2.78 0.04 0.00 1.10 0.00 0.00 33.01 31.29 1xf3 s GLN 37 CO 0.01 0.68 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.26 1xf3 s GLN 38 N -0.83 1.10 0.47 1.67 0.74 0.10 -0.79 119.66 122.12 1xf3 s GLN 38 Ca 0.13 -0.28 -0.12 0.00 0.05 0.00 0.00 55.36 55.13 1xf3 s GLN 38 Cb -0.11 -1.67 -0.06 0.00 1.10 0.00 0.00 33.01 32.26 1xf3 s GLN 38 CO 0.02 -0.40 0.86 0.15 -0.55 0.00 0.00 175.29 175.37 1xf3 s LYS 39 N 1.78 3.78 0.17 1.67 -0.14 -1.26 -0.46 119.74 125.28 1xf3 s LYS 39 Ca 0.02 0.61 -0.34 0.00 -1.36 0.00 0.00 55.97 54.91 1xf3 s LYS 39 Cb -0.14 -2.28 -0.14 0.00 -1.68 0.00 0.00 37.83 33.59 1xf3 s LYS 39 CO -0.07 -0.18 1.58 1.04 -0.76 0.00 0.00 175.35 176.96 1xf3 n GLN 40 N -1.64 2.20 0.00 1.68 6.02 -1.26 -2.15 117.38 122.23 1xf3 n GLN 40 Ca 0.04 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1xf3 n GLN 40 Cb 0.54 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.24 1xf3 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xf3 n GLY 41 N 3.42 2.29 3.68 1.08 0.00 -1.26 -5.02 105.19 109.38 1xf3 n GLY 41 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 2.23 0.65 1.61 -0.14 -0.91 -5.13 119.74 117.78 1xf3 s LYS 42 Ca 0.00 -1.65 -0.16 0.00 -1.36 0.00 0.00 55.97 52.81 1xf3 s LYS 42 Cb 0.00 -2.05 -0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1xf3 s LYS 42 CO 0.00 0.13 1.12 -1.12 -0.76 0.00 0.00 175.35 174.72 1xf3 s SER 43 N -3.78 5.07 0.94 2.83 0.01 -1.26 -4.61 113.70 112.91 1xf3 s SER 43 Ca 0.36 2.07 -0.11 0.00 1.31 0.00 0.00 55.95 59.58 1xf3 s SER 43 Cb -0.01 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.82 1xf3 s SER 43 CO 0.21 -1.66 1.12 -2.84 0.41 0.00 0.00 173.24 170.48 1xf3 s PRO 44 N -3.97 0.80 -0.04 12.44 0.02 -1.26 -4.58 135.00 138.41 1xf3 s PRO 44 Ca 0.69 1.34 -0.02 0.00 0.02 0.00 0.00 61.00 63.02 1xf3 s PRO 44 Cb -0.22 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.61 1xf3 s PRO 44 CO 0.40 -2.71 0.09 -1.14 -0.33 0.00 0.00 177.00 173.31 1xf3 s GLN 45 N -4.66 0.05 0.17 5.54 0.74 0.03 -4.97 119.66 116.56 1xf3 s GLN 45 Ca 0.66 0.23 -0.31 0.00 0.05 0.00 0.00 55.36 56.00 1xf3 s GLN 45 Cb -0.22 -0.13 -0.09 0.00 1.10 0.00 0.00 33.01 33.67 1xf3 s GLN 45 CO 0.59 -0.12 1.39 -1.17 -0.55 0.00 0.00 175.29 175.43 1xf3 s LEU 46 N 0.79 4.39 -0.21 3.68 2.96 -1.26 -1.23 118.68 127.80 1xf3 s LEU 46 Ca -0.06 2.44 -0.09 0.00 -0.22 0.00 0.00 54.13 56.20 1xf3 s LEU 46 Cb -0.09 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1xf3 s LEU 46 CO -0.03 -0.64 -0.25 0.18 -1.32 0.00 0.00 176.35 174.29 1xf3 n LEU 47 N 3.26 1.69 -3.75 -0.68 4.77 -0.04 -4.77 117.00 117.49 1xf3 n LEU 47 Ca 0.09 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1xf3 n LEU 47 Cb 0.42 -0.62 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 1xf3 n LEU 47 CO 0.59 0.49 -0.09 -0.69 -1.33 0.00 0.00 177.39 176.36 1xf3 s VAL 48 N -2.38 -0.02 0.22 4.08 1.01 -1.15 -1.47 120.40 120.69 1xf3 s VAL 48 Ca -0.29 0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1xf3 s VAL 48 Cb 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1xf3 s VAL 48 CO 0.38 0.04 -0.11 -0.72 0.00 0.00 0.00 175.10 174.68 1xf3 s TYR 49 N 0.85 1.73 -1.55 5.22 -0.85 -0.24 -0.65 117.35 121.85 1xf3 s TYR 49 Ca -0.06 -0.64 -0.05 0.00 -0.52 0.00 0.00 57.07 55.80 1xf3 s TYR 49 Cb -0.07 -0.87 0.01 0.00 0.38 0.00 0.00 41.96 41.41 1xf3 s TYR 49 CO -0.06 0.29 0.60 0.09 -1.52 0.00 0.00 175.55 174.96 1xf3 n ASN 50 N -0.42 -6.01 0.00 -0.18 4.13 -1.16 -1.64 115.26 109.98 1xf3 n ASN 50 Ca -0.07 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.90 1xf3 n ASN 50 Cb 0.61 -4.86 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 1xf3 n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xf3 n ALA 51 N -3.55 0.00 -0.99 5.41 0.00 0.05 -4.31 120.51 117.11 1xf3 n ALA 51 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xf3 n ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 -3.38 0.00 2.85 -1.22 -3.03 118.16 113.39 1xf3 n LYS 52 Ca 0.00 -0.22 -0.39 0.00 -1.05 0.00 0.00 58.31 56.65 1xf3 n LYS 52 Cb 0.00 -0.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.79 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 -0.00 5.17 0.25 0.58 2.01 -0.65 -4.57 115.64 118.43 1xf3 s THR 53 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1xf3 s THR 53 Cb 0.00 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1xf3 s THR 53 CO 0.00 0.17 1.45 -0.76 -0.69 0.00 0.00 174.62 174.79 1xf3 s LEU 54 N 1.95 4.38 0.75 4.42 1.43 -1.26 -1.08 118.68 129.27 1xf3 s LEU 54 Ca 0.16 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 1xf3 s LEU 54 Cb -0.16 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1xf3 s LEU 54 CO 0.09 -0.72 1.11 0.00 0.23 0.00 0.00 176.35 177.07 1xf3 s ALA 55 N 0.02 2.71 0.42 4.21 0.00 -0.54 -4.88 121.76 123.72 1xf3 s ALA 55 Ca 0.60 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1xf3 s ALA 55 Cb -0.42 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1xf3 s ALA 55 CO 0.43 -1.37 1.22 -1.21 0.00 0.00 0.00 175.76 174.84 1xf3 s GLU 56 N -5.37 3.90 -0.00 0.00 0.41 -1.26 -3.38 118.70 112.99 1xf3 s GLU 56 Ca 0.59 1.95 0.00 0.00 -0.41 0.00 0.00 54.97 57.11 1xf3 s GLU 56 Cb -0.12 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1xf3 s GLU 56 CO 0.52 -0.48 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 1xf3 n GLY 57 N 0.62 0.47 3.54 -1.39 0.00 -1.26 -5.03 105.19 102.14 1xf3 n GLY 57 Ca 0.05 -0.03 -0.34 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 -1.95 3.97 0.31 1.61 1.01 -1.22 -5.09 120.40 119.04 1xf3 s VAL 58 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1xf3 s VAL 58 Cb 0.00 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1xf3 s VAL 58 CO 0.00 0.52 1.37 -2.84 0.00 0.00 0.00 175.10 174.15 1xf3 s PRO 59 N 0.01 4.30 0.00 2.72 0.02 -1.26 -4.90 135.00 135.90 1xf3 s PRO 59 Ca 0.01 2.28 0.16 0.00 0.02 0.00 0.00 61.00 63.46 1xf3 s PRO 59 Cb -0.13 -3.07 0.93 0.00 0.02 0.00 0.00 34.50 32.25 1xf3 s PRO 59 CO 0.03 -0.30 1.44 -1.13 -0.33 0.00 0.00 177.00 176.71 1xf3 n SER 60 N 1.28 0.00 0.10 2.53 3.41 -1.26 -2.08 113.62 117.59 1xf3 n SER 60 Ca 0.02 -1.04 0.11 0.00 -0.26 0.00 0.00 58.87 57.69 1xf3 n SER 60 Cb 0.41 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.81 1xf3 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1xf3 n ARG 61 N -0.82 0.14 -3.19 4.33 1.85 -1.26 -4.53 116.66 113.18 1xf3 n ARG 61 Ca 0.12 0.39 -0.40 0.00 -1.00 0.00 0.00 57.85 56.96 1xf3 n ARG 61 Cb 0.05 -1.78 -0.06 0.00 -1.05 0.00 0.00 32.46 29.62 1xf3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1xf3 s PHE 62 N -3.25 3.36 -0.02 2.89 0.08 -0.88 -1.12 117.98 119.03 1xf3 s PHE 62 Ca 0.05 0.82 0.01 0.00 0.12 0.00 0.00 56.93 57.92 1xf3 s PHE 62 Cb 0.09 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1xf3 s PHE 62 CO 0.35 -0.15 -0.04 -1.54 -0.10 0.00 0.00 175.22 173.74 1xf3 s SER 63 N 1.22 0.69 0.11 1.36 1.04 -0.63 -4.95 113.70 112.54 1xf3 s SER 63 Ca 0.26 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1xf3 s SER 63 Cb -0.16 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1xf3 s SER 63 CO 0.10 -0.01 0.21 -0.83 0.98 0.00 0.00 173.24 173.68 1xf3 s GLY 64 N 0.51 1.92 0.27 7.32 0.00 -1.26 -0.59 107.32 115.49 1xf3 s GLY 64 Ca -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 1xf3 s GLY 64 CO -0.00 -0.98 0.29 -1.35 0.00 0.00 0.00 173.10 171.05 1xf3 s SER 65 N -2.85 0.66 0.00 1.64 1.04 -0.16 -4.30 113.70 109.73 1xf3 s SER 65 Ca 0.33 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1xf3 s SER 65 Cb -0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1xf3 s SER 65 CO 0.27 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1xf3 n GLY 66 N -0.44 2.46 3.65 7.32 0.00 -1.26 -1.37 105.19 115.56 1xf3 n GLY 66 Ca 0.03 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.25 0.61 1.61 1.04 -1.09 -4.87 113.70 110.75 1xf3 s SER 67 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1xf3 s SER 67 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xf3 s SER 67 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1xf3 n GLY 68 N -0.39 1.84 0.02 7.32 0.00 -0.23 -3.42 105.19 110.33 1xf3 n GLY 68 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xf3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xf3 n THR 69 N 0.00 0.00 -4.16 2.61 -2.24 -1.26 -1.10 114.28 108.12 1xf3 n THR 69 Ca 0.00 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.02 1xf3 n THR 69 Cb 0.00 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1xf3 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1xf3 s GLN 70 N -0.30 1.67 0.04 -0.78 2.00 -1.22 -1.05 119.66 120.02 1xf3 s GLN 70 Ca 0.01 -0.34 0.01 0.00 -2.00 0.00 0.00 55.36 53.03 1xf3 s GLN 70 Cb 0.01 -1.58 -0.03 0.00 0.80 0.00 0.00 33.01 32.21 1xf3 s GLN 70 CO 0.01 -0.16 -0.05 -0.06 -0.50 0.00 0.00 175.29 174.53 1xf3 s PHE 71 N 1.31 0.50 -0.00 1.67 0.40 -0.26 -2.65 117.98 118.94 1xf3 s PHE 71 Ca -0.02 -0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1xf3 s PHE 71 Cb -0.14 -0.32 -0.00 0.00 0.51 0.00 0.00 43.02 43.07 1xf3 s PHE 71 CO -0.04 -0.19 0.01 -1.12 0.70 0.00 0.00 175.22 174.58 1xf3 s SER 72 N -1.92 0.01 -0.19 1.36 0.01 -0.47 -1.49 113.70 111.01 1xf3 s SER 72 Ca -0.07 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1xf3 s SER 72 Cb -0.05 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1xf3 s SER 72 CO -0.03 -0.02 -0.02 -0.22 0.41 0.00 0.00 173.24 173.36 1xf3 s LEU 73 N -0.09 3.21 -0.11 2.44 2.96 0.39 -0.99 118.68 126.49 1xf3 s LEU 73 Ca -0.01 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1xf3 s LEU 73 Cb -0.01 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1xf3 s LEU 73 CO -0.00 0.09 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.24 1xf3 s LYS 74 N 0.85 3.16 -0.29 1.98 2.20 0.24 -0.91 119.74 126.97 1xf3 s LYS 74 Ca 0.00 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1xf3 s LYS 74 Cb -0.14 -2.57 0.06 0.00 -1.51 0.00 0.00 37.83 33.67 1xf3 s LYS 74 CO 0.02 0.32 -0.04 0.42 -0.36 0.00 0.00 175.35 175.72 1xf3 s ILE 75 N 0.06 2.59 -0.41 5.43 1.01 -0.19 -1.61 121.20 128.07 1xf3 s ILE 75 Ca -0.05 -1.60 -0.22 0.00 0.00 0.00 0.00 60.65 58.78 1xf3 s ILE 75 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1xf3 s ILE 75 CO 0.04 -0.14 0.72 0.20 0.00 0.00 0.00 174.94 175.77 1xf3 s ASN 76 N 1.19 6.41 -0.31 3.58 0.01 -0.28 -2.15 114.94 123.40 1xf3 s ASN 76 Ca -0.05 -0.04 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 1xf3 s ASN 76 Cb -0.20 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1xf3 s ASN 76 CO -0.03 -0.78 0.39 -0.24 -1.51 0.00 0.00 177.10 174.93 1xf3 n SER 77 N 6.41 -6.47 -4.78 -1.22 2.88 -0.95 -4.81 113.62 104.68 1xf3 n SER 77 Ca 0.01 0.49 -0.41 0.00 -1.33 0.00 0.00 58.87 57.62 1xf3 n SER 77 Cb 0.48 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1xf3 n SER 77 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xf3 s LEU 78 N -2.08 4.29 0.25 2.46 1.43 -0.01 -4.62 118.68 120.39 1xf3 s LEU 78 Ca 0.16 3.00 0.08 0.00 -1.03 0.00 0.00 54.13 56.35 1xf3 s LEU 78 Cb -0.05 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1xf3 s LEU 78 CO 0.58 -0.91 0.06 -1.10 0.23 0.00 0.00 176.35 175.21 1xf3 s GLN 79 N -2.15 2.52 0.41 1.70 -1.52 -1.26 -1.15 119.66 118.21 1xf3 s GLN 79 Ca 0.54 -1.25 0.17 0.00 -1.95 0.00 0.00 55.36 52.87 1xf3 s GLN 79 Cb -0.46 -2.32 1.06 0.00 -0.22 0.00 0.00 33.01 31.07 1xf3 s GLN 79 CO 0.61 0.39 1.86 -1.35 -0.25 0.00 0.00 175.29 176.55 1xf3 h PRO 80 N 1.89 0.42 0.00 2.91 0.11 -1.99 -0.78 132.00 134.56 1xf3 h PRO 80 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xf3 h PRO 80 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xf3 h PRO 80 CO 0.60 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1xf3 n GLU 81 N -4.52 0.40 0.03 1.05 0.00 -1.26 -3.52 120.64 112.82 1xf3 n GLU 81 Ca 0.19 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.53 1xf3 n GLU 81 Cb 0.68 -1.50 0.56 0.00 0.00 0.00 0.00 31.44 31.17 1xf3 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xf3 n ASP 82 N -1.27 0.24 -4.72 -1.84 8.00 -0.30 -4.84 116.55 111.82 1xf3 n ASP 82 Ca 0.13 0.52 -0.41 0.00 0.71 0.00 0.00 54.79 55.74 1xf3 n ASP 82 Cb 0.20 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 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 -3.03 3.73 -5.00 1.24 0.08 -1.23 -4.87 117.98 108.90 1xf3 s PHE 83 Ca 0.13 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.87 1xf3 s PHE 83 Cb 0.17 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1xf3 s PHE 83 CO 0.55 0.12 0.00 0.41 -0.10 0.00 0.00 175.22 176.20 1xf3 n GLY 84 N 2.58 -0.20 3.83 4.36 0.00 -0.79 -4.79 105.19 110.17 1xf3 n GLY 84 Ca 0.03 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 5.76 -0.02 1.61 0.01 0.40 -0.59 113.70 116.86 1xf3 s SER 85 Ca 0.00 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1xf3 s SER 85 Cb 0.00 -1.60 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1xf3 s SER 85 CO 0.00 0.13 -0.12 -0.31 0.41 0.00 0.00 173.24 173.35 1xf3 s TYR 86 N -1.56 1.13 -0.03 2.43 1.51 -0.04 0.01 117.35 120.80 1xf3 s TYR 86 Ca 0.31 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 1xf3 s TYR 86 Cb -0.12 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1xf3 s TYR 86 CO 0.24 -0.07 -0.06 0.71 -1.11 0.00 0.00 175.55 175.26 1xf3 s TYR 87 N -0.06 0.75 0.33 2.71 1.51 -0.18 -0.96 117.35 121.46 1xf3 s TYR 87 Ca 0.01 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1xf3 s TYR 87 Cb -0.07 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1xf3 s TYR 87 CO 0.00 -0.12 0.55 0.00 -1.11 0.00 0.00 175.55 174.87 1xf3 s GLN 89 N -4.11 0.44 0.09 0.00 0.74 0.11 -0.82 119.66 116.10 1xf3 s GLN 89 Ca 0.41 1.03 -0.31 0.00 0.05 0.00 0.00 55.36 56.54 1xf3 s GLN 89 Cb -0.10 0.24 -0.08 0.00 1.10 0.00 0.00 33.01 34.17 1xf3 s GLN 89 CO 0.35 -0.20 1.58 -1.58 -0.55 0.00 0.00 175.29 174.89 1xf3 s HIS 90 N 2.07 2.70 -0.12 1.67 5.65 -0.50 -0.76 115.29 126.00 1xf3 s HIS 90 Ca -0.06 0.51 0.16 0.00 0.25 0.00 0.00 55.06 55.91 1xf3 s HIS 90 Cb -0.10 -3.90 0.27 0.00 -1.18 0.00 0.00 32.58 27.68 1xf3 s HIS 90 CO -0.15 -3.47 1.14 -2.39 -0.65 0.00 0.00 174.74 169.23 1xf3 n HIS 91 N 5.02 0.00 0.00 3.88 1.44 -0.90 -3.69 115.22 120.97 1xf3 n HIS 91 Ca 0.15 -0.93 0.00 0.00 -2.01 0.00 0.00 57.72 54.93 1xf3 n HIS 91 Cb 0.40 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.37 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 -1.20 0.00 -2.50 -1.40 4.02 -1.26 -5.01 117.16 109.80 1xf3 n TYR 92 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1xf3 n TYR 92 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 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 2.21 2.89 3.89 2.72 0.00 -1.26 -5.06 105.19 110.57 1xf3 n GLY 93 Ca 0.00 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 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 1.44 5.44 0.26 2.61 -4.23 -1.26 -3.95 115.64 115.95 1xf3 s THR 94 Ca 0.00 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1xf3 s THR 94 Cb 0.00 -3.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.28 1xf3 s THR 94 CO 0.00 0.49 0.64 -2.16 -0.54 0.00 0.00 174.62 173.06 1xf3 s PRO 95 N -1.42 3.94 -1.42 3.99 0.05 -1.26 -5.09 135.00 133.80 1xf3 s PRO 95 Ca 0.21 0.51 -0.12 0.00 0.05 0.00 0.00 61.00 61.65 1xf3 s PRO 95 Cb -0.13 -2.60 0.07 0.00 0.05 0.00 0.00 34.50 31.89 1xf3 s PRO 95 CO 0.11 0.27 2.21 1.28 0.05 0.00 0.00 177.00 180.92 1xf3 n LEU 96 N -0.08 7.08 -4.74 -3.56 4.77 -1.25 -4.90 117.00 114.32 1xf3 n LEU 96 Ca 0.01 -4.36 -0.41 0.00 -0.03 0.00 0.00 56.01 51.22 1xf3 n LEU 96 Cb 0.53 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 1xf3 n LEU 96 CO 0.43 1.35 0.79 -0.89 -1.33 0.00 0.00 177.39 177.74 1xf3 s THR 97 N 2.02 3.93 0.15 -5.08 2.01 -1.24 -4.67 115.64 112.75 1xf3 s THR 97 Ca 0.48 1.63 -0.17 0.00 0.31 0.00 0.00 61.69 63.94 1xf3 s THR 97 Cb 0.13 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1xf3 s THR 97 CO -0.06 0.27 0.59 -0.36 -0.69 0.00 0.00 174.62 174.37 1xf3 s PHE 98 N -0.11 3.66 0.91 4.92 0.08 -1.26 -1.41 117.98 124.76 1xf3 s PHE 98 Ca 0.50 1.18 -0.11 0.00 0.12 0.00 0.00 56.93 58.62 1xf3 s PHE 98 Cb -0.29 -2.46 0.14 0.00 -0.57 0.00 0.00 43.02 39.84 1xf3 s PHE 98 CO 0.34 0.45 1.09 0.20 -0.10 0.00 0.00 175.22 177.20 1xf3 s GLY 99 N -1.56 1.63 0.06 4.36 0.00 -0.00 -4.70 107.32 107.11 1xf3 s GLY 99 Ca 0.37 0.12 0.21 0.00 0.00 0.00 0.00 44.72 45.42 1xf3 s GLY 99 CO 0.20 0.59 1.66 0.00 0.00 0.00 0.00 173.10 175.55 1xf3 n ALA 100 N -4.01 1.91 0.00 3.20 0.00 -1.26 -4.66 120.51 115.69 1xf3 n ALA 100 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xf3 n ALA 100 Cb 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1xf3 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf3 n GLY 101 N 0.54 2.46 3.00 0.00 0.00 -1.26 -5.04 105.19 104.89 1xf3 n GLY 101 Ca 0.04 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.23 1.31 -0.35 2.61 2.01 -0.13 -4.55 115.64 114.30 1xf3 s THR 102 Ca 0.00 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 1xf3 s THR 102 Cb 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1xf3 s THR 102 CO 0.00 0.41 0.59 -0.75 -0.69 0.00 0.00 174.62 174.17 1xf3 s LYS 103 N 1.25 3.65 -0.39 4.92 2.36 -0.37 -0.86 119.74 130.31 1xf3 s LYS 103 Ca -0.02 -0.04 -0.16 0.00 -2.55 0.00 0.00 55.97 53.20 1xf3 s LYS 103 Cb -0.14 -3.81 0.01 0.00 -1.05 0.00 0.00 37.83 32.84 1xf3 s LYS 103 CO -0.05 -0.70 0.36 -1.17 1.55 0.00 0.00 175.35 175.34 1xf3 s LEU 104 N 2.58 4.76 0.21 5.43 2.96 0.24 -1.60 118.68 133.26 1xf3 s LEU 104 Ca 0.22 -0.57 0.10 0.00 -0.22 0.00 0.00 54.13 53.65 1xf3 s LEU 104 Cb -0.15 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1xf3 s LEU 104 CO 0.14 -0.44 -0.13 -1.83 -1.32 0.00 0.00 176.35 172.78 1xf3 s GLU 105 N 1.94 1.93 -0.12 1.98 4.04 0.06 -1.89 118.70 126.63 1xf3 s GLU 105 Ca 0.09 -1.41 -0.29 0.00 0.04 0.00 0.00 54.97 53.40 1xf3 s GLU 105 Cb -0.17 -2.04 -0.01 0.00 0.02 0.00 0.00 34.13 31.92 1xf3 s GLU 105 CO 0.12 0.40 1.12 -1.17 -1.84 0.00 0.00 175.26 173.89 1xf3 s LEU 106 N -3.00 4.22 0.21 1.83 2.96 -1.26 -2.16 118.68 121.48 1xf3 s LEU 106 Ca 0.25 1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 55.48 1xf3 s LEU 106 Cb -0.08 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 1xf3 s LEU 106 CO 0.15 -0.59 1.42 -0.75 -1.32 0.00 0.00 176.35 175.26 1xf3 s LYS 107 N 2.55 4.29 0.35 1.98 2.47 -0.46 -4.84 119.74 126.09 1xf3 s LYS 107 Ca 0.51 2.23 0.02 0.00 -1.56 0.00 0.00 55.97 57.17 1xf3 s LYS 107 Cb -0.20 -3.15 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1xf3 s LYS 107 CO 0.16 -0.41 0.41 -0.98 0.16 0.00 0.00 175.35 174.69 1xf3 s ARG 108 N 0.07 1.91 0.51 4.03 1.70 -1.26 -4.88 118.95 121.03 1xf3 s ARG 108 Ca 0.61 -1.91 -0.21 0.00 -0.47 0.00 0.00 55.73 53.75 1xf3 s ARG 108 Cb -0.40 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.31 1xf3 s ARG 108 CO 0.39 -0.76 1.16 0.00 -1.08 0.00 0.00 175.30 175.01 1xf3 s ALA 109 N -3.09 2.81 0.37 7.88 0.00 -1.26 -4.97 121.76 123.50 1xf3 s ALA 109 Ca 0.35 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1xf3 s ALA 109 Cb 0.00 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1xf3 s ALA 109 CO 0.25 -0.78 1.48 -0.25 0.00 0.00 0.00 175.76 176.46 1xf3 n ASP 110 N -0.94 3.72 -3.74 0.00 10.43 -1.26 -4.82 116.55 119.94 1xf3 n ASP 110 Ca 0.10 1.22 -0.15 0.00 2.57 0.00 0.00 54.79 58.53 1xf3 n ASP 110 Cb 0.49 -1.61 -0.16 0.00 1.84 0.00 0.00 41.12 41.69 1xf3 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xf3 s ALA 111 N -1.06 -0.08 0.41 2.24 0.00 -0.75 -4.93 121.76 117.60 1xf3 s ALA 111 Ca 0.54 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1xf3 s ALA 111 Cb -0.48 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 1xf3 s ALA 111 CO 0.63 -0.23 1.07 0.00 0.00 0.00 0.00 175.76 177.23 1xf3 s ALA 112 N 1.40 3.05 0.28 0.00 0.00 -1.26 -0.98 121.76 124.25 1xf3 s ALA 112 Ca -0.06 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1xf3 s ALA 112 Cb -0.12 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1xf3 s ALA 112 CO -0.05 -0.28 1.30 -1.25 0.00 0.00 0.00 175.76 175.48 1xf3 s PRO 113 N -2.59 4.39 -0.36 0.00 0.04 -1.26 -4.52 135.00 130.69 1xf3 s PRO 113 Ca 0.59 2.13 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 1xf3 s PRO 113 Cb -0.22 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.20 1xf3 s PRO 113 CO 0.28 -0.18 0.81 0.99 0.04 0.00 0.00 177.00 178.94 1xf3 s THR 114 N -0.68 4.71 -0.17 1.26 2.01 -0.50 -4.84 115.64 117.42 1xf3 s THR 114 Ca 0.52 0.93 -0.03 0.00 0.31 0.00 0.00 61.69 63.42 1xf3 s THR 114 Cb -0.38 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 1xf3 s THR 114 CO 0.46 -0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1xf3 s VAL 115 N 3.16 3.54 0.00 3.82 1.01 -1.26 -1.33 120.40 129.35 1xf3 s VAL 115 Ca 0.32 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1xf3 s VAL 115 Cb -0.13 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1xf3 s VAL 115 CO 0.17 0.47 -0.16 -0.44 0.00 0.00 0.00 175.10 175.14 1xf3 s SER 116 N 0.78 1.88 0.07 3.32 0.01 -0.63 -4.95 113.70 114.18 1xf3 s SER 116 Ca -0.02 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 56.98 1xf3 s SER 116 Cb -0.15 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1xf3 s SER 116 CO 0.02 0.17 -0.18 -0.51 0.41 0.00 0.00 173.24 173.14 1xf3 s ILE 117 N -0.49 2.79 -0.06 1.44 2.07 -1.26 -1.25 121.20 124.44 1xf3 s ILE 117 Ca 0.06 -1.32 -0.01 0.00 -1.41 0.00 0.00 60.65 57.96 1xf3 s ILE 117 Cb -0.07 -2.22 0.03 0.00 0.13 0.00 0.00 42.46 40.34 1xf3 s ILE 117 CO -0.00 0.24 0.00 -0.36 -1.91 0.00 0.00 174.94 172.91 1xf3 s PHE 118 N -1.01 0.61 0.95 3.50 0.40 0.17 -5.00 117.98 117.59 1xf3 s PHE 118 Ca 0.16 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 1xf3 s PHE 118 Cb -0.10 -0.75 0.16 0.00 0.51 0.00 0.00 43.02 42.84 1xf3 s PHE 118 CO 0.07 -0.30 1.09 -1.25 0.70 0.00 0.00 175.22 175.53 1xf3 s PRO 119 N 1.85 0.85 0.31 0.24 0.04 -1.26 -1.65 135.00 135.38 1xf3 s PRO 119 Ca 0.03 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1xf3 s PRO 119 Cb -0.12 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1xf3 s PRO 119 CO -0.04 -2.53 1.38 -2.30 0.04 0.00 0.00 177.00 173.55 1xf3 n PRO 120 N -4.08 2.23 -1.64 0.56 -0.02 -1.15 -4.79 135.00 126.11 1xf3 n PRO 120 Ca 0.07 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 1xf3 n PRO 120 Cb 0.55 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.01 5.27 0.36 2.55 1.04 -1.26 -4.95 113.70 116.70 1xf3 s SER 121 Ca 0.60 1.75 0.03 0.00 0.48 0.00 0.00 55.95 58.81 1xf3 s SER 121 Cb -0.57 -2.52 0.66 0.00 0.10 0.00 0.00 66.02 63.70 1xf3 s SER 121 CO 0.57 -1.52 2.01 0.77 0.98 0.00 0.00 173.24 176.06 1xf3 h SER 122 N -0.44 0.69 -0.25 7.02 4.64 -2.00 -2.70 113.55 120.51 1xf3 h SER 122 Ca -0.45 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1xf3 h SER 122 Cb 1.22 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1xf3 h SER 122 CO 0.56 0.50 0.14 -0.33 -0.87 0.00 0.00 176.83 176.83 1xf3 h GLU 123 N 0.81 0.28 -0.60 4.77 3.07 -2.00 -2.65 114.58 118.26 1xf3 h GLU 123 Ca 0.22 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1xf3 h GLU 123 Cb -0.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 1xf3 h GLU 123 CO -0.05 0.18 0.00 0.37 -1.40 0.00 0.00 179.01 178.12 1xf3 h GLN 124 N 0.29 1.05 -0.58 2.33 4.15 -1.83 -2.64 115.11 117.87 1xf3 h GLN 124 Ca 0.10 -0.33 0.09 0.00 0.77 0.00 0.00 58.65 59.28 1xf3 h GLN 124 Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1xf3 h GLN 124 CO -0.05 1.02 0.39 -0.07 -1.93 0.00 0.00 178.83 178.19 1xf3 h LEU 125 N 0.96 0.36 -1.59 -2.39 3.38 -1.17 -1.11 115.31 113.74 1xf3 h LEU 125 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1xf3 h LEU 125 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xf3 h LEU 125 CO 0.03 0.22 0.00 0.71 0.09 0.00 0.00 178.44 179.49 1xf3 h THR 126 N 0.40 0.00 -0.01 0.22 1.35 -1.13 -2.18 112.91 111.56 1xf3 h THR 126 Ca 0.27 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xf3 h THR 126 Cb 0.52 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1xf3 h THR 126 CO -0.07 0.00 -0.30 -1.20 -0.25 0.00 0.00 175.52 173.70 1xf3 n SER 127 N -2.98 0.81 0.00 5.36 7.64 -0.43 -4.96 113.62 119.06 1xf3 n SER 127 Ca 0.00 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1xf3 n SER 127 Cb 0.26 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1xf3 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf3 n GLY 128 N 1.38 0.67 3.85 0.23 0.00 -0.82 -5.06 105.19 105.44 1xf3 n GLY 128 Ca 0.11 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 1.64 -0.28 -0.02 0.00 -1.18 -1.59 107.32 103.85 1xf3 s GLY 129 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1xf3 s GLY 129 CO 0.00 -1.52 0.39 0.00 0.00 0.00 0.00 173.10 171.96 1xf3 s ALA 130 N -2.24 -1.11 -0.14 3.20 0.00 -0.17 -3.59 121.76 117.71 1xf3 s ALA 130 Ca 0.39 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 1xf3 s ALA 130 Cb -0.07 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1xf3 s ALA 130 CO 0.26 -1.60 -0.05 -1.12 0.00 0.00 0.00 175.76 173.26 1xf3 s SER 131 N 2.53 4.74 -0.19 0.00 0.01 -1.26 0.02 113.70 119.55 1xf3 s SER 131 Ca 0.11 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.17 1xf3 s SER 131 Cb -0.13 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1xf3 s SER 131 CO -0.26 0.20 0.06 -0.69 0.41 0.00 0.00 173.24 172.96 1xf3 s VAL 132 N 0.19 4.73 -0.02 3.43 1.01 0.50 -2.93 120.40 127.31 1xf3 s VAL 132 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1xf3 s VAL 132 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1xf3 s VAL 132 CO 0.03 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.78 1xf3 s VAL 133 N 0.44 3.32 -0.09 2.92 1.01 -0.66 -1.30 120.40 126.04 1xf3 s VAL 133 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1xf3 s VAL 133 Cb -0.13 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1xf3 s VAL 133 CO 0.01 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.56 1xf3 s PHE 135 N 1.86 3.57 -0.34 0.00 0.08 -0.38 -1.37 117.98 121.39 1xf3 s PHE 135 Ca 0.05 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.73 1xf3 s PHE 135 Cb -0.12 -2.14 0.10 0.00 -0.57 0.00 0.00 43.02 40.29 1xf3 s PHE 135 CO -0.07 0.53 0.10 -0.51 -0.10 0.00 0.00 175.22 175.18 1xf3 s LEU 136 N -0.48 3.34 0.13 -0.37 1.02 -0.31 -1.61 118.68 120.40 1xf3 s LEU 136 Ca 0.16 -1.99 0.08 0.00 0.02 0.00 0.00 54.13 52.40 1xf3 s LEU 136 Cb -0.13 -1.21 -0.04 0.00 0.02 0.00 0.00 46.19 44.83 1xf3 s LEU 136 CO 0.05 -0.38 -0.11 0.20 0.02 0.00 0.00 176.35 176.14 1xf3 s ASN 137 N 1.14 4.30 -1.29 2.29 0.02 -0.44 -0.12 114.94 120.83 1xf3 s ASN 137 Ca 0.11 -0.46 -0.05 0.00 -1.02 0.00 0.00 52.86 51.45 1xf3 s ASN 137 Cb -0.19 -0.77 -0.00 0.00 0.02 0.00 0.00 41.25 40.30 1xf3 s ASN 137 CO -0.15 0.15 0.64 0.59 0.02 0.00 0.00 177.10 178.35 1xf3 n ASN 138 N 0.51 -1.96 -4.84 -1.22 4.13 -0.72 -1.41 115.26 109.75 1xf3 n ASN 138 Ca -0.13 -0.92 -0.21 0.00 1.68 0.00 0.00 54.58 55.00 1xf3 n ASN 138 Cb 0.53 -3.65 -0.04 0.00 -1.54 0.00 0.00 39.78 35.09 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 -3.71 2.95 -0.28 3.10 -0.71 -0.02 -4.59 117.98 114.72 1xf3 s PHE 139 Ca 0.12 -0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.55 1xf3 s PHE 139 Cb -0.04 -1.68 0.09 0.00 -1.21 0.00 0.00 43.02 40.19 1xf3 s PHE 139 CO 0.84 0.29 0.79 -0.47 -1.34 0.00 0.00 175.22 175.33 1xf3 s TYR 140 N -2.26 -0.80 0.71 3.49 5.04 -0.16 -1.48 117.35 121.89 1xf3 s TYR 140 Ca 0.38 1.77 -0.12 0.00 -2.44 0.00 0.00 57.07 56.66 1xf3 s TYR 140 Cb -0.06 0.42 0.17 0.00 0.35 0.00 0.00 41.96 42.83 1xf3 s TYR 140 CO 0.26 -0.39 0.91 -0.35 -1.34 0.00 0.00 175.55 174.64 1xf3 n PRO 141 N 3.27 -1.14 0.28 4.97 -0.04 -1.26 -1.80 135.00 139.28 1xf3 n PRO 141 Ca -0.16 -1.42 0.15 0.00 -0.04 0.00 0.00 63.50 62.03 1xf3 n PRO 141 Cb 0.57 -0.99 0.81 0.00 -0.04 0.00 0.00 33.50 33.84 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 -6.46 0.54 2.10 -1.98 -3.44 116.57 107.32 1xf3 h LYS 142 Ca -0.30 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.81 1xf3 h LYS 142 Cb 0.84 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1xf3 h LYS 142 CO 0.21 0.08 0.68 -0.51 -2.00 0.00 0.00 179.45 177.91 1xf3 s ASP 143 N -5.92 6.95 -0.18 7.07 1.11 -1.26 -5.00 116.67 119.44 1xf3 s ASP 143 Ca -0.03 2.10 -0.20 0.00 0.18 0.00 0.00 52.55 54.60 1xf3 s ASP 143 Cb 0.12 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.59 1xf3 s ASP 143 CO 0.55 -0.59 0.56 -0.51 1.18 0.00 0.00 175.17 176.36 1xf3 s ILE 144 N 1.49 0.00 -0.15 0.77 2.07 -1.26 -4.73 121.20 119.40 1xf3 s ILE 144 Ca 0.61 -0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1xf3 s ILE 144 Cb -0.31 -0.79 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 1xf3 s ILE 144 CO 0.28 -0.02 -0.11 0.21 -1.91 0.00 0.00 174.94 173.39 1xf3 s ASN 145 N 0.01 4.10 -0.11 4.50 3.04 -0.84 -5.01 114.94 120.63 1xf3 s ASN 145 Ca -0.02 -0.33 0.03 0.00 0.04 0.00 0.00 52.86 52.57 1xf3 s ASN 145 Cb -0.04 -1.64 0.01 0.00 -1.54 0.00 0.00 41.25 38.04 1xf3 s ASN 145 CO 0.02 0.13 -0.19 -0.69 -3.04 0.00 0.00 177.10 173.33 1xf3 s VAL 146 N 0.57 1.78 -0.03 -5.21 1.01 -1.26 -0.96 120.40 116.30 1xf3 s VAL 146 Ca -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1xf3 s VAL 146 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1xf3 s VAL 146 CO 0.03 0.50 -0.20 -0.54 0.00 0.00 0.00 175.10 174.89 1xf3 s LYS 147 N 0.75 1.78 -0.11 2.72 3.01 -0.58 -5.02 119.74 122.28 1xf3 s LYS 147 Ca -0.10 -0.73 -0.06 0.00 -1.01 0.00 0.00 55.97 54.07 1xf3 s LYS 147 Cb -0.16 -1.65 -0.04 0.00 -1.01 0.00 0.00 37.83 34.97 1xf3 s LYS 147 CO 0.01 0.40 0.11 -1.58 0.51 0.00 0.00 175.35 174.80 1xf3 s TRP 148 N -0.35 3.52 -0.06 3.18 0.52 -1.26 -1.72 118.94 122.77 1xf3 s TRP 148 Ca 0.04 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.64 1xf3 s TRP 148 Cb -0.09 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 1xf3 s TRP 148 CO 0.00 0.69 -0.05 0.15 0.02 0.00 0.00 176.95 177.76 1xf3 s LYS 149 N -1.01 0.94 -0.32 4.98 1.02 -0.83 -1.93 119.74 122.57 1xf3 s LYS 149 Ca 0.15 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 1xf3 s LYS 149 Cb -0.12 -0.98 0.03 0.00 -0.52 0.00 0.00 37.83 36.24 1xf3 s LYS 149 CO 0.04 -0.12 0.08 0.42 -0.92 0.00 0.00 175.35 174.85 1xf3 s ILE 150 N 1.14 3.72 -1.51 2.17 1.01 -0.77 -1.59 121.20 125.38 1xf3 s ILE 150 Ca -0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 1xf3 s ILE 150 Cb -0.14 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1xf3 s ILE 150 CO -0.01 -0.10 0.70 0.47 0.00 0.00 0.00 174.94 176.01 1xf3 n ASP 151 N 4.80 -5.92 0.00 3.58 10.43 -0.80 -2.53 116.55 126.11 1xf3 n ASP 151 Ca -0.13 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 56.87 1xf3 n ASP 151 Cb 0.45 -4.77 0.00 0.00 1.84 0.00 0.00 41.12 38.65 1xf3 n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xf3 n GLY 152 N -1.58 0.91 3.55 0.44 0.00 -1.26 -5.03 105.19 102.21 1xf3 n GLY 152 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1xf3 n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf3 s SER 153 N -2.90 5.09 0.68 1.61 0.15 -1.05 -5.01 113.70 112.27 1xf3 s SER 153 Ca 0.00 -0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 1xf3 s SER 153 Cb 0.00 -1.83 0.01 0.00 -1.71 0.00 0.00 66.02 62.49 1xf3 s SER 153 CO 0.00 0.18 1.23 1.21 1.20 0.00 0.00 173.24 177.06 1xf3 n GLU 154 N 3.48 0.87 -3.63 5.44 4.07 -1.26 -1.84 120.64 127.76 1xf3 n GLU 154 Ca -0.17 0.36 -0.12 0.00 -0.06 0.00 0.00 57.16 57.16 1xf3 n GLU 154 Cb 0.52 -2.46 -0.12 0.00 -0.06 0.00 0.00 31.44 29.32 1xf3 n GLU 154 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1xf3 s ARG 155 N -3.47 0.21 -0.16 5.31 6.06 -0.81 -4.86 118.95 121.23 1xf3 s ARG 155 Ca 0.80 0.78 0.00 0.00 -2.50 0.00 0.00 55.73 54.81 1xf3 s ARG 155 Cb -0.36 -0.04 -0.10 0.00 0.06 0.00 0.00 34.95 34.50 1xf3 s ARG 155 CO 0.43 -0.33 -0.15 1.04 -2.50 0.00 0.00 175.30 173.80 1xf3 n GLN 156 N 5.36 0.40 -1.73 5.12 6.02 -1.26 -4.39 117.38 126.91 1xf3 n GLN 156 Ca -0.07 0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 1xf3 n GLN 156 Cb 0.50 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.43 1xf3 n GLN 156 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xf3 n ASN 157 N -3.06 3.56 0.00 1.08 3.02 -1.26 -2.83 115.26 115.76 1xf3 n ASN 157 Ca -0.30 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.41 1xf3 n ASN 157 Cb 0.80 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1xf3 n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xf3 n GLY 158 N 2.02 0.75 3.77 7.41 0.00 -1.26 -4.84 105.19 113.04 1xf3 n GLY 158 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.75 4.84 -0.15 1.61 1.01 -1.13 -1.44 120.40 122.39 1xf3 s VAL 159 Ca 0.00 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 1xf3 s VAL 159 Cb 0.00 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1xf3 s VAL 159 CO 0.00 0.43 0.03 -0.22 0.00 0.00 0.00 175.10 175.35 1xf3 s LEU 160 N -0.34 0.85 0.19 3.92 0.20 0.30 -4.97 118.68 118.83 1xf3 s LEU 160 Ca 0.32 -0.54 0.07 0.00 0.69 0.00 0.00 54.13 54.66 1xf3 s LEU 160 Cb -0.19 -0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 45.05 1xf3 s LEU 160 CO 0.18 -0.28 0.08 0.20 -0.29 0.00 0.00 176.35 176.25 1xf3 s ASN 161 N 1.94 5.12 -0.18 3.68 0.02 -1.26 -1.23 114.94 123.03 1xf3 s ASN 161 Ca 0.01 -0.31 -0.18 0.00 -1.02 0.00 0.00 52.86 51.37 1xf3 s ASN 161 Cb -0.15 -1.21 0.05 0.00 0.02 0.00 0.00 41.25 39.96 1xf3 s ASN 161 CO -0.07 0.05 0.51 -0.55 0.02 0.00 0.00 177.10 177.06 1xf3 s SER 162 N -3.22 -0.53 0.09 -1.22 0.15 -0.61 -5.01 113.70 103.35 1xf3 s SER 162 Ca 0.30 0.99 0.06 0.00 0.70 0.00 0.00 55.95 58.00 1xf3 s SER 162 Cb -0.09 1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1xf3 s SER 162 CO 0.21 -0.20 -0.15 0.26 1.20 0.00 0.00 173.24 174.56 1xf3 s TRP 163 N 0.17 1.37 0.20 3.44 0.51 -1.26 -1.01 118.94 122.36 1xf3 s TRP 163 Ca -0.01 -0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 53.46 1xf3 s TRP 163 Cb -0.04 -0.75 -0.05 0.00 -0.81 0.00 0.00 33.47 31.83 1xf3 s TRP 163 CO 0.01 0.11 0.43 0.95 -0.51 0.00 0.00 176.95 177.94 1xf3 s THR 164 N -1.51 5.14 0.87 2.01 -4.23 -0.67 -5.02 115.64 112.24 1xf3 s THR 164 Ca 0.03 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 1xf3 s THR 164 Cb -0.08 -3.70 0.13 0.00 1.34 0.00 0.00 72.50 70.19 1xf3 s THR 164 CO 0.03 -0.14 1.23 -0.62 -0.54 0.00 0.00 174.62 174.58 1xf3 s ASP 165 N -2.91 3.93 -0.14 3.99 3.68 -1.26 -4.26 116.67 119.70 1xf3 s ASP 165 Ca 0.41 0.59 -0.38 0.00 2.13 0.00 0.00 52.55 55.29 1xf3 s ASP 165 Cb -0.11 -0.91 -0.16 0.00 -1.45 0.00 0.00 42.92 40.29 1xf3 s ASP 165 CO 0.28 -2.25 1.63 1.67 0.13 0.00 0.00 175.17 176.63 1xf3 n GLN 166 N -3.51 1.26 -2.31 4.34 7.27 -1.26 -4.74 117.38 118.43 1xf3 n GLN 166 Ca 0.11 0.46 -0.41 0.00 0.07 0.00 0.00 57.00 57.23 1xf3 n GLN 166 Cb 0.60 -2.15 -0.03 0.00 2.41 0.00 0.00 30.24 31.07 1xf3 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xf3 s ASP 167 N 2.60 7.03 0.45 1.69 -1.08 -0.09 -4.92 116.67 122.35 1xf3 s ASP 167 Ca 0.93 2.40 0.22 0.00 -0.52 0.00 0.00 52.55 55.59 1xf3 s ASP 167 Cb -0.99 -2.63 1.05 0.00 -1.46 0.00 0.00 42.92 38.88 1xf3 s ASP 167 CO 0.58 -0.36 1.91 0.77 0.52 0.00 0.00 175.17 178.59 1xf3 h SER 168 N 4.22 0.00 0.00 -0.34 4.64 -1.91 -1.96 113.55 118.20 1xf3 h SER 168 Ca -0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 1xf3 h SER 168 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1xf3 h SER 168 CO 0.70 0.24 -0.98 0.29 -0.87 0.00 0.00 176.83 176.21 1xf3 n LYS 169 N -3.66 0.51 -0.03 4.77 4.01 -1.26 -4.70 118.16 117.79 1xf3 n LYS 169 Ca -0.01 0.50 0.08 0.00 -0.51 0.00 0.00 58.31 58.36 1xf3 n LYS 169 Cb 0.36 -1.68 0.08 0.00 -0.51 0.00 0.00 35.03 33.29 1xf3 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1xf3 n ASP 170 N -4.51 2.40 -1.64 4.39 5.68 -1.25 -5.00 116.55 116.62 1xf3 n ASP 170 Ca -0.20 -1.68 -0.20 0.00 -0.50 0.00 0.00 54.79 52.20 1xf3 n ASP 170 Cb 0.48 -0.04 -0.08 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.87 -5.49 -5.00 -1.12 7.64 -0.73 -4.96 113.62 104.82 1xf3 n SER 171 Ca 0.10 0.45 -0.18 0.00 1.01 0.00 0.00 58.87 60.25 1xf3 n SER 171 Cb 0.40 -4.75 0.03 0.00 -1.01 0.00 0.00 64.21 58.87 1xf3 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xf3 s THR 172 N -2.78 2.72 0.23 0.44 -4.23 -1.26 -4.64 115.64 106.12 1xf3 s THR 172 Ca 0.00 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1xf3 s THR 172 Cb 0.00 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1xf3 s THR 172 CO 0.00 0.00 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.72 1xf3 s TYR 173 N -2.49 2.66 0.04 3.99 2.02 -0.55 -0.91 117.35 122.10 1xf3 s TYR 173 Ca 0.57 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.03 1xf3 s TYR 173 Cb -0.09 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1xf3 s TYR 173 CO 0.35 0.58 0.01 -1.12 -1.57 0.00 0.00 175.55 173.81 1xf3 s SER 174 N -3.32 0.31 0.03 2.29 0.01 -1.26 -0.84 113.70 110.92 1xf3 s SER 174 Ca 0.29 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1xf3 s SER 174 Cb -0.07 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 1xf3 s SER 174 CO 0.18 -0.48 -0.06 -0.32 0.41 0.00 0.00 173.24 172.97 1xf3 s MET 175 N -2.73 0.44 -0.03 12.44 1.75 0.83 -1.66 119.30 130.33 1xf3 s MET 175 Ca -0.04 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.81 1xf3 s MET 175 Cb -0.01 -0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.49 1xf3 s MET 175 CO -0.05 0.02 -0.20 0.45 -0.65 0.00 0.00 175.02 174.58 1xf3 s SER 176 N -1.40 2.44 -0.05 1.11 0.15 -0.18 -1.17 113.70 114.60 1xf3 s SER 176 Ca -0.11 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 1xf3 s SER 176 Cb -0.09 -0.40 0.03 0.00 -1.71 0.00 0.00 66.02 63.84 1xf3 s SER 176 CO -0.00 0.23 -0.00 -0.55 1.20 0.00 0.00 173.24 174.12 1xf3 s SER 177 N -0.34 1.09 -0.17 5.45 0.15 -0.47 -1.58 113.70 117.82 1xf3 s SER 177 Ca 0.04 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1xf3 s SER 177 Cb -0.09 -0.35 0.03 0.00 -1.71 0.00 0.00 66.02 63.90 1xf3 s SER 177 CO 0.00 -0.15 -0.11 -0.89 1.20 0.00 0.00 173.24 173.29 1xf3 s THR 178 N 1.51 1.54 -0.29 6.45 2.01 -0.37 -0.84 115.64 125.67 1xf3 s THR 178 Ca -0.02 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 1xf3 s THR 178 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1xf3 s THR 178 CO -0.03 0.30 0.40 -0.22 -0.69 0.00 0.00 174.62 174.37 1xf3 s LEU 179 N 1.47 4.12 -0.22 4.42 2.96 -0.42 -0.54 118.68 130.46 1xf3 s LEU 179 Ca 0.02 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1xf3 s LEU 179 Cb -0.15 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.10 1xf3 s LEU 179 CO -0.09 -0.24 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.74 1xf3 s THR 180 N 2.11 3.04 0.38 3.68 2.01 -0.52 -0.37 115.64 125.97 1xf3 s THR 180 Ca 0.15 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.53 1xf3 s THR 180 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1xf3 s THR 180 CO 0.10 0.38 0.19 -0.76 -0.69 0.00 0.00 174.62 173.85 1xf3 s LEU 181 N 1.41 3.22 0.89 4.42 1.43 0.10 -4.69 118.68 125.46 1xf3 s LEU 181 Ca 0.04 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1xf3 s LEU 181 Cb -0.15 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.53 1xf3 s LEU 181 CO -0.05 -0.44 1.09 0.42 0.23 0.00 0.00 176.35 177.60 1xf3 s THR 182 N -2.50 2.69 0.13 5.49 -4.23 -1.26 -1.00 115.64 114.96 1xf3 s THR 182 Ca 0.40 0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1xf3 s THR 182 Cb -0.00 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1xf3 s THR 182 CO 0.23 -0.29 1.63 0.50 -0.54 0.00 0.00 174.62 176.15 1xf3 h LYS 183 N -1.51 0.66 -0.99 3.99 3.64 -1.54 -2.62 116.57 118.21 1xf3 h LYS 183 Ca -0.49 -0.16 0.13 0.00 -1.27 0.00 0.00 60.65 58.86 1xf3 h LYS 183 Cb 1.28 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1xf3 h LYS 183 CO 0.55 0.69 0.62 -0.44 -2.27 0.00 0.00 179.45 178.60 1xf3 h ASP 184 N 0.53 0.87 0.82 4.20 3.45 -1.94 -1.77 116.42 122.58 1xf3 h ASP 184 Ca 0.13 0.05 -0.24 0.00 0.43 0.00 0.00 57.03 57.40 1xf3 h ASP 184 Cb 0.33 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1xf3 h ASP 184 CO 0.00 0.44 -1.13 -0.33 -1.57 0.00 0.00 179.24 176.65 1xf3 h GLU 185 N 0.92 0.12 -0.26 3.56 5.08 -1.92 -3.11 114.58 118.97 1xf3 h GLU 185 Ca 0.50 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1xf3 h GLU 185 Cb 0.58 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1xf3 h GLU 185 CO -0.27 1.09 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.89 1xf3 h TYR 186 N 0.03 0.40 0.00 4.33 3.20 -1.08 -2.82 116.97 121.03 1xf3 h TYR 186 Ca -0.07 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1xf3 h TYR 186 Cb 1.87 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.02 1xf3 h TYR 186 CO 0.03 0.42 0.00 0.39 -1.64 0.00 0.00 178.16 177.36 1xf3 n GLU 187 N -4.31 0.08 0.08 1.82 -0.58 -0.70 -3.25 120.64 113.77 1xf3 n GLU 187 Ca 0.01 0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.86 1xf3 n GLU 187 Cb 0.22 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 1xf3 n GLU 187 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xf3 h ARG 188 N 0.00 0.00 -5.92 3.49 3.08 -1.47 -3.48 114.38 110.09 1xf3 h ARG 188 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1xf3 h ARG 188 Cb 0.48 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 1xf3 h ARG 188 CO 0.00 0.89 -0.67 -1.01 -1.07 0.00 0.00 179.97 178.11 1xf3 s HIS 189 N -2.79 2.42 -0.02 3.04 3.76 -1.20 -5.10 115.29 115.40 1xf3 s HIS 189 Ca 0.02 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.35 1xf3 s HIS 189 Cb 0.10 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 1xf3 s HIS 189 CO 0.80 0.57 -0.11 -1.71 -0.85 0.00 0.00 174.74 173.44 1xf3 n ASN 190 N -0.81 1.09 -4.73 1.40 4.05 -1.26 -4.88 115.26 110.12 1xf3 n ASN 190 Ca -0.05 0.16 -0.39 0.00 0.45 0.00 0.00 54.58 54.76 1xf3 n ASN 190 Cb 0.64 -0.44 -0.05 0.00 1.23 0.00 0.00 39.78 41.15 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 -5.59 6.85 -0.13 1.20 1.04 -1.26 -1.61 113.70 114.20 1xf3 s SER 191 Ca -0.09 1.02 -0.00 0.00 0.48 0.00 0.00 55.95 57.36 1xf3 s SER 191 Cb 0.01 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1xf3 s SER 191 CO 0.14 -0.03 -0.11 -0.31 0.98 0.00 0.00 173.24 173.91 1xf3 s TYR 192 N 0.56 1.84 0.02 5.02 2.02 -1.08 -1.90 117.35 123.83 1xf3 s TYR 192 Ca 0.31 -1.00 0.07 0.00 -0.37 0.00 0.00 57.07 56.08 1xf3 s TYR 192 Cb -0.17 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1xf3 s TYR 192 CO 0.15 -0.60 -0.19 0.95 -1.57 0.00 0.00 175.55 174.29 1xf3 s THR 193 N 1.59 1.54 -0.37 -0.71 -4.23 -0.62 -2.45 115.64 110.40 1xf3 s THR 193 Ca 0.05 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1xf3 s THR 193 Cb -0.13 -1.33 0.09 0.00 1.34 0.00 0.00 72.50 72.48 1xf3 s THR 193 CO -0.09 0.26 0.13 0.00 -0.54 0.00 0.00 174.62 174.37 1xf3 s GLU 195 N 1.12 4.20 -0.22 0.00 8.01 -0.70 -2.93 118.70 128.19 1xf3 s GLU 195 Ca 0.05 0.27 0.01 0.00 0.01 0.00 0.00 54.97 55.31 1xf3 s GLU 195 Cb -0.21 -3.53 0.03 0.00 -4.31 0.00 0.00 34.13 26.11 1xf3 s GLU 195 CO -0.04 -0.03 -0.15 0.00 0.01 0.00 0.00 175.26 175.05 1xf3 s ALA 196 N 1.27 2.46 -0.23 5.21 0.00 -0.85 -1.53 121.76 128.09 1xf3 s ALA 196 Ca 0.21 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1xf3 s ALA 196 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1xf3 s ALA 196 CO 0.08 -0.70 0.28 0.99 0.00 0.00 0.00 175.76 176.42 1xf3 s THR 197 N 1.23 5.27 0.04 0.00 2.01 -0.14 -1.32 115.64 122.74 1xf3 s THR 197 Ca -0.00 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 1xf3 s THR 197 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1xf3 s THR 197 CO -0.09 0.27 0.09 -2.28 -0.69 0.00 0.00 174.62 171.92 1xf3 s HIS 198 N 1.37 0.22 -0.99 4.92 5.04 -1.26 -1.99 115.29 122.59 1xf3 s HIS 198 Ca 0.13 -0.53 0.17 0.00 -1.54 0.00 0.00 55.06 53.29 1xf3 s HIS 198 Cb -0.14 -0.15 0.73 0.00 0.04 0.00 0.00 32.58 33.05 1xf3 s HIS 198 CO 0.07 -0.37 1.54 0.36 -2.34 0.00 0.00 174.74 174.01 1xf3 n LYS 199 N 0.73 0.00 0.00 2.88 2.85 -1.26 -2.85 118.16 120.52 1xf3 n LYS 199 Ca -0.19 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.41 1xf3 n LYS 199 Cb 0.59 -1.51 0.73 0.00 -0.65 0.00 0.00 35.03 34.19 1xf3 n LYS 199 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1xf3 n THR 200 N -1.52 0.00 -3.64 0.58 -2.24 -1.26 -4.78 114.28 101.42 1xf3 n THR 200 Ca 0.04 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1xf3 n THR 200 Cb 0.20 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 1xf3 n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xf3 s SER 201 N -1.87 -0.30 0.03 3.42 1.04 -1.13 -4.94 113.70 109.95 1xf3 s SER 201 Ca 0.37 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.48 1xf3 s SER 201 Cb 0.17 0.45 -0.17 0.00 0.10 0.00 0.00 66.02 66.57 1xf3 s SER 201 CO 0.29 -0.71 1.31 0.74 0.98 0.00 0.00 173.24 175.85 1xf3 h THR 202 N 2.84 0.29 -3.47 2.02 2.02 -1.86 -3.43 112.91 111.31 1xf3 h THR 202 Ca -0.32 -0.28 -0.53 0.00 0.77 0.00 0.00 66.41 66.05 1xf3 h THR 202 Cb 1.22 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1xf3 h THR 202 CO 0.44 0.03 0.06 -0.44 0.37 0.00 0.00 175.52 175.98 1xf3 s SER 203 N -4.58 7.06 0.44 4.18 0.01 -1.26 -4.99 113.70 114.56 1xf3 s SER 203 Ca -0.15 1.36 -0.24 0.00 1.31 0.00 0.00 55.95 58.23 1xf3 s SER 203 Cb 0.02 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1xf3 s SER 203 CO 0.52 0.10 1.15 -2.65 0.41 0.00 0.00 173.24 172.77 1xf3 n PRO 204 N 0.97 1.60 -2.44 12.44 -0.02 -1.26 -4.91 135.00 141.38 1xf3 n PRO 204 Ca -0.04 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1xf3 n PRO 204 Cb 0.51 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1xf3 n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xf3 s ILE 205 N -1.26 4.09 -0.23 4.25 1.01 -0.43 -4.86 121.20 123.76 1xf3 s ILE 205 Ca 0.64 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 62.37 1xf3 s ILE 205 Cb -0.51 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 1xf3 s ILE 205 CO 0.56 -0.68 0.10 -0.69 0.00 0.00 0.00 174.94 174.23 1xf3 s VAL 206 N 4.73 4.76 -0.09 2.92 1.01 -1.26 -2.00 120.40 130.48 1xf3 s VAL 206 Ca 0.56 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1xf3 s VAL 206 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1xf3 s VAL 206 CO 0.28 0.36 -0.22 -0.54 0.00 0.00 0.00 175.10 174.97 1xf3 s LYS 207 N 1.22 2.71 0.26 2.72 -0.14 -1.15 -5.02 119.74 120.33 1xf3 s LYS 207 Ca 0.05 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1xf3 s LYS 207 Cb -0.14 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1xf3 s LYS 207 CO 0.04 0.19 0.12 -1.12 -0.76 0.00 0.00 175.35 173.82 1xf3 s SER 208 N 0.30 1.06 -0.16 2.83 0.01 -1.26 -1.75 113.70 114.73 1xf3 s SER 208 Ca -0.15 -1.43 -0.11 0.00 1.31 0.00 0.00 55.95 55.58 1xf3 s SER 208 Cb -0.17 0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.37 1xf3 s SER 208 CO 0.07 -0.79 0.40 0.72 0.41 0.00 0.00 173.24 174.05 1xf3 s PHE 209 N -3.80 -0.54 0.17 2.43 -0.12 -1.02 -4.98 117.98 110.11 1xf3 s PHE 209 Ca 0.38 1.20 -0.30 0.00 -0.05 0.00 0.00 56.93 58.16 1xf3 s PHE 209 Cb 0.07 0.22 -0.07 0.00 -0.63 0.00 0.00 43.02 42.61 1xf3 s PHE 209 CO 0.14 -0.30 0.96 0.54 -0.05 0.00 0.00 175.22 176.51 1xf3 s ASN 210 N 1.01 7.56 0.00 1.98 4.22 -1.26 -2.65 114.94 125.80 1xf3 s ASN 210 Ca -0.06 1.88 0.29 0.00 -2.14 0.00 0.00 52.86 52.82 1xf3 s ASN 210 Cb -0.07 -2.60 1.59 0.00 1.28 0.00 0.00 41.25 41.45 1xf3 s ASN 210 CO -0.08 0.03 2.03 -1.14 -2.04 0.00 0.00 177.10 175.89 1xf3 n ARG 211 N 2.18 0.66 -1.27 3.55 0.63 -0.64 -3.94 116.66 117.84 1xf3 n ARG 211 Ca 0.00 0.01 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1xf3 n ARG 211 Cb 0.48 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.91 1xf3 n ARG 211 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1xf3 n ASN 212 N -1.14 6.85 0.00 6.15 4.05 -1.26 -5.08 115.26 124.83 1xf3 n ASN 212 Ca 0.18 -3.34 0.00 0.00 0.45 0.00 0.00 54.58 51.86 1xf3 n ASN 212 Cb 0.16 -1.09 0.00 0.00 1.23 0.00 0.00 39.78 40.08 1xf3 n ASN 212 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59