#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 0.16 -0.08 1.61 0.11 -2.03 0.12 132.00 131.89 2b0f h PRO 2 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2b0f h PRO 2 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2b0f h PRO 2 CO 0.00 0.11 -0.05 -0.97 -0.21 0.00 0.00 178.00 176.88 2b0f h ASN 3 N 0.17 0.18 0.56 -2.05 -1.24 -1.97 -1.13 115.58 110.09 2b0f h ASN 3 Ca 0.16 -0.44 -0.10 0.00 0.71 0.00 0.00 56.30 56.64 2b0f h ASN 3 Cb 0.41 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 2b0f h ASN 3 CO -0.02 0.57 -0.46 0.74 -1.29 0.00 0.00 177.43 176.97 2b0f h THR 4 N -0.22 1.23 -0.00 -3.57 2.02 -1.89 -2.10 112.91 108.38 2b0f h THR 4 Ca 0.02 -1.63 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 2b0f h THR 4 Cb 0.51 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2b0f h THR 4 CO 0.01 0.45 0.00 -0.08 0.37 0.00 0.00 175.52 176.28 2b0f h GLU 5 N 0.00 0.00 -0.33 6.66 4.22 -0.63 -0.65 114.58 123.86 2b0f h GLU 5 Ca -0.00 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2b0f h GLU 5 Cb 0.87 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2b0f h GLU 5 CO 0.06 0.08 0.16 0.35 -2.18 0.00 0.00 179.01 177.48 2b0f h PHE 6 N -0.08 0.30 0.14 0.92 3.57 -1.02 -0.11 116.94 120.66 2b0f h PHE 6 Ca 0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2b0f h PHE 6 Cb 0.08 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2b0f h PHE 6 CO -0.05 0.17 -0.20 0.00 -2.23 0.00 0.00 178.31 176.00 2b0f h ALA 7 N 1.17 -0.35 0.00 2.41 0.00 -1.21 0.31 119.26 121.59 2b0f h ALA 7 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2b0f h ALA 7 Cb 0.04 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2b0f h ALA 7 CO -0.09 -0.73 -0.16 1.25 0.00 0.00 0.00 179.25 179.52 2b0f h LEU 8 N -0.39 0.00 0.02 0.00 5.85 -1.01 -1.38 115.31 118.39 2b0f h LEU 8 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2b0f h LEU 8 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2b0f h LEU 8 CO -0.09 0.16 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.88 2b0f h SER 9 N 0.00 -0.02 -0.62 1.25 0.87 -0.46 -3.06 113.55 111.51 2b0f h SER 9 Ca -0.00 -0.74 0.05 0.00 -1.23 0.00 0.00 61.79 59.87 2b0f h SER 9 Cb 0.56 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 2b0f h SER 9 CO 0.02 0.78 0.34 0.25 -0.53 0.00 0.00 176.83 177.69 2b0f h LEU 10 N -0.87 0.51 -0.31 2.23 5.85 -0.29 -0.16 115.31 122.27 2b0f h LEU 10 Ca -0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2b0f h LEU 10 Cb 0.76 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2b0f h LEU 10 CO 0.00 0.34 -0.07 0.25 -0.34 0.00 0.00 178.44 178.62 2b0f h LEU 11 N 0.64 -0.27 -0.21 2.25 5.85 -1.35 0.20 115.31 122.41 2b0f h LEU 11 Ca 0.27 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.93 2b0f h LEU 11 Cb 0.15 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2b0f h LEU 11 CO -0.17 -0.10 -0.76 0.03 -0.34 0.00 0.00 178.44 177.11 2b0f h ARG 12 N 0.01 0.00 0.00 1.25 3.08 -1.37 -2.74 114.38 114.61 2b0f h ARG 12 Ca 0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2b0f h ARG 12 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2b0f h ARG 12 CO -0.32 0.76 -0.71 0.87 -1.07 0.00 0.00 179.97 179.50 2b0f h LYS 13 N 0.00 0.00 -0.04 0.04 1.57 -0.74 -3.42 116.57 113.98 2b0f h LYS 13 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2b0f h LYS 13 Cb 1.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2b0f h LYS 13 CO 0.10 0.74 0.00 0.09 -0.57 0.00 0.00 179.45 179.81 2b0f n ASN 14 N -4.54 1.71 -4.61 0.86 4.13 0.03 -4.79 115.26 108.06 2b0f n ASN 14 Ca -0.20 -1.40 -0.34 0.00 1.68 0.00 0.00 54.58 54.32 2b0f n ASN 14 Cb 0.50 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.61 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 -0.61 4.38 -0.09 2.41 -1.09 -1.03 -1.57 121.20 123.60 2b0f s ILE 15 Ca 0.08 -0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.17 2b0f s ILE 15 Cb 0.05 -2.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 2b0f s ILE 15 CO 0.08 0.52 0.37 -0.32 -1.23 0.00 0.00 174.94 174.35 2b0f s MET 16 N -0.02 0.55 -0.25 2.79 1.75 -0.97 -4.61 119.30 118.54 2b0f s MET 16 Ca 0.04 0.25 -0.29 0.00 -1.25 0.00 0.00 55.69 54.44 2b0f s MET 16 Cb -0.13 0.26 -0.02 0.00 2.84 0.00 0.00 34.83 37.78 2b0f s MET 16 CO 0.02 -0.11 1.66 0.99 -0.65 0.00 0.00 175.02 176.93 2b0f s THR 17 N -0.41 3.63 -0.41 10.11 2.01 -1.26 -0.84 115.64 128.47 2b0f s THR 17 Ca -0.05 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 2b0f s THR 17 Cb -0.03 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2b0f s THR 17 CO 0.02 -0.33 0.27 -0.63 -0.69 0.00 0.00 174.62 173.26 2b0f s ILE 18 N 5.62 4.86 -0.23 1.82 1.01 0.23 0.06 121.20 134.56 2b0f s ILE 18 Ca 0.74 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 2b0f s ILE 18 Cb -0.24 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2b0f s ILE 18 CO 0.31 -0.34 0.43 -0.89 0.00 0.00 0.00 174.94 174.45 2b0f s THR 19 N 1.59 5.15 0.00 2.92 2.01 0.10 -0.77 115.64 126.64 2b0f s THR 19 Ca 0.03 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2b0f s THR 19 Cb -0.20 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2b0f s THR 19 CO 0.07 0.18 0.00 1.07 -0.69 0.00 0.00 174.62 175.25 2b0f n THR 20 N 4.76 0.00 -0.26 -0.82 5.66 0.11 -1.07 114.28 122.66 2b0f n THR 20 Ca -0.07 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.98 2b0f n THR 20 Cb 0.51 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.47 2b0f n THR 20 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2b0f h SER 21 N 0.00 0.27 -0.03 1.09 0.02 -1.69 -0.05 113.55 113.17 2b0f h SER 21 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2b0f h SER 21 Cb 0.00 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2b0f h SER 21 CO 0.00 0.10 0.00 1.17 -1.14 0.00 0.00 176.83 176.96 2b0f n LYS 22 N -5.01 1.37 0.00 3.45 4.81 -0.76 -5.02 118.16 117.00 2b0f n LYS 22 Ca 0.14 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 2b0f n LYS 22 Cb 0.42 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.02 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 1.06 0.26 3.72 3.14 0.00 -0.03 -5.02 105.19 108.32 2b0f n GLY 23 Ca 0.20 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 4.38 0.12 1.61 2.02 -1.26 0.08 118.70 125.65 2b0f s GLU 24 Ca 0.00 0.66 0.04 0.00 0.02 0.00 0.00 54.97 55.69 2b0f s GLU 24 Cb 0.00 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 2b0f s GLU 24 CO 0.00 0.09 -0.11 -0.06 0.02 0.00 0.00 175.26 175.21 2b0f s PHE 25 N 0.77 1.20 -0.45 1.61 0.40 0.05 -0.14 117.98 121.41 2b0f s PHE 25 Ca 0.31 -0.69 -0.28 0.00 -0.60 0.00 0.00 56.93 55.68 2b0f s PHE 25 Cb -0.16 -0.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.73 2b0f s PHE 25 CO 0.14 0.06 1.58 0.99 0.70 0.00 0.00 175.22 178.69 2b0f s THR 26 N -2.78 3.68 -0.52 0.64 2.01 -1.22 -0.60 115.64 116.85 2b0f s THR 26 Ca 0.11 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 2b0f s THR 26 Cb -0.01 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.47 2b0f s THR 26 CO 0.01 -0.78 0.92 -0.83 -0.69 0.00 0.00 174.62 173.25 2b0f s GLY 27 N 5.20 1.44 -0.62 4.40 0.00 -0.02 -4.77 107.32 112.94 2b0f s GLY 27 Ca 0.65 -1.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 2b0f s GLY 27 CO 0.30 2.02 0.74 -2.27 0.00 0.00 0.00 173.10 173.89 2b0f s LEU 28 N 3.83 5.39 -0.09 0.66 0.20 -1.09 -2.30 118.68 125.28 2b0f s LEU 28 Ca 0.32 -1.50 -0.30 0.00 0.69 0.00 0.00 54.13 53.34 2b0f s LEU 28 Cb -0.12 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.30 2b0f s LEU 28 CO 0.21 -1.11 1.27 -0.83 -0.29 0.00 0.00 176.35 175.61 2b0f s GLY 29 N 3.57 1.87 -0.10 7.98 0.00 -0.61 -0.51 107.32 119.52 2b0f s GLY 29 Ca 0.13 0.61 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 2b0f s GLY 29 CO 0.05 2.40 0.32 -2.22 0.00 0.00 0.00 173.10 173.65 2b0f h ILE 30 N 5.21 0.56 -1.74 0.90 1.08 -0.97 -3.44 117.51 119.12 2b0f h ILE 30 Ca -0.32 -1.36 0.10 0.00 -0.39 0.00 0.00 64.86 62.90 2b0f h ILE 30 Cb 1.14 1.05 -0.21 0.00 -3.07 0.00 0.00 36.82 35.73 2b0f h ILE 30 CO 0.92 0.19 0.56 -1.38 -0.69 0.00 0.00 178.15 177.74 2b0f s HIS 31 N -1.99 -0.34 0.00 1.37 -3.43 -1.11 -1.53 115.29 108.26 2b0f s HIS 31 Ca -0.07 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2b0f s HIS 31 Cb -0.01 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 2b0f s HIS 31 CO 0.24 -0.38 0.00 -3.47 -2.00 0.00 0.00 174.74 169.13 2b0f n ASP 32 N 0.42 0.00 -0.01 7.38 2.03 -0.25 -0.70 116.55 125.41 2b0f n ASP 32 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2b0f n ASP 32 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 1.18 -4.55 -0.67 1.85 -1.26 -0.43 116.66 112.78 2b0f n ARG 33 Ca 0.00 -0.92 -0.33 0.00 -1.00 0.00 0.00 57.85 55.60 2b0f n ARG 33 Cb 0.00 -0.70 -0.13 0.00 -1.05 0.00 0.00 32.46 30.58 2b0f n ARG 33 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2b0f s VAL 34 N -0.42 3.63 0.11 8.89 0.11 0.12 -2.07 120.40 130.77 2b0f s VAL 34 Ca 0.00 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2b0f s VAL 34 Cb 0.00 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 2b0f s VAL 34 CO 0.00 0.52 -0.10 0.00 -3.33 0.00 0.00 175.10 172.20 2b0f s VAL 36 N -2.73 3.36 -0.04 0.00 -7.23 0.33 -0.35 120.40 113.73 2b0f s VAL 36 Ca 0.08 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.59 2b0f s VAL 36 Cb -0.01 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2b0f s VAL 36 CO -0.00 0.59 0.12 -0.51 -0.31 0.00 0.00 175.10 174.99 2b0f s ILE 37 N -0.75 0.01 0.70 -0.62 2.07 -0.87 -2.68 121.20 119.07 2b0f s ILE 37 Ca 0.12 -0.12 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 2b0f s ILE 37 Cb -0.11 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 2b0f s ILE 37 CO 0.01 -0.06 0.63 -2.65 -1.91 0.00 0.00 174.94 170.96 2b0f n PRO 38 N 2.77 0.39 0.09 3.50 -0.02 -1.26 -0.92 135.00 139.54 2b0f n PRO 38 Ca -0.14 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 2b0f n PRO 38 Cb 0.59 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.25 1.37 0.00 3.45 2.02 -1.83 -3.12 112.91 114.55 2b0f h THR 39 Ca -0.46 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.14 2b0f h THR 39 Cb 1.35 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.41 2b0f h THR 39 CO 0.44 0.77 0.00 0.00 0.37 0.00 0.00 175.52 177.11 2b0f n HIS 40 N -3.72 0.52 0.27 3.16 1.44 -1.26 -1.26 115.22 114.37 2b0f n HIS 40 Ca -0.10 0.22 0.16 0.00 -2.01 0.00 0.00 57.72 55.99 2b0f n HIS 40 Cb 0.94 -0.86 0.71 0.00 0.12 0.00 0.00 29.99 30.91 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 2.24 1.03 -5.24 1.59 0.00 -1.91 -3.45 119.26 113.52 2b0f h ALA 41 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2b0f h ALA 41 Cb 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2b0f h ALA 41 CO 0.00 0.06 -0.08 1.04 0.00 0.00 0.00 179.25 180.28 2b0f n GLN 42 N -3.20 -1.33 -2.48 0.00 6.02 -0.39 -1.83 117.38 114.18 2b0f n GLN 42 Ca -0.00 1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 57.96 2b0f n GLN 42 Cb 0.29 -5.54 -0.03 0.00 1.02 0.00 0.00 30.24 25.98 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 -3.12 4.48 0.00 -1.09 0.02 -1.26 -3.38 135.00 130.65 2b0f s PRO 43 Ca 0.04 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2b0f s PRO 43 Cb -0.01 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2b0f s PRO 43 CO 0.71 -0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.63 2b0f n GLY 44 N 2.92 1.92 0.10 0.52 0.00 -1.26 -5.01 105.19 104.38 2b0f n GLY 44 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 2b0f n GLY 44 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b0f h ASP 45 N 0.00 0.00 -3.54 1.61 3.58 -1.96 -3.44 116.42 112.66 2b0f h ASP 45 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2b0f h ASP 45 Cb 0.00 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 40.76 2b0f h ASP 45 CO 0.00 0.64 -0.54 1.51 -2.88 0.00 0.00 179.24 177.97 2b0f s ASP 46 N -6.02 -0.17 0.20 2.28 -4.77 -1.26 -0.60 116.67 106.32 2b0f s ASP 46 Ca -0.01 0.37 0.08 0.00 -3.30 0.00 0.00 52.55 49.68 2b0f s ASP 46 Cb 0.08 0.30 -0.05 0.00 -1.09 0.00 0.00 42.92 42.17 2b0f s ASP 46 CO 0.80 -0.12 -0.16 0.68 0.70 0.00 0.00 175.17 177.07 2b0f s VAL 47 N 0.80 1.78 -0.56 2.11 -7.23 -0.33 -4.95 120.40 112.02 2b0f s VAL 47 Ca -0.06 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 57.84 2b0f s VAL 47 Cb -0.07 -1.99 0.14 0.00 0.56 0.00 0.00 36.38 35.01 2b0f s VAL 47 CO -0.04 -0.51 0.49 -0.76 -0.31 0.00 0.00 175.10 173.97 2b0f s LEU 48 N -3.14 6.12 -0.57 1.32 1.43 -0.24 -0.68 118.68 122.93 2b0f s LEU 48 Ca 0.21 -1.94 -0.21 0.00 -1.03 0.00 0.00 54.13 51.16 2b0f s LEU 48 Cb -0.02 -2.16 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2b0f s LEU 48 CO 0.07 -0.78 0.77 -0.69 0.23 0.00 0.00 176.35 175.95 2b0f s VAL 49 N 1.35 4.67 -1.37 -1.59 1.01 0.47 0.03 120.40 124.97 2b0f s VAL 49 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2b0f s VAL 49 Cb -0.27 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.65 2b0f s VAL 49 CO 0.01 -1.07 0.00 -3.20 0.00 0.00 0.00 175.10 170.83 2b0f n ASN 50 N 6.74 -4.54 0.00 3.32 5.15 0.11 -1.67 115.26 124.37 2b0f n ASN 50 Ca -0.05 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2b0f n ASN 50 Cb 0.45 -3.49 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 2b0f n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b0f n GLY 51 N -1.13 3.43 3.63 8.20 0.00 -1.25 -5.02 105.19 113.05 2b0f n GLY 51 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2b0f n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b0f s GLN 52 N -0.87 3.99 -0.42 1.61 1.11 -0.67 -4.92 119.66 119.49 2b0f s GLN 52 Ca 0.00 1.12 -0.29 0.00 0.01 0.00 0.00 55.36 56.20 2b0f s GLN 52 Cb 0.00 -3.80 0.01 0.00 -1.01 0.00 0.00 33.01 28.21 2b0f s GLN 52 CO 0.00 -1.01 1.43 0.21 0.01 0.00 0.00 175.29 175.94 2b0f s LYS 53 N 3.89 3.53 -0.02 2.91 2.20 -1.26 -0.39 119.74 130.59 2b0f s LYS 53 Ca 0.50 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 2b0f s LYS 53 Cb -0.14 -4.05 -0.02 0.00 -1.51 0.00 0.00 37.83 32.12 2b0f s LYS 53 CO 0.19 -1.63 -0.24 -1.50 -0.36 0.00 0.00 175.35 171.81 2b0f s ILE 54 N 5.60 1.93 0.40 5.43 2.07 0.14 -4.97 121.20 131.81 2b0f s ILE 54 Ca 0.61 -1.04 -0.12 0.00 -1.41 0.00 0.00 60.65 58.69 2b0f s ILE 54 Cb -0.14 -1.60 -0.07 0.00 0.13 0.00 0.00 42.46 40.78 2b0f s ILE 54 CO 0.32 0.55 0.79 -0.13 -1.91 0.00 0.00 174.94 174.56 2b0f s ARG 55 N -0.56 3.85 0.32 3.50 3.00 -1.26 -1.19 118.95 126.60 2b0f s ARG 55 Ca 0.09 0.57 -0.28 0.00 0.00 0.00 0.00 55.73 56.12 2b0f s ARG 55 Cb -0.10 -2.36 -0.09 0.00 0.00 0.00 0.00 34.95 32.40 2b0f s ARG 55 CO -0.01 -0.03 1.10 0.54 0.00 0.00 0.00 175.30 176.91 2b0f s VAL 56 N -2.33 3.46 -0.26 3.52 0.11 0.23 -4.53 120.40 120.60 2b0f s VAL 56 Ca 0.53 1.38 -0.03 0.00 -2.93 0.00 0.00 61.98 60.93 2b0f s VAL 56 Cb -0.10 -3.84 -0.16 0.00 -1.53 0.00 0.00 36.38 30.75 2b0f s VAL 56 CO 0.28 0.25 -0.26 1.17 -3.33 0.00 0.00 175.10 173.22 2b0f n LYS 57 N 0.81 0.63 -3.57 1.54 3.00 0.15 -4.95 118.16 115.77 2b0f n LYS 57 Ca 0.01 0.18 -0.01 0.00 -0.00 0.00 0.00 58.31 58.49 2b0f n LYS 57 Cb 0.46 -1.51 -0.04 0.00 0.00 0.00 0.00 35.03 33.93 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 -6.80 -1.08 -0.36 3.14 2.15 0.05 -5.00 116.67 108.77 2b0f s ASP 58 Ca -0.36 1.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.97 2b0f s ASP 58 Cb 0.11 2.18 0.07 0.00 -0.30 0.00 0.00 42.92 44.98 2b0f s ASP 58 CO 0.57 -0.23 0.13 -0.75 -0.17 0.00 0.00 175.17 174.72 2b0f s LYS 59 N 2.86 2.40 -0.29 4.34 2.20 -1.26 -0.21 119.74 129.78 2b0f s LYS 59 Ca -0.01 -1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 54.17 2b0f s LYS 59 Cb -0.13 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2b0f s LYS 59 CO -0.19 -0.81 -0.03 -0.47 -0.36 0.00 0.00 175.35 173.49 2b0f s TYR 60 N 1.29 3.25 -0.53 4.03 5.04 -0.25 -4.96 117.35 125.22 2b0f s TYR 60 Ca 0.01 -1.94 -0.28 0.00 -2.44 0.00 0.00 57.07 52.42 2b0f s TYR 60 Cb -0.21 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.04 2b0f s TYR 60 CO -0.00 -0.81 1.47 0.15 -1.34 0.00 0.00 175.55 175.02 2b0f s LYS 61 N 1.23 3.28 -0.30 4.97 1.02 -1.26 0.47 119.74 129.14 2b0f s LYS 61 Ca -0.06 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.23 2b0f s LYS 61 Cb -0.20 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 2b0f s LYS 61 CO -0.02 -1.95 1.31 -1.17 -0.92 0.00 0.00 175.35 172.60 2b0f s LEU 62 N 6.27 3.87 0.25 3.17 2.96 0.17 -4.94 118.68 130.42 2b0f s LEU 62 Ca 0.56 1.19 0.07 0.00 -0.22 0.00 0.00 54.13 55.73 2b0f s LEU 62 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2b0f s LEU 62 CO 0.26 -1.10 0.21 0.68 -1.32 0.00 0.00 176.35 175.08 2b0f s VAL 63 N 4.44 4.53 0.47 1.68 -7.23 -1.26 -2.71 120.40 120.32 2b0f s VAL 63 Ca 0.57 -1.36 -0.21 0.00 -1.81 0.00 0.00 61.98 59.17 2b0f s VAL 63 Cb -0.17 -3.45 -0.09 0.00 0.56 0.00 0.00 36.38 33.24 2b0f s VAL 63 CO 0.24 -0.34 1.04 -0.62 -0.31 0.00 0.00 175.10 175.11 2b0f s ASP 64 N -3.84 6.42 0.62 4.85 2.15 0.17 -4.70 116.67 122.34 2b0f s ASP 64 Ca 0.33 1.96 0.26 0.00 0.43 0.00 0.00 52.55 55.54 2b0f s ASP 64 Cb -0.08 -2.57 1.29 0.00 -0.30 0.00 0.00 42.92 41.26 2b0f s ASP 64 CO 0.25 -0.73 1.72 1.55 -0.17 0.00 0.00 175.17 177.79 2b0f h PRO 65 N 1.77 0.00 -0.93 4.34 0.13 -2.00 0.25 132.00 135.57 2b0f h PRO 65 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2b0f h PRO 65 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2b0f h PRO 65 CO 0.60 0.00 0.11 0.39 -0.23 0.00 0.00 178.00 178.86 2b0f n GLU 66 N -3.32 1.82 -4.04 0.86 -0.58 -1.26 -4.87 120.64 109.24 2b0f n GLU 66 Ca 0.08 -0.99 -0.43 0.00 -0.42 0.00 0.00 57.16 55.40 2b0f n GLU 66 Cb 0.79 -1.56 0.02 0.00 -0.57 0.00 0.00 31.44 30.11 2b0f n GLU 66 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2b0f n ASN 67 N 0.09 -4.22 -4.07 1.62 2.04 0.89 -5.00 115.26 106.61 2b0f n ASN 67 Ca 0.14 -1.25 -0.09 0.00 -0.44 0.00 0.00 54.58 52.94 2b0f n ASN 67 Cb 0.72 -1.58 -0.11 0.00 -2.53 0.00 0.00 39.78 36.28 2b0f n ASN 67 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2b0f s ILE 68 N -3.42 0.32 0.21 1.53 -1.09 -1.21 -4.97 121.20 112.57 2b0f s ILE 68 Ca 0.40 -1.46 -0.32 0.00 -2.23 0.00 0.00 60.65 57.04 2b0f s ILE 68 Cb -0.22 -1.05 -0.13 0.00 -1.58 0.00 0.00 42.46 39.48 2b0f s ILE 68 CO 0.96 -0.74 1.61 -3.20 -1.23 0.00 0.00 174.94 172.35 2b0f n ASN 69 N 0.72 3.48 -0.03 3.58 5.15 -1.21 0.45 115.26 127.40 2b0f n ASN 69 Ca -0.18 1.09 0.04 0.00 -0.60 0.00 0.00 54.58 54.93 2b0f n ASN 69 Cb 0.58 -1.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.19 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 3.27 0.00 0.00 1.20 7.94 -1.14 -0.90 117.00 127.37 2b0f n LEU 70 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 2b0f n LEU 70 Cb 0.32 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2b0f n LEU 70 CO 0.64 0.12 0.00 1.21 -1.11 0.00 0.00 177.39 178.24 2b0f n GLU 71 N -2.26 0.00 -3.45 1.96 4.07 -1.10 -4.84 120.64 115.03 2b0f n GLU 71 Ca -0.10 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.57 2b0f n GLU 71 Cb 0.63 -2.81 -0.10 0.00 -0.06 0.00 0.00 31.44 29.10 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 5.14 -0.52 4.31 2.01 -1.19 -2.35 118.68 126.07 2b0f s LEU 72 Ca 0.00 -0.92 -0.25 0.00 0.01 0.00 0.00 54.13 52.97 2b0f s LEU 72 Cb 0.00 -2.17 0.03 0.00 0.01 0.00 0.00 46.19 44.06 2b0f s LEU 72 CO 0.00 -0.47 0.96 -0.89 1.01 0.00 0.00 176.35 176.96 2b0f s THR 73 N 1.70 4.39 -0.60 5.49 2.01 -0.10 0.45 115.64 128.98 2b0f s THR 73 Ca 0.05 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.30 2b0f s THR 73 Cb -0.19 -4.52 -0.00 0.00 0.01 0.00 0.00 72.50 67.80 2b0f s THR 73 CO 0.10 -1.03 1.66 -0.69 -0.69 0.00 0.00 174.62 173.97 2b0f s VAL 74 N 3.97 3.52 -0.55 3.82 1.01 0.18 -2.05 120.40 130.30 2b0f s VAL 74 Ca 0.34 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 2b0f s VAL 74 Cb -0.11 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.20 2b0f s VAL 74 CO 0.23 -1.08 0.53 -0.22 0.00 0.00 0.00 175.10 174.55 2b0f s LEU 75 N 7.67 6.01 -0.25 3.92 2.96 0.53 -1.09 118.68 138.43 2b0f s LEU 75 Ca 0.60 -1.70 -0.14 0.00 -0.22 0.00 0.00 54.13 52.67 2b0f s LEU 75 Cb -0.12 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2b0f s LEU 75 CO 0.22 -0.89 0.32 -0.89 -1.32 0.00 0.00 176.35 173.78 2b0f s THR 76 N 1.80 5.23 0.25 3.68 2.01 0.71 -1.72 115.64 127.60 2b0f s THR 76 Ca 0.05 0.47 0.12 0.00 0.31 0.00 0.00 61.69 62.64 2b0f s THR 76 Cb -0.29 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2b0f s THR 76 CO 0.04 0.22 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.22 2b0f s LEU 77 N 1.71 2.55 -1.23 4.42 2.01 -0.88 -0.68 118.68 126.58 2b0f s LEU 77 Ca 0.13 -0.99 -0.19 0.00 0.01 0.00 0.00 54.13 53.10 2b0f s LEU 77 Cb -0.15 -1.10 0.07 0.00 0.01 0.00 0.00 46.19 45.02 2b0f s LEU 77 CO 0.09 0.05 1.66 -0.62 1.01 0.00 0.00 176.35 178.54 2b0f s ASP 78 N -3.29 6.78 -0.29 2.29 2.15 -1.26 -4.72 116.67 118.33 2b0f s ASP 78 Ca 0.27 -2.27 -0.29 0.00 0.43 0.00 0.00 52.55 50.69 2b0f s ASP 78 Cb -0.06 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 2b0f s ASP 78 CO 0.13 -1.21 1.08 -0.60 -0.17 0.00 0.00 175.17 174.40 2b0f s ARG 79 N 4.22 4.11 -0.03 4.34 6.06 -1.26 -4.94 118.95 131.45 2b0f s ARG 79 Ca 0.52 1.17 -0.23 0.00 -2.50 0.00 0.00 55.73 54.69 2b0f s ARG 79 Cb 0.03 -3.72 -0.17 0.00 0.06 0.00 0.00 34.95 31.15 2b0f s ARG 79 CO 0.04 -0.84 1.03 -0.91 -2.50 0.00 0.00 175.30 172.12 2b0f h ASN 80 N 7.99 -0.20 -1.72 -2.12 4.21 -1.93 -3.37 115.58 118.45 2b0f h ASN 80 Ca -0.21 -0.33 -0.64 0.00 1.21 0.00 0.00 56.30 56.33 2b0f h ASN 80 Cb 1.06 0.05 -0.14 0.00 -1.12 0.00 0.00 38.32 38.18 2b0f h ASN 80 CO 1.02 0.29 1.19 -0.70 -1.29 0.00 0.00 177.43 177.94 2b0f s GLU 81 N -3.87 3.60 0.47 0.81 2.12 -1.26 -4.98 118.70 115.59 2b0f s GLU 81 Ca -0.14 -1.44 -0.25 0.00 0.36 0.00 0.00 54.97 53.51 2b0f s GLU 81 Cb 0.01 -5.15 -0.08 0.00 0.26 0.00 0.00 34.13 29.17 2b0f s GLU 81 CO 0.52 -2.00 1.42 0.15 -0.54 0.00 0.00 175.26 174.81 2b0f s LYS 82 N 3.88 3.57 0.35 4.30 1.02 -1.26 -4.99 119.74 126.61 2b0f s LYS 82 Ca 0.40 2.41 -0.19 0.00 0.02 0.00 0.00 55.97 58.60 2b0f s LYS 82 Cb -0.02 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.61 2b0f s LYS 82 CO -0.10 -0.91 0.84 -0.06 -0.92 0.00 0.00 175.35 174.21 2b0f s PHE 83 N -1.21 3.42 0.40 3.18 0.08 0.43 -4.85 117.98 119.43 2b0f s PHE 83 Ca 0.63 1.45 -0.25 0.00 0.12 0.00 0.00 56.93 58.89 2b0f s PHE 83 Cb -0.44 -2.71 -0.08 0.00 -0.57 0.00 0.00 43.02 39.22 2b0f s PHE 83 CO 0.55 0.06 1.16 0.50 -0.10 0.00 0.00 175.22 177.40 2b0f s ARG 84 N -2.83 4.04 -1.13 0.44 6.06 -1.26 -1.09 118.95 123.17 2b0f s ARG 84 Ca 0.55 1.82 -0.22 0.00 -2.50 0.00 0.00 55.73 55.38 2b0f s ARG 84 Cb -0.11 -2.65 -0.03 0.00 0.06 0.00 0.00 34.95 32.21 2b0f s ARG 84 CO 0.17 -0.33 1.85 -0.51 -2.50 0.00 0.00 175.30 173.98 2b0f s ASP 85 N -1.17 5.55 -0.02 -2.12 1.11 -1.26 -4.13 116.67 114.63 2b0f s ASP 85 Ca 0.58 -1.59 0.08 0.00 0.18 0.00 0.00 52.55 51.80 2b0f s ASP 85 Cb -0.30 -2.58 0.26 0.00 1.07 0.00 0.00 42.92 41.37 2b0f s ASP 85 CO 0.38 -2.48 1.16 2.30 1.18 0.00 0.00 175.17 177.70 2b0f n ILE 86 N 7.46 0.51 0.30 0.77 -5.35 -0.58 -4.01 119.36 118.47 2b0f n ILE 86 Ca 0.44 -0.40 0.19 0.00 -0.27 0.00 0.00 62.75 62.70 2b0f n ILE 86 Cb 0.47 0.06 0.89 0.00 -1.74 0.00 0.00 39.64 39.32 2b0f n ILE 86 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2b0f h ARG 87 N 1.60 0.00 0.00 6.28 0.11 -1.84 -1.71 114.38 118.82 2b0f h ARG 87 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2b0f h ARG 87 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2b0f h ARG 87 CO 0.04 0.00 -0.34 0.78 0.10 0.00 0.00 179.97 180.55 2b0f h GLY 88 N 1.22 0.00 1.55 0.08 0.00 -1.94 -2.68 103.07 101.30 2b0f h GLY 88 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2b0f h GLY 88 CO 0.00 0.00 -0.55 0.74 0.00 0.00 0.00 176.54 176.73 2b0f h PHE 89 N 0.00 0.00 -2.67 5.60 0.04 -1.58 -3.44 116.94 114.89 2b0f h PHE 89 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.22 2b0f h PHE 89 Cb 0.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 2b0f h PHE 89 CO 0.00 0.11 1.03 0.42 -0.60 0.00 0.00 178.31 179.28 2b0f s ILE 90 N -3.21 3.50 0.08 -0.55 1.01 -1.01 -0.71 121.20 120.31 2b0f s ILE 90 Ca 0.03 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.47 2b0f s ILE 90 Cb 0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2b0f s ILE 90 CO 0.73 -0.04 -0.11 -0.44 0.00 0.00 0.00 174.94 175.09 2b0f s SER 91 N 2.94 4.35 -0.14 3.58 0.01 -1.14 -4.21 113.70 119.09 2b0f s SER 91 Ca 0.72 -0.36 0.09 0.00 1.31 0.00 0.00 55.95 57.71 2b0f s SER 91 Cb -0.34 -0.84 -0.23 0.00 0.21 0.00 0.00 66.02 64.81 2b0f s SER 91 CO 0.29 0.20 0.29 -1.84 0.41 0.00 0.00 173.24 172.60 2b0f n GLU 92 N 0.94 0.68 -3.61 12.44 0.28 -1.26 -2.56 120.64 127.54 2b0f n GLU 92 Ca -0.14 0.18 -0.40 0.00 -0.16 0.00 0.00 57.16 56.63 2b0f n GLU 92 Cb 0.52 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 2b0f n GLU 92 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2b0f s ASP 93 N -6.15 5.62 -0.01 -1.84 2.15 -1.26 -4.84 116.67 110.34 2b0f s ASP 93 Ca -0.14 -1.44 -0.23 0.00 0.43 0.00 0.00 52.55 51.17 2b0f s ASP 93 Cb 0.07 -1.98 -0.14 0.00 -0.30 0.00 0.00 42.92 40.57 2b0f s ASP 93 CO 0.78 -0.51 1.04 -0.07 -0.17 0.00 0.00 175.17 176.24 2b0f h LEU 94 N 8.39 -0.48 0.35 -1.34 3.38 -1.96 -3.46 115.31 120.18 2b0f h LEU 94 Ca -0.23 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 2b0f h LEU 94 Cb 1.08 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2b0f h LEU 94 CO 0.74 -0.08 -0.11 -1.84 0.09 0.00 0.00 178.44 177.24 2b0f n GLU 95 N -5.19 -1.78 -3.21 1.13 0.28 -1.26 -4.85 120.64 105.77 2b0f n GLU 95 Ca -0.09 0.60 -0.30 0.00 -0.16 0.00 0.00 57.16 57.20 2b0f n GLU 95 Cb 0.29 -4.75 -0.05 0.00 1.43 0.00 0.00 31.44 28.35 2b0f n GLU 95 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b0f n GLY 96 N 0.41 5.13 0.00 -1.84 0.00 -1.26 -4.84 105.19 102.78 2b0f n GLY 96 Ca -0.06 -2.75 0.01 0.00 0.00 0.00 0.00 46.02 43.21 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 0.63 0.76 -4.02 1.61 3.14 -1.26 -4.01 118.33 115.17 2b0f n VAL 97 Ca 0.31 0.19 -0.33 0.00 -2.96 0.00 0.00 64.34 61.54 2b0f n VAL 97 Cb 0.39 -1.17 -0.15 0.00 -1.06 0.00 0.00 33.84 31.85 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 -2.40 4.39 0.16 6.55 2.15 -1.25 -1.01 116.67 125.27 2b0f s ASP 98 Ca 0.02 -1.20 0.05 0.00 0.43 0.00 0.00 52.55 51.84 2b0f s ASP 98 Cb 0.01 -1.60 -0.05 0.00 -0.30 0.00 0.00 42.92 40.98 2b0f s ASP 98 CO 0.02 -0.18 -0.10 0.00 -0.17 0.00 0.00 175.17 174.74 2b0f s ALA 99 N 1.19 1.59 -0.03 3.66 0.00 -0.94 -4.79 121.76 122.44 2b0f s ALA 99 Ca -0.05 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.41 2b0f s ALA 99 Cb -0.19 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2b0f s ALA 99 CO -0.05 -0.08 -0.18 0.99 0.00 0.00 0.00 175.76 176.45 2b0f s THR 100 N -3.27 1.47 -0.28 0.00 2.01 0.41 -2.05 115.64 113.94 2b0f s THR 100 Ca 0.19 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 2b0f s THR 100 Cb 0.02 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2b0f s THR 100 CO 0.02 0.42 0.15 -0.22 -0.69 0.00 0.00 174.62 174.31 2b0f s LEU 101 N -0.14 3.88 -0.53 4.42 2.96 0.13 -0.38 118.68 129.03 2b0f s LEU 101 Ca 0.00 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2b0f s LEU 101 Cb -0.10 -2.05 0.13 0.00 0.50 0.00 0.00 46.19 44.67 2b0f s LEU 101 CO 0.01 -0.07 0.44 -0.69 -1.32 0.00 0.00 176.35 174.72 2b0f s VAL 102 N 1.70 4.66 -0.07 1.68 1.01 0.15 0.57 120.40 130.09 2b0f s VAL 102 Ca 0.07 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 2b0f s VAL 102 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2b0f s VAL 102 CO 0.08 -0.83 0.70 -0.69 0.00 0.00 0.00 175.10 174.36 2b0f s VAL 103 N 1.32 5.05 -0.14 2.92 1.01 0.23 -0.63 120.40 130.16 2b0f s VAL 103 Ca 0.06 1.44 0.24 0.00 0.00 0.00 0.00 61.98 63.72 2b0f s VAL 103 Cb -0.26 -4.04 0.47 0.00 0.00 0.00 0.00 36.38 32.55 2b0f s VAL 103 CO -0.00 0.25 1.14 1.57 0.00 0.00 0.00 175.10 178.06 2b0f n HIS 104 N 3.79 0.68 -3.43 5.22 -0.00 -1.06 -0.44 115.22 119.99 2b0f n HIS 104 Ca -0.01 -1.36 -0.00 0.00 -0.00 0.00 0.00 57.72 56.34 2b0f n HIS 104 Cb 0.51 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 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 -0.11 0.86 -0.27 0.26 7.64 -0.58 -3.44 113.62 117.99 2b0f n SER 105 Ca 0.08 -1.01 -0.01 0.00 1.01 0.00 0.00 58.87 58.94 2b0f n SER 105 Cb 0.96 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.22 2b0f n SER 105 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2b0f h ASN 106 N 0.00 -0.97 0.73 6.43 -1.24 -0.70 -2.63 115.58 117.21 2b0f h ASN 106 Ca -0.00 0.24 -0.24 0.00 0.71 0.00 0.00 56.30 57.01 2b0f h ASN 106 Cb 0.01 0.56 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2b0f h ASN 106 CO 0.00 -0.28 -1.38 -1.13 -1.29 0.00 0.00 177.43 173.35 2b0f h ASN 107 N -0.05 0.00 -2.82 1.15 -1.24 -1.86 -3.44 115.58 107.31 2b0f h ASN 107 Ca 0.33 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.82 2b0f h ASN 107 Cb 0.57 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.22 2b0f h ASN 107 CO -0.79 0.94 -0.78 -0.36 -1.29 0.00 0.00 177.43 175.15 2b0f s PHE 108 N -2.68 0.30 -0.28 0.67 0.08 -1.01 -5.04 117.98 110.01 2b0f s PHE 108 Ca -0.02 -0.80 -0.14 0.00 0.12 0.00 0.00 56.93 56.09 2b0f s PHE 108 Cb 0.09 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 2b0f s PHE 108 CO 0.82 -0.79 0.33 0.99 -0.10 0.00 0.00 175.22 176.47 2b0f s THR 109 N 2.11 5.20 -0.39 0.64 2.01 -1.09 -1.52 115.64 122.60 2b0f s THR 109 Ca 0.08 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 2b0f s THR 109 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2b0f s THR 109 CO -0.33 0.14 0.37 0.59 -0.69 0.00 0.00 174.62 174.70 2b0f n ASN 110 N 5.28 -5.08 -3.56 3.53 3.02 -0.13 -4.92 115.26 113.40 2b0f n ASN 110 Ca -0.10 -0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.19 2b0f n ASN 110 Cb 0.51 -3.29 -0.15 0.00 -0.61 0.00 0.00 39.78 36.23 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 -2.95 -0.16 -0.50 3.41 2.01 0.42 -5.00 115.64 112.87 2b0f s THR 111 Ca 0.01 -0.26 -0.24 0.00 0.31 0.00 0.00 61.69 61.50 2b0f s THR 111 Cb -0.00 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.86 2b0f s THR 111 CO 0.40 -0.34 0.90 -0.63 -0.69 0.00 0.00 174.62 174.26 2b0f s ILE 112 N 2.19 4.48 -0.31 1.82 1.01 -1.26 -0.60 121.20 128.53 2b0f s ILE 112 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2b0f s ILE 112 Cb -0.16 -4.45 0.07 0.00 0.01 0.00 0.00 42.46 37.92 2b0f s ILE 112 CO -0.15 -0.92 0.00 -0.76 0.00 0.00 0.00 174.94 173.10 2b0f s LEU 113 N 3.73 4.05 -0.03 2.97 1.43 0.19 -4.97 118.68 126.05 2b0f s LEU 113 Ca 0.33 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.62 2b0f s LEU 113 Cb -0.12 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2b0f s LEU 113 CO 0.23 -0.29 1.28 -1.83 0.23 0.00 0.00 176.35 175.96 2b0f s GLU 114 N 1.15 4.33 0.09 1.70 1.03 -1.26 0.22 118.70 125.96 2b0f s GLU 114 Ca -0.03 1.79 0.17 0.00 0.03 0.00 0.00 54.97 56.93 2b0f s GLU 114 Cb -0.20 -3.55 -0.11 0.00 -0.80 0.00 0.00 34.13 29.47 2b0f s GLU 114 CO -0.03 -0.49 0.88 -0.39 -1.33 0.00 0.00 175.26 173.90 2b0f h VAL 115 N 4.95 0.47 0.00 1.83 -1.51 -1.76 -3.46 116.25 116.77 2b0f h VAL 115 Ca -0.36 -1.91 0.00 0.00 -1.23 0.00 0.00 66.70 63.20 2b0f h VAL 115 Cb 1.17 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 2b0f h VAL 115 CO 0.89 0.27 0.00 0.61 -1.23 0.00 0.00 177.57 178.10 2b0f n GLY 116 N 1.36 1.57 3.67 5.19 0.00 -1.13 -4.60 105.19 111.26 2b0f n GLY 116 Ca -0.08 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 4.29 -0.07 1.61 0.02 -1.25 -2.21 135.00 137.38 2b0f s PRO 117 Ca 0.00 1.66 0.05 0.00 0.02 0.00 0.00 61.00 62.72 2b0f s PRO 117 Cb 0.00 -3.67 -0.00 0.00 0.02 0.00 0.00 34.50 30.85 2b0f s PRO 117 CO 0.00 -0.59 -0.23 0.54 -0.33 0.00 0.00 177.00 176.39 2b0f s VAL 118 N 2.91 1.93 0.00 3.83 0.11 -0.18 -2.87 120.40 126.13 2b0f s VAL 118 Ca 0.55 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2b0f s VAL 118 Cb -0.23 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 2b0f s VAL 118 CO 0.18 0.54 0.00 0.35 -3.33 0.00 0.00 175.10 172.83 2b0f n THR 119 N 3.25 0.00 -4.21 5.04 -2.24 0.22 -4.52 114.28 111.83 2b0f n THR 119 Ca -0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 2b0f n THR 119 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 2b0f n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b0f s MET 120 N -1.89 0.89 0.00 -0.78 0.23 -1.26 0.24 119.30 116.73 2b0f s MET 120 Ca 0.00 -0.98 0.17 0.00 -1.03 0.00 0.00 55.69 53.84 2b0f s MET 120 Cb 0.00 -0.95 -0.00 0.00 -1.53 0.00 0.00 34.83 32.34 2b0f s MET 120 CO 0.00 0.22 0.88 0.00 -2.03 0.00 0.00 175.02 174.08 2b0f n ALA 121 N 1.28 3.21 0.00 3.16 0.00 0.34 -4.71 120.51 123.79 2b0f n ALA 121 Ca -0.21 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2b0f n ALA 121 Cb 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.17 1.74 3.23 0.00 0.00 -1.17 -4.71 105.19 105.46 2b0f n GLY 122 Ca 0.07 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 2.19 0.00 0.99 1.43 -1.26 -0.96 118.68 121.07 2b0f s LEU 123 Ca 0.00 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2b0f s LEU 123 Cb 0.00 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2b0f s LEU 123 CO 0.00 0.14 0.46 2.30 0.23 0.00 0.00 176.35 179.47 2b0f n ILE 124 N 3.69 0.00 -3.62 -0.59 -5.35 -1.15 -5.04 119.36 107.30 2b0f n ILE 124 Ca -0.19 -1.39 -0.37 0.00 -0.27 0.00 0.00 62.75 60.53 2b0f n ILE 124 Cb 0.53 0.91 -0.06 0.00 -1.74 0.00 0.00 39.64 39.27 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 -2.82 6.56 -0.29 7.28 0.01 -1.26 -1.15 114.94 123.26 2b0f s ASN 125 Ca 0.23 0.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.07 2b0f s ASN 125 Cb -0.01 -2.18 0.08 0.00 0.41 0.00 0.00 41.25 39.55 2b0f s ASN 125 CO 0.16 0.27 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.76 2b0f s LEU 126 N -0.51 3.89 -1.30 0.60 2.96 0.83 -4.64 118.68 120.52 2b0f s LEU 126 Ca 0.19 -1.70 -0.06 0.00 -0.22 0.00 0.00 54.13 52.33 2b0f s LEU 126 Cb -0.14 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2b0f s LEU 126 CO 0.07 -0.28 1.12 -0.24 -1.32 0.00 0.00 176.35 175.71 2b0f n SER 127 N 4.39 -5.17 0.00 3.68 2.88 -1.26 -1.22 113.62 116.92 2b0f n SER 127 Ca -0.06 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 2b0f n SER 127 Cb 0.42 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.87 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 -3.01 -4.46 -4.25 -3.46 7.64 -1.26 -4.97 113.62 99.86 2b0f n SER 128 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.45 2b0f n SER 128 Cb 0.59 -2.41 -0.13 0.00 -1.01 0.00 0.00 64.21 61.25 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 -1.41 3.39 0.00 0.44 2.01 -0.36 -5.05 115.64 114.66 2b0f s THR 129 Ca 0.00 -1.05 -0.34 0.00 0.31 0.00 0.00 61.69 60.60 2b0f s THR 129 Cb 0.00 -2.83 -0.13 0.00 0.01 0.00 0.00 72.50 69.55 2b0f s THR 129 CO 0.00 0.01 1.75 -2.65 -0.69 0.00 0.00 174.62 173.03 2b0f n PRO 130 N 4.74 2.09 -4.51 4.92 -0.02 -1.26 -0.12 135.00 140.83 2b0f n PRO 130 Ca -0.14 0.76 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 2b0f n PRO 130 Cb 0.46 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 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 2.77 1.01 0.10 3.45 2.01 -0.30 -3.36 115.64 121.32 2b0f s THR 131 Ca 0.88 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2b0f s THR 131 Cb -0.71 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2b0f s THR 131 CO 0.47 0.21 0.26 0.20 -0.69 0.00 0.00 174.62 175.07 2b0f s ASN 132 N -0.49 6.37 -0.98 3.53 -0.87 -0.08 -2.94 114.94 119.48 2b0f s ASN 132 Ca 0.04 0.27 -0.07 0.00 -1.57 0.00 0.00 52.86 51.53 2b0f s ASN 132 Cb -0.06 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.18 2b0f s ASN 132 CO -0.00 0.11 0.83 0.54 -2.57 0.00 0.00 177.10 176.01 2b0f n ARG 133 N -0.06 -1.82 -3.46 -0.60 3.00 -0.62 -4.77 116.66 108.34 2b0f n ARG 133 Ca -0.05 0.95 -0.38 0.00 -0.01 0.00 0.00 57.85 58.36 2b0f n ARG 133 Cb 0.52 -5.41 -0.06 0.00 0.00 0.00 0.00 32.46 27.51 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 -4.33 4.12 -0.01 5.56 -1.94 -0.13 -1.80 119.30 120.77 2b0f s MET 134 Ca 0.33 0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 54.53 2b0f s MET 134 Cb -0.06 -3.34 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 2b0f s MET 134 CO 0.77 0.42 0.35 0.42 -0.01 0.00 0.00 175.02 176.96 2b0f s ILE 135 N -0.17 5.15 -0.11 2.53 1.01 0.23 -0.50 121.20 129.34 2b0f s ILE 135 Ca 0.23 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2b0f s ILE 135 Cb -0.15 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2b0f s ILE 135 CO 0.10 0.53 -0.15 -0.60 0.00 0.00 0.00 174.94 174.82 2b0f s ARG 136 N -1.24 2.19 -0.06 2.79 3.52 0.14 -1.51 118.95 124.76 2b0f s ARG 136 Ca 0.24 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2b0f s ARG 136 Cb -0.15 -1.87 0.01 0.00 -1.56 0.00 0.00 34.95 31.38 2b0f s ARG 136 CO 0.12 -0.07 -0.14 1.52 -0.81 0.00 0.00 175.30 175.93 2b0f s TYR 137 N 1.00 1.59 -1.05 5.12 1.13 -0.61 0.72 117.35 125.25 2b0f s TYR 137 Ca -0.06 -0.57 -0.23 0.00 -1.41 0.00 0.00 57.07 54.80 2b0f s TYR 137 Cb -0.15 -1.13 0.02 0.00 -1.10 0.00 0.00 41.96 39.59 2b0f s TYR 137 CO -0.02 -0.27 1.67 -0.51 -2.51 0.00 0.00 175.55 173.92 2b0f s ASP 138 N 0.54 6.07 -0.30 -0.18 1.11 -1.14 -0.91 116.67 121.86 2b0f s ASP 138 Ca -0.13 -1.44 -0.07 0.00 0.18 0.00 0.00 52.55 51.08 2b0f s ASP 138 Cb -0.15 -2.57 0.17 0.00 1.07 0.00 0.00 42.92 41.43 2b0f s ASP 138 CO 0.04 -1.92 0.73 -0.47 1.18 0.00 0.00 175.17 174.73 2b0f s TYR 139 N 6.75 -1.26 -0.08 4.23 5.04 -1.02 -4.71 117.35 126.29 2b0f s TYR 139 Ca 0.56 1.70 -0.30 0.00 -2.44 0.00 0.00 57.07 56.59 2b0f s TYR 139 Cb -0.01 0.58 -0.08 0.00 0.35 0.00 0.00 41.96 42.79 2b0f s TYR 139 CO -0.02 -0.66 2.05 0.00 -1.34 0.00 0.00 175.55 175.58 2b0f n ALA 140 N 5.38 1.52 -2.23 3.97 0.00 -0.86 -3.38 120.51 124.91 2b0f n ALA 140 Ca -0.06 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2b0f n ALA 140 Cb 0.51 -2.73 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 2b0f n ALA 140 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b0f s THR 141 N 5.74 1.05 0.33 0.00 -4.23 -1.26 -5.02 115.64 112.25 2b0f s THR 141 Ca 0.94 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.47 2b0f s THR 141 Cb -0.46 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 2b0f s THR 141 CO 0.42 -0.78 0.21 -0.54 -0.54 0.00 0.00 174.62 173.39 2b0f s LYS 142 N -3.77 1.71 0.79 3.99 1.02 -1.26 -4.91 119.74 117.32 2b0f s LYS 142 Ca 0.15 -2.00 -0.16 0.00 0.02 0.00 0.00 55.97 53.98 2b0f s LYS 142 Cb 0.03 0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.28 2b0f s LYS 142 CO -0.01 -0.55 -0.08 0.25 -0.92 0.00 0.00 175.35 174.04 2b0f n THR 143 N -0.65 0.54 0.00 2.17 -2.24 -1.26 -2.49 114.28 110.36 2b0f n THR 143 Ca 0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2b0f n THR 143 Cb 0.64 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2b0f n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b0f n GLY 144 N 2.43 2.99 0.19 3.38 0.00 -1.26 -4.77 105.19 108.16 2b0f n GLY 144 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.93 0.64 -2.40 1.61 3.00 -1.04 -3.20 117.38 115.07 2b0f n GLN 145 Ca 0.00 -0.39 -0.41 0.00 -0.01 0.00 0.00 57.00 56.19 2b0f n GLN 145 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.71 2b0f n GLN 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2b0f n GLY 147 N 2.44 2.52 3.71 0.00 0.00 0.32 -4.73 105.19 109.44 2b0f n GLY 147 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.63 0.45 3.64 -0.02 0.00 -1.00 -4.32 105.19 103.31 2b0f n GLY 148 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.38 4.93 -0.47 1.61 1.01 0.20 0.67 120.40 126.97 2b0f s VAL 149 Ca 0.79 1.34 -0.19 0.00 0.00 0.00 0.00 61.98 63.91 2b0f s VAL 149 Cb -0.40 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.01 2b0f s VAL 149 CO 0.43 0.01 0.61 -0.22 0.00 0.00 0.00 175.10 175.93 2b0f s LEU 150 N 2.45 4.77 0.27 3.92 2.96 0.49 0.31 118.68 133.85 2b0f s LEU 150 Ca 0.31 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 2b0f s LEU 150 Cb -0.16 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 2b0f s LEU 150 CO 0.09 -0.81 0.43 0.00 -1.32 0.00 0.00 176.35 174.74 2b0f s ALA 152 N -3.76 0.12 -0.52 0.00 0.00 0.12 -0.44 121.76 117.28 2b0f s ALA 152 Ca 0.27 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 2b0f s ALA 152 Cb 0.01 1.02 -0.04 0.00 0.00 0.00 0.00 23.12 24.10 2b0f s ALA 152 CO 0.12 -0.70 2.11 -0.08 0.00 0.00 0.00 175.76 177.21 2b0f s THR 153 N -4.02 3.20 0.00 0.00 -1.32 -1.26 -1.29 115.64 110.95 2b0f s THR 153 Ca 0.23 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2b0f s THR 153 Cb 0.03 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 2b0f s THR 153 CO 0.05 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 2b0f n GLY 154 N 5.81 1.29 2.81 6.08 0.00 -1.26 -5.00 105.19 114.92 2b0f n GLY 154 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 2b0f n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f s LYS 155 N -0.62 0.78 -0.31 1.61 3.01 -0.41 -4.66 119.74 119.14 2b0f s LYS 155 Ca 0.00 0.02 -0.11 0.00 -1.01 0.00 0.00 55.97 54.87 2b0f s LYS 155 Cb 0.00 -1.04 -0.03 0.00 -1.01 0.00 0.00 37.83 35.75 2b0f s LYS 155 CO 0.00 -0.26 0.19 0.42 0.51 0.00 0.00 175.35 176.21 2b0f s ILE 156 N 1.77 5.06 -0.04 2.17 1.01 0.12 0.12 121.20 131.39 2b0f s ILE 156 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2b0f s ILE 156 Cb -0.13 -3.52 -0.25 0.00 0.01 0.00 0.00 42.46 38.58 2b0f s ILE 156 CO -0.05 0.11 0.66 -0.26 0.00 0.00 0.00 174.94 175.40 2b0f h PHE 157 N 8.40 0.21 0.00 3.97 0.04 -1.26 -3.01 116.94 125.30 2b0f h PHE 157 Ca -0.33 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2b0f h PHE 157 Cb 1.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2b0f h PHE 157 CO 0.69 1.27 0.00 0.41 -0.60 0.00 0.00 178.31 180.08 2b0f n GLY 158 N 1.68 -0.01 3.16 -1.45 0.00 -1.04 -0.54 105.19 106.99 2b0f n GLY 158 Ca -0.20 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.93 1.17 0.09 -0.61 -4.36 -1.15 -0.38 121.20 112.04 2b0f s ILE 159 Ca 0.00 -1.04 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 2b0f s ILE 159 Cb 0.00 -1.06 -0.10 0.00 1.25 0.00 0.00 42.46 42.56 2b0f s ILE 159 CO 0.00 0.01 1.84 -2.28 0.24 0.00 0.00 174.94 174.75 2b0f s HIS 160 N -0.87 1.95 -0.08 1.37 5.65 0.21 -0.63 115.29 122.89 2b0f s HIS 160 Ca 0.02 -0.10 0.07 0.00 0.25 0.00 0.00 55.06 55.31 2b0f s HIS 160 Cb -0.08 -4.17 -0.11 0.00 -1.18 0.00 0.00 32.58 27.05 2b0f s HIS 160 CO 0.01 -4.92 0.04 1.55 -0.65 0.00 0.00 174.74 170.77 2b0f n VAL 161 N 4.96 0.52 -1.39 0.89 3.14 -0.30 0.12 118.33 126.26 2b0f n VAL 161 Ca 0.18 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2b0f n VAL 161 Cb 0.39 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 2b0f n VAL 161 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2b0f n GLY 162 N 2.45 1.30 3.59 7.55 0.00 0.63 -4.81 105.19 115.90 2b0f n GLY 162 Ca -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.31 -0.24 -0.02 0.00 -1.26 -0.16 107.32 105.33 2b0f s GLY 163 Ca 0.00 1.52 -0.03 0.00 0.00 0.00 0.00 44.72 46.21 2b0f s GLY 163 CO 0.00 0.50 0.09 0.21 0.00 0.00 0.00 173.10 173.90 2b0f s ASN 164 N -2.23 3.17 1.37 1.64 3.84 0.86 -4.85 114.94 118.74 2b0f s ASN 164 Ca 0.09 -1.06 0.00 0.00 0.21 0.00 0.00 52.86 52.10 2b0f s ASN 164 Cb -0.01 -0.47 0.00 0.00 -0.55 0.00 0.00 41.25 40.22 2b0f s ASN 164 CO -0.05 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 2b0f n GLY 165 N 5.14 2.33 0.71 1.21 0.00 -1.26 -2.13 105.19 111.18 2b0f n GLY 165 Ca -0.06 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.91 2b0f n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b0f n ARG 166 N 6.70 1.54 -3.77 1.61 1.74 -1.26 -4.60 116.66 118.61 2b0f n ARG 166 Ca 0.00 -1.54 -0.36 0.00 -0.77 0.00 0.00 57.85 55.18 2b0f n ARG 166 Cb 0.00 -1.35 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 2b0f n ARG 166 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2b0f s GLN 167 N -1.55 3.96 0.32 5.56 1.11 -0.91 -2.03 119.66 126.12 2b0f s GLN 167 Ca 0.21 -0.33 -0.15 0.00 0.01 0.00 0.00 55.36 55.09 2b0f s GLN 167 Cb 0.15 -3.42 -0.09 0.00 -1.01 0.00 0.00 33.01 28.65 2b0f s GLN 167 CO 0.24 0.06 0.74 0.20 0.01 0.00 0.00 175.29 176.54 2b0f s GLY 168 N 1.01 2.35 -0.08 3.09 0.00 -0.08 -0.10 107.32 113.52 2b0f s GLY 168 Ca 0.06 0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.86 2b0f s GLY 168 CO 0.04 0.28 -0.16 -1.36 0.00 0.00 0.00 173.10 171.89 2b0f s PHE 169 N -1.96 1.84 0.33 1.90 0.40 0.77 -1.57 117.98 119.70 2b0f s PHE 169 Ca 0.54 -0.73 0.09 0.00 -0.60 0.00 0.00 56.93 56.22 2b0f s PHE 169 Cb -0.11 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.06 2b0f s PHE 169 CO 0.18 -0.34 -0.08 -1.12 0.70 0.00 0.00 175.22 174.55 2b0f s SER 170 N 0.60 3.47 -0.11 1.36 0.01 -0.57 -0.27 113.70 118.18 2b0f s SER 170 Ca -0.15 -1.21 -0.15 0.00 1.31 0.00 0.00 55.95 55.75 2b0f s SER 170 Cb -0.16 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 2b0f s SER 170 CO 0.05 -0.25 0.38 0.00 0.41 0.00 0.00 173.24 173.82 2b0f s ALA 171 N -2.73 3.58 -0.56 1.44 0.00 0.19 0.77 121.76 124.45 2b0f s ALA 171 Ca 0.32 -0.32 -0.27 0.00 0.00 0.00 0.00 51.96 51.69 2b0f s ALA 171 Cb 0.03 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.72 2b0f s ALA 171 CO 0.15 0.16 1.10 -1.14 0.00 0.00 0.00 175.76 176.03 2b0f s GLN 172 N 0.16 3.46 -1.09 0.00 0.74 -0.74 -2.92 119.66 119.26 2b0f s GLN 172 Ca 0.21 0.08 -0.18 0.00 0.05 0.00 0.00 55.36 55.52 2b0f s GLN 172 Cb -0.14 -4.02 0.11 0.00 1.10 0.00 0.00 33.01 30.05 2b0f s GLN 172 CO 0.08 -1.59 1.40 -0.51 -0.55 0.00 0.00 175.29 174.12 2b0f s LEU 173 N 4.56 4.42 0.04 3.68 1.02 0.30 -4.98 118.68 127.73 2b0f s LEU 173 Ca 0.39 -2.20 -0.30 0.00 0.02 0.00 0.00 54.13 52.03 2b0f s LEU 173 Cb -0.09 -2.48 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 2b0f s LEU 173 CO 0.24 -1.12 1.22 -0.54 0.02 0.00 0.00 176.35 176.16 2b0f s LYS 174 N 3.31 4.41 0.38 1.70 1.02 -1.26 -4.10 119.74 125.20 2b0f s LYS 174 Ca 0.43 1.78 0.21 0.00 0.02 0.00 0.00 55.97 58.40 2b0f s LYS 174 Cb -0.01 -3.38 1.25 0.00 -0.52 0.00 0.00 37.83 35.16 2b0f s LYS 174 CO -0.04 -0.31 1.64 -0.22 -0.92 0.00 0.00 175.35 175.50 2b0f h LYS 175 N 6.95 0.18 -0.92 1.68 3.64 -1.66 -0.50 116.57 125.93 2b0f h LYS 175 Ca -0.40 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.16 2b0f h LYS 175 Cb 1.20 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 2b0f h LYS 175 CO 0.83 0.12 0.48 1.96 -2.27 0.00 0.00 179.45 180.56 2b0f h GLN 176 N 0.18 0.54 0.00 1.90 4.20 -1.90 0.26 115.11 120.28 2b0f h GLN 176 Ca 0.78 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 59.41 2b0f h GLN 176 Cb 2.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 2b0f h GLN 176 CO -0.57 0.35 -0.22 1.88 -0.67 0.00 0.00 178.83 179.60 2b0f h TYR 177 N 0.55 0.00 0.00 2.96 0.05 -1.47 -3.29 116.97 115.77 2b0f h TYR 177 Ca 0.55 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 59.05 2b0f h TYR 177 Cb 0.95 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.64 2b0f h TYR 177 CO -0.08 0.22 -2.05 1.19 -1.05 0.00 0.00 178.16 176.39 2b0f n PHE 178 N -3.37 0.00 0.25 4.88 3.72 -0.40 -4.37 117.46 118.17 2b0f n PHE 178 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2b0f n PHE 178 Cb 0.44 -0.73 0.62 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.96 0.00 -4.37 3.04 -0.68 -2.11 116.25 113.10 2b0f h VAL 179 Ca -0.42 -0.34 -0.08 0.00 -1.01 0.00 0.00 66.70 64.86 2b0f h VAL 179 Cb 1.78 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 2b0f h VAL 179 CO -0.02 0.09 -0.38 1.05 -1.01 0.00 0.00 177.57 177.30 2b0f h GLU 180 N 0.00 0.00 -6.54 4.17 4.11 -1.79 -3.46 114.58 111.08 2b0f h GLU 180 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2b0f h GLU 180 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2b0f h GLU 180 CO 0.01 0.38 0.18 0.15 0.07 0.00 0.00 179.01 179.80 2b0f s LYS 181 N -3.20 4.55 0.00 1.06 1.02 -0.80 -5.16 119.74 117.22 2b0f s LYS 181 Ca 0.03 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.17 2b0f s LYS 181 Cb 0.08 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2b0f s LYS 181 CO 0.71 0.55 0.00 0.00 -0.92 0.00 0.00 175.35 175.68