#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 -0.29 -0.06 1.61 0.11 -2.02 -0.74 132.00 130.62 2b0f h PRO 2 Ca 0.00 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.15 2b0f h PRO 2 Cb 0.00 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 2b0f h PRO 2 CO 0.00 -0.19 -0.09 -0.97 -0.21 0.00 0.00 178.00 176.54 2b0f h ASN 3 N -0.30 -0.26 -0.57 -2.05 -0.73 -1.93 0.28 115.58 110.01 2b0f h ASN 3 Ca 0.08 0.05 0.06 0.00 1.87 0.00 0.00 56.30 58.36 2b0f h ASN 3 Cb 0.52 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.18 2b0f h ASN 3 CO -0.61 -0.12 0.28 0.74 -0.37 0.00 0.00 177.43 177.34 2b0f h THR 4 N -0.12 0.91 0.00 -3.57 2.02 -1.91 0.81 112.91 111.04 2b0f h THR 4 Ca 0.05 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 2b0f h THR 4 Cb 0.20 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2b0f h THR 4 CO -0.13 0.10 -0.76 -0.33 0.37 0.00 0.00 175.52 174.77 2b0f h GLU 5 N 0.53 0.00 -0.33 6.66 5.08 -0.93 -2.50 114.58 123.08 2b0f h GLU 5 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2b0f h GLU 5 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2b0f h GLU 5 CO -0.20 0.76 0.01 0.35 -1.00 0.00 0.00 179.01 178.93 2b0f h PHE 6 N 0.00 0.63 -0.43 4.33 3.57 0.08 -2.32 116.94 122.80 2b0f h PHE 6 Ca -0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.40 2b0f h PHE 6 Cb 1.49 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 2b0f h PHE 6 CO 0.00 0.69 0.28 0.00 -2.23 0.00 0.00 178.31 177.05 2b0f h ALA 7 N 0.86 0.55 -0.15 2.41 0.00 -0.81 0.50 119.26 122.62 2b0f h ALA 7 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2b0f h ALA 7 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2b0f h ALA 7 CO 0.02 -0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.47 2b0f h LEU 8 N 0.56 -0.10 -0.52 0.00 7.12 -1.37 0.25 115.31 121.25 2b0f h LEU 8 Ca 0.16 0.04 -0.13 0.00 0.13 0.00 0.00 57.88 58.08 2b0f h LEU 8 Cb -0.04 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 2b0f h LEU 8 CO -0.05 -0.03 -0.23 0.28 -0.13 0.00 0.00 178.44 178.28 2b0f h SER 9 N 0.02 0.99 -0.04 1.25 0.02 -1.20 -3.00 113.55 111.60 2b0f h SER 9 Ca 0.07 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2b0f h SER 9 Cb 0.10 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 2b0f h SER 9 CO -0.14 1.17 0.02 0.25 -1.14 0.00 0.00 176.83 176.99 2b0f h LEU 10 N 0.83 0.05 -0.73 5.07 5.85 0.37 -3.13 115.31 123.62 2b0f h LEU 10 Ca 0.11 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2b0f h LEU 10 Cb 0.80 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 2b0f h LEU 10 CO 0.07 0.14 0.37 0.25 -0.34 0.00 0.00 178.44 178.93 2b0f h LEU 11 N -0.05 0.49 -1.53 2.25 6.46 -0.50 -0.21 115.31 122.22 2b0f h LEU 11 Ca 0.01 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2b0f h LEU 11 Cb 0.10 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2b0f h LEU 11 CO -0.00 0.28 -0.24 0.03 -0.62 0.00 0.00 178.44 177.89 2b0f h ARG 12 N 0.63 0.00 -0.08 1.25 3.08 -1.47 -2.26 114.38 115.53 2b0f h ARG 12 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2b0f h ARG 12 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2b0f h ARG 12 CO -0.27 0.24 0.00 1.63 -1.07 0.00 0.00 179.97 180.50 2b0f n LYS 13 N -4.21 1.65 0.00 0.04 4.01 -1.01 -4.85 118.16 113.78 2b0f n LYS 13 Ca -0.02 -1.33 0.00 0.00 -0.51 0.00 0.00 58.31 56.44 2b0f n LYS 13 Cb 0.29 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 2b0f n LYS 13 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2b0f n ASN 14 N 0.01 0.00 -4.60 4.39 2.85 -0.12 -3.42 115.26 114.37 2b0f n ASN 14 Ca 0.04 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.08 2b0f n ASN 14 Cb 0.23 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.21 2b0f n ASN 14 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2b0f s ILE 15 N -1.00 4.74 0.30 -1.44 1.01 -0.85 -2.89 121.20 121.07 2b0f s ILE 15 Ca 0.00 1.10 0.11 0.00 0.00 0.00 0.00 60.65 61.86 2b0f s ILE 15 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2b0f s ILE 15 CO 0.00 -0.35 -0.16 -0.04 0.00 0.00 0.00 174.94 174.39 2b0f s MET 16 N 3.08 1.75 -0.21 2.79 -1.94 -0.10 -4.66 119.30 120.01 2b0f s MET 16 Ca 0.33 -1.82 -0.17 0.00 -1.71 0.00 0.00 55.69 52.32 2b0f s MET 16 Cb -0.13 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 2b0f s MET 16 CO 0.15 0.26 0.47 0.99 -0.01 0.00 0.00 175.02 176.89 2b0f s THR 17 N -2.54 5.13 -0.36 2.05 2.01 -1.26 0.88 115.64 121.55 2b0f s THR 17 Ca 0.31 0.85 -0.03 0.00 0.31 0.00 0.00 61.69 63.12 2b0f s THR 17 Cb -0.02 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.76 2b0f s THR 17 CO 0.16 0.18 0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 2b0f s ILE 18 N 1.66 3.30 -0.13 1.82 1.01 0.36 0.08 121.20 129.30 2b0f s ILE 18 Ca 0.22 -1.62 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 2b0f s ILE 18 Cb -0.15 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2b0f s ILE 18 CO 0.09 -0.38 1.11 -0.89 0.00 0.00 0.00 174.94 174.87 2b0f s THR 19 N 1.24 4.53 0.16 2.92 2.01 0.12 -1.02 115.64 125.61 2b0f s THR 19 Ca 0.01 1.84 0.01 0.00 0.31 0.00 0.00 61.69 63.86 2b0f s THR 19 Cb -0.21 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.11 2b0f s THR 19 CO -0.02 -0.07 0.03 0.35 -0.69 0.00 0.00 174.62 174.23 2b0f n THR 20 N 4.91 0.00 1.05 -0.82 -2.24 0.11 -3.12 114.28 114.17 2b0f n THR 20 Ca 0.11 -0.87 0.14 0.00 -2.27 0.00 0.00 64.05 61.16 2b0f n THR 20 Cb 0.47 0.26 0.60 0.00 -2.10 0.00 0.00 70.33 69.55 2b0f n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2b0f n SER 21 N -1.56 0.06 -0.05 3.42 7.64 -1.26 -3.48 113.62 118.40 2b0f n SER 21 Ca -0.04 0.34 -0.22 0.00 1.01 0.00 0.00 58.87 59.96 2b0f n SER 21 Cb 0.23 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 2b0f n SER 21 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2b0f n LYS 22 N -1.47 0.69 -3.42 1.43 4.76 -1.26 -5.09 118.16 113.80 2b0f n LYS 22 Ca 0.08 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2b0f n LYS 22 Cb 0.33 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2b0f n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b0f n GLY 23 N 1.81 -1.23 3.31 0.72 0.00 -1.23 -5.10 105.19 103.48 2b0f n GLY 23 Ca -0.34 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.83 2.69 0.44 1.61 2.02 -1.26 0.09 118.70 123.45 2b0f s GLU 24 Ca 0.00 -1.29 0.08 0.00 0.02 0.00 0.00 54.97 53.78 2b0f s GLU 24 Cb 0.00 -3.74 0.01 0.00 0.10 0.00 0.00 34.13 30.50 2b0f s GLU 24 CO 0.00 -0.83 0.54 -0.06 0.02 0.00 0.00 175.26 174.93 2b0f s PHE 25 N 1.47 2.61 -0.38 1.61 0.08 -0.19 -1.05 117.98 122.13 2b0f s PHE 25 Ca 0.02 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.31 2b0f s PHE 25 Cb -0.21 -2.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 2b0f s PHE 25 CO 0.04 -0.42 1.11 0.99 -0.10 0.00 0.00 175.22 176.83 2b0f s THR 26 N -2.43 4.37 -0.38 0.64 2.01 -1.20 -0.49 115.64 118.18 2b0f s THR 26 Ca 0.53 1.52 -0.15 0.00 0.31 0.00 0.00 61.69 63.91 2b0f s THR 26 Cb -0.08 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 67.95 2b0f s THR 26 CO 0.32 -0.70 0.31 -0.83 -0.69 0.00 0.00 174.62 173.03 2b0f s GLY 27 N 2.01 1.96 -0.27 4.40 0.00 0.25 -4.80 107.32 110.89 2b0f s GLY 27 Ca 0.47 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 43.53 2b0f s GLY 27 CO 0.22 0.93 0.40 -2.27 0.00 0.00 0.00 173.10 172.38 2b0f s LEU 28 N 1.82 4.04 -0.09 0.66 2.96 -1.07 -0.92 118.68 126.08 2b0f s LEU 28 Ca 0.08 0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 2b0f s LEU 28 Cb -0.18 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 2b0f s LEU 28 CO 0.11 -0.21 0.59 -0.83 -1.32 0.00 0.00 176.35 174.69 2b0f s GLY 29 N 1.62 2.50 -0.17 7.98 0.00 -1.14 0.01 107.32 118.12 2b0f s GLY 29 Ca 0.16 -0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.72 2b0f s GLY 29 CO 0.10 0.98 -0.07 1.39 0.00 0.00 0.00 173.10 175.49 2b0f n ILE 30 N 3.75 1.46 -3.64 0.90 2.08 0.21 -4.49 119.36 119.63 2b0f n ILE 30 Ca -0.04 0.13 -0.05 0.00 0.56 0.00 0.00 62.75 63.35 2b0f n ILE 30 Cb 0.51 -2.28 -0.06 0.00 -0.75 0.00 0.00 39.64 37.06 2b0f n ILE 30 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 2b0f s HIS 31 N -2.30 -1.12 0.00 1.39 -3.43 -1.05 0.36 115.29 109.14 2b0f s HIS 31 Ca -0.20 2.15 0.00 0.00 -0.80 0.00 0.00 55.06 56.21 2b0f s HIS 31 Cb 0.04 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.86 2b0f s HIS 31 CO 0.34 -0.55 0.00 -3.47 -2.00 0.00 0.00 174.74 169.06 2b0f n ASP 32 N 4.58 0.00 0.00 7.38 2.03 -1.14 -0.43 116.55 128.96 2b0f n ASP 32 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2b0f n ASP 32 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2b0f n ASP 32 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b0f n ARG 33 N 0.00 6.01 -2.56 -0.67 5.12 -1.26 -2.79 116.66 120.51 2b0f n ARG 33 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2b0f n ARG 33 Cb 0.00 -0.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 2b0f n ARG 33 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2b0f s VAL 34 N -1.10 3.74 -0.02 1.55 1.01 0.42 -1.17 120.40 124.84 2b0f s VAL 34 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2b0f s VAL 34 Cb 0.00 -4.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 2b0f s VAL 34 CO 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 175.10 173.10 2b0f s VAL 36 N -0.82 3.45 -0.02 0.00 -7.23 0.10 0.93 120.40 116.81 2b0f s VAL 36 Ca 0.13 -0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2b0f s VAL 36 Cb -0.11 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2b0f s VAL 36 CO 0.03 0.58 0.08 -0.51 -0.31 0.00 0.00 175.10 174.96 2b0f s ILE 37 N -0.51 0.02 0.35 -0.62 2.07 -0.41 -2.59 121.20 119.50 2b0f s ILE 37 Ca 0.07 -0.14 -0.25 0.00 -1.41 0.00 0.00 60.65 58.92 2b0f s ILE 37 Cb -0.12 -0.16 -0.13 0.00 0.13 0.00 0.00 42.46 42.18 2b0f s ILE 37 CO 0.02 -0.08 0.81 -2.65 -1.91 0.00 0.00 174.94 171.14 2b0f n PRO 38 N 2.78 0.96 0.03 3.50 -0.02 -1.26 -1.66 135.00 139.33 2b0f n PRO 38 Ca -0.14 0.34 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 2b0f n PRO 38 Cb 0.59 -1.69 0.10 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.42 1.33 0.00 3.45 2.02 -1.84 -2.84 112.91 116.46 2b0f h THR 39 Ca -0.40 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.02 2b0f h THR 39 Cb 1.37 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2b0f h THR 39 CO 0.57 0.54 0.00 0.00 0.37 0.00 0.00 175.52 177.00 2b0f n HIS 40 N -3.96 0.00 0.10 3.16 1.44 -1.26 -1.21 115.22 113.49 2b0f n HIS 40 Ca -0.02 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.64 2b0f n HIS 40 Cb 0.58 -0.36 0.04 0.00 0.12 0.00 0.00 29.99 30.37 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 2.36 0.69 -6.03 1.59 0.00 -1.86 -3.49 119.26 112.52 2b0f h ALA 41 Ca 0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 53.98 2b0f h ALA 41 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2b0f h ALA 41 CO 0.00 0.93 -0.64 1.04 0.00 0.00 0.00 179.25 180.58 2b0f n GLN 42 N -3.65 -1.64 -1.32 0.00 1.13 -0.35 -4.52 117.38 107.03 2b0f n GLN 42 Ca -0.02 1.31 -0.33 0.00 -1.94 0.00 0.00 57.00 56.02 2b0f n GLN 42 Cb 0.75 -3.97 0.10 0.00 0.11 0.00 0.00 30.24 27.23 2b0f n GLN 42 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2b0f s PRO 43 N -3.57 2.04 0.00 -1.09 0.02 -1.26 -4.79 135.00 126.34 2b0f s PRO 43 Ca 0.09 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2b0f s PRO 43 Cb -0.02 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2b0f s PRO 43 CO 0.82 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 2b0f n GLY 44 N 0.03 0.98 0.07 0.52 0.00 -1.26 -4.97 105.19 100.57 2b0f n GLY 44 Ca 0.12 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.55 2b0f n GLY 44 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b0f h ASP 45 N 0.00 0.00 -5.06 1.61 2.03 -1.96 -3.45 116.42 109.58 2b0f h ASP 45 Ca 0.00 -0.18 -0.16 0.00 -0.73 0.00 0.00 57.03 55.96 2b0f h ASP 45 Cb 0.00 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.33 2b0f h ASP 45 CO 0.00 0.09 -0.69 1.51 -1.03 0.00 0.00 179.24 179.12 2b0f s ASP 46 N -4.40 0.52 0.08 4.15 1.47 -1.26 0.13 116.67 117.35 2b0f s ASP 46 Ca 0.06 -0.83 -0.05 0.00 1.18 0.00 0.00 52.55 52.91 2b0f s ASP 46 Cb 0.13 0.15 -0.02 0.00 -0.34 0.00 0.00 42.92 42.83 2b0f s ASP 46 CO 0.73 -0.48 0.09 0.68 0.68 0.00 0.00 175.17 176.87 2b0f s VAL 47 N -3.03 0.16 -0.39 2.11 -7.23 0.60 -4.92 120.40 107.70 2b0f s VAL 47 Ca 0.00 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.51 2b0f s VAL 47 Cb 0.01 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.46 2b0f s VAL 47 CO -0.06 -0.75 0.24 -0.76 -0.31 0.00 0.00 175.10 173.46 2b0f s LEU 48 N -2.92 4.91 -1.12 1.32 1.43 -1.18 -1.55 118.68 119.58 2b0f s LEU 48 Ca 0.09 -1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 51.87 2b0f s LEU 48 Cb 0.06 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.35 2b0f s LEU 48 CO -0.08 -0.45 1.44 -0.69 0.23 0.00 0.00 176.35 176.80 2b0f s VAL 49 N 1.54 4.43 0.00 -1.59 1.01 0.29 -0.70 120.40 125.38 2b0f s VAL 49 Ca 0.02 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2b0f s VAL 49 Cb -0.20 -4.99 0.00 0.00 0.00 0.00 0.00 36.38 31.18 2b0f s VAL 49 CO 0.06 -1.78 0.00 -3.20 0.00 0.00 0.00 175.10 170.17 2b0f n ASN 50 N 7.43 0.00 0.00 3.32 2.85 0.11 -2.39 115.26 126.58 2b0f n ASN 50 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 2b0f n ASN 50 Cb 0.47 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.03 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 -2.00 1.28 3.59 8.20 0.00 -1.26 -5.06 105.19 109.94 2b0f n GLY 51 Ca 0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 2b0f n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2b0f n GLN 52 N 0.00 1.95 -2.31 1.61 -0.06 -1.01 -4.89 117.38 112.67 2b0f n GLN 52 Ca 0.00 0.56 -0.38 0.00 -2.00 0.00 0.00 57.00 55.18 2b0f n GLN 52 Cb 0.00 -3.13 -0.03 0.00 -4.06 0.00 0.00 30.24 23.02 2b0f n GLN 52 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2b0f s LYS 53 N 6.16 2.98 0.08 3.69 2.47 -1.26 -0.55 119.74 133.31 2b0f s LYS 53 Ca 1.01 -0.15 0.08 0.00 -1.56 0.00 0.00 55.97 55.35 2b0f s LYS 53 Cb -0.40 -4.61 -0.03 0.00 -1.46 0.00 0.00 37.83 31.32 2b0f s LYS 53 CO 0.37 -2.55 -0.22 -1.50 0.16 0.00 0.00 175.35 171.62 2b0f s ILE 54 N 7.37 1.80 0.38 5.43 2.07 -0.60 -4.99 121.20 132.66 2b0f s ILE 54 Ca 0.53 -1.45 0.04 0.00 -1.41 0.00 0.00 60.65 58.36 2b0f s ILE 54 Cb -0.08 -1.60 -0.01 0.00 0.13 0.00 0.00 42.46 40.91 2b0f s ILE 54 CO 0.09 0.07 0.55 -0.13 -1.91 0.00 0.00 174.94 173.61 2b0f s ARG 55 N -1.65 3.09 -0.25 3.50 3.00 -1.26 -0.29 118.95 125.08 2b0f s ARG 55 Ca 0.08 -0.82 -0.20 0.00 0.00 0.00 0.00 55.73 54.80 2b0f s ARG 55 Cb -0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 34.95 32.11 2b0f s ARG 55 CO 0.04 -0.07 0.59 0.08 0.00 0.00 0.00 175.30 175.94 2b0f s VAL 56 N -2.32 5.02 0.04 3.52 1.01 0.12 -4.17 120.40 123.62 2b0f s VAL 56 Ca 0.46 1.06 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 2b0f s VAL 56 Cb -0.10 -3.90 -0.34 0.00 0.00 0.00 0.00 36.38 32.05 2b0f s VAL 56 CO 0.34 0.06 1.04 0.50 0.00 0.00 0.00 175.10 177.04 2b0f h LYS 57 N 7.85 0.48 -2.06 2.72 3.64 -0.21 -3.46 116.57 125.54 2b0f h LYS 57 Ca -0.28 -0.81 -0.01 0.00 -1.27 0.00 0.00 60.65 58.28 2b0f h LYS 57 Cb 1.13 0.30 -0.21 0.00 -0.41 0.00 0.00 32.23 33.04 2b0f h LYS 57 CO 0.76 1.39 0.02 0.34 -2.27 0.00 0.00 179.45 179.68 2b0f s ASP 58 N -7.47 -0.86 -0.26 4.20 2.15 -1.16 -5.01 116.67 108.26 2b0f s ASP 58 Ca -0.08 1.45 -0.03 0.00 0.43 0.00 0.00 52.55 54.33 2b0f s ASP 58 Cb 0.05 1.36 0.03 0.00 -0.30 0.00 0.00 42.92 44.05 2b0f s ASP 58 CO 0.93 -0.24 -0.03 -0.75 -0.17 0.00 0.00 175.17 174.91 2b0f s LYS 59 N 1.29 2.83 -0.31 4.34 2.20 -1.26 -0.04 119.74 128.80 2b0f s LYS 59 Ca -0.07 -0.99 0.02 0.00 -0.36 0.00 0.00 55.97 54.56 2b0f s LYS 59 Cb -0.05 -3.07 0.08 0.00 -1.51 0.00 0.00 37.83 33.27 2b0f s LYS 59 CO -0.14 -0.43 -0.00 -0.47 -0.36 0.00 0.00 175.35 173.95 2b0f s TYR 60 N 1.35 3.46 -0.46 4.03 6.14 0.12 -4.98 117.35 127.01 2b0f s TYR 60 Ca -0.00 -2.45 -0.25 0.00 0.64 0.00 0.00 57.07 55.00 2b0f s TYR 60 Cb -0.17 -2.43 0.03 0.00 0.42 0.00 0.00 41.96 39.81 2b0f s TYR 60 CO -0.03 -0.90 0.93 0.15 0.64 0.00 0.00 175.55 176.34 2b0f s LYS 61 N 1.08 3.54 -0.20 4.97 1.02 -1.26 0.66 119.74 129.54 2b0f s LYS 61 Ca -0.00 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.87 2b0f s LYS 61 Cb -0.20 -3.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 2b0f s LYS 61 CO -0.05 -1.22 1.07 -0.51 -0.92 0.00 0.00 175.35 173.72 2b0f s LEU 62 N 3.75 4.13 0.19 3.17 1.43 0.16 -4.97 118.68 126.55 2b0f s LEU 62 Ca 0.37 1.45 0.10 0.00 -1.03 0.00 0.00 54.13 55.02 2b0f s LEU 62 Cb -0.10 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2b0f s LEU 62 CO 0.26 -0.65 -0.13 0.68 0.23 0.00 0.00 176.35 176.74 2b0f s VAL 63 N 3.05 2.96 0.18 -1.59 -7.23 -1.26 -2.20 120.40 114.31 2b0f s VAL 63 Ca 0.46 -1.80 -0.19 0.00 -1.81 0.00 0.00 61.98 58.64 2b0f s VAL 63 Cb -0.16 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 2b0f s VAL 63 CO 0.09 -0.14 0.67 -0.62 -0.31 0.00 0.00 175.10 174.79 2b0f s ASP 64 N -2.86 7.04 0.47 4.85 -1.08 0.16 -4.70 116.67 120.55 2b0f s ASP 64 Ca 0.24 1.34 0.06 0.00 -0.52 0.00 0.00 52.55 53.68 2b0f s ASP 64 Cb -0.08 -2.39 0.32 0.00 -1.46 0.00 0.00 42.92 39.31 2b0f s ASP 64 CO 0.14 0.10 1.07 -0.65 0.52 0.00 0.00 175.17 176.35 2b0f h PRO 65 N 3.71 0.00 0.00 4.34 0.11 -2.00 0.98 132.00 139.14 2b0f h PRO 65 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2b0f h PRO 65 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2b0f h PRO 65 CO 0.65 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 2b0f n GLU 66 N -2.17 0.57 -1.20 1.05 -0.58 -1.26 -4.80 120.64 112.25 2b0f n GLU 66 Ca -0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2b0f n GLU 66 Cb 0.71 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 2b0f n GLU 66 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2b0f n ASN 67 N -0.96 -3.94 -4.44 1.62 3.02 0.34 -5.02 115.26 105.89 2b0f n ASN 67 Ca 0.12 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 2b0f n ASN 67 Cb 0.06 -2.03 -0.13 0.00 -0.61 0.00 0.00 39.78 37.07 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2b0f s ILE 68 N -2.21 2.67 0.22 2.41 1.01 -1.13 -4.94 121.20 119.23 2b0f s ILE 68 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.05 2b0f s ILE 68 Cb 0.00 -2.13 -0.14 0.00 0.01 0.00 0.00 42.46 40.20 2b0f s ILE 68 CO 0.00 0.30 1.25 -3.20 0.00 0.00 0.00 174.94 173.29 2b0f n ASN 69 N 1.45 1.99 -0.01 3.58 5.15 -1.17 0.36 115.26 126.62 2b0f n ASN 69 Ca -0.16 1.15 0.08 0.00 -0.60 0.00 0.00 54.58 55.05 2b0f n ASN 69 Cb 0.52 -1.33 -0.12 0.00 -0.53 0.00 0.00 39.78 38.33 2b0f n ASN 69 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2b0f n LEU 70 N 1.91 0.26 -0.45 1.20 7.94 -0.93 -0.66 117.00 126.26 2b0f n LEU 70 Ca 0.12 -0.17 -0.06 0.00 -1.11 0.00 0.00 56.01 54.80 2b0f n LEU 70 Cb 0.29 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 2b0f n LEU 70 CO 0.62 0.06 -0.06 1.21 -1.11 0.00 0.00 177.39 178.11 2b0f n GLU 71 N -1.85 -1.02 -3.58 1.96 4.07 -0.97 -4.82 120.64 114.42 2b0f n GLU 71 Ca -0.01 0.60 -0.41 0.00 -0.06 0.00 0.00 57.16 57.28 2b0f n GLU 71 Cb 0.38 -4.54 -0.10 0.00 -0.06 0.00 0.00 31.44 27.12 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 -1.33 5.16 -0.44 4.31 1.43 -1.20 -2.43 118.68 124.18 2b0f s LEU 72 Ca 0.00 -1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 51.43 2b0f s LEU 72 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.24 2b0f s LEU 72 CO 0.00 -0.54 0.74 -0.89 0.23 0.00 0.00 176.35 175.89 2b0f s THR 73 N 1.45 4.71 -0.50 5.49 2.01 -0.66 0.40 115.64 128.54 2b0f s THR 73 Ca 0.03 0.34 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 2b0f s THR 73 Cb -0.23 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.03 2b0f s THR 73 CO 0.03 -0.67 1.09 -0.69 -0.69 0.00 0.00 174.62 173.69 2b0f s VAL 74 N 3.13 4.23 -0.52 3.82 1.01 0.21 -1.29 120.40 130.99 2b0f s VAL 74 Ca 0.27 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 2b0f s VAL 74 Cb -0.13 -4.59 0.12 0.00 0.00 0.00 0.00 36.38 31.78 2b0f s VAL 74 CO 0.21 -1.06 0.46 -0.22 0.00 0.00 0.00 175.10 174.49 2b0f s LEU 75 N 4.39 6.05 -0.60 3.92 2.96 0.26 -0.70 118.68 134.97 2b0f s LEU 75 Ca 0.43 -1.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.28 2b0f s LEU 75 Cb -0.08 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.45 2b0f s LEU 75 CO 0.28 -0.81 1.56 -0.89 -1.32 0.00 0.00 176.35 175.17 2b0f s THR 76 N 1.55 3.61 -0.19 3.68 2.01 0.95 -2.64 115.64 124.61 2b0f s THR 76 Ca 0.04 0.46 -0.07 0.00 0.31 0.00 0.00 61.69 62.42 2b0f s THR 76 Cb -0.29 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2b0f s THR 76 CO 0.02 -1.17 0.06 -0.76 -0.69 0.00 0.00 174.62 172.08 2b0f s LEU 77 N 7.02 3.68 -0.96 4.42 1.43 -0.32 0.56 118.68 134.51 2b0f s LEU 77 Ca 0.55 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 2b0f s LEU 77 Cb -0.12 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.28 2b0f s LEU 77 CO 0.22 0.13 1.20 -0.62 0.23 0.00 0.00 176.35 177.51 2b0f s ASP 78 N 0.64 6.63 -0.09 2.29 2.15 -1.26 -4.50 116.67 122.53 2b0f s ASP 78 Ca 0.03 -1.99 -0.16 0.00 0.43 0.00 0.00 52.55 50.86 2b0f s ASP 78 Cb -0.13 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 2b0f s ASP 78 CO 0.02 -1.13 0.40 -0.60 -0.17 0.00 0.00 175.17 173.69 2b0f s ARG 79 N 3.04 4.15 0.55 4.34 3.52 -1.26 -4.94 118.95 128.34 2b0f s ARG 79 Ca 0.36 0.34 0.25 0.00 -0.13 0.00 0.00 55.73 56.54 2b0f s ARG 79 Cb -0.04 -3.35 1.44 0.00 -1.56 0.00 0.00 34.95 31.44 2b0f s ARG 79 CO -0.09 0.39 2.04 -0.91 -0.81 0.00 0.00 175.30 175.92 2b0f h ASN 80 N 5.93 0.00 -3.50 -2.12 2.35 -1.98 -3.35 115.58 112.92 2b0f h ASN 80 Ca -0.45 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.64 2b0f h ASN 80 Cb 1.19 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.29 2b0f h ASN 80 CO 0.70 0.00 -0.68 -0.70 -1.65 0.00 0.00 177.43 175.10 2b0f s GLU 81 N -4.91 3.31 0.20 0.81 2.12 -1.26 -5.07 118.70 113.90 2b0f s GLU 81 Ca -0.05 -0.68 -0.32 0.00 0.36 0.00 0.00 54.97 54.28 2b0f s GLU 81 Cb 0.18 -3.15 -0.12 0.00 0.26 0.00 0.00 34.13 31.30 2b0f s GLU 81 CO 0.67 -0.27 1.75 0.36 -0.54 0.00 0.00 175.26 177.22 2b0f n LYS 82 N 4.82 2.79 -1.81 4.30 2.85 -1.26 -4.95 118.16 124.91 2b0f n LYS 82 Ca -0.17 1.01 -0.31 0.00 -1.05 0.00 0.00 58.31 57.79 2b0f n LYS 82 Cb 0.50 -2.87 0.03 0.00 -0.65 0.00 0.00 35.03 32.04 2b0f n LYS 82 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2b0f s PHE 83 N 1.43 3.42 -0.16 5.58 -0.12 -1.12 -4.86 117.98 122.16 2b0f s PHE 83 Ca 0.76 1.23 -0.38 0.00 -0.05 0.00 0.00 56.93 58.49 2b0f s PHE 83 Cb -0.50 -2.86 -0.15 0.00 -0.63 0.00 0.00 43.02 38.87 2b0f s PHE 83 CO 0.33 -0.97 1.66 -2.13 -0.05 0.00 0.00 175.22 174.06 2b0f n ARG 84 N -2.92 1.30 -2.37 1.99 3.00 -1.22 -2.87 116.66 113.57 2b0f n ARG 84 Ca 0.07 0.47 -0.37 0.00 -0.00 0.00 0.00 57.85 58.02 2b0f n ARG 84 Cb 0.55 -2.17 -0.03 0.00 0.00 0.00 0.00 32.46 30.81 2b0f n ARG 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2b0f s ASP 85 N 2.78 5.93 -0.18 6.15 2.15 -1.26 -4.33 116.67 127.91 2b0f s ASP 85 Ca 0.94 -0.79 0.12 0.00 0.43 0.00 0.00 52.55 53.26 2b0f s ASP 85 Cb -0.99 -2.56 0.68 0.00 -0.30 0.00 0.00 42.92 39.76 2b0f s ASP 85 CO 0.59 -1.99 1.55 2.30 -0.17 0.00 0.00 175.17 177.44 2b0f n ILE 86 N 7.04 2.21 -0.16 4.11 -5.35 0.16 -4.40 119.36 122.97 2b0f n ILE 86 Ca 0.26 -1.15 0.10 0.00 -0.27 0.00 0.00 62.75 61.69 2b0f n ILE 86 Cb 0.50 -0.25 0.42 0.00 -1.74 0.00 0.00 39.64 38.57 2b0f n ILE 86 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2b0f h ARG 87 N 3.41 0.57 0.00 6.28 2.43 -1.80 0.31 114.38 125.58 2b0f h ARG 87 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2b0f h ARG 87 Cb 1.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2b0f h ARG 87 CO 0.38 0.38 0.00 0.78 -1.51 0.00 0.00 179.97 180.00 2b0f h GLY 88 N 0.59 0.00 1.24 2.80 0.00 -1.91 -2.94 103.07 102.85 2b0f h GLY 88 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2b0f h GLY 88 CO -0.11 0.00 -0.50 0.69 0.00 0.00 0.00 176.54 176.62 2b0f n PHE 89 N -2.50 0.38 -2.16 5.60 3.72 0.06 -4.84 117.46 117.72 2b0f n PHE 89 Ca 0.05 0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 2b0f n PHE 89 Cb 0.43 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.10 3.11 -0.15 4.37 -1.09 -0.97 -1.16 121.20 122.20 2b0f s ILE 90 Ca 0.08 0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 59.25 2b0f s ILE 90 Cb 0.15 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2b0f s ILE 90 CO 0.69 0.12 0.29 -0.44 -1.23 0.00 0.00 174.94 174.37 2b0f s SER 91 N 0.54 6.45 -0.10 3.58 0.01 -1.11 -4.60 113.70 118.46 2b0f s SER 91 Ca 0.59 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 58.22 2b0f s SER 91 Cb -0.38 -2.18 -0.13 0.00 0.21 0.00 0.00 66.02 63.54 2b0f s SER 91 CO 0.37 0.12 0.51 -0.08 0.41 0.00 0.00 173.24 174.57 2b0f h GLU 92 N 6.52 -0.07 -5.34 12.44 4.22 -1.92 -1.67 114.58 128.76 2b0f h GLU 92 Ca -0.42 0.00 -0.62 0.00 0.08 0.00 0.00 59.36 58.41 2b0f h GLU 92 Cb 1.17 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 2b0f h GLU 92 CO 0.74 0.39 -0.51 0.34 -2.18 0.00 0.00 179.01 177.80 2b0f s ASP 93 N -5.75 6.09 -0.02 1.04 2.15 -1.26 -4.68 116.67 114.24 2b0f s ASP 93 Ca -0.10 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.11 2b0f s ASP 93 Cb -0.01 -2.05 -0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2b0f s ASP 93 CO 0.37 0.22 0.03 -0.07 -0.17 0.00 0.00 175.17 175.55 2b0f h LEU 94 N 6.39 -0.01 -3.26 -1.34 3.38 -1.96 -3.49 115.31 115.03 2b0f h LEU 94 Ca -0.42 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.23 2b0f h LEU 94 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2b0f h LEU 94 CO 0.72 0.11 -0.77 1.21 0.09 0.00 0.00 178.44 179.80 2b0f n GLU 95 N -2.66 -1.57 -2.72 1.13 2.13 -1.26 -4.97 120.64 110.71 2b0f n GLU 95 Ca -0.00 1.12 -0.04 0.00 0.66 0.00 0.00 57.16 58.90 2b0f n GLU 95 Cb 0.00 -3.43 0.03 0.00 0.27 0.00 0.00 31.44 28.31 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 -1.45 -1.02 0.13 8.31 0.00 -1.26 -5.01 105.19 104.89 2b0f n GLY 96 Ca -0.18 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 2.58 0.00 -3.67 1.61 3.14 -1.25 -4.34 118.33 116.40 2b0f n VAL 97 Ca 0.14 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.41 2b0f n VAL 97 Cb 0.61 -0.23 -0.11 0.00 -1.06 0.00 0.00 33.84 33.05 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 -1.15 -0.10 0.30 6.55 2.15 -1.22 -1.10 116.67 122.10 2b0f s ASP 98 Ca 0.00 0.85 -0.08 0.00 0.43 0.00 0.00 52.55 53.74 2b0f s ASP 98 Cb 0.00 1.05 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2b0f s ASP 98 CO 0.00 -0.23 0.50 0.00 -0.17 0.00 0.00 175.17 175.27 2b0f s ALA 99 N 2.36 0.21 0.07 3.66 0.00 -1.10 -4.93 121.76 122.03 2b0f s ALA 99 Ca -0.02 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 50.86 2b0f s ALA 99 Cb -0.12 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 2b0f s ALA 99 CO -0.11 -0.83 -0.27 0.99 0.00 0.00 0.00 175.76 175.54 2b0f s THR 100 N -3.40 2.17 -0.16 0.00 2.01 -0.72 -2.55 115.64 112.99 2b0f s THR 100 Ca 0.26 -1.49 0.01 0.00 0.31 0.00 0.00 61.69 60.78 2b0f s THR 100 Cb -0.01 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.65 2b0f s THR 100 CO 0.14 0.29 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.94 2b0f s LEU 101 N -1.47 2.07 -0.21 4.42 0.20 0.18 -0.65 118.68 123.22 2b0f s LEU 101 Ca 0.12 -0.61 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 2b0f s LEU 101 Cb -0.10 -1.43 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 2b0f s LEU 101 CO 0.03 0.02 -0.04 0.68 -0.29 0.00 0.00 176.35 176.76 2b0f s VAL 102 N 1.13 3.50 -0.16 1.68 -7.23 0.74 -0.61 120.40 119.45 2b0f s VAL 102 Ca 0.00 -0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 2b0f s VAL 102 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2b0f s VAL 102 CO -0.09 0.43 0.12 -0.69 -0.31 0.00 0.00 175.10 174.57 2b0f s VAL 103 N 1.28 5.37 -0.45 1.32 1.01 -0.38 -0.07 120.40 128.48 2b0f s VAL 103 Ca 0.03 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2b0f s VAL 103 Cb -0.14 -3.40 0.24 0.00 0.00 0.00 0.00 36.38 33.08 2b0f s VAL 103 CO -0.01 0.52 0.55 1.57 0.00 0.00 0.00 175.10 177.73 2b0f n HIS 104 N 2.83 0.45 -4.55 5.22 -0.00 -1.19 -1.06 115.22 116.92 2b0f n HIS 104 Ca -0.18 -3.67 -0.26 0.00 -0.00 0.00 0.00 57.72 53.61 2b0f n HIS 104 Cb 0.53 -0.35 -0.09 0.00 -0.00 0.00 0.00 29.99 30.09 2b0f n HIS 104 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2b0f s SER 105 N -1.35 2.97 0.54 0.26 0.01 0.10 -3.23 113.70 113.00 2b0f s SER 105 Ca 0.36 -1.57 0.32 0.00 1.31 0.00 0.00 55.95 56.37 2b0f s SER 105 Cb 0.15 0.30 1.24 0.00 0.21 0.00 0.00 66.02 67.92 2b0f s SER 105 CO -0.10 -0.80 1.94 -0.55 0.41 0.00 0.00 173.24 174.14 2b0f h ASN 106 N 1.80 0.00 0.52 2.44 -1.07 -1.44 -2.82 115.58 115.01 2b0f h ASN 106 Ca -0.39 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 55.69 2b0f h ASN 106 Cb 1.27 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.50 2b0f h ASN 106 CO 0.65 0.00 -1.51 0.78 0.07 0.00 0.00 177.43 177.42 2b0f h ASN 107 N 0.00 0.27 -2.99 6.14 2.35 -1.80 -3.42 115.58 116.12 2b0f h ASN 107 Ca -0.00 -0.39 -0.57 0.00 -0.55 0.00 0.00 56.30 54.79 2b0f h ASN 107 Cb 0.57 -0.09 -0.40 0.00 0.05 0.00 0.00 38.32 38.46 2b0f h ASN 107 CO 0.00 1.33 -0.78 -0.36 -1.65 0.00 0.00 177.43 175.97 2b0f s PHE 108 N -2.62 1.14 -0.59 1.19 0.40 -1.08 -5.04 117.98 111.38 2b0f s PHE 108 Ca -0.07 -1.53 -0.22 0.00 -0.60 0.00 0.00 56.93 54.51 2b0f s PHE 108 Cb 0.07 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.31 2b0f s PHE 108 CO 0.84 -0.84 0.87 0.95 0.70 0.00 0.00 175.22 177.74 2b0f s THR 109 N 1.54 4.49 -0.69 0.64 -4.23 -1.12 -0.72 115.64 115.55 2b0f s THR 109 Ca 0.12 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2b0f s THR 109 Cb -0.19 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 69.11 2b0f s THR 109 CO -0.22 -1.20 0.67 0.59 -0.54 0.00 0.00 174.62 173.92 2b0f n ASN 110 N 7.22 -7.66 -4.12 3.99 3.02 -0.66 -4.99 115.26 112.05 2b0f n ASN 110 Ca -0.03 -0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.17 2b0f n ASN 110 Cb 0.46 -5.21 -0.15 0.00 -0.61 0.00 0.00 39.78 34.27 2b0f n ASN 110 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2b0f s THR 111 N -2.96 2.50 -0.54 3.41 2.01 -0.23 -4.96 115.64 114.87 2b0f s THR 111 Ca 0.02 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 60.39 2b0f s THR 111 Cb -0.01 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 70.16 2b0f s THR 111 CO 0.73 0.04 0.90 -0.63 -0.69 0.00 0.00 174.62 174.97 2b0f s ILE 112 N 1.20 4.46 -0.14 1.82 1.09 -1.26 -1.25 121.20 127.11 2b0f s ILE 112 Ca -0.05 0.20 0.01 0.00 -1.10 0.00 0.00 60.65 59.70 2b0f s ILE 112 Cb -0.19 -4.50 -0.00 0.00 -1.06 0.00 0.00 42.46 36.71 2b0f s ILE 112 CO -0.05 -1.06 -0.16 -0.22 -0.10 0.00 0.00 174.94 173.35 2b0f s LEU 113 N 3.76 2.45 -0.07 2.97 0.20 0.22 -4.99 118.68 123.23 2b0f s LEU 113 Ca 0.29 -0.46 -0.26 0.00 0.69 0.00 0.00 54.13 54.39 2b0f s LEU 113 Cb -0.13 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2b0f s LEU 113 CO 0.19 0.12 0.83 -1.61 -0.29 0.00 0.00 176.35 175.58 2b0f s GLU 114 N 0.63 4.45 -0.11 1.98 8.01 -1.26 0.51 118.70 132.91 2b0f s GLU 114 Ca -0.09 1.11 0.19 0.00 0.01 0.00 0.00 54.97 56.19 2b0f s GLU 114 Cb -0.16 -3.48 -0.28 0.00 -4.31 0.00 0.00 34.13 25.90 2b0f s GLU 114 CO 0.03 -0.07 0.26 1.33 0.01 0.00 0.00 175.26 176.82 2b0f n VAL 115 N 4.04 0.64 0.00 2.63 0.24 -1.06 -4.91 118.33 119.92 2b0f n VAL 115 Ca 0.03 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2b0f n VAL 115 Cb 0.51 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 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 1.57 1.54 3.58 7.63 0.00 -1.17 -3.90 105.19 114.44 2b0f n GLY 116 Ca -0.17 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2b0f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b0f s PRO 117 N 0.00 2.72 -0.30 1.61 0.04 -1.21 -2.72 135.00 135.13 2b0f s PRO 117 Ca 0.00 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2b0f s PRO 117 Cb 0.00 -4.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.08 2b0f s PRO 117 CO 0.00 -2.58 0.33 0.08 0.04 0.00 0.00 177.00 174.87 2b0f s VAL 118 N 9.61 5.20 0.18 -0.36 1.01 -0.26 -3.33 120.40 132.45 2b0f s VAL 118 Ca 0.92 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2b0f s VAL 118 Cb -0.23 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2b0f s VAL 118 CO 0.30 0.09 0.08 0.42 0.00 0.00 0.00 175.10 175.98 2b0f s THR 119 N 1.98 0.25 -0.21 3.92 -4.23 0.46 -3.92 115.64 113.89 2b0f s THR 119 Ca 0.12 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2b0f s THR 119 Cb -0.16 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2b0f s THR 119 CO 0.11 -0.23 0.07 -0.04 -0.54 0.00 0.00 174.62 173.99 2b0f s MET 120 N -4.06 3.85 -0.21 3.99 -1.94 -1.26 0.14 119.30 119.81 2b0f s MET 120 Ca 0.32 -0.40 -0.21 0.00 -1.71 0.00 0.00 55.69 53.68 2b0f s MET 120 Cb 0.07 -3.26 -0.19 0.00 2.01 0.00 0.00 34.83 33.45 2b0f s MET 120 CO 0.08 0.09 0.23 0.00 -0.01 0.00 0.00 175.02 175.41 2b0f h ALA 121 N 7.31 0.26 0.00 3.03 0.00 -1.25 -3.46 119.26 125.16 2b0f h ALA 121 Ca -0.37 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.34 2b0f h ALA 121 Cb 1.17 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2b0f h ALA 121 CO 0.65 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2b0f n GLY 122 N 1.45 0.77 3.46 0.00 0.00 -1.04 -4.94 105.19 104.90 2b0f n GLY 122 Ca -0.32 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 2b0f n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b0f s LEU 123 N 0.00 4.98 0.00 0.99 1.02 -1.26 -1.84 118.68 122.56 2b0f s LEU 123 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 54.13 53.39 2b0f s LEU 123 Cb 0.00 -2.41 -0.02 0.00 0.02 0.00 0.00 46.19 43.78 2b0f s LEU 123 CO 0.00 -0.71 0.21 2.30 0.02 0.00 0.00 176.35 178.17 2b0f n ILE 124 N 5.50 0.00 -3.98 -0.59 -5.35 -0.98 -5.03 119.36 108.93 2b0f n ILE 124 Ca -0.07 -1.89 -0.36 0.00 -0.27 0.00 0.00 62.75 60.16 2b0f n ILE 124 Cb 0.46 0.92 -0.08 0.00 -1.74 0.00 0.00 39.64 39.20 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 -2.83 5.98 -0.35 7.28 0.01 -1.26 -1.43 114.94 122.34 2b0f s ASN 125 Ca 0.29 0.29 -0.01 0.00 -0.71 0.00 0.00 52.86 52.73 2b0f s ASN 125 Cb 0.01 -1.93 0.09 0.00 0.41 0.00 0.00 41.25 39.83 2b0f s ASN 125 CO 0.21 0.32 0.10 -0.76 -1.51 0.00 0.00 177.10 175.46 2b0f s LEU 126 N -0.52 4.64 -1.68 0.60 2.01 0.15 -4.57 118.68 119.31 2b0f s LEU 126 Ca 0.11 -1.77 -0.01 0.00 0.01 0.00 0.00 54.13 52.48 2b0f s LEU 126 Cb -0.12 -1.75 0.00 0.00 0.01 0.00 0.00 46.19 44.34 2b0f s LEU 126 CO 0.02 -0.41 0.13 -0.24 1.01 0.00 0.00 176.35 176.86 2b0f n SER 127 N 4.54 -5.81 0.00 2.29 2.88 -1.26 -0.52 113.62 115.74 2b0f n SER 127 Ca -0.05 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2b0f n SER 127 Cb 0.42 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 59.09 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 -1.97 -0.88 -4.54 -3.46 7.64 -1.26 -5.01 113.62 104.14 2b0f n SER 128 Ca -0.21 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.27 2b0f n SER 128 Cb 0.67 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 -3.41 5.27 -0.10 0.44 2.01 0.32 -5.01 115.64 115.16 2b0f s THR 129 Ca 0.00 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2b0f s THR 129 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 2b0f s THR 129 CO 0.00 -0.00 2.08 -2.65 -0.69 0.00 0.00 174.62 173.36 2b0f n PRO 130 N 5.14 2.34 -4.60 4.92 -0.02 -1.26 0.34 135.00 141.86 2b0f n PRO 130 Ca -0.12 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 61.91 2b0f n PRO 130 Cb 0.50 -3.05 -0.15 0.00 -0.02 0.00 0.00 33.50 30.78 2b0f n PRO 130 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b0f s THR 131 N 6.20 1.19 0.31 3.45 2.01 -0.52 -3.04 115.64 125.25 2b0f s THR 131 Ca 0.95 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 62.29 2b0f s THR 131 Cb -0.44 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2b0f s THR 131 CO 0.40 0.24 -0.08 0.21 -0.69 0.00 0.00 174.62 174.70 2b0f s ASN 132 N -0.61 3.93 -0.23 3.53 2.47 0.16 -2.32 114.94 121.87 2b0f s ASN 132 Ca 0.05 -1.01 0.00 0.00 0.42 0.00 0.00 52.86 52.31 2b0f s ASN 132 Cb -0.06 -0.45 0.00 0.00 -1.45 0.00 0.00 41.25 39.28 2b0f s ASN 132 CO 0.00 -0.11 0.00 0.54 -3.72 0.00 0.00 177.10 173.81 2b0f n ARG 133 N -0.80 -0.16 -2.38 0.43 3.00 -0.77 -4.67 116.66 111.30 2b0f n ARG 133 Ca -0.05 0.44 -0.42 0.00 -0.01 0.00 0.00 57.85 57.81 2b0f n ARG 133 Cb 0.61 -4.05 -0.03 0.00 0.00 0.00 0.00 32.46 29.00 2b0f n ARG 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2b0f s MET 134 N -2.76 4.40 -0.09 5.56 -1.94 -1.00 -2.16 119.30 121.32 2b0f s MET 134 Ca 0.00 1.81 -0.17 0.00 -1.71 0.00 0.00 55.69 55.62 2b0f s MET 134 Cb 0.00 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 2b0f s MET 134 CO 0.00 -0.31 0.45 0.42 -0.01 0.00 0.00 175.02 175.57 2b0f s ILE 135 N 1.25 5.14 -0.17 2.53 1.01 0.19 -0.71 121.20 130.44 2b0f s ILE 135 Ca 0.59 0.92 -0.05 0.00 0.00 0.00 0.00 60.65 62.11 2b0f s ILE 135 Cb -0.30 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2b0f s ILE 135 CO 0.28 0.40 -0.00 -0.60 0.00 0.00 0.00 174.94 175.02 2b0f s ARG 136 N 0.16 3.76 0.02 2.79 3.52 0.36 -1.56 118.95 128.00 2b0f s ARG 136 Ca 0.25 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 2b0f s ARG 136 Cb -0.16 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.19 2b0f s ARG 136 CO 0.11 0.22 -0.10 1.52 -0.81 0.00 0.00 175.30 176.25 2b0f s TYR 137 N 0.45 0.84 -0.72 5.12 1.13 -0.83 -0.40 117.35 122.93 2b0f s TYR 137 Ca -0.01 -0.26 -0.25 0.00 -1.41 0.00 0.00 57.07 55.13 2b0f s TYR 137 Cb -0.14 -0.52 0.05 0.00 -1.10 0.00 0.00 41.96 40.25 2b0f s TYR 137 CO 0.02 -0.01 1.17 0.34 -2.51 0.00 0.00 175.55 174.56 2b0f s ASP 138 N -0.71 6.18 -0.29 -0.18 2.15 -1.21 0.24 116.67 122.85 2b0f s ASP 138 Ca 0.00 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 52.13 2b0f s ASP 138 Cb -0.06 -2.51 0.16 0.00 -0.30 0.00 0.00 42.92 40.21 2b0f s ASP 138 CO 0.00 -1.68 1.00 -0.47 -0.17 0.00 0.00 175.17 173.85 2b0f s TYR 139 N 5.08 -0.58 -0.22 -5.34 5.04 -0.32 -4.74 117.35 116.27 2b0f s TYR 139 Ca 0.31 1.10 -0.28 0.00 -2.44 0.00 0.00 57.07 55.75 2b0f s TYR 139 Cb -0.11 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.51 2b0f s TYR 139 CO 0.12 -0.29 2.09 0.00 -1.34 0.00 0.00 175.55 176.13 2b0f s ALA 140 N 1.75 2.84 0.13 3.97 0.00 -1.19 -3.48 121.76 125.77 2b0f s ALA 140 Ca -0.06 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.67 2b0f s ALA 140 Cb -0.04 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 2b0f s ALA 140 CO -0.16 -2.64 -0.07 0.95 0.00 0.00 0.00 175.76 173.84 2b0f s THR 141 N 7.62 3.45 0.02 0.00 -4.23 -0.27 -4.99 115.64 117.24 2b0f s THR 141 Ca 0.94 -1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2b0f s THR 141 Cb -0.31 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 2b0f s THR 141 CO 0.35 0.03 0.08 -0.54 -0.54 0.00 0.00 174.62 174.00 2b0f s LYS 142 N -2.47 0.47 0.80 3.99 1.02 -1.26 -4.41 119.74 117.87 2b0f s LYS 142 Ca 0.23 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.49 2b0f s LYS 142 Cb -0.10 0.19 -0.14 0.00 -0.52 0.00 0.00 37.83 37.25 2b0f s LYS 142 CO 0.15 -0.11 -0.56 2.41 -0.92 0.00 0.00 175.35 176.32 2b0f n THR 143 N 1.27 0.00 0.00 2.17 -1.04 -1.26 -3.05 114.28 112.37 2b0f n THR 143 Ca -0.22 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2b0f n THR 143 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 3.01 3.31 0.40 3.41 0.00 -1.26 -4.84 105.19 109.22 2b0f n GLY 144 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2b0f n GLY 144 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2b0f n GLN 145 N -1.85 1.53 -2.01 1.61 7.27 -1.17 -4.52 117.38 118.24 2b0f n GLN 145 Ca 0.00 -0.79 -0.40 0.00 0.07 0.00 0.00 57.00 55.89 2b0f n GLN 145 Cb 0.00 -1.41 -0.00 0.00 2.41 0.00 0.00 30.24 31.24 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2b0f n GLY 147 N 0.65 2.93 3.59 0.00 0.00 -0.15 -4.37 105.19 107.84 2b0f n GLY 147 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.00 0.07 3.66 -0.02 0.00 -1.20 -4.39 105.19 102.31 2b0f n GLY 148 Ca 0.00 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.39 5.00 -0.45 1.61 1.01 0.90 0.18 120.40 128.26 2b0f s VAL 149 Ca 0.69 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 2b0f s VAL 149 Cb -0.78 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 31.67 2b0f s VAL 149 CO 0.54 0.09 0.60 -0.22 0.00 0.00 0.00 175.10 176.10 2b0f s LEU 150 N 2.03 4.69 0.17 3.92 2.96 0.10 -0.18 118.68 132.38 2b0f s LEU 150 Ca 0.29 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2b0f s LEU 150 Cb -0.16 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 2b0f s LEU 150 CO 0.10 -0.77 0.27 0.00 -1.32 0.00 0.00 176.35 174.63 2b0f s ALA 152 N -4.00 2.61 -0.42 0.00 0.00 0.24 -1.76 121.76 118.44 2b0f s ALA 152 Ca 0.20 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 2b0f s ALA 152 Cb 0.04 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2b0f s ALA 152 CO 0.02 -0.31 1.88 -0.08 0.00 0.00 0.00 175.76 177.27 2b0f s THR 153 N -3.27 3.38 0.00 0.00 -1.32 -1.26 -2.07 115.64 111.11 2b0f s THR 153 Ca 0.31 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 2b0f s THR 153 Cb 0.06 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2b0f s THR 153 CO 0.14 -0.50 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 2b0f n GLY 154 N 5.56 0.68 2.67 6.08 0.00 -1.26 -4.98 105.19 113.95 2b0f n GLY 154 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.05 0.27 -0.14 1.61 2.20 -0.88 -4.73 119.74 118.01 2b0f s LYS 155 Ca 0.00 -0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.48 2b0f s LYS 155 Cb 0.00 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.71 2b0f s LYS 155 CO 0.00 -0.56 0.07 0.42 -0.36 0.00 0.00 175.35 174.92 2b0f s ILE 156 N 2.05 4.85 -0.23 5.43 1.01 -0.31 0.80 121.20 134.80 2b0f s ILE 156 Ca 0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 2b0f s ILE 156 Cb -0.15 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 2b0f s ILE 156 CO -0.07 0.53 -0.34 0.49 0.00 0.00 0.00 174.94 175.55 2b0f n PHE 157 N 2.83 0.05 -2.21 3.97 3.01 -0.46 -2.76 117.46 121.90 2b0f n PHE 157 Ca -0.18 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2b0f n PHE 157 Cb 0.53 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 2b0f n PHE 157 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b0f n GLY 158 N 1.37 -0.61 3.25 1.37 0.00 -1.03 -0.17 105.19 109.36 2b0f n GLY 158 Ca -0.33 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.30 1.59 -0.12 -0.61 -4.36 -1.15 0.02 121.20 113.27 2b0f s ILE 159 Ca 0.00 -1.37 -0.29 0.00 -0.26 0.00 0.00 60.65 58.73 2b0f s ILE 159 Cb 0.00 -1.43 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2b0f s ILE 159 CO 0.00 0.01 1.82 -2.28 0.24 0.00 0.00 174.94 174.73 2b0f s HIS 160 N -1.03 1.70 -0.14 1.37 5.65 0.47 -1.82 115.29 121.50 2b0f s HIS 160 Ca 0.05 0.20 0.14 0.00 0.25 0.00 0.00 55.06 55.71 2b0f s HIS 160 Cb -0.09 -4.03 -0.20 0.00 -1.18 0.00 0.00 32.58 27.08 2b0f s HIS 160 CO 0.03 -4.02 0.09 0.28 -0.65 0.00 0.00 174.74 170.47 2b0f n VAL 161 N 6.21 0.96 0.00 0.89 0.31 -0.97 -0.98 118.33 124.75 2b0f n VAL 161 Ca 0.21 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2b0f n VAL 161 Cb 0.44 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b0f n GLY 162 N 1.97 -0.81 0.00 2.92 0.00 -0.29 -4.90 105.19 104.08 2b0f n GLY 162 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2b0f n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b0f n GLY 163 N 0.00 -0.20 2.55 -0.02 0.00 -1.26 -0.32 105.19 105.94 2b0f n GLY 163 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 2b0f n GLY 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b0f s ASN 164 N 0.00 2.88 1.15 1.61 3.84 0.24 -4.80 114.94 119.86 2b0f s ASN 164 Ca 0.00 -2.71 0.00 0.00 0.21 0.00 0.00 52.86 50.36 2b0f s ASN 164 Cb 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 41.25 40.00 2b0f s ASN 164 CO 0.00 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 2b0f n GLY 165 N 3.38 0.91 0.03 1.21 0.00 -1.26 -1.75 105.19 107.71 2b0f n GLY 165 Ca 0.17 0.42 0.13 0.00 0.00 0.00 0.00 46.02 46.74 2b0f n GLY 165 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2b0f n ARG 166 N 0.00 0.08 -4.45 1.61 0.00 -1.26 -1.12 116.66 111.52 2b0f n ARG 166 Ca 0.00 0.05 -0.31 0.00 -0.00 0.00 0.00 57.85 57.59 2b0f n ARG 166 Cb 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 32.46 30.77 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2b0f s GLN 167 N -3.04 2.32 0.09 -0.14 1.11 -0.71 -1.17 119.66 118.12 2b0f s GLN 167 Ca 0.12 -0.87 0.03 0.00 0.01 0.00 0.00 55.36 54.65 2b0f s GLN 167 Cb 0.17 -2.37 -0.04 0.00 -1.01 0.00 0.00 33.01 29.76 2b0f s GLN 167 CO 0.60 0.56 0.10 0.20 0.01 0.00 0.00 175.29 176.75 2b0f s GLY 168 N -1.64 1.98 -0.09 3.09 0.00 0.14 0.83 107.32 111.63 2b0f s GLY 168 Ca 0.18 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2b0f s GLY 168 CO 0.09 -1.02 -0.03 -1.36 0.00 0.00 0.00 173.10 170.78 2b0f s PHE 169 N -1.45 1.05 0.15 1.90 0.08 0.57 -1.96 117.98 118.32 2b0f s PHE 169 Ca 0.30 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.98 2b0f s PHE 169 Cb -0.12 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2b0f s PHE 169 CO 0.23 -0.42 -0.09 0.45 -0.10 0.00 0.00 175.22 175.29 2b0f s SER 170 N 1.85 4.34 -0.03 1.36 0.15 -0.60 -1.14 113.70 119.63 2b0f s SER 170 Ca 0.05 -0.49 -0.18 0.00 0.70 0.00 0.00 55.95 56.03 2b0f s SER 170 Cb -0.13 -0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 63.35 2b0f s SER 170 CO -0.07 0.13 0.51 0.00 1.20 0.00 0.00 173.24 175.01 2b0f s ALA 171 N -1.51 3.55 -0.33 5.45 0.00 -0.75 0.55 121.76 128.72 2b0f s ALA 171 Ca 0.24 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2b0f s ALA 171 Cb -0.10 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2b0f s ALA 171 CO 0.15 0.22 1.37 -1.14 0.00 0.00 0.00 175.76 176.35 2b0f s GLN 172 N -0.26 3.80 -1.19 0.00 0.74 -0.92 -2.92 119.66 118.91 2b0f s GLN 172 Ca 0.27 1.19 -0.18 0.00 0.05 0.00 0.00 55.36 56.69 2b0f s GLN 172 Cb -0.17 -3.94 0.09 0.00 1.10 0.00 0.00 33.01 30.09 2b0f s GLN 172 CO 0.14 -1.28 1.56 -0.51 -0.55 0.00 0.00 175.29 174.65 2b0f s LEU 173 N 4.79 4.13 -0.21 3.68 1.02 0.76 -4.95 118.68 127.90 2b0f s LEU 173 Ca 0.59 -2.32 -0.28 0.00 0.02 0.00 0.00 54.13 52.14 2b0f s LEU 173 Cb -0.17 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.52 2b0f s LEU 173 CO 0.27 -1.14 0.99 -0.75 0.02 0.00 0.00 176.35 175.73 2b0f s LYS 174 N 3.69 4.28 0.36 1.70 2.20 -1.26 -4.15 119.74 126.56 2b0f s LYS 174 Ca 0.48 1.28 0.21 0.00 -0.36 0.00 0.00 55.97 57.58 2b0f s LYS 174 Cb 0.01 -3.62 1.33 0.00 -1.51 0.00 0.00 37.83 34.04 2b0f s LYS 174 CO 0.01 -0.54 1.55 1.17 -0.36 0.00 0.00 175.35 177.18 2b0f n LYS 175 N 5.98 -0.06 -0.24 4.03 4.81 -0.63 -2.14 118.16 129.92 2b0f n LYS 175 Ca 0.10 1.36 -0.01 0.00 -0.87 0.00 0.00 58.31 58.89 2b0f n LYS 175 Cb 0.47 -2.44 0.06 0.00 0.02 0.00 0.00 35.03 33.14 2b0f n LYS 175 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2b0f h GLN 176 N 0.00 -0.04 0.00 1.64 4.20 -1.92 0.23 115.11 119.22 2b0f h GLN 176 Ca 0.84 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.55 2b0f h GLN 176 Cb 2.22 0.01 0.00 0.00 0.30 0.00 0.00 27.48 30.01 2b0f h GLN 176 CO -0.75 -0.03 0.00 1.88 -0.67 0.00 0.00 178.83 179.26 2b0f h TYR 177 N -0.05 0.00 0.00 2.96 0.05 -1.85 -2.16 116.97 115.92 2b0f h TYR 177 Ca 0.31 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.76 2b0f h TYR 177 Cb 0.53 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.21 2b0f h TYR 177 CO -0.60 0.00 -2.21 1.19 -1.05 0.00 0.00 178.16 175.50 2b0f n PHE 178 N -3.09 0.25 0.19 4.88 3.72 -0.15 -3.27 117.46 119.98 2b0f n PHE 178 Ca 0.00 0.09 0.10 0.00 -0.05 0.00 0.00 57.45 57.59 2b0f n PHE 178 Cb 0.29 -1.03 0.12 0.00 -0.94 0.00 0.00 39.48 37.92 2b0f n PHE 178 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2b0f h VAL 179 N 0.00 0.14 0.00 -4.37 3.04 -0.55 -3.23 116.25 111.28 2b0f h VAL 179 Ca -0.47 -1.21 -0.12 0.00 -1.01 0.00 0.00 66.70 63.89 2b0f h VAL 179 Cb 2.15 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 33.41 2b0f h VAL 179 CO 0.04 0.08 -1.56 -0.62 -1.01 0.00 0.00 177.57 174.50 2b0f n GLU 180 N -3.06 0.63 -2.69 4.17 1.02 -0.82 -4.80 120.64 115.09 2b0f n GLU 180 Ca 0.03 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 2b0f n GLU 180 Cb 0.57 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.08 3.91 0.00 3.49 2.36 -1.20 -5.10 119.74 120.12 2b0f s LYS 181 Ca -0.04 0.79 0.25 0.00 -2.55 0.00 0.00 55.97 54.41 2b0f s LYS 181 Cb 0.10 -3.80 0.31 0.00 -1.05 0.00 0.00 37.83 33.39 2b0f s LYS 181 CO 0.83 -1.02 1.33 1.04 1.55 0.00 0.00 175.35 179.08