#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2g s LYS 2 N 0.00 4.16 0.41 0.03 0.00 -1.26 -4.97 119.74 118.11 1s2g s LYS 2 Ca 0.00 2.51 -0.20 0.00 0.00 0.00 0.00 55.97 58.28 1s2g s LYS 2 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 37.83 34.67 1s2g s LYS 2 CO 0.00 -0.61 0.91 0.00 0.00 0.00 0.00 175.35 175.66 1s2g s ALA 3 N 0.25 3.10 0.12 0.59 0.00 -1.26 -4.97 121.76 119.59 1s2g s ALA 3 Ca 0.65 0.34 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1s2g s ALA 3 Cb -0.47 -3.08 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 1s2g s ALA 3 CO 0.43 0.17 1.32 0.28 0.00 0.00 0.00 175.76 177.96 1s2g h VAL 4 N 1.96 1.65 -3.67 0.00 2.07 -2.03 -3.46 116.25 112.76 1s2g h VAL 4 Ca -0.49 -3.26 -0.09 0.00 0.82 0.00 0.00 66.70 63.69 1s2g h VAL 4 Cb 1.18 2.77 -0.15 0.00 -1.52 0.00 0.00 31.29 33.57 1s2g h VAL 4 CO 0.62 0.92 -0.35 0.68 0.02 0.00 0.00 177.57 179.46 1s2g s VAL 5 N -2.80 0.12 0.22 2.57 -7.23 -1.26 -5.13 120.40 106.90 1s2g s VAL 5 Ca 0.01 -1.03 -0.32 0.00 -1.81 0.00 0.00 61.98 58.84 1s2g s VAL 5 Cb 0.10 -1.17 -0.14 0.00 0.56 0.00 0.00 36.38 35.73 1s2g s VAL 5 CO 0.81 -0.57 1.32 -2.65 -0.31 0.00 0.00 175.10 173.70 1s2g n PRO 6 N 0.20 1.74 -0.00 4.82 -0.02 -1.26 -4.90 135.00 135.58 1s2g n PRO 6 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1s2g n PRO 6 Cb 0.61 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1s2g n PRO 6 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s2g n THR 7 N 1.72 0.00 -1.98 3.45 -1.04 -1.03 -4.50 114.28 110.89 1s2g n THR 7 Ca 0.13 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.71 1s2g n THR 7 Cb 0.29 0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 69.20 1s2g n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s2g s GLY 8 N -2.07 1.56 -0.33 3.41 0.00 0.04 -4.71 107.32 105.21 1s2g s GLY 8 Ca -0.00 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.75 1s2g s GLY 8 CO 0.01 3.00 0.04 0.54 0.00 0.00 0.00 173.10 176.70 1s2g s LYS 9 N 3.68 1.86 -0.07 2.90 1.02 -1.26 0.33 119.74 128.21 1s2g s LYS 9 Ca 0.74 -1.68 -0.20 0.00 0.02 0.00 0.00 55.97 54.84 1s2g s LYS 9 Cb -0.35 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1s2g s LYS 9 CO 0.31 -0.85 0.57 0.42 -0.92 0.00 0.00 175.35 174.87 1s2g s ILE 10 N 1.04 5.07 -0.40 2.17 -1.09 0.40 0.42 121.20 128.80 1s2g s ILE 10 Ca 0.04 1.17 -0.12 0.00 -2.23 0.00 0.00 60.65 59.51 1s2g s ILE 10 Cb -0.20 -3.91 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1s2g s ILE 10 CO -0.06 0.34 0.26 -0.47 -1.23 0.00 0.00 174.94 173.78 1s2g s TYR 11 N 0.40 3.26 -0.80 3.97 5.04 -0.28 -0.21 117.35 128.73 1s2g s TYR 11 Ca 0.31 -0.97 -0.20 0.00 -2.44 0.00 0.00 57.07 53.77 1s2g s TYR 11 Cb -0.17 -2.66 0.11 0.00 0.35 0.00 0.00 41.96 39.59 1s2g s TYR 11 CO 0.14 -0.69 1.01 -1.17 -1.34 0.00 0.00 175.55 173.51 1s2g s LEU 12 N 1.57 4.94 0.04 6.97 2.96 0.70 -0.84 118.68 135.03 1s2g s LEU 12 Ca 0.03 -1.66 -0.21 0.00 -0.22 0.00 0.00 54.13 52.07 1s2g s LEU 12 Cb -0.21 -2.39 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 1s2g s LEU 12 CO 0.07 -1.17 0.63 -0.83 -1.32 0.00 0.00 176.35 173.72 1s2g s GLY 13 N 3.61 2.68 -0.23 7.98 0.00 0.54 -4.28 107.32 117.63 1s2g s GLY 13 Ca 0.26 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.79 1s2g s GLY 13 CO -0.01 0.71 1.20 -0.45 0.00 0.00 0.00 173.10 174.54 1s2g s SER 14 N -0.57 -0.19 0.85 1.64 0.15 -1.26 -1.09 113.70 113.22 1s2g s SER 14 Ca 0.32 0.21 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 1s2g s SER 14 Cb -0.19 0.16 0.10 0.00 -1.71 0.00 0.00 66.02 64.38 1s2g s SER 14 CO 0.19 -0.17 1.09 -2.84 1.20 0.00 0.00 173.24 172.72 1s2g s PRO 15 N -1.00 1.66 0.00 5.44 0.02 -1.26 -4.97 135.00 134.88 1s2g s PRO 15 Ca 0.04 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1s2g s PRO 15 Cb -0.01 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1s2g s PRO 15 CO -0.04 -1.96 0.00 0.34 -0.33 0.00 0.00 177.00 175.01 1s2g n PHE 16 N -3.69 -0.06 0.00 6.54 7.35 -1.26 -4.65 117.46 121.69 1s2g n PHE 16 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1s2g n PHE 16 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.38 1s2g n PHE 16 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1s2g n TYR 17 N 0.00 0.00 -2.51 -5.13 4.11 -1.26 -4.90 117.16 107.47 1s2g n TYR 17 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.49 1s2g n TYR 17 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.30 1s2g n TYR 17 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1s2g s SER 18 N 0.00 7.29 0.10 9.48 1.04 -1.26 -4.91 113.70 125.45 1s2g s SER 18 Ca 0.00 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 58.35 1s2g s SER 18 Cb 0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 1s2g s SER 18 CO 0.00 -0.15 1.41 -0.78 0.98 0.00 0.00 173.24 174.70 1s2g h ASP 19 N 4.41 -1.43 -0.23 7.02 1.82 -2.00 -0.84 116.42 125.17 1s2g h ASP 19 Ca -0.46 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 1s2g h ASP 19 Cb 1.21 0.59 -0.02 0.00 0.68 0.00 0.00 39.33 41.79 1s2g h ASP 19 CO 0.69 -0.30 0.07 0.00 -1.61 0.00 0.00 179.24 178.10 1s2g h ALA 20 N -0.32 1.57 -0.22 -0.78 0.00 -2.00 -2.63 119.26 114.89 1s2g h ALA 20 Ca 0.06 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1s2g h ALA 20 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s2g h ALA 20 CO -0.47 0.32 -0.45 1.96 0.00 0.00 0.00 179.25 180.62 1s2g h GLN 21 N 0.43 0.55 -0.39 0.00 4.20 -1.75 -1.62 115.11 116.52 1s2g h GLN 21 Ca 0.10 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 1s2g h GLN 21 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1s2g h GLN 21 CO -0.00 0.89 -0.25 0.00 -0.67 0.00 0.00 178.83 178.79 1s2g h ARG 22 N 0.45 0.86 -0.49 1.46 3.08 -0.87 -2.03 114.38 116.83 1s2g h ARG 22 Ca 0.03 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.69 1s2g h ARG 22 Cb 0.96 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1s2g h ARG 22 CO 0.09 1.05 0.31 1.49 -1.07 0.00 0.00 179.97 181.83 1s2g h GLU 23 N 0.67 0.60 -0.13 0.04 4.81 -1.35 0.10 114.58 119.33 1s2g h GLU 23 Ca 0.08 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1s2g h GLU 23 Cb 0.82 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1s2g h GLU 23 CO 0.07 0.40 0.07 0.00 -0.73 0.00 0.00 179.01 178.82 1s2g h ARG 24 N 0.62 0.14 -0.27 1.92 3.08 -1.18 -0.29 114.38 118.40 1s2g h ARG 24 Ca 0.19 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.28 1s2g h ARG 24 Cb -0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1s2g h ARG 24 CO -0.07 0.09 0.03 0.00 -1.07 0.00 0.00 179.97 178.95 1s2g h ALA 25 N 1.06 0.26 -0.57 0.04 0.00 -0.90 0.13 119.26 119.28 1s2g h ALA 25 Ca 0.05 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s2g h ALA 25 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1s2g h ALA 25 CO -0.03 -0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.17 1s2g h ALA 26 N 1.22 0.74 -0.30 0.00 0.00 -0.46 -2.03 119.26 118.43 1s2g h ALA 26 Ca 0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1s2g h ALA 26 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s2g h ALA 26 CO -0.19 0.06 -0.29 -0.22 0.00 0.00 0.00 179.25 178.61 1s2g h LYS 27 N 0.67 0.62 -0.32 0.00 3.64 -0.60 -2.92 116.57 117.66 1s2g h LYS 27 Ca 0.23 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1s2g h LYS 27 Cb 0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1s2g h LYS 27 CO -0.10 0.84 0.18 0.00 -2.27 0.00 0.00 179.45 178.09 1s2g h ALA 28 N 1.15 0.39 -0.23 5.00 0.00 -0.24 -1.57 119.26 123.77 1s2g h ALA 28 Ca 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1s2g h ALA 28 Cb 0.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1s2g h ALA 28 CO 0.06 -0.19 -0.02 0.87 0.00 0.00 0.00 179.25 179.97 1s2g h LYS 29 N 0.37 0.04 -0.02 0.00 1.57 -1.26 0.91 116.57 118.18 1s2g h LYS 29 Ca 0.13 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1s2g h LYS 29 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1s2g h LYS 29 CO -0.07 0.03 -0.22 0.93 -0.57 0.00 0.00 179.45 179.55 1s2g h GLU 30 N 0.04 -0.33 -0.32 3.15 5.08 -1.30 0.19 114.58 121.10 1s2g h GLU 30 Ca 0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1s2g h GLU 30 Cb 0.15 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1s2g h GLU 30 CO -0.21 -0.22 0.00 -0.07 -1.00 0.00 0.00 179.01 177.51 1s2g h LEU 31 N -0.34 -0.13 -0.64 1.33 3.38 -0.88 -2.56 115.31 115.48 1s2g h LEU 31 Ca 0.07 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1s2g h LEU 31 Cb 0.43 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1s2g h LEU 31 CO -0.22 -0.03 0.24 -0.07 0.09 0.00 0.00 178.44 178.45 1s2g h LEU 32 N 0.09 0.89 -2.75 1.67 3.38 -0.45 -1.56 115.31 116.59 1s2g h LEU 32 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s2g h LEU 32 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s2g h LEU 32 CO -0.26 0.84 0.01 0.00 0.09 0.00 0.00 178.44 179.12 1s2g h ALA 33 N 1.09 1.01 -0.01 1.53 0.00 -0.25 0.39 119.26 123.02 1s2g h ALA 33 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1s2g h ALA 33 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s2g h ALA 33 CO -0.01 -0.01 -0.10 1.63 0.00 0.00 0.00 179.25 180.76 1s2g n LYS 34 N -2.96 1.37 -3.19 0.00 5.02 -0.59 -4.84 118.16 112.96 1s2g n LYS 34 Ca -0.03 -0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 55.04 1s2g n LYS 34 Cb 0.08 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1s2g n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1s2g s ASN 35 N -2.19 6.34 0.47 4.39 3.84 0.14 -4.91 114.94 123.01 1s2g s ASN 35 Ca 0.33 -0.04 0.32 0.00 0.21 0.00 0.00 52.86 53.67 1s2g s ASN 35 Cb 0.20 -2.29 1.65 0.00 -0.55 0.00 0.00 41.25 40.27 1s2g s ASN 35 CO 0.40 -0.55 1.96 -0.65 -2.79 0.00 0.00 177.10 175.48 1s2g h PRO 36 N 8.52 0.00 0.00 0.43 0.11 -1.85 -2.31 132.00 136.89 1s2g h PRO 36 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1s2g h PRO 36 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s2g h PRO 36 CO 0.80 0.00 -0.39 -1.13 -0.21 0.00 0.00 178.00 177.08 1s2g n SER 37 N -2.63 0.39 -4.72 -2.05 3.41 -1.26 -4.53 113.62 102.23 1s2g n SER 37 Ca -0.02 -0.07 -0.39 0.00 -0.26 0.00 0.00 58.87 58.13 1s2g n SER 37 Cb 0.09 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1s2g n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s2g s ILE 38 N -3.00 5.06 -0.16 -1.33 1.01 -0.87 -0.78 121.20 121.13 1s2g s ILE 38 Ca 0.12 1.38 0.17 0.00 0.00 0.00 0.00 60.65 62.31 1s2g s ILE 38 Cb 0.18 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.40 1s2g s ILE 38 CO 0.66 0.26 0.10 0.00 0.00 0.00 0.00 174.94 175.96 1s2g n ALA 39 N 3.79 1.67 -3.59 9.38 0.00 0.15 -4.79 120.51 127.13 1s2g n ALA 39 Ca -0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.15 1s2g n ALA 39 Cb 0.51 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 1s2g n ALA 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s2g s HIS 40 N -2.54 -0.63 -0.09 0.00 5.65 -0.85 -5.02 115.29 111.82 1s2g s HIS 40 Ca -0.09 1.36 0.02 0.00 0.25 0.00 0.00 55.06 56.60 1s2g s HIS 40 Cb 0.06 0.36 0.01 0.00 -1.18 0.00 0.00 32.58 31.83 1s2g s HIS 40 CO 0.75 -0.42 -0.14 0.08 -0.65 0.00 0.00 174.74 174.37 1s2g s VAL 41 N -0.34 1.33 -0.17 0.89 1.01 -1.26 -0.45 120.40 121.40 1s2g s VAL 41 Ca -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1s2g s VAL 41 Cb -0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1s2g s VAL 41 CO 0.02 0.40 -0.09 0.12 0.00 0.00 0.00 175.10 175.56 1s2g s PHE 42 N 0.87 2.89 -0.22 5.22 5.36 0.71 -4.97 117.98 127.84 1s2g s PHE 42 Ca -0.10 -0.81 0.02 0.00 -0.96 0.00 0.00 56.93 55.08 1s2g s PHE 42 Cb -0.15 -1.97 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1s2g s PHE 42 CO 0.01 -0.38 -0.16 0.12 -1.46 0.00 0.00 175.22 173.35 1s2g s PHE 43 N 0.90 2.99 0.51 10.12 5.36 -1.26 -0.21 117.98 136.38 1s2g s PHE 43 Ca -0.02 -1.91 0.27 0.00 -0.96 0.00 0.00 56.93 54.31 1s2g s PHE 43 Cb -0.15 -1.93 1.38 0.00 -0.34 0.00 0.00 43.02 41.98 1s2g s PHE 43 CO 0.00 -0.83 1.89 -1.00 -1.46 0.00 0.00 175.22 173.82 1s2g h PRO 44 N 7.88 0.10 -0.00 10.12 0.13 -1.94 -2.56 132.00 145.71 1s2g h PRO 44 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1s2g h PRO 44 Cb 1.10 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1s2g h PRO 44 CO 0.56 0.06 -0.30 1.19 -0.23 0.00 0.00 178.00 179.29 1s2g n PHE 45 N -4.34 0.00 0.00 1.56 3.01 -1.26 -4.59 117.46 111.84 1s2g n PHE 45 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1s2g n PHE 45 Cb 0.85 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 1s2g n PHE 45 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s2g n ASP 46 N -0.93 0.00 -4.95 4.37 8.00 -0.97 -4.80 116.55 117.28 1s2g n ASP 46 Ca 0.10 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 1s2g n ASP 46 Cb 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 1s2g n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s2g s ASP 47 N -2.14 6.26 0.17 -2.24 1.01 -1.26 -5.11 116.67 113.35 1s2g s ASP 47 Ca 0.00 0.38 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 1s2g s ASP 47 Cb 0.00 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 1s2g s ASP 47 CO 0.00 -0.30 0.07 -0.83 0.21 0.00 0.00 175.17 174.32 1s2g s GLY 48 N -4.05 1.22 -0.01 0.21 0.00 -1.26 -4.98 107.32 98.46 1s2g s GLY 48 Ca 0.40 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 1s2g s GLY 48 CO 0.35 -1.42 0.53 -0.12 0.00 0.00 0.00 173.10 172.44 1s2g s PHE 49 N -3.99 3.69 -0.25 1.90 5.36 -1.26 -5.06 117.98 118.37 1s2g s PHE 49 Ca 0.29 1.12 -0.04 0.00 -0.96 0.00 0.00 56.93 57.34 1s2g s PHE 49 Cb 0.07 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.25 1s2g s PHE 49 CO 0.06 0.43 -0.02 0.99 -1.46 0.00 0.00 175.22 175.22 1s2g s THR 50 N -0.42 3.39 -0.63 0.12 2.01 -1.26 -5.00 115.64 113.85 1s2g s THR 50 Ca 0.28 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 1s2g s THR 50 Cb -0.18 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.76 1s2g s THR 50 CO 0.16 0.27 0.88 -0.62 -0.69 0.00 0.00 174.62 174.62 1s2g s ASP 51 N 1.44 6.19 0.62 3.53 2.15 -1.26 -4.88 116.67 124.45 1s2g s ASP 51 Ca 0.03 -1.05 0.28 0.00 0.43 0.00 0.00 52.55 52.24 1s2g s ASP 51 Cb -0.16 -2.39 1.46 0.00 -0.30 0.00 0.00 42.92 41.54 1s2g s ASP 51 CO -0.02 -1.32 1.85 -0.65 -0.17 0.00 0.00 175.17 174.86 1s2g h PRO 52 N 9.43 0.00 -0.73 4.34 0.11 -2.01 0.57 132.00 143.72 1s2g h PRO 52 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1s2g h PRO 52 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1s2g h PRO 52 CO 1.15 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.47 1s2g n ASP 53 N -3.36 3.94 -4.10 -2.05 -0.08 -1.26 -4.73 116.55 104.92 1s2g n ASP 53 Ca 0.05 -2.57 -0.35 0.00 -1.51 0.00 0.00 54.79 50.41 1s2g n ASP 53 Cb 0.60 -0.61 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1s2g n ASP 53 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s2g s GLU 54 N -2.09 1.88 0.00 -0.67 2.12 0.20 -5.05 118.70 115.10 1s2g s GLU 54 Ca 0.34 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.86 1s2g s GLU 54 Cb 0.26 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1s2g s GLU 54 CO 0.10 -1.02 0.00 0.36 -0.54 0.00 0.00 175.26 174.16 1s2g n LYS 55 N 4.51 0.00 -3.63 4.30 -0.00 -1.26 -4.24 118.16 117.84 1s2g n LYS 55 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 1s2g n LYS 55 Cb 0.42 -0.48 -0.07 0.00 -0.00 0.00 0.00 35.03 34.89 1s2g n LYS 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s2g s ASN 56 N -2.88 5.72 -0.30 -5.58 2.20 -1.26 -5.05 114.94 107.79 1s2g s ASN 56 Ca 0.00 -3.11 -0.37 0.00 -0.94 0.00 0.00 52.86 48.44 1s2g s ASN 56 Cb 0.00 -1.93 -0.13 0.00 -2.00 0.00 0.00 41.25 37.19 1s2g s ASN 56 CO 0.00 -0.34 1.98 -2.65 -2.94 0.00 0.00 177.10 173.15 1s2g n PRO 57 N 3.19 1.20 -3.39 3.55 -0.02 -1.26 -4.92 135.00 133.35 1s2g n PRO 57 Ca 0.13 0.40 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 1s2g n PRO 57 Cb 0.39 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1s2g n PRO 57 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s2g s GLU 58 N 4.93 2.86 -0.60 -0.52 0.41 -1.26 -5.01 118.70 119.51 1s2g s GLU 58 Ca 1.04 -1.64 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 1s2g s GLU 58 Cb -0.95 -4.16 -0.05 0.00 -1.78 0.00 0.00 34.13 27.19 1s2g s GLU 58 CO 0.57 -1.22 2.14 0.42 -0.49 0.00 0.00 175.26 176.68 1s2g s ILE 59 N 1.55 3.19 0.00 -1.63 1.01 -1.26 0.15 121.20 124.20 1s2g s ILE 59 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1s2g s ILE 59 Cb -0.28 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1s2g s ILE 59 CO 0.03 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1s2g n GLY 60 N 6.00 0.96 1.93 6.18 0.00 -1.26 -5.10 105.19 113.90 1s2g n GLY 60 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1s2g n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s2g n GLY 61 N -0.63 0.32 0.38 -0.02 0.00 0.39 -5.02 105.19 100.61 1s2g n GLY 61 Ca 0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1s2g n GLY 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s2g h ILE 62 N -0.66 0.00 -1.06 -0.61 6.09 -1.99 -3.47 117.51 115.80 1s2g h ILE 62 Ca -0.17 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1s2g h ILE 62 Cb 0.60 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1s2g h ILE 62 CO 0.17 0.00 -0.25 0.54 -3.07 0.00 0.00 178.15 175.54 1s2g n ARG 63 N -4.89 -1.33 -1.65 2.19 5.12 -1.26 -5.00 116.66 109.83 1s2g n ARG 63 Ca -0.04 0.97 -0.34 0.00 -1.93 0.00 0.00 57.85 56.51 1s2g n ARG 63 Cb 0.30 -1.08 0.07 0.00 -1.16 0.00 0.00 32.46 30.58 1s2g n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s2g s SER 64 N -1.62 4.66 0.31 0.55 1.04 -1.26 -4.85 113.70 112.53 1s2g s SER 64 Ca 0.00 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.71 1s2g s SER 64 Cb 0.00 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 64.03 1s2g s SER 64 CO 0.00 -1.94 1.89 -0.03 0.98 0.00 0.00 173.24 174.14 1s2g h MET 65 N 0.07 0.80 -0.06 4.02 4.05 -1.98 -0.81 114.93 121.02 1s2g h MET 65 Ca -0.48 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 58.82 1s2g h MET 65 Cb 1.28 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1s2g h MET 65 CO 0.52 0.67 0.03 0.28 0.23 0.00 0.00 176.91 178.64 1s2g h VAL 66 N 0.79 1.06 -0.37 -5.77 2.07 -1.99 0.35 116.25 112.39 1s2g h VAL 66 Ca 0.19 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1s2g h VAL 66 Cb 0.17 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1s2g h VAL 66 CO -0.02 0.05 0.17 -0.25 0.02 0.00 0.00 177.57 177.55 1s2g h TRP 67 N 0.02 0.54 -0.01 1.57 7.01 -1.85 0.17 115.95 123.40 1s2g h TRP 67 Ca 0.02 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1s2g h TRP 67 Cb 0.05 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 1s2g h TRP 67 CO -0.05 0.46 -0.08 0.00 -2.79 0.00 0.00 178.44 175.98 1s2g h ARG 68 N 0.46 -0.12 0.27 2.65 3.08 -0.95 0.14 114.38 119.90 1s2g h ARG 68 Ca 0.13 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1s2g h ARG 68 Cb 0.13 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1s2g h ARG 68 CO -0.02 -0.08 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.17 1s2g h ASP 69 N -0.13 -0.48 -1.01 7.04 3.32 -0.15 0.18 116.42 125.18 1s2g h ASP 69 Ca 0.03 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1s2g h ASP 69 Cb 0.17 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1s2g h ASP 69 CO -0.08 -0.30 0.66 0.00 -1.72 0.00 0.00 179.24 177.80 1s2g h ALA 70 N 0.24 1.32 -0.04 3.45 0.00 -0.82 0.15 119.26 123.56 1s2g h ALA 70 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1s2g h ALA 70 Cb 0.39 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s2g h ALA 70 CO 0.01 0.58 -0.06 1.15 0.00 0.00 0.00 179.25 180.93 1s2g h THR 71 N 1.30 1.41 -0.56 0.00 2.02 -0.56 -0.50 112.91 116.02 1s2g h THR 71 Ca 0.39 -1.30 0.05 0.00 0.77 0.00 0.00 66.41 66.32 1s2g h THR 71 Cb -0.04 2.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1s2g h THR 71 CO -0.12 0.35 0.30 0.22 0.37 0.00 0.00 175.52 176.64 1s2g h TYR 72 N -0.37 0.54 -0.53 3.16 3.20 -0.78 -1.91 116.97 120.27 1s2g h TYR 72 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1s2g h TYR 72 Cb 0.60 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1s2g h TYR 72 CO 0.11 0.27 0.04 0.37 -1.64 0.00 0.00 178.16 177.30 1s2g h GLN 73 N 0.57 0.88 -0.67 1.82 5.75 -0.68 -0.46 115.11 122.32 1s2g h GLN 73 Ca 0.25 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1s2g h GLN 73 Cb 0.14 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1s2g h GLN 73 CO -0.16 0.85 0.44 -0.91 -2.65 0.00 0.00 178.83 176.41 1s2g h ASN 74 N 0.82 0.67 -0.12 -0.69 2.35 -0.32 0.43 115.58 118.73 1s2g h ASN 74 Ca 0.16 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1s2g h ASN 74 Cb 0.43 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1s2g h ASN 74 CO 0.02 0.46 -0.48 0.44 -1.65 0.00 0.00 177.43 176.22 1s2g h ASP 75 N 0.78 0.63 -0.47 5.81 3.32 -0.80 -1.48 116.42 124.20 1s2g h ASP 75 Ca 0.27 -0.62 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1s2g h ASP 75 Cb 0.11 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1s2g h ASP 75 CO -0.08 1.14 0.16 -0.07 -1.72 0.00 0.00 179.24 178.67 1s2g h LEU 76 N 0.15 0.73 -0.53 1.55 3.38 -0.31 0.07 115.31 120.34 1s2g h LEU 76 Ca -0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1s2g h LEU 76 Cb 1.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1s2g h LEU 76 CO 0.10 0.70 0.05 0.74 0.09 0.00 0.00 178.44 180.12 1s2g h THR 77 N 0.77 1.26 -0.76 0.22 2.02 -0.12 0.31 112.91 116.61 1s2g h THR 77 Ca 0.18 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1s2g h THR 77 Cb 0.24 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1s2g h THR 77 CO -0.01 0.36 0.32 1.23 0.37 0.00 0.00 175.52 177.80 1s2g h GLY 78 N 0.78 1.20 1.06 2.16 0.00 -0.55 0.29 103.07 108.01 1s2g h GLY 78 Ca 0.16 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1s2g h GLY 78 CO 0.02 0.59 -0.06 -2.22 0.00 0.00 0.00 176.54 174.86 1s2g h ILE 79 N 1.10 1.27 -0.21 2.60 2.04 -0.60 0.04 117.51 123.74 1s2g h ILE 79 Ca 0.26 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1s2g h ILE 79 Cb 0.18 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1s2g h ILE 79 CO -0.03 0.42 0.06 -1.28 0.00 0.00 0.00 178.15 177.33 1s2g h SER 80 N 0.85 0.31 0.08 1.72 0.87 0.39 -3.05 113.55 114.72 1s2g h SER 80 Ca 0.14 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.38 1s2g h SER 80 Cb 0.62 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1s2g h SER 80 CO 0.04 0.43 -0.37 0.78 -0.53 0.00 0.00 176.83 177.18 1s2g h ASN 81 N 0.16 0.40 -4.17 6.23 2.35 -0.38 -3.45 115.58 116.72 1s2g h ASN 81 Ca 0.07 -0.16 -0.53 0.00 -0.55 0.00 0.00 56.30 55.13 1s2g h ASN 81 Cb 0.24 -0.11 0.14 0.00 0.05 0.00 0.00 38.32 38.64 1s2g h ASN 81 CO -0.00 0.74 0.41 0.00 -1.65 0.00 0.00 177.43 176.93 1s2g s ALA 82 N -4.26 2.26 -0.11 -0.83 0.00 -0.01 -4.90 121.76 113.90 1s2g s ALA 82 Ca -0.06 0.85 0.20 0.00 0.00 0.00 0.00 51.96 52.95 1s2g s ALA 82 Cb 0.13 -3.44 -0.25 0.00 0.00 0.00 0.00 23.12 19.56 1s2g s ALA 82 CO 0.79 -1.64 0.48 0.25 0.00 0.00 0.00 175.76 175.64 1s2g n THR 83 N -2.45 0.67 -3.78 0.00 -2.24 0.17 -4.97 114.28 101.67 1s2g n THR 83 Ca 0.13 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 1s2g n THR 83 Cb 0.50 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1s2g n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s2g s GLY 85 N -2.89 1.40 -0.19 0.00 0.00 -0.80 -1.12 107.32 103.71 1s2g s GLY 85 Ca 0.11 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1s2g s GLY 85 CO -0.02 -0.91 -0.15 0.14 0.00 0.00 0.00 173.10 172.16 1s2g s VAL 86 N -0.70 1.82 -0.24 1.40 1.01 -0.02 0.21 120.40 123.88 1s2g s VAL 86 Ca 0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1s2g s VAL 86 Cb -0.10 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1s2g s VAL 86 CO 0.00 0.34 -0.05 -0.36 0.00 0.00 0.00 175.10 175.04 1s2g s PHE 87 N 1.35 3.04 -1.03 5.22 0.08 -0.10 -0.34 117.98 126.20 1s2g s PHE 87 Ca 0.01 -1.39 -0.23 0.00 0.12 0.00 0.00 56.93 55.45 1s2g s PHE 87 Cb -0.15 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1s2g s PHE 87 CO -0.10 -0.68 1.55 -0.51 -0.10 0.00 0.00 175.22 175.38 1s2g s LEU 88 N 1.37 3.48 -0.36 -0.37 1.02 -0.25 -0.46 118.68 123.10 1s2g s LEU 88 Ca 0.02 -1.43 -0.24 0.00 0.02 0.00 0.00 54.13 52.50 1s2g s LEU 88 Cb -0.16 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.49 1s2g s LEU 88 CO -0.04 -1.68 0.81 -0.47 0.02 0.00 0.00 176.35 174.99 1s2g s TYR 89 N 5.72 3.11 -0.46 0.29 5.04 0.62 -4.36 117.35 127.31 1s2g s TYR 89 Ca 0.50 0.61 -0.28 0.00 -2.44 0.00 0.00 57.07 55.46 1s2g s TYR 89 Cb -0.01 -3.44 0.03 0.00 0.35 0.00 0.00 41.96 38.89 1s2g s TYR 89 CO -0.07 -0.74 1.08 0.34 -1.34 0.00 0.00 175.55 174.81 1s2g s ASP 90 N 1.84 6.62 0.00 4.32 -1.08 -1.26 0.29 116.67 127.40 1s2g s ASP 90 Ca 0.33 0.43 0.28 0.00 -0.52 0.00 0.00 52.55 53.07 1s2g s ASP 90 Cb -0.13 -2.52 1.13 0.00 -1.46 0.00 0.00 42.92 39.94 1s2g s ASP 90 CO 0.17 -1.17 1.83 0.23 0.52 0.00 0.00 175.17 176.76 1s2g n MET 91 N 7.58 0.20 -0.06 4.34 2.81 0.92 -3.51 117.12 129.39 1s2g n MET 91 Ca 0.10 -0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.73 1s2g n MET 91 Cb 0.49 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.37 1s2g n MET 91 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1s2g n ASP 92 N -1.36 2.02 -3.83 7.83 10.43 -1.26 -4.69 116.55 125.70 1s2g n ASP 92 Ca 0.09 0.21 -0.30 0.00 2.57 0.00 0.00 54.79 57.36 1s2g n ASP 92 Cb 0.31 -0.80 -0.13 0.00 1.84 0.00 0.00 41.12 42.34 1s2g n ASP 92 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s2g s GLN 93 N -2.50 1.61 0.21 -1.24 -2.07 -1.25 -5.10 119.66 109.32 1s2g s GLN 93 Ca -0.28 -2.29 -0.32 0.00 -1.82 0.00 0.00 55.36 50.64 1s2g s GLN 93 Cb 0.08 -2.80 -0.14 0.00 -1.09 0.00 0.00 33.01 29.06 1s2g s GLN 93 CO 0.67 -1.13 1.44 1.28 -1.32 0.00 0.00 175.29 176.22 1s2g n LEU 94 N 3.35 2.94 -4.32 2.60 4.77 -1.23 -4.70 117.00 120.40 1s2g n LEU 94 Ca 0.07 1.12 -0.39 0.00 -0.03 0.00 0.00 56.01 56.78 1s2g n LEU 94 Cb 0.33 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.90 1s2g n LEU 94 CO 0.29 -0.51 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.00 1s2g s ASP 95 N 0.45 5.46 0.49 -1.43 2.15 -1.26 -4.96 116.67 117.57 1s2g s ASP 95 Ca 0.72 -1.04 0.27 0.00 0.43 0.00 0.00 52.55 52.93 1s2g s ASP 95 Cb -0.68 -1.93 1.24 0.00 -0.30 0.00 0.00 42.92 41.24 1s2g s ASP 95 CO 0.46 -0.33 1.97 -2.24 -0.17 0.00 0.00 175.17 174.86 1s2g h ASP 96 N 8.30 0.00 -0.12 -0.34 2.03 -1.98 -2.09 116.42 122.22 1s2g h ASP 96 Ca -0.25 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.04 1s2g h ASP 96 Cb 1.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.59 1s2g h ASP 96 CO 0.63 0.16 0.02 1.23 -1.03 0.00 0.00 179.24 180.25 1s2g h GLY 97 N 1.41 0.21 0.98 7.15 0.00 -1.99 0.15 103.07 110.99 1s2g h GLY 97 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1s2g h GLY 97 CO 0.02 0.13 0.23 1.76 0.00 0.00 0.00 176.54 178.68 1s2g h SER 98 N -0.02 0.76 -0.56 0.19 0.02 -1.89 -1.77 113.55 110.29 1s2g h SER 98 Ca 0.04 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1s2g h SER 98 Cb 0.28 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1s2g h SER 98 CO 0.00 0.71 0.26 0.00 -1.14 0.00 0.00 176.83 176.66 1s2g h ALA 99 N 1.08 1.35 0.05 3.77 0.00 -1.21 -0.65 119.26 123.64 1s2g h ALA 99 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s2g h ALA 99 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s2g h ALA 99 CO -0.02 0.50 -0.02 0.35 0.00 0.00 0.00 179.25 180.06 1s2g h PHE 100 N 0.84 -0.06 -0.45 0.00 3.57 -0.22 -1.62 116.94 119.00 1s2g h PHE 100 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1s2g h PHE 100 Cb 0.13 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1s2g h PHE 100 CO 0.01 -0.02 0.17 0.93 -2.23 0.00 0.00 178.31 177.17 1s2g h GLU 101 N -0.07 0.64 -0.33 1.11 5.08 -0.74 0.09 114.58 120.35 1s2g h GLU 101 Ca -0.01 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1s2g h GLU 101 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1s2g h GLU 101 CO 0.01 0.53 0.10 0.82 -1.00 0.00 0.00 179.01 179.47 1s2g h ILE 102 N 0.63 1.21 -0.60 3.13 2.04 -0.81 0.48 117.51 123.60 1s2g h ILE 102 Ca 0.15 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1s2g h ILE 102 Cb 0.14 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1s2g h ILE 102 CO -0.01 0.23 0.28 1.23 0.00 0.00 0.00 178.15 179.88 1s2g h GLY 103 N 0.38 0.93 0.98 5.37 0.00 -0.56 -1.15 103.07 109.02 1s2g h GLY 103 Ca 0.11 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1s2g h GLY 103 CO -0.00 0.45 0.20 -2.75 0.00 0.00 0.00 176.54 174.44 1s2g h PHE 104 N 0.82 0.44 -0.60 5.60 3.57 -0.79 -1.39 116.94 124.58 1s2g h PHE 104 Ca 0.20 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1s2g h PHE 104 Cb 0.14 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1s2g h PHE 104 CO 0.00 0.31 0.02 0.52 -2.23 0.00 0.00 178.31 176.93 1s2g h MET 105 N 0.43 1.04 -0.09 1.11 2.86 -0.69 -2.67 114.93 116.92 1s2g h MET 105 Ca 0.12 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1s2g h MET 105 Cb -0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1s2g h MET 105 CO -0.02 1.01 -0.36 0.00 1.06 0.00 0.00 176.91 178.60 1s2g h ARG 106 N 0.96 0.18 0.00 1.72 2.47 -1.02 -1.19 114.38 117.51 1s2g h ARG 106 Ca 0.17 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1s2g h ARG 106 Cb 0.53 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1s2g h ARG 106 CO 0.03 0.53 -0.18 0.00 0.56 0.00 0.00 179.97 180.90 1s2g h ALA 107 N 1.47 1.17 -0.07 0.04 0.00 -0.94 0.35 119.26 121.28 1s2g h ALA 107 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s2g h ALA 107 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1s2g h ALA 107 CO 0.05 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 1s2g n MET 108 N -3.55 1.59 -1.28 0.00 2.81 -0.60 -4.91 117.12 111.18 1s2g n MET 108 Ca -0.01 -0.87 -0.10 0.00 -1.81 0.00 0.00 57.70 54.91 1s2g n MET 108 Cb 0.33 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 1s2g n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1s2g n HIS 109 N 0.07 0.00 -3.15 2.03 -0.00 0.11 -5.01 115.22 109.27 1s2g n HIS 109 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.56 1s2g n HIS 109 Cb 0.31 -1.94 -0.06 0.00 -0.00 0.00 0.00 29.99 28.30 1s2g n HIS 109 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1s2g s LYS 110 N -2.72 4.12 0.49 -0.41 1.02 -0.55 -5.00 119.74 116.69 1s2g s LYS 110 Ca 0.00 0.74 -0.22 0.00 0.02 0.00 0.00 55.97 56.50 1s2g s LYS 110 Cb 0.00 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1s2g s LYS 110 CO 0.00 0.31 1.21 -1.25 -0.92 0.00 0.00 175.35 174.70 1s2g s PRO 111 N -2.38 3.55 -0.11 -1.68 0.04 -1.26 -4.30 135.00 128.86 1s2g s PRO 111 Ca 0.47 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1s2g s PRO 111 Cb -0.14 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.10 1s2g s PRO 111 CO 0.19 -0.75 -0.09 0.08 0.04 0.00 0.00 177.00 176.47 1s2g s VAL 112 N -1.50 1.11 -0.35 -0.36 1.01 -1.26 -1.90 120.40 117.14 1s2g s VAL 112 Ca 0.67 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1s2g s VAL 112 Cb -0.31 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1s2g s VAL 112 CO 0.37 0.38 0.37 -0.63 0.00 0.00 0.00 175.10 175.59 1s2g s ILE 113 N 1.55 5.16 -0.12 2.22 -1.09 0.13 -1.56 121.20 127.49 1s2g s ILE 113 Ca 0.03 -0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.25 1s2g s ILE 113 Cb -0.13 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1s2g s ILE 113 CO -0.07 -0.14 0.47 -0.22 -1.23 0.00 0.00 174.94 173.75 1s2g s LEU 114 N 2.03 4.28 -0.60 2.97 2.96 0.15 -0.92 118.68 129.54 1s2g s LEU 114 Ca 0.12 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1s2g s LEU 114 Cb -0.17 -2.68 0.15 0.00 0.50 0.00 0.00 46.19 44.00 1s2g s LEU 114 CO 0.12 0.01 0.38 -0.69 -1.32 0.00 0.00 176.35 174.84 1s2g s VAL 115 N 0.60 2.51 0.31 1.68 1.01 0.39 -0.38 120.40 126.52 1s2g s VAL 115 Ca 0.25 -3.68 -0.29 0.00 0.00 0.00 0.00 61.98 58.26 1s2g s VAL 115 Cb -0.15 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 1s2g s VAL 115 CO 0.10 -0.93 1.18 -2.16 0.00 0.00 0.00 175.10 173.29 1s2g s PRO 116 N -0.78 4.47 -0.01 2.72 0.04 -1.25 -0.28 135.00 139.91 1s2g s PRO 116 Ca 0.22 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1s2g s PRO 116 Cb -0.14 -3.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1s2g s PRO 116 CO -0.09 0.01 -0.09 -0.06 0.04 0.00 0.00 177.00 176.81 1s2g s PHE 117 N -1.18 0.83 -0.06 0.56 0.08 0.15 -0.20 117.98 118.15 1s2g s PHE 117 Ca 0.47 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 57.28 1s2g s PHE 117 Cb -0.35 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.56 1s2g s PHE 117 CO 0.45 -0.04 0.20 -0.08 -0.10 0.00 0.00 175.22 175.64 1s2g s THR 118 N -0.05 0.02 -2.84 0.64 -1.32 -1.26 -0.06 115.64 110.77 1s2g s THR 118 Ca 0.01 -0.14 0.24 0.00 -1.21 0.00 0.00 61.69 60.60 1s2g s THR 118 Cb -0.05 -0.33 0.22 0.00 -1.51 0.00 0.00 72.50 70.83 1s2g s THR 118 CO -0.00 -0.07 1.32 -1.84 -2.21 0.00 0.00 174.62 171.81 1s2g n GLU 119 N 2.64 2.13 -3.31 7.08 0.00 -1.26 -4.45 120.64 123.47 1s2g n GLU 119 Ca -0.15 -1.71 -0.26 0.00 0.00 0.00 0.00 57.16 55.05 1s2g n GLU 119 Cb 0.58 -1.46 -0.07 0.00 0.00 0.00 0.00 31.44 30.48 1s2g n GLU 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1s2g n HIS 120 N 1.06 2.67 0.32 -1.84 8.25 -1.26 -4.92 115.22 119.49 1s2g n HIS 120 Ca 0.14 -4.00 0.19 0.00 -0.26 0.00 0.00 57.72 53.80 1s2g n HIS 120 Cb 0.55 -0.50 1.01 0.00 1.12 0.00 0.00 29.99 32.17 1s2g n HIS 120 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1s2g h PRO 121 N 3.97 0.00 0.00 -0.41 0.11 -2.01 -1.22 132.00 132.44 1s2g h PRO 121 Ca 0.16 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 1s2g h PRO 121 Cb 0.70 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1s2g h PRO 121 CO 0.74 0.00 -0.55 1.05 -0.21 0.00 0.00 178.00 179.03 1s2g h GLU 122 N 0.00 0.00 -7.30 1.05 9.09 -1.98 -3.47 114.58 111.98 1s2g h GLU 122 Ca 0.01 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.91 1s2g h GLU 122 Cb 0.33 0.00 0.16 0.00 -1.65 0.00 0.00 28.75 27.59 1s2g h GLU 122 CO -0.00 0.55 0.28 0.15 0.05 0.00 0.00 179.01 180.04 1s2g s LYS 123 N -2.96 1.74 0.31 1.06 1.02 -0.46 -4.94 119.74 115.51 1s2g s LYS 123 Ca 0.03 1.30 -0.28 0.00 0.02 0.00 0.00 55.97 57.04 1s2g s LYS 123 Cb 0.08 -1.83 -0.13 0.00 -0.52 0.00 0.00 37.83 35.43 1s2g s LYS 123 CO 0.75 -2.05 1.17 -1.91 -0.92 0.00 0.00 175.35 172.40 1s2g n GLU 124 N -3.81 1.78 -3.12 1.68 2.13 -1.26 -4.93 120.64 113.10 1s2g n GLU 124 Ca 0.10 0.62 -0.43 0.00 0.66 0.00 0.00 57.16 58.12 1s2g n GLU 124 Cb 0.53 -2.12 -0.07 0.00 0.27 0.00 0.00 31.44 30.05 1s2g n GLU 124 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1s2g s LYS 125 N -1.65 3.34 0.04 5.31 1.02 -1.26 -5.03 119.74 121.50 1s2g s LYS 125 Ca 0.58 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 56.25 1s2g s LYS 125 Cb -0.63 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 32.73 1s2g s LYS 125 CO 0.61 -0.95 -0.06 0.15 -0.92 0.00 0.00 175.35 174.18 1s2g s LYS 126 N 2.76 0.47 -0.14 1.68 1.02 -1.26 0.22 119.74 124.50 1s2g s LYS 126 Ca 0.22 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.31 1s2g s LYS 126 Cb -0.14 -0.10 0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1s2g s LYS 126 CO 0.18 -0.00 0.38 1.41 -0.92 0.00 0.00 175.35 176.40 1s2g s MET 127 N -1.83 0.45 0.34 1.68 1.75 -0.49 -4.87 119.30 116.33 1s2g s MET 127 Ca -0.10 0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 54.57 1s2g s MET 127 Cb -0.08 0.22 -0.11 0.00 2.84 0.00 0.00 34.83 37.70 1s2g s MET 127 CO -0.01 -0.06 1.50 1.21 -0.65 0.00 0.00 175.02 177.01 1s2g s ASN 128 N 0.17 6.42 0.26 1.11 2.47 -1.26 -4.31 114.94 119.79 1s2g s ASN 128 Ca -0.00 2.96 -0.02 0.00 0.42 0.00 0.00 52.86 56.21 1s2g s ASN 128 Cb -0.03 -2.65 0.51 0.00 -1.45 0.00 0.00 41.25 37.63 1s2g s ASN 128 CO 0.01 -0.84 1.75 0.25 -3.72 0.00 0.00 177.10 174.54 1s2g h LEU 129 N 3.78 0.44 -1.31 3.21 5.85 -1.94 -0.88 115.31 124.46 1s2g h LEU 129 Ca -0.49 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1s2g h LEU 129 Cb 1.23 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 1s2g h LEU 129 CO 0.70 0.18 0.48 0.24 -0.34 0.00 0.00 178.44 179.70 1s2g h MET 130 N 0.56 0.91 -0.00 1.25 2.86 -1.98 0.18 114.93 118.70 1s2g h MET 130 Ca 0.45 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.95 1s2g h MET 130 Cb 0.65 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1s2g h MET 130 CO -0.38 0.60 -0.31 0.82 1.06 0.00 0.00 176.91 178.70 1s2g h ILE 131 N 0.93 1.52 0.00 -1.22 1.08 -1.68 0.99 117.51 119.14 1s2g h ILE 131 Ca 0.28 -1.96 -0.01 0.00 -0.39 0.00 0.00 64.86 62.78 1s2g h ILE 131 Cb -0.03 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1s2g h ILE 131 CO -0.07 0.54 -0.03 0.00 -0.69 0.00 0.00 178.15 177.90 1s2g h ALA 132 N 0.27 1.88 0.01 1.87 0.00 -0.75 -1.36 119.26 121.18 1s2g h ALA 132 Ca -0.04 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1s2g h ALA 132 Cb 1.06 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1s2g h ALA 132 CO 0.06 0.04 -2.33 0.94 0.00 0.00 0.00 179.25 177.96 1s2g n GLN 133 N -4.40 0.67 -0.16 0.00 -0.06 0.58 -4.20 117.38 109.82 1s2g n GLN 133 Ca -0.03 0.11 -0.10 0.00 -2.00 0.00 0.00 57.00 54.98 1s2g n GLN 133 Cb 0.12 -1.56 -0.00 0.00 -4.06 0.00 0.00 30.24 24.73 1s2g n GLN 133 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1s2g h GLY 134 N 2.85 0.83 -3.69 1.69 0.00 -0.64 -3.43 103.07 100.67 1s2g h GLY 134 Ca -0.53 -0.56 -0.54 0.00 0.00 0.00 0.00 47.33 45.69 1s2g h GLY 134 CO -0.01 0.52 0.74 -0.62 0.00 0.00 0.00 176.54 177.18 1s2g n VAL 135 N -4.44 2.44 -0.04 4.60 0.31 -0.53 -4.80 118.33 115.87 1s2g n VAL 135 Ca 0.00 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1s2g n VAL 135 Cb 0.26 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.13 1s2g n VAL 135 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1s2g n THR 136 N 0.09 0.49 -3.72 2.52 -2.24 -0.60 -4.74 114.28 106.08 1s2g n THR 136 Ca 0.03 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1s2g n THR 136 Cb 0.40 -0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 1s2g n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1s2g s THR 137 N -2.94 -0.11 -0.11 4.28 2.01 -0.88 0.06 115.64 117.95 1s2g s THR 137 Ca -0.08 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1s2g s THR 137 Cb 0.09 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1s2g s THR 137 CO 0.75 0.08 -0.07 -0.51 -0.69 0.00 0.00 174.62 174.18 1s2g s ILE 138 N 1.47 3.67 -0.26 1.82 2.07 -0.44 0.31 121.20 129.84 1s2g s ILE 138 Ca -0.07 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.69 1s2g s ILE 138 Cb -0.11 -2.55 0.08 0.00 0.13 0.00 0.00 42.46 40.02 1s2g s ILE 138 CO -0.08 0.54 0.06 -0.63 -1.91 0.00 0.00 174.94 172.93 1s2g s ILE 139 N -0.16 0.80 -0.21 2.00 1.01 0.49 -4.93 121.20 120.20 1s2g s ILE 139 Ca 0.02 -1.08 -0.37 0.00 0.00 0.00 0.00 60.65 59.22 1s2g s ILE 139 Cb -0.13 -1.45 -0.13 0.00 0.01 0.00 0.00 42.46 40.76 1s2g s ILE 139 CO 0.03 -0.46 1.89 -0.67 0.00 0.00 0.00 174.94 175.73 1s2g n ASP 140 N 4.91 2.80 0.01 3.58 -0.08 -1.26 -3.91 116.55 122.59 1s2g n ASP 140 Ca -0.06 0.91 -0.00 0.00 -1.51 0.00 0.00 54.79 54.13 1s2g n ASP 140 Cb 0.44 -1.26 0.29 0.00 2.34 0.00 0.00 41.12 42.93 1s2g n ASP 140 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1s2g h GLY 141 N 9.05 0.55 1.89 0.27 0.00 -0.81 0.32 103.07 114.34 1s2g h GLY 141 Ca -0.44 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 1s2g h GLY 141 CO 0.97 0.31 -0.68 3.43 0.00 0.00 0.00 176.54 180.57 1s2g h ASN 142 N 0.48 0.12 0.00 0.19 2.35 -1.88 -3.27 115.58 113.58 1s2g h ASN 142 Ca 0.10 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1s2g h ASN 142 Cb 0.37 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1s2g h ASN 142 CO 0.01 0.77 -1.15 0.41 -1.65 0.00 0.00 177.43 175.82 1s2g n THR 143 N -3.77 0.11 -1.65 2.81 -1.04 -1.15 -4.80 114.28 104.80 1s2g n THR 143 Ca -0.02 -0.09 0.06 0.00 -2.04 0.00 0.00 64.05 61.96 1s2g n THR 143 Cb 0.67 -0.45 0.13 0.00 -1.82 0.00 0.00 70.33 68.86 1s2g n THR 143 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s2g n GLU 144 N -1.91 1.02 -0.30 -2.82 1.02 0.11 -4.81 120.64 112.94 1s2g n GLU 144 Ca -0.03 -2.57 0.12 0.00 -0.02 0.00 0.00 57.16 54.66 1s2g n GLU 144 Cb 0.40 -1.16 0.28 0.00 -0.02 0.00 0.00 31.44 30.94 1s2g n GLU 144 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1s2g h PHE 145 N 0.57 0.67 -0.77 -0.32 3.57 -1.50 -0.49 116.94 118.67 1s2g h PHE 145 Ca -0.04 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.70 1s2g h PHE 145 Cb 1.21 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1s2g h PHE 145 CO 0.35 0.01 0.54 0.93 -2.23 0.00 0.00 178.31 177.90 1s2g h GLU 146 N 0.45 0.15 -0.49 1.11 3.07 -1.89 -2.40 114.58 114.58 1s2g h GLU 146 Ca 0.53 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.52 1s2g h GLU 146 Cb 0.95 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 1s2g h GLU 146 CO -0.49 0.10 0.41 0.87 -1.40 0.00 0.00 179.01 178.51 1s2g h LYS 147 N 0.16 0.00 -0.06 2.33 1.57 -1.47 -0.81 116.57 118.29 1s2g h LYS 147 Ca 0.38 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1s2g h LYS 147 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1s2g h LYS 147 CO -0.06 0.00 0.33 -0.07 -0.57 0.00 0.00 179.45 179.08 1s2g h LEU 148 N 0.00 0.00 0.00 2.94 3.38 -1.62 0.17 115.31 120.19 1s2g h LEU 148 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1s2g h LEU 148 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1s2g h LEU 148 CO -0.00 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.70 1s2g h ALA 149 N 1.39 0.56 0.00 1.53 0.00 -1.29 -3.37 119.26 118.08 1s2g h ALA 149 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 1s2g h ALA 149 Cb 0.69 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1s2g h ALA 149 CO -0.00 0.92 -2.05 -0.25 0.00 0.00 0.00 179.25 177.87 1s2g n ASP 150 N -3.23 0.94 -4.62 0.00 8.00 0.35 -3.97 116.55 114.03 1s2g n ASP 150 Ca -0.01 0.00 -0.56 0.00 0.71 0.00 0.00 54.79 54.93 1s2g n ASP 150 Cb 0.83 1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.99 1s2g n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s2g n TYR 151 N -2.49 1.52 -2.43 1.24 9.36 0.20 -4.85 117.16 119.72 1s2g n TYR 151 Ca -0.21 0.74 -0.41 0.00 3.32 0.00 0.00 57.90 61.35 1s2g n TYR 151 Cb 0.90 -2.31 -0.03 0.00 -0.63 0.00 0.00 39.34 37.27 1s2g n TYR 151 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s2g s ASN 152 N 1.48 5.98 0.00 2.98 3.84 -1.26 -4.83 114.94 123.12 1s2g s ASN 152 Ca 0.92 -0.21 0.31 0.00 0.21 0.00 0.00 52.86 54.09 1s2g s ASN 152 Cb -1.10 -2.55 1.86 0.00 -0.55 0.00 0.00 41.25 38.91 1s2g s ASN 152 CO 0.57 -1.93 2.19 0.49 -2.79 0.00 0.00 177.10 175.63 1s2g n PHE 153 N 10.08 0.00 0.20 0.43 3.72 -1.26 -1.13 117.46 129.49 1s2g n PHE 153 Ca 0.08 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.56 1s2g n PHE 153 Cb 0.50 -0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.23 1s2g n PHE 153 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1s2g h ASN 154 N 0.00 0.00 0.00 4.37 2.35 -1.89 -3.36 115.58 117.06 1s2g h ASN 154 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s2g h ASN 154 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s2g h ASN 154 CO 0.00 0.20 -0.44 -0.62 -1.65 0.00 0.00 177.43 174.92 1s2g n GLU 155 N -3.18 3.09 -3.71 0.81 1.02 -1.16 -4.92 120.64 112.59 1s2g n GLU 155 Ca 0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1s2g n GLU 155 Cb 0.57 -0.70 0.02 0.00 -0.02 0.00 0.00 31.44 31.32 1s2g n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s2g n PRO 157 N -3.65 2.12 -1.79 0.00 -0.04 -1.26 -4.94 135.00 125.43 1s2g n PRO 157 Ca -0.14 0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 63.75 1s2g n PRO 157 Cb 0.60 -2.38 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1s2g n PRO 157 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s2g s SER 158 N 0.05 5.79 -0.42 3.54 1.04 -1.26 -4.82 113.70 117.62 1s2g s SER 158 Ca 0.62 1.58 0.07 0.00 0.48 0.00 0.00 55.95 58.71 1s2g s SER 158 Cb -0.60 -2.49 0.18 0.00 0.10 0.00 0.00 66.02 63.20 1s2g s SER 158 CO 0.55 -1.16 0.62 0.21 0.98 0.00 0.00 173.24 174.43 1s2g s ASN 159 N -3.72 -1.25 0.31 7.02 2.47 0.11 -4.93 114.94 114.96 1s2g s ASN 159 Ca 0.58 -1.01 -0.28 0.00 0.42 0.00 0.00 52.86 52.57 1s2g s ASN 159 Cb -0.13 1.80 -0.13 0.00 -1.45 0.00 0.00 41.25 41.34 1s2g s ASN 159 CO 0.50 -0.16 1.11 -2.65 -3.72 0.00 0.00 177.10 172.18 1s2g n PRO 160 N 4.18 1.63 -2.11 0.43 -0.02 -1.24 -1.33 135.00 136.54 1s2g n PRO 160 Ca 0.12 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1s2g n PRO 160 Cb 0.56 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1s2g n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s2g s VAL 161 N -1.07 2.86 0.10 -1.45 1.01 -1.26 -4.82 120.40 115.77 1s2g s VAL 161 Ca 0.57 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 63.15 1s2g s VAL 161 Cb -0.65 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1s2g s VAL 161 CO 0.61 0.14 0.39 -0.13 0.00 0.00 0.00 175.10 176.10 1s2g s ARG 162 N -0.72 1.02 0.00 2.72 0.52 -1.26 -4.92 118.95 116.30 1s2g s ARG 162 Ca 0.55 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1s2g s ARG 162 Cb -0.39 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.52 1s2g s ARG 162 CO 0.44 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1s2g n GLY 163 N -0.05 0.86 3.58 -3.53 0.00 -1.26 -5.03 105.19 99.76 1s2g n GLY 163 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1s2g n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2g s TYR 164 N -3.42 3.14 0.59 1.61 2.02 -1.26 -4.87 117.35 115.16 1s2g s TYR 164 Ca 0.00 -0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 1s2g s TYR 164 Cb 0.00 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1s2g s TYR 164 CO 0.00 0.11 1.16 0.20 -1.57 0.00 0.00 175.55 175.45 1s2g s GLY 165 N 0.21 2.60 -0.11 0.71 0.00 0.13 -4.76 107.32 106.11 1s2g s GLY 165 Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1s2g s GLY 165 CO 0.02 1.24 -0.10 -0.42 0.00 0.00 0.00 173.10 173.84 1s2g s ILE 166 N -1.79 1.13 -2.40 0.90 1.01 -1.26 -1.39 121.20 117.40 1s2g s ILE 166 Ca 0.74 -0.38 0.29 0.00 0.00 0.00 0.00 60.65 61.30 1s2g s ILE 166 Cb -0.26 -1.10 0.63 0.00 0.01 0.00 0.00 42.46 41.73 1s2g s ILE 166 CO 0.32 0.38 1.85 0.00 0.00 0.00 0.00 174.94 177.49