#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0f h PRO 2 N 0.00 0.51 -0.10 1.61 0.13 -2.06 -0.02 132.00 132.06 2b0f h PRO 2 Ca 0.00 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 2b0f h PRO 2 Cb 0.00 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.01 2b0f h PRO 2 CO 0.00 0.34 -0.16 -0.97 -0.23 0.00 0.00 178.00 176.98 2b0f h ASN 3 N 0.53 0.32 -0.22 1.44 -1.24 -1.99 -2.97 115.58 111.44 2b0f h ASN 3 Ca 0.16 -0.53 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 2b0f h ASN 3 Cb 0.00 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2b0f h ASN 3 CO -0.04 0.79 0.05 0.74 -1.29 0.00 0.00 177.43 177.68 2b0f h THR 4 N -0.14 1.16 -0.28 -3.57 2.02 -1.90 -2.62 112.91 107.58 2b0f h THR 4 Ca 0.01 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2b0f h THR 4 Cb 0.72 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2b0f h THR 4 CO 0.04 0.20 0.16 -0.33 0.37 0.00 0.00 175.52 175.96 2b0f h GLU 5 N 0.44 0.38 -0.49 6.66 5.08 -0.93 0.13 114.58 125.85 2b0f h GLU 5 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2b0f h GLU 5 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2b0f h GLU 5 CO -0.00 0.31 0.25 0.35 -1.00 0.00 0.00 179.01 178.92 2b0f h PHE 6 N 0.35 0.70 -0.36 4.33 3.57 -1.35 0.20 116.94 124.38 2b0f h PHE 6 Ca 0.10 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2b0f h PHE 6 Cb 0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2b0f h PHE 6 CO -0.04 0.54 0.21 0.00 -2.23 0.00 0.00 178.31 176.79 2b0f h ALA 7 N 1.09 0.45 -0.71 2.41 0.00 -1.22 0.21 119.26 121.50 2b0f h ALA 7 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2b0f h ALA 7 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2b0f h ALA 7 CO -0.02 -0.13 0.16 1.25 0.00 0.00 0.00 179.25 180.51 2b0f h LEU 8 N 0.43 1.08 -0.10 0.00 6.46 -0.46 -0.56 115.31 122.17 2b0f h LEU 8 Ca 0.14 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2b0f h LEU 8 Cb -0.00 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 39.64 2b0f h LEU 8 CO -0.06 1.04 -0.03 0.28 -0.62 0.00 0.00 178.44 179.05 2b0f h SER 9 N 1.08 0.20 -0.97 1.25 0.02 -0.21 -2.40 113.55 112.51 2b0f h SER 9 Ca 0.22 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2b0f h SER 9 Cb 0.39 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2b0f h SER 9 CO 0.00 0.53 0.63 0.25 -1.14 0.00 0.00 176.83 177.11 2b0f h LEU 10 N -0.14 1.13 -0.27 5.07 5.85 -0.53 -2.07 115.31 124.35 2b0f h LEU 10 Ca 0.02 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2b0f h LEU 10 Cb 0.45 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2b0f h LEU 10 CO 0.01 0.82 -0.05 0.25 -0.34 0.00 0.00 178.44 179.13 2b0f h LEU 11 N 1.32 -0.22 -0.78 2.25 5.85 -0.97 0.12 115.31 122.88 2b0f h LEU 11 Ca 0.35 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.03 2b0f h LEU 11 Cb -0.14 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2b0f h LEU 11 CO -0.07 -0.08 -0.59 0.03 -0.34 0.00 0.00 178.44 177.39 2b0f h ARG 12 N 0.01 0.00 0.01 1.25 3.08 -1.17 -2.85 114.38 114.72 2b0f h ARG 12 Ca 0.13 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.91 2b0f h ARG 12 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2b0f h ARG 12 CO -0.26 0.59 -1.49 1.63 -1.07 0.00 0.00 179.97 179.37 2b0f n LYS 13 N -3.78 0.59 -0.00 0.04 5.02 -0.80 -4.70 118.16 114.53 2b0f n LYS 13 Ca -0.01 0.51 0.01 0.00 -2.02 0.00 0.00 58.31 56.80 2b0f n LYS 13 Cb 0.60 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2b0f n LYS 13 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b0f n ASN 14 N -4.31 1.16 -4.48 4.39 4.13 0.37 -4.77 115.26 111.75 2b0f n ASN 14 Ca -0.35 -1.08 -0.36 0.00 1.68 0.00 0.00 54.58 54.47 2b0f n ASN 14 Cb 0.74 -0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.86 2b0f n ASN 14 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2b0f s ILE 15 N -0.16 4.28 0.20 2.41 1.01 -1.08 0.67 121.20 128.54 2b0f s ILE 15 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2b0f s ILE 15 Cb 0.02 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2b0f s ILE 15 CO 0.02 0.38 0.02 -0.04 0.00 0.00 0.00 174.94 175.32 2b0f s MET 16 N 1.23 1.21 -0.39 2.79 -1.94 -0.50 -4.60 119.30 117.11 2b0f s MET 16 Ca 0.04 -1.60 -0.29 0.00 -1.71 0.00 0.00 55.69 52.13 2b0f s MET 16 Cb -0.15 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.37 2b0f s MET 16 CO 0.03 -0.15 1.30 0.99 -0.01 0.00 0.00 175.02 177.17 2b0f s THR 17 N -3.62 4.08 -0.37 2.05 2.01 -1.26 -0.33 115.64 118.19 2b0f s THR 17 Ca 0.27 1.14 -0.11 0.00 0.31 0.00 0.00 61.69 63.31 2b0f s THR 17 Cb 0.06 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 68.30 2b0f s THR 17 CO 0.07 -0.73 0.20 -0.63 -0.69 0.00 0.00 174.62 172.84 2b0f s ILE 18 N 4.80 4.56 -0.40 1.82 -1.09 -0.57 0.99 121.20 131.32 2b0f s ILE 18 Ca 0.56 -0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 57.89 2b0f s ILE 18 Cb -0.13 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 2b0f s ILE 18 CO 0.29 -0.23 0.80 -0.89 -1.23 0.00 0.00 174.94 173.69 2b0f s THR 19 N 1.55 4.68 0.10 2.92 2.01 0.63 0.12 115.64 127.65 2b0f s THR 19 Ca 0.02 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2b0f s THR 19 Cb -0.19 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.05 2b0f s THR 19 CO 0.07 -0.55 0.01 0.41 -0.69 0.00 0.00 174.62 173.86 2b0f n THR 20 N 5.95 0.00 -0.25 -0.82 -1.04 1.00 -2.88 114.28 116.24 2b0f n THR 20 Ca 0.03 -0.48 0.10 0.00 -2.04 0.00 0.00 64.05 61.66 2b0f n THR 20 Cb 0.48 0.11 0.36 0.00 -1.82 0.00 0.00 70.33 69.46 2b0f n THR 20 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2b0f h SER 21 N 0.26 0.68 -0.03 8.00 0.02 -1.65 -1.56 113.55 119.28 2b0f h SER 21 Ca -0.08 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2b0f h SER 21 Cb 0.26 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2b0f h SER 21 CO 0.13 0.38 0.00 1.17 -1.14 0.00 0.00 176.83 177.37 2b0f n LYS 22 N -4.53 1.74 0.00 3.45 4.81 -1.24 -5.05 118.16 117.35 2b0f n LYS 22 Ca 0.15 -1.08 0.00 0.00 -0.87 0.00 0.00 58.31 56.51 2b0f n LYS 22 Cb 0.38 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.96 2b0f n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b0f n GLY 23 N 1.19 0.71 3.65 3.14 0.00 -0.59 -5.03 105.19 108.27 2b0f n GLY 23 Ca 0.18 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 2b0f n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b0f s GLU 24 N -0.78 4.18 0.52 1.61 2.02 -1.26 -0.00 118.70 124.99 2b0f s GLU 24 Ca 0.00 0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.58 2b0f s GLU 24 Cb 0.00 -3.59 0.01 0.00 0.10 0.00 0.00 34.13 30.65 2b0f s GLU 24 CO 0.00 -0.26 0.25 -0.06 0.02 0.00 0.00 175.26 175.22 2b0f s PHE 25 N 1.97 1.81 -0.49 1.61 0.40 0.12 -2.15 117.98 121.25 2b0f s PHE 25 Ca 0.27 -0.85 -0.21 0.00 -0.60 0.00 0.00 56.93 55.54 2b0f s PHE 25 Cb -0.16 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.59 2b0f s PHE 25 CO 0.10 -0.18 0.69 0.99 0.70 0.00 0.00 175.22 177.51 2b0f s THR 26 N -2.79 4.77 -0.40 0.64 2.01 -1.11 -1.51 115.64 117.26 2b0f s THR 26 Ca 0.26 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 2b0f s THR 26 Cb -0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2b0f s THR 26 CO 0.15 -0.79 0.56 -0.83 -0.69 0.00 0.00 174.62 173.03 2b0f s GLY 27 N 2.47 1.79 -0.52 4.40 0.00 0.56 -4.80 107.32 111.20 2b0f s GLY 27 Ca 0.21 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 2b0f s GLY 27 CO 0.16 1.37 0.60 -2.27 0.00 0.00 0.00 173.10 172.95 2b0f s LEU 28 N 2.54 5.23 0.01 0.66 2.96 -1.10 -1.41 118.68 127.57 2b0f s LEU 28 Ca 0.19 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.66 2b0f s LEU 28 Cb -0.15 -2.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 2b0f s LEU 28 CO 0.16 -0.90 1.40 -0.83 -1.32 0.00 0.00 176.35 174.85 2b0f s GLY 29 N 2.94 1.88 -0.18 7.98 0.00 0.21 -0.77 107.32 119.37 2b0f s GLY 29 Ca 0.12 0.90 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 2b0f s GLY 29 CO 0.09 2.49 0.27 -2.22 0.00 0.00 0.00 173.10 173.73 2b0f h ILE 30 N 4.87 0.81 -1.41 0.90 1.08 -0.45 -3.45 117.51 119.87 2b0f h ILE 30 Ca -0.38 -2.23 0.13 0.00 -0.39 0.00 0.00 64.86 61.98 2b0f h ILE 30 Cb 1.18 2.31 -0.24 0.00 -3.07 0.00 0.00 36.82 37.00 2b0f h ILE 30 CO 0.90 0.51 0.67 -1.38 -0.69 0.00 0.00 178.15 178.15 2b0f s HIS 31 N -2.43 -0.27 0.00 1.37 -3.43 -1.15 -1.41 115.29 107.98 2b0f s HIS 31 Ca -0.27 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 2b0f s HIS 31 Cb 0.06 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 2b0f s HIS 31 CO 0.65 -0.25 0.00 -3.47 -2.00 0.00 0.00 174.74 169.67 2b0f n ASP 32 N 0.68 0.00 -0.17 7.38 2.03 -0.59 0.31 116.55 126.20 2b0f n ASP 32 Ca -0.07 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.30 2b0f n ASP 32 Cb 0.58 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 41.07 2b0f n ASP 32 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2b0f n ARG 33 N 0.00 1.07 -3.81 -0.67 1.85 -1.26 -0.50 116.66 113.34 2b0f n ARG 33 Ca 0.00 -2.04 -0.36 0.00 -1.00 0.00 0.00 57.85 54.44 2b0f n ARG 33 Cb 0.00 -1.19 -0.12 0.00 -1.05 0.00 0.00 32.46 30.11 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2b0f s VAL 34 N -1.94 4.60 0.00 8.89 1.01 0.15 -0.61 120.40 132.50 2b0f s VAL 34 Ca 0.21 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2b0f s VAL 34 Cb 0.18 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 2b0f s VAL 34 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.34 2b0f s VAL 36 N -0.48 5.34 -0.02 0.00 1.01 0.05 0.10 120.40 126.40 2b0f s VAL 36 Ca 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2b0f s VAL 36 Cb -0.06 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2b0f s VAL 36 CO 0.00 0.51 0.04 -0.51 0.00 0.00 0.00 175.10 175.15 2b0f s ILE 37 N -0.36 -0.01 0.64 2.22 1.10 -0.63 -2.71 121.20 121.44 2b0f s ILE 37 Ca 0.16 0.05 -0.17 0.00 -0.51 0.00 0.00 60.65 60.17 2b0f s ILE 37 Cb -0.13 -0.08 -0.06 0.00 0.15 0.00 0.00 42.46 42.34 2b0f s ILE 37 CO 0.05 0.02 0.56 -2.65 -2.11 0.00 0.00 174.94 170.81 2b0f n PRO 38 N 3.31 0.46 0.09 3.50 -0.02 -1.26 -1.00 135.00 140.08 2b0f n PRO 38 Ca -0.16 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2b0f n PRO 38 Cb 0.58 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 2b0f n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2b0f h THR 39 N 0.01 1.48 0.00 3.45 2.02 -1.80 -3.14 112.91 114.92 2b0f h THR 39 Ca -0.46 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 63.88 2b0f h THR 39 Cb 1.38 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.52 2b0f h THR 39 CO 0.45 0.83 0.00 0.00 0.37 0.00 0.00 175.52 177.18 2b0f n HIS 40 N -3.61 0.00 0.17 3.16 1.44 -1.26 -2.14 115.22 112.98 2b0f n HIS 40 Ca -0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.69 2b0f n HIS 40 Cb 0.94 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.21 2b0f n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b0f h ALA 41 N 2.84 0.80 -5.59 1.59 0.00 -1.91 -3.44 119.26 113.55 2b0f h ALA 41 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2b0f h ALA 41 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b0f h ALA 41 CO 0.00 0.50 -0.18 1.04 0.00 0.00 0.00 179.25 180.61 2b0f n GLN 42 N -3.29 -1.37 -2.56 0.00 6.02 -0.91 -2.44 117.38 112.83 2b0f n GLN 42 Ca 0.01 1.39 -0.33 0.00 -0.01 0.00 0.00 57.00 58.07 2b0f n GLN 42 Cb 0.63 -5.22 -0.05 0.00 1.02 0.00 0.00 30.24 26.63 2b0f n GLN 42 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2b0f s PRO 43 N -3.30 4.00 0.00 -1.09 0.02 -1.26 -4.20 135.00 129.17 2b0f s PRO 43 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.12 2b0f s PRO 43 Cb -0.00 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2b0f s PRO 43 CO 0.77 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 177.62 2b0f n GLY 44 N -0.99 2.32 0.08 0.52 0.00 -1.26 -4.99 105.19 100.87 2b0f n GLY 44 Ca 0.07 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.39 2b0f n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b0f n ASP 45 N 0.00 1.10 -3.78 1.61 5.75 -1.26 -4.81 116.55 115.16 2b0f n ASP 45 Ca 0.00 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.58 2b0f n ASP 45 Cb 0.00 0.83 -0.17 0.00 -1.03 0.00 0.00 41.12 40.75 2b0f n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2b0f s ASP 46 N -2.91 1.04 0.44 -1.12 -1.08 -1.26 -1.32 116.67 110.46 2b0f s ASP 46 Ca 0.10 -0.04 0.05 0.00 -0.52 0.00 0.00 52.55 52.14 2b0f s ASP 46 Cb 0.17 -0.32 -0.06 0.00 -1.46 0.00 0.00 42.92 41.25 2b0f s ASP 46 CO 0.80 -0.16 0.01 0.68 0.52 0.00 0.00 175.17 177.03 2b0f s VAL 47 N 1.56 1.75 -0.18 1.11 -7.23 0.45 -4.93 120.40 112.92 2b0f s VAL 47 Ca -0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2b0f s VAL 47 Cb -0.13 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.08 2b0f s VAL 47 CO -0.03 0.00 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.85 2b0f s LEU 48 N -3.76 2.41 -0.53 1.32 1.02 -1.14 0.27 118.68 118.27 2b0f s LEU 48 Ca 0.26 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 53.78 2b0f s LEU 48 Cb 0.07 -1.56 0.13 0.00 0.02 0.00 0.00 46.19 44.86 2b0f s LEU 48 CO 0.13 0.03 0.41 0.54 0.02 0.00 0.00 176.35 177.48 2b0f s VAL 49 N 1.16 4.37 -1.12 -1.59 0.11 0.22 -0.27 120.40 123.29 2b0f s VAL 49 Ca 0.01 -1.96 -0.10 0.00 -2.93 0.00 0.00 61.98 57.00 2b0f s VAL 49 Cb -0.14 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 2b0f s VAL 49 CO -0.06 -0.82 0.86 -3.20 -3.33 0.00 0.00 175.10 168.54 2b0f n ASN 50 N 4.69 -5.26 0.00 3.54 2.85 0.28 -2.49 115.26 118.87 2b0f n ASN 50 Ca -0.04 -0.82 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 2b0f n ASN 50 Cb 0.41 -4.46 0.00 0.00 1.24 0.00 0.00 39.78 36.97 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2b0f n GLY 51 N -1.42 1.21 3.65 8.20 0.00 -1.26 -4.95 105.19 110.63 2b0f n GLY 51 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2b0f n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b0f s GLN 52 N 0.00 4.12 0.34 1.61 -0.44 -1.04 -4.93 119.66 119.32 2b0f s GLN 52 Ca 0.00 1.75 -0.24 0.00 -2.50 0.00 0.00 55.36 54.37 2b0f s GLN 52 Cb 0.00 -3.87 -0.10 0.00 -1.64 0.00 0.00 33.01 27.40 2b0f s GLN 52 CO 0.00 -0.87 0.92 0.15 0.50 0.00 0.00 175.29 175.98 2b0f s LYS 53 N 3.88 4.44 -0.02 1.67 1.02 -1.26 0.72 119.74 130.19 2b0f s LYS 53 Ca 0.62 1.21 -0.07 0.00 0.02 0.00 0.00 55.97 57.76 2b0f s LYS 53 Cb -0.24 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2b0f s LYS 53 CO 0.21 0.21 0.14 -1.50 -0.92 0.00 0.00 175.35 173.50 2b0f s ILE 54 N -1.77 0.05 0.34 2.17 2.07 0.14 -4.89 121.20 119.33 2b0f s ILE 54 Ca 0.53 -0.44 -0.25 0.00 -1.41 0.00 0.00 60.65 59.07 2b0f s ILE 54 Cb -0.16 -0.36 -0.10 0.00 0.13 0.00 0.00 42.46 41.97 2b0f s ILE 54 CO 0.20 -0.24 0.95 -0.13 -1.91 0.00 0.00 174.94 173.81 2b0f s ARG 55 N -0.85 4.52 0.23 3.50 1.81 -1.26 -0.41 118.95 126.48 2b0f s ARG 55 Ca -0.09 1.30 -0.09 0.00 -1.72 0.00 0.00 55.73 55.12 2b0f s ARG 55 Cb -0.05 -2.69 -0.07 0.00 -0.45 0.00 0.00 34.95 31.69 2b0f s ARG 55 CO 0.01 0.22 0.54 0.54 -0.68 0.00 0.00 175.30 175.93 2b0f s VAL 56 N -1.71 4.96 -0.17 3.52 0.11 -0.43 -4.42 120.40 122.25 2b0f s VAL 56 Ca 0.52 0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 59.84 2b0f s VAL 56 Cb -0.17 -3.62 -0.06 0.00 -1.53 0.00 0.00 36.38 30.99 2b0f s VAL 56 CO 0.22 -0.08 -0.22 1.17 -3.33 0.00 0.00 175.10 172.86 2b0f n LYS 57 N -0.17 0.50 -3.61 1.54 0.00 -0.34 -4.93 118.16 111.14 2b0f n LYS 57 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 58.31 58.56 2b0f n LYS 57 Cb 0.52 -1.58 -0.13 0.00 0.00 0.00 0.00 35.03 33.84 2b0f n LYS 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2b0f s ASP 58 N -6.05 0.60 -0.29 3.14 2.15 0.13 -5.02 116.67 111.32 2b0f s ASP 58 Ca -0.23 0.39 -0.07 0.00 0.43 0.00 0.00 52.55 53.06 2b0f s ASP 58 Cb 0.04 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 2b0f s ASP 58 CO 0.35 -0.26 0.09 -0.75 -0.17 0.00 0.00 175.17 174.43 2b0f s LYS 59 N 2.39 3.20 -0.19 4.34 2.20 -1.26 0.30 119.74 130.72 2b0f s LYS 59 Ca 0.03 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2b0f s LYS 59 Cb -0.13 -3.39 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2b0f s LYS 59 CO -0.09 -0.40 -0.16 -0.47 -0.36 0.00 0.00 175.35 173.87 2b0f s TYR 60 N 1.53 2.67 -0.46 4.03 5.04 0.12 -4.98 117.35 125.30 2b0f s TYR 60 Ca 0.03 -1.66 -0.29 0.00 -2.44 0.00 0.00 57.07 52.72 2b0f s TYR 60 Cb -0.17 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.35 2b0f s TYR 60 CO 0.03 -0.78 1.30 0.15 -1.34 0.00 0.00 175.55 174.91 2b0f s LYS 61 N 1.32 3.60 -0.37 4.97 1.02 -1.26 0.63 119.74 129.65 2b0f s LYS 61 Ca 0.02 0.71 -0.25 0.00 0.02 0.00 0.00 55.97 56.47 2b0f s LYS 61 Cb -0.15 -3.99 0.01 0.00 -0.52 0.00 0.00 37.83 33.19 2b0f s LYS 61 CO -0.10 -1.54 0.87 -1.17 -0.92 0.00 0.00 175.35 172.48 2b0f s LEU 62 N 5.11 4.05 0.35 3.17 2.96 0.23 -4.94 118.68 129.60 2b0f s LEU 62 Ca 0.54 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 2b0f s LEU 62 Cb -0.10 -3.16 -0.07 0.00 0.50 0.00 0.00 46.19 43.35 2b0f s LEU 62 CO 0.31 -0.80 -0.00 0.68 -1.32 0.00 0.00 176.35 175.22 2b0f s VAL 63 N 3.32 1.72 0.46 1.68 -7.23 -1.26 -3.02 120.40 116.06 2b0f s VAL 63 Ca 0.35 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.23 2b0f s VAL 63 Cb -0.12 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.95 2b0f s VAL 63 CO 0.18 -0.08 1.32 -0.62 -0.31 0.00 0.00 175.10 175.59 2b0f s ASP 64 N -3.58 5.94 0.65 4.85 -1.08 0.40 -4.79 116.67 119.06 2b0f s ASP 64 Ca 0.34 2.69 0.26 0.00 -0.52 0.00 0.00 52.55 55.31 2b0f s ASP 64 Cb 0.07 -2.64 1.40 0.00 -1.46 0.00 0.00 42.92 40.30 2b0f s ASP 64 CO 0.16 -1.11 1.78 1.55 0.52 0.00 0.00 175.17 178.07 2b0f h PRO 65 N 2.21 0.00 -0.64 4.34 0.13 -2.00 1.04 132.00 137.08 2b0f h PRO 65 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2b0f h PRO 65 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2b0f h PRO 65 CO 0.61 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 2b0f n GLU 66 N -2.80 3.40 -3.12 0.86 1.02 -1.26 -4.93 120.64 113.81 2b0f n GLU 66 Ca -0.02 -2.37 -0.09 0.00 -0.02 0.00 0.00 57.16 54.67 2b0f n GLU 66 Cb 0.45 -1.84 0.04 0.00 -0.02 0.00 0.00 31.44 30.06 2b0f n GLU 66 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2b0f n ASN 67 N 0.82 -6.97 -4.09 1.62 5.15 0.36 -5.06 115.26 107.09 2b0f n ASN 67 Ca 0.21 -0.43 -0.20 0.00 -0.60 0.00 0.00 54.58 53.56 2b0f n ASN 67 Cb 0.80 -5.11 -0.14 0.00 -0.53 0.00 0.00 39.78 34.79 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2b0f s ILE 68 N -3.22 0.97 0.11 -1.44 1.01 -1.20 -4.91 121.20 112.52 2b0f s ILE 68 Ca 0.26 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 2b0f s ILE 68 Cb -0.03 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 2b0f s ILE 68 CO 0.72 0.16 1.62 0.21 0.00 0.00 0.00 174.94 177.65 2b0f s ASN 69 N -0.59 6.59 -0.16 3.58 2.47 -0.63 0.15 114.94 126.35 2b0f s ASN 69 Ca 0.03 2.55 0.18 0.00 0.42 0.00 0.00 52.86 56.04 2b0f s ASN 69 Cb -0.06 -2.58 -0.25 0.00 -1.45 0.00 0.00 41.25 36.92 2b0f s ASN 69 CO 0.00 -0.87 0.20 0.18 -3.72 0.00 0.00 177.10 172.89 2b0f n LEU 70 N 4.92 0.14 0.00 3.21 4.77 -1.21 -1.53 117.00 127.30 2b0f n LEU 70 Ca 0.15 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2b0f n LEU 70 Cb 0.40 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2b0f n LEU 70 CO 0.62 0.44 0.00 1.21 -1.33 0.00 0.00 177.39 178.33 2b0f n GLU 71 N -2.76 0.00 -3.09 3.23 4.07 -1.17 -4.82 120.64 116.10 2b0f n GLU 71 Ca -0.28 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.38 2b0f n GLU 71 Cb 1.10 -2.06 -0.06 0.00 -0.06 0.00 0.00 31.44 30.36 2b0f n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2b0f s LEU 72 N 0.00 4.63 -0.53 4.31 1.02 -1.17 -2.24 118.68 124.70 2b0f s LEU 72 Ca 0.00 -0.58 -0.22 0.00 0.02 0.00 0.00 54.13 53.36 2b0f s LEU 72 Cb 0.00 -2.63 0.05 0.00 0.02 0.00 0.00 46.19 43.63 2b0f s LEU 72 CO 0.00 -0.90 0.79 -0.89 0.02 0.00 0.00 176.35 175.37 2b0f s THR 73 N 2.92 4.62 -0.71 5.49 2.01 -0.17 0.74 115.64 130.54 2b0f s THR 73 Ca 0.21 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.81 2b0f s THR 73 Cb -0.16 -4.43 0.02 0.00 0.01 0.00 0.00 72.50 67.94 2b0f s THR 73 CO 0.16 -0.98 1.45 -0.69 -0.69 0.00 0.00 174.62 173.87 2b0f s VAL 74 N 3.31 3.62 -0.61 3.82 1.01 0.21 -1.61 120.40 130.15 2b0f s VAL 74 Ca 0.23 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 2b0f s VAL 74 Cb -0.16 -4.64 0.08 0.00 0.00 0.00 0.00 36.38 31.66 2b0f s VAL 74 CO 0.15 -1.59 0.81 -0.22 0.00 0.00 0.00 175.10 174.25 2b0f s LEU 75 N 6.69 4.87 -0.64 3.92 2.96 0.11 -0.70 118.68 135.89 2b0f s LEU 75 Ca 0.44 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.03 2b0f s LEU 75 Cb -0.09 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.32 2b0f s LEU 75 CO 0.16 -1.23 0.75 -0.89 -1.32 0.00 0.00 176.35 173.82 2b0f s THR 76 N 3.30 4.86 -0.10 3.68 2.01 0.15 -0.60 115.64 128.94 2b0f s THR 76 Ca 0.17 -1.14 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2b0f s THR 76 Cb -0.20 -4.52 0.01 0.00 0.01 0.00 0.00 72.50 67.80 2b0f s THR 76 CO 0.09 -1.16 -0.20 -1.48 -0.69 0.00 0.00 174.62 171.18 2b0f s LEU 77 N 2.52 1.94 -1.06 4.42 2.34 0.22 0.18 118.68 129.24 2b0f s LEU 77 Ca 0.14 -0.50 -0.23 0.00 0.06 0.00 0.00 54.13 53.60 2b0f s LEU 77 Cb -0.21 -1.25 -0.02 0.00 -0.56 0.00 0.00 46.19 44.15 2b0f s LEU 77 CO 0.04 0.09 1.79 -0.62 -1.06 0.00 0.00 176.35 176.59 2b0f s ASP 78 N 0.64 5.70 0.26 1.48 2.15 -1.26 -4.63 116.67 121.01 2b0f s ASP 78 Ca -0.13 -1.37 -0.29 0.00 0.43 0.00 0.00 52.55 51.19 2b0f s ASP 78 Cb -0.16 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.79 2b0f s ASP 78 CO 0.03 -2.29 0.94 -0.60 -0.17 0.00 0.00 175.17 173.09 2b0f s ARG 79 N 5.97 4.79 0.18 4.34 6.06 -1.26 -4.96 118.95 134.06 2b0f s ARG 79 Ca 0.61 1.45 -0.07 0.00 -2.50 0.00 0.00 55.73 55.22 2b0f s ARG 79 Cb -0.02 -3.16 0.07 0.00 0.06 0.00 0.00 34.95 31.90 2b0f s ARG 79 CO 0.02 0.46 1.55 -0.91 -2.50 0.00 0.00 175.30 173.91 2b0f h ASN 80 N 3.91 0.88 -2.68 -2.12 4.21 -1.97 -3.35 115.58 114.46 2b0f h ASN 80 Ca -0.45 -0.37 -0.67 0.00 1.21 0.00 0.00 56.30 56.02 2b0f h ASN 80 Cb 1.20 -0.25 -0.17 0.00 -1.12 0.00 0.00 38.32 37.98 2b0f h ASN 80 CO 0.67 1.12 0.51 -1.61 -1.29 0.00 0.00 177.43 176.83 2b0f s GLU 81 N -4.47 3.25 0.48 0.81 0.41 -1.26 -5.02 118.70 112.90 2b0f s GLU 81 Ca -0.10 -1.29 -0.18 0.00 -0.41 0.00 0.00 54.97 52.99 2b0f s GLU 81 Cb 0.12 -4.45 -0.09 0.00 -1.78 0.00 0.00 34.13 27.93 2b0f s GLU 81 CO 0.86 -1.72 0.97 0.15 -0.49 0.00 0.00 175.26 175.03 2b0f s LYS 82 N 3.18 4.04 0.50 1.61 1.02 -1.26 -5.04 119.74 123.79 2b0f s LYS 82 Ca 0.22 1.00 -0.07 0.00 0.02 0.00 0.00 55.97 57.14 2b0f s LYS 82 Cb -0.15 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2b0f s LYS 82 CO 0.03 -0.18 0.84 -0.06 -0.92 0.00 0.00 175.35 175.06 2b0f s PHE 83 N -2.46 3.56 0.66 3.18 0.08 0.34 -4.89 117.98 118.44 2b0f s PHE 83 Ca 0.60 0.96 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 2b0f s PHE 83 Cb -0.10 -2.42 -0.00 0.00 -0.57 0.00 0.00 43.02 39.93 2b0f s PHE 83 CO 0.25 -0.34 1.08 1.03 -0.10 0.00 0.00 175.22 177.14 2b0f s ARG 84 N -4.68 2.95 -1.45 0.44 1.81 -1.26 -1.53 118.95 115.22 2b0f s ARG 84 Ca 0.50 1.20 -0.12 0.00 -1.72 0.00 0.00 55.73 55.59 2b0f s ARG 84 Cb -0.10 -1.98 0.04 0.00 -0.45 0.00 0.00 34.95 32.46 2b0f s ARG 84 CO 0.44 -1.11 2.32 -0.25 -0.68 0.00 0.00 175.30 176.02 2b0f n ASP 85 N -2.56 5.30 -0.07 0.23 9.92 -1.26 -3.31 116.55 124.80 2b0f n ASP 85 Ca 0.09 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.49 2b0f n ASP 85 Cb 0.53 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 2b0f n ASP 85 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2b0f n ILE 86 N 4.26 0.00 0.24 0.53 -6.64 -0.50 -3.70 119.36 113.55 2b0f n ILE 86 Ca 0.56 0.00 0.16 0.00 -1.77 0.00 0.00 62.75 61.69 2b0f n ILE 86 Cb 0.35 -0.16 0.85 0.00 -1.44 0.00 0.00 39.64 39.23 2b0f n ILE 86 CO 0.00 0.00 0.00 0.08 -1.77 0.00 0.00 176.55 174.86 2b0f h ARG 87 N 0.03 0.00 0.00 6.28 0.11 -1.82 -0.21 114.38 118.78 2b0f h ARG 87 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2b0f h ARG 87 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2b0f h ARG 87 CO 0.00 0.00 0.00 0.78 0.10 0.00 0.00 179.97 180.85 2b0f h GLY 88 N 0.00 0.00 -0.51 0.08 0.00 -1.93 -2.01 103.07 98.70 2b0f h GLY 88 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2b0f h GLY 88 CO -0.00 0.00 -0.33 0.69 0.00 0.00 0.00 176.54 176.90 2b0f n PHE 89 N -2.72 0.00 -2.83 5.60 3.72 -0.09 -4.87 117.46 116.26 2b0f n PHE 89 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 2b0f n PHE 89 Cb 0.27 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2b0f n PHE 89 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2b0f s ILE 90 N -2.43 4.79 -0.22 4.37 1.01 -0.76 -1.26 121.20 126.70 2b0f s ILE 90 Ca 0.23 1.87 -0.19 0.00 0.00 0.00 0.00 60.65 62.56 2b0f s ILE 90 Cb 0.19 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2b0f s ILE 90 CO 0.52 0.25 0.53 -0.44 0.00 0.00 0.00 174.94 175.80 2b0f s SER 91 N 0.54 6.54 -0.02 3.58 0.01 -1.07 -4.27 113.70 119.01 2b0f s SER 91 Ca 0.46 0.64 -0.11 0.00 1.31 0.00 0.00 55.95 58.25 2b0f s SER 91 Cb -0.21 -2.30 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 2b0f s SER 91 CO 0.26 -0.23 0.61 -0.08 0.41 0.00 0.00 173.24 174.21 2b0f h GLU 92 N 7.64 -0.39 -5.92 12.44 4.57 -1.88 -2.93 114.58 128.11 2b0f h GLU 92 Ca -0.32 0.03 -0.59 0.00 -1.18 0.00 0.00 59.36 57.30 2b0f h GLU 92 Cb 1.15 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 2b0f h GLU 92 CO 0.74 -0.26 -0.14 0.34 -1.18 0.00 0.00 179.01 178.51 2b0f s ASP 93 N -4.10 6.80 0.08 1.04 2.15 -1.26 -4.64 116.67 116.74 2b0f s ASP 93 Ca -0.06 0.95 -0.30 0.00 0.43 0.00 0.00 52.55 53.57 2b0f s ASP 93 Cb 0.01 -2.29 -0.16 0.00 -0.30 0.00 0.00 42.92 40.18 2b0f s ASP 93 CO 0.18 0.16 1.65 -0.07 -0.17 0.00 0.00 175.17 176.92 2b0f h LEU 94 N 5.65 -0.61 -3.29 -1.34 3.38 -1.96 -3.47 115.31 113.67 2b0f h LEU 94 Ca -0.46 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.22 2b0f h LEU 94 Cb 1.20 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2b0f h LEU 94 CO 0.69 -0.40 -0.79 1.21 0.09 0.00 0.00 178.44 179.23 2b0f n GLU 95 N -5.38 -1.58 0.00 1.13 2.13 -1.26 -4.94 120.64 110.74 2b0f n GLU 95 Ca -0.11 1.11 0.00 0.00 0.66 0.00 0.00 57.16 58.82 2b0f n GLU 95 Cb 0.28 -3.35 0.00 0.00 0.27 0.00 0.00 31.44 28.64 2b0f n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b0f n GLY 96 N -1.43 -0.06 0.00 8.31 0.00 -1.26 -5.02 105.19 105.73 2b0f n GLY 96 Ca -0.19 0.52 0.05 0.00 0.00 0.00 0.00 46.02 46.40 2b0f n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2b0f n VAL 97 N 0.00 0.00 -4.61 1.61 3.14 -1.26 -4.64 118.33 112.57 2b0f n VAL 97 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2b0f n VAL 97 Cb 0.00 -0.21 -0.16 0.00 -1.06 0.00 0.00 33.84 32.40 2b0f n VAL 97 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2b0f s ASP 98 N -1.40 3.24 0.17 6.55 2.15 -1.26 -0.53 116.67 125.59 2b0f s ASP 98 Ca 0.14 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 52.61 2b0f s ASP 98 Cb 0.07 -1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 41.17 2b0f s ASP 98 CO 0.11 0.08 -0.12 0.00 -0.17 0.00 0.00 175.17 175.06 2b0f s ALA 99 N 0.84 1.71 -0.02 3.66 0.00 0.68 -4.93 121.76 123.70 2b0f s ALA 99 Ca -0.06 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.41 2b0f s ALA 99 Cb -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2b0f s ALA 99 CO -0.02 -0.01 -0.20 0.99 0.00 0.00 0.00 175.76 176.52 2b0f s THR 100 N -3.07 1.61 -0.26 0.00 2.01 -0.07 -2.53 115.64 113.33 2b0f s THR 100 Ca 0.19 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2b0f s THR 100 Cb 0.00 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 2b0f s THR 100 CO 0.04 0.46 0.04 -0.22 -0.69 0.00 0.00 174.62 174.24 2b0f s LEU 101 N -0.40 3.45 -0.43 4.42 2.96 0.22 0.42 118.68 129.32 2b0f s LEU 101 Ca 0.06 -0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 2b0f s LEU 101 Cb -0.09 -1.85 0.07 0.00 0.50 0.00 0.00 46.19 44.82 2b0f s LEU 101 CO -0.00 -0.10 0.29 -0.69 -1.32 0.00 0.00 176.35 174.53 2b0f s VAL 102 N 1.52 4.60 -0.25 1.68 1.01 0.83 0.60 120.40 130.39 2b0f s VAL 102 Ca 0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.73 2b0f s VAL 102 Cb -0.16 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2b0f s VAL 102 CO 0.01 -0.48 0.13 -0.69 0.00 0.00 0.00 175.10 174.07 2b0f s VAL 103 N 1.51 4.90 -0.60 2.92 1.01 0.53 -0.20 120.40 130.47 2b0f s VAL 103 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2b0f s VAL 103 Cb -0.23 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.05 2b0f s VAL 103 CO 0.04 0.32 0.52 1.57 0.00 0.00 0.00 175.10 177.55 2b0f n HIS 104 N 4.74 2.04 -4.02 5.22 -0.00 -1.22 -0.72 115.22 121.27 2b0f n HIS 104 Ca -0.15 -3.98 -0.01 0.00 -0.00 0.00 0.00 57.72 53.58 2b0f n HIS 104 Cb 0.52 -0.38 -0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2b0f n HIS 104 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2b0f n SER 105 N 1.87 1.89 -0.12 0.26 7.64 0.83 -2.73 113.62 123.26 2b0f n SER 105 Ca 0.24 -1.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.01 2b0f n SER 105 Cb 0.41 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.65 2b0f n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2b0f h ASN 106 N 0.04 0.15 0.00 6.43 7.08 -1.73 -3.33 115.58 124.22 2b0f h ASN 106 Ca -0.01 0.05 -0.15 0.00 -3.08 0.00 0.00 56.30 53.11 2b0f h ASN 106 Cb 0.04 0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 36.29 2b0f h ASN 106 CO 0.02 0.12 -1.42 -3.20 -2.08 0.00 0.00 177.43 170.87 2b0f n ASN 107 N -5.01 1.93 -4.56 6.14 2.85 -1.26 -4.74 115.26 110.61 2b0f n ASN 107 Ca 0.02 0.37 -0.40 0.00 -0.11 0.00 0.00 54.58 54.46 2b0f n ASN 107 Cb 0.15 -0.79 -0.03 0.00 1.24 0.00 0.00 39.78 40.35 2b0f n ASN 107 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2b0f s PHE 108 N -2.71 2.47 -0.31 1.20 0.08 -1.26 -4.95 117.98 112.51 2b0f s PHE 108 Ca -0.31 -0.70 -0.08 0.00 0.12 0.00 0.00 56.93 55.96 2b0f s PHE 108 Cb 0.07 -4.66 0.01 0.00 -0.57 0.00 0.00 43.02 37.87 2b0f s PHE 108 CO 0.44 -1.94 0.11 0.99 -0.10 0.00 0.00 175.22 174.71 2b0f s THR 109 N 5.30 4.20 -0.82 0.64 2.01 -1.25 -0.12 115.64 125.60 2b0f s THR 109 Ca 0.46 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2b0f s THR 109 Cb -0.01 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2b0f s THR 109 CO -0.07 0.05 0.00 0.59 -0.69 0.00 0.00 174.62 174.49 2b0f n ASN 110 N 4.91 -3.41 -4.58 3.53 4.13 0.10 -4.95 115.26 114.99 2b0f n ASN 110 Ca -0.14 0.06 -0.43 0.00 1.68 0.00 0.00 54.58 55.76 2b0f n ASN 110 Cb 0.48 -2.38 -0.04 0.00 -1.54 0.00 0.00 39.78 36.30 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2b0f s THR 111 N -2.41 4.50 -0.56 3.41 2.01 -0.09 -4.89 115.64 117.61 2b0f s THR 111 Ca 0.00 0.93 -0.16 0.00 0.31 0.00 0.00 61.69 62.77 2b0f s THR 111 Cb 0.00 -4.40 0.13 0.00 0.01 0.00 0.00 72.50 68.24 2b0f s THR 111 CO 0.00 -0.73 0.53 -0.63 -0.69 0.00 0.00 174.62 173.10 2b0f s ILE 112 N 3.68 5.21 -0.07 1.82 1.01 -1.26 -0.35 121.20 131.24 2b0f s ILE 112 Ca 0.38 -1.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.37 2b0f s ILE 112 Cb -0.11 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2b0f s ILE 112 CO 0.24 -0.90 0.32 -0.76 0.00 0.00 0.00 174.94 173.84 2b0f s LEU 113 N 1.59 4.39 -0.35 2.97 1.02 0.20 -4.91 118.68 123.59 2b0f s LEU 113 Ca 0.05 0.74 -0.15 0.00 0.02 0.00 0.00 54.13 54.79 2b0f s LEU 113 Cb -0.28 -2.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.49 2b0f s LEU 113 CO 0.02 0.28 0.35 -1.83 0.02 0.00 0.00 176.35 175.19 2b0f s GLU 114 N -0.62 3.51 0.02 1.70 -1.05 -1.26 0.72 118.70 121.72 2b0f s GLU 114 Ca 0.20 -0.49 0.22 0.00 -0.15 0.00 0.00 54.97 54.76 2b0f s GLU 114 Cb -0.15 -3.82 -0.26 0.00 -0.44 0.00 0.00 34.13 29.47 2b0f s GLU 114 CO 0.09 -0.54 0.62 1.33 0.95 0.00 0.00 175.26 177.71 2b0f n VAL 115 N 5.23 0.13 -2.06 1.83 0.24 -1.15 -4.98 118.33 117.58 2b0f n VAL 115 Ca -0.09 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2b0f n VAL 115 Cb 0.49 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 2b0f n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b0f n GLY 116 N 1.25 0.40 3.77 7.63 0.00 -1.05 -4.84 105.19 112.35 2b0f n GLY 116 Ca -0.03 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 2b0f n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b0f s PRO 117 N 0.00 4.10 0.43 1.61 0.02 -1.24 -0.23 135.00 139.69 2b0f s PRO 117 Ca 0.00 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.18 2b0f s PRO 117 Cb 0.00 -2.84 -0.06 0.00 0.02 0.00 0.00 34.50 31.62 2b0f s PRO 117 CO 0.00 -0.36 0.07 0.14 -0.33 0.00 0.00 177.00 176.52 2b0f s VAL 118 N -1.26 1.98 0.07 3.83 -7.23 0.31 -4.44 120.40 113.67 2b0f s VAL 118 Ca 0.54 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2b0f s VAL 118 Cb -0.37 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2b0f s VAL 118 CO 0.48 0.00 0.25 -0.89 -0.31 0.00 0.00 175.10 174.63 2b0f s THR 119 N -2.70 0.11 -0.20 5.32 2.01 0.22 -4.95 115.64 115.45 2b0f s THR 119 Ca 0.33 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 2b0f s THR 119 Cb 0.07 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2b0f s THR 119 CO 0.18 -0.50 0.12 -0.04 -0.69 0.00 0.00 174.62 173.69 2b0f s MET 120 N -3.27 4.14 0.02 4.92 -1.94 -1.26 0.14 119.30 122.05 2b0f s MET 120 Ca 0.00 -0.25 0.22 0.00 -1.71 0.00 0.00 55.69 53.96 2b0f s MET 120 Cb 0.02 -3.41 -0.21 0.00 2.01 0.00 0.00 34.83 33.25 2b0f s MET 120 CO -0.08 0.26 0.72 0.00 -0.01 0.00 0.00 175.02 175.91 2b0f n ALA 121 N 3.63 3.19 0.00 3.03 0.00 0.31 -4.83 120.51 125.85 2b0f n ALA 121 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2b0f n ALA 121 Cb 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2b0f n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b0f n GLY 122 N 1.31 2.08 3.42 0.00 0.00 -1.20 -4.70 105.19 106.10 2b0f n GLY 122 Ca -0.01 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2b0f n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b0f s LEU 123 N 0.00 3.31 0.00 0.99 0.20 -1.26 -1.30 118.68 120.62 2b0f s LEU 123 Ca 0.00 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.58 2b0f s LEU 123 Cb 0.00 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.88 2b0f s LEU 123 CO 0.00 -0.03 0.00 2.30 -0.29 0.00 0.00 176.35 178.33 2b0f n ILE 124 N 4.85 0.00 -5.02 6.68 -5.35 -0.05 -4.97 119.36 115.51 2b0f n ILE 124 Ca -0.17 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 61.99 2b0f n ILE 124 Cb 0.51 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.26 2b0f n ILE 124 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2b0f s ASN 125 N -0.19 3.53 -0.35 7.28 -0.87 -1.26 -0.09 114.94 122.99 2b0f s ASN 125 Ca 0.00 -0.43 -0.06 0.00 -1.57 0.00 0.00 52.86 50.80 2b0f s ASN 125 Cb 0.00 -1.36 0.05 0.00 -0.02 0.00 0.00 41.25 39.92 2b0f s ASN 125 CO 0.00 0.19 0.13 -0.76 -2.57 0.00 0.00 177.10 174.09 2b0f s LEU 126 N 0.19 4.50 -1.71 0.60 2.01 0.14 -4.43 118.68 119.98 2b0f s LEU 126 Ca -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 52.72 2b0f s LEU 126 Cb -0.16 -1.86 0.00 0.00 0.01 0.00 0.00 46.19 44.18 2b0f s LEU 126 CO 0.06 -0.38 0.00 -0.24 1.01 0.00 0.00 176.35 176.81 2b0f n SER 127 N 4.78 -5.59 0.00 2.29 2.88 -1.26 -1.06 113.62 115.66 2b0f n SER 127 Ca -0.11 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2b0f n SER 127 Cb 0.44 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 2b0f n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2b0f n SER 128 N -1.69 0.00 -4.69 -3.46 7.64 -1.26 -5.02 113.62 105.13 2b0f n SER 128 Ca -0.23 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.23 2b0f n SER 128 Cb 0.67 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.84 2b0f n SER 128 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2b0f s THR 129 N -2.72 4.85 -0.09 0.44 2.01 -0.23 -4.92 115.64 114.97 2b0f s THR 129 Ca 0.00 1.90 -0.29 0.00 0.31 0.00 0.00 61.69 63.60 2b0f s THR 129 Cb 0.00 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 2b0f s THR 129 CO 0.00 0.06 1.80 -2.84 -0.69 0.00 0.00 174.62 172.95 2b0f s PRO 130 N 1.74 3.93 0.02 4.92 0.02 -1.26 0.26 135.00 144.63 2b0f s PRO 130 Ca 0.46 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.70 2b0f s PRO 130 Cb -0.18 -4.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.22 2b0f s PRO 130 CO 0.18 -1.15 -0.26 0.95 -0.33 0.00 0.00 177.00 176.39 2b0f s THR 131 N 5.00 2.08 0.33 0.99 -4.23 0.88 -1.60 115.64 119.10 2b0f s THR 131 Ca 0.80 -1.28 0.10 0.00 -1.18 0.00 0.00 61.69 60.12 2b0f s THR 131 Cb -0.33 -1.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 2b0f s THR 131 CO 0.33 0.43 -0.09 0.21 -0.54 0.00 0.00 174.62 174.97 2b0f s ASN 132 N -1.02 3.82 -1.40 3.99 2.47 -0.59 -0.87 114.94 121.34 2b0f s ASN 132 Ca 0.11 -1.13 -0.03 0.00 0.42 0.00 0.00 52.86 52.23 2b0f s ASN 132 Cb -0.10 -0.39 0.00 0.00 -1.45 0.00 0.00 41.25 39.32 2b0f s ASN 132 CO 0.01 -0.18 0.44 0.54 -3.72 0.00 0.00 177.10 174.19 2b0f n ARG 133 N -0.81 -3.81 -2.71 0.43 1.74 -0.42 -4.70 116.66 106.38 2b0f n ARG 133 Ca -0.05 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.44 2b0f n ARG 133 Cb 0.63 -5.42 -0.05 0.00 -1.02 0.00 0.00 32.46 26.60 2b0f n ARG 133 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2b0f s MET 134 N -5.44 4.75 -0.12 5.56 -1.94 -0.62 -2.20 119.30 119.29 2b0f s MET 134 Ca 0.22 1.51 -0.13 0.00 -1.71 0.00 0.00 55.69 55.58 2b0f s MET 134 Cb -0.10 -3.32 -0.05 0.00 2.01 0.00 0.00 34.83 33.38 2b0f s MET 134 CO 0.27 0.33 0.29 0.42 -0.01 0.00 0.00 175.02 176.32 2b0f s ILE 135 N -0.56 5.28 -0.14 2.53 1.01 0.30 -0.53 121.20 129.10 2b0f s ILE 135 Ca 0.45 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.67 2b0f s ILE 135 Cb -0.25 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.62 2b0f s ILE 135 CO 0.32 0.47 -0.22 -0.60 0.00 0.00 0.00 174.94 174.91 2b0f s ARG 136 N -0.09 2.95 -0.04 2.79 3.52 0.36 -1.61 118.95 126.84 2b0f s ARG 136 Ca 0.18 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.91 2b0f s ARG 136 Cb -0.14 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2b0f s ARG 136 CO 0.06 -0.01 0.11 1.52 -0.81 0.00 0.00 175.30 176.16 2b0f s TYR 137 N 0.81 -0.12 -0.83 5.12 -0.85 -0.90 0.70 117.35 121.28 2b0f s TYR 137 Ca -0.07 0.29 -0.25 0.00 -0.52 0.00 0.00 57.07 56.51 2b0f s TYR 137 Cb -0.16 0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.25 2b0f s TYR 137 CO -0.02 -0.06 1.32 0.34 -1.52 0.00 0.00 175.55 175.61 2b0f s ASP 138 N 0.16 6.28 -0.28 -0.18 2.15 -1.26 -0.25 116.67 123.28 2b0f s ASP 138 Ca -0.01 -0.83 -0.18 0.00 0.43 0.00 0.00 52.55 51.97 2b0f s ASP 138 Cb -0.02 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 2b0f s ASP 138 CO -0.00 -1.70 0.87 -0.47 -0.17 0.00 0.00 175.17 173.70 2b0f s TYR 139 N 5.38 -0.74 -1.11 -5.34 5.04 0.20 -4.96 117.35 115.82 2b0f s TYR 139 Ca 0.38 1.52 -0.23 0.00 -2.44 0.00 0.00 57.07 56.30 2b0f s TYR 139 Cb -0.06 0.44 -0.05 0.00 0.35 0.00 0.00 41.96 42.65 2b0f s TYR 139 CO 0.06 -0.36 1.88 0.00 -1.34 0.00 0.00 175.55 175.79 2b0f s ALA 140 N 1.26 2.00 0.07 3.97 0.00 -1.22 -3.05 121.76 124.79 2b0f s ALA 140 Ca -0.07 -2.07 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 2b0f s ALA 140 Cb -0.04 -4.63 -0.07 0.00 0.00 0.00 0.00 23.12 18.38 2b0f s ALA 140 CO -0.15 -4.78 0.56 0.95 0.00 0.00 0.00 175.76 172.35 2b0f s THR 141 N 9.55 4.75 0.17 0.00 -4.23 -1.26 -5.04 115.64 119.58 2b0f s THR 141 Ca 0.66 1.19 0.07 0.00 -1.18 0.00 0.00 61.69 62.43 2b0f s THR 141 Cb -0.02 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 2b0f s THR 141 CO 0.07 0.54 -0.15 -0.54 -0.54 0.00 0.00 174.62 174.00 2b0f s LYS 142 N -1.15 1.22 0.47 3.99 1.02 -1.26 -4.81 119.74 119.22 2b0f s LYS 142 Ca 0.29 -1.45 -0.17 0.00 0.02 0.00 0.00 55.97 54.66 2b0f s LYS 142 Cb -0.19 -1.08 -0.14 0.00 -0.52 0.00 0.00 37.83 35.90 2b0f s LYS 142 CO 0.19 0.19 -0.11 2.41 -0.92 0.00 0.00 175.35 177.11 2b0f n THR 143 N 0.00 0.00 0.00 2.17 -1.04 -1.26 -1.54 114.28 112.62 2b0f n THR 143 Ca -0.11 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2b0f n THR 143 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2b0f n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b0f n GLY 144 N 2.35 2.94 0.83 3.41 0.00 -1.26 -4.82 105.19 108.65 2b0f n GLY 144 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 2b0f n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b0f n GLN 145 N -0.53 2.07 -2.67 1.61 6.02 -0.59 -4.77 117.38 118.52 2b0f n GLN 145 Ca 0.00 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.00 54.93 2b0f n GLN 145 Cb 0.00 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0f n GLY 147 N 3.10 1.52 3.69 0.00 0.00 0.11 -4.76 105.19 108.87 2b0f n GLY 147 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2b0f n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 148 N 0.00 0.20 3.59 -0.02 0.00 -1.19 -4.20 105.19 103.57 2b0f n GLY 148 Ca 0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2b0f n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b0f s VAL 149 N -1.61 5.22 -0.46 1.61 1.01 0.72 0.60 120.40 127.49 2b0f s VAL 149 Ca 0.79 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.87 2b0f s VAL 149 Cb -0.36 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2b0f s VAL 149 CO 0.44 0.14 0.86 -0.22 0.00 0.00 0.00 175.10 176.33 2b0f s LEU 150 N 1.96 4.12 0.00 3.92 2.96 0.20 -0.12 118.68 131.72 2b0f s LEU 150 Ca 0.12 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2b0f s LEU 150 Cb -0.16 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.44 2b0f s LEU 150 CO 0.11 -0.99 0.02 0.00 -1.32 0.00 0.00 176.35 174.17 2b0f s ALA 152 N -1.40 -1.38 -0.35 0.00 0.00 0.19 -0.89 121.76 117.93 2b0f s ALA 152 Ca 0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 2b0f s ALA 152 Cb -0.00 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.77 2b0f s ALA 152 CO 0.01 -1.04 2.26 -2.37 0.00 0.00 0.00 175.76 174.62 2b0f n THR 153 N -0.65 0.20 -2.43 0.00 5.66 -1.26 -0.89 114.28 114.91 2b0f n THR 153 Ca -0.04 -0.42 -0.21 0.00 -3.05 0.00 0.00 64.05 60.33 2b0f n THR 153 Cb 0.60 -2.14 -0.01 0.00 -1.55 0.00 0.00 70.33 67.22 2b0f n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b0f n GLY 154 N 6.16 -0.50 2.67 1.09 0.00 -1.26 -4.94 105.19 108.41 2b0f n GLY 154 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 2b0f n GLY 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b0f s LYS 155 N -5.07 0.56 -0.23 1.61 2.47 -0.07 -4.84 119.74 114.16 2b0f s LYS 155 Ca 0.01 -0.91 -0.17 0.00 -1.56 0.00 0.00 55.97 53.35 2b0f s LYS 155 Cb -0.01 -0.90 -0.03 0.00 -1.46 0.00 0.00 37.83 35.43 2b0f s LYS 155 CO 0.02 -1.18 0.44 0.42 0.16 0.00 0.00 175.35 175.21 2b0f s ILE 156 N 1.45 5.15 -0.20 5.43 1.01 -0.39 0.56 121.20 134.20 2b0f s ILE 156 Ca 0.16 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.42 2b0f s ILE 156 Cb -0.17 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 2b0f s ILE 156 CO -0.07 0.18 0.13 0.49 0.00 0.00 0.00 174.94 175.67 2b0f n PHE 157 N 5.00 0.85 -1.80 3.97 3.72 0.08 -2.58 117.46 126.69 2b0f n PHE 157 Ca -0.07 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2b0f n PHE 157 Cb 0.51 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 2b0f n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b0f n GLY 158 N 1.60 -0.53 3.38 1.37 0.00 -0.59 0.34 105.19 110.77 2b0f n GLY 158 Ca -0.37 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2b0f n GLY 158 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2b0f s ILE 159 N -3.53 2.30 -0.34 -0.61 -4.36 -1.09 0.58 121.20 114.16 2b0f s ILE 159 Ca 0.00 -1.52 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 2b0f s ILE 159 Cb 0.00 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.76 2b0f s ILE 159 CO 0.00 0.24 1.15 -2.28 0.24 0.00 0.00 174.94 174.29 2b0f s HIS 160 N -0.94 2.97 -0.14 1.37 5.65 0.20 -0.21 115.29 124.20 2b0f s HIS 160 Ca 0.13 1.04 0.18 0.00 0.25 0.00 0.00 55.06 56.65 2b0f s HIS 160 Cb -0.10 -3.87 -0.24 0.00 -1.18 0.00 0.00 32.58 27.19 2b0f s HIS 160 CO 0.04 -1.10 0.31 1.33 -0.65 0.00 0.00 174.74 174.68 2b0f n VAL 161 N 6.11 1.22 -1.98 0.89 0.24 -0.70 0.07 118.33 124.17 2b0f n VAL 161 Ca 0.13 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2b0f n VAL 161 Cb 0.47 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b0f n GLY 162 N 1.61 1.32 3.63 7.63 0.00 -0.30 -4.79 105.19 114.30 2b0f n GLY 162 Ca -0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2b0f n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b0f s GLY 163 N -0.12 -0.36 -0.34 -0.02 0.00 -1.26 -0.19 107.32 105.02 2b0f s GLY 163 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 2b0f s GLY 163 CO 0.00 0.20 0.17 0.21 0.00 0.00 0.00 173.10 173.69 2b0f s ASN 164 N -2.76 3.43 0.34 1.64 3.84 0.18 -4.86 114.94 116.74 2b0f s ASN 164 Ca 0.12 -1.92 0.00 0.00 0.21 0.00 0.00 52.86 51.27 2b0f s ASN 164 Cb 0.02 -0.58 0.00 0.00 -0.55 0.00 0.00 41.25 40.14 2b0f s ASN 164 CO -0.03 -0.36 0.00 0.61 -2.79 0.00 0.00 177.10 174.53 2b0f n GLY 165 N 4.42 1.15 0.76 1.21 0.00 -1.26 -1.94 105.19 109.53 2b0f n GLY 165 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.45 2b0f n GLY 165 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2b0f n ARG 166 N 0.00 2.83 -5.18 1.61 1.85 -1.26 -4.56 116.66 111.95 2b0f n ARG 166 Ca 0.00 -2.15 -0.30 0.00 -1.00 0.00 0.00 57.85 54.40 2b0f n ARG 166 Cb 0.00 -1.32 -0.16 0.00 -1.05 0.00 0.00 32.46 29.93 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2b0f s GLN 167 N -1.00 2.35 -0.06 2.89 -0.21 -0.82 -0.63 119.66 122.19 2b0f s GLN 167 Ca 0.27 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 54.69 2b0f s GLN 167 Cb 0.14 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 32.08 2b0f s GLN 167 CO 0.19 0.37 0.29 0.20 -2.12 0.00 0.00 175.29 174.21 2b0f s GLY 168 N -0.16 2.33 -0.16 3.09 0.00 0.65 0.48 107.32 113.55 2b0f s GLY 168 Ca -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.30 2b0f s GLY 168 CO 0.03 -0.04 -0.20 -1.36 0.00 0.00 0.00 173.10 171.53 2b0f s PHE 169 N -0.95 2.67 0.37 1.90 0.40 0.73 -2.12 117.98 120.98 2b0f s PHE 169 Ca 0.20 -1.51 0.08 0.00 -0.60 0.00 0.00 56.93 55.10 2b0f s PHE 169 Cb -0.15 -1.85 -0.07 0.00 0.51 0.00 0.00 43.02 41.47 2b0f s PHE 169 CO 0.09 -0.73 -0.03 -1.12 0.70 0.00 0.00 175.22 174.13 2b0f s SER 170 N 1.17 3.61 -0.02 1.36 0.01 -0.64 -1.15 113.70 118.04 2b0f s SER 170 Ca 0.01 -1.30 0.01 0.00 1.31 0.00 0.00 55.95 55.98 2b0f s SER 170 Cb -0.14 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 2b0f s SER 170 CO -0.09 -0.37 -0.02 0.00 0.41 0.00 0.00 173.24 173.16 2b0f s ALA 171 N -2.75 3.20 -0.30 1.44 0.00 0.71 0.11 121.76 124.17 2b0f s ALA 171 Ca 0.34 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2b0f s ALA 171 Cb 0.07 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2b0f s ALA 171 CO 0.17 0.62 1.18 -0.65 0.00 0.00 0.00 175.76 177.08 2b0f s GLN 172 N -1.32 4.02 -1.00 0.00 -0.21 -0.93 -2.67 119.66 117.55 2b0f s GLN 172 Ca 0.17 1.18 -0.15 0.00 0.02 0.00 0.00 55.36 56.58 2b0f s GLN 172 Cb -0.11 -3.79 0.18 0.00 1.00 0.00 0.00 33.01 30.29 2b0f s GLN 172 CO 0.07 -0.97 1.11 -0.51 -2.12 0.00 0.00 175.29 172.87 2b0f s LEU 173 N 3.91 5.65 0.40 2.90 1.02 0.15 -4.95 118.68 127.77 2b0f s LEU 173 Ca 0.50 -2.65 -0.24 0.00 0.02 0.00 0.00 54.13 51.77 2b0f s LEU 173 Cb -0.15 -2.33 -0.09 0.00 0.02 0.00 0.00 46.19 43.65 2b0f s LEU 173 CO 0.18 -0.76 1.02 -0.54 0.02 0.00 0.00 176.35 176.28 2b0f s LYS 174 N 1.25 4.18 0.47 1.70 1.02 -1.25 -3.87 119.74 123.25 2b0f s LYS 174 Ca 0.31 1.43 0.15 0.00 0.02 0.00 0.00 55.97 57.88 2b0f s LYS 174 Cb -0.06 -2.48 1.12 0.00 -0.52 0.00 0.00 37.83 35.89 2b0f s LYS 174 CO -0.07 -0.11 2.06 -0.22 -0.92 0.00 0.00 175.35 176.09 2b0f h LYS 175 N 2.41 0.24 -0.88 1.68 3.64 -1.69 -3.03 116.57 118.93 2b0f h LYS 175 Ca -0.48 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.06 2b0f h LYS 175 Cb 1.21 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.87 2b0f h LYS 175 CO 0.62 0.16 0.45 -0.56 -2.27 0.00 0.00 179.45 177.85 2b0f h GLN 176 N 0.24 0.56 -0.65 1.90 3.07 -1.92 -1.16 115.11 117.16 2b0f h GLN 176 Ca 0.14 -0.03 -0.06 0.00 0.09 0.00 0.00 58.65 58.79 2b0f h GLN 176 Cb 0.26 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.67 2b0f h GLN 176 CO -0.03 0.37 0.17 1.88 0.09 0.00 0.00 178.83 181.32 2b0f h TYR 177 N 0.58 1.04 0.00 0.06 0.05 -1.94 -3.02 116.97 113.74 2b0f h TYR 177 Ca 0.51 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 59.11 2b0f h TYR 177 Cb 0.80 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2b0f h TYR 177 CO -0.09 0.84 -1.38 1.19 -1.05 0.00 0.00 178.16 177.67 2b0f n PHE 178 N -4.26 0.74 0.65 4.88 3.72 -0.94 -3.42 117.46 118.84 2b0f n PHE 178 Ca 0.05 0.23 0.13 0.00 -0.05 0.00 0.00 57.45 57.81 2b0f n PHE 178 Cb 0.23 -0.91 0.34 0.00 -0.94 0.00 0.00 39.48 38.21 2b0f n PHE 178 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2b0f n VAL 179 N -2.66 0.46 0.88 -4.37 3.14 -0.48 -3.45 118.33 111.84 2b0f n VAL 179 Ca -0.05 -0.25 0.09 0.00 -2.96 0.00 0.00 64.34 61.16 2b0f n VAL 179 Cb 0.67 -0.42 -0.09 0.00 -1.06 0.00 0.00 33.84 32.94 2b0f n VAL 179 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2b0f n GLU 180 N -2.14 0.92 -3.70 1.45 1.02 -1.14 -4.83 120.64 112.21 2b0f n GLU 180 Ca 0.05 -0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 2b0f n GLU 180 Cb 0.42 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 2b0f n GLU 180 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2b0f s LYS 181 N -2.70 2.17 0.00 3.49 2.20 -1.22 -5.11 119.74 118.57 2b0f s LYS 181 Ca 0.08 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 53.86 2b0f s LYS 181 Cb 0.14 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2b0f s LYS 181 CO 0.73 -1.12 0.00 0.94 -0.36 0.00 0.00 175.35 175.55