#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5c n ASP 2 N 0.00 2.60 -4.64 6.41 5.75 -1.25 -4.38 116.55 121.04 1s5c n ASP 2 Ca 0.00 -2.30 -0.30 0.00 -0.01 0.00 0.00 54.79 52.18 1s5c n ASP 2 Cb 0.00 -0.56 0.18 0.00 -1.03 0.00 0.00 41.12 39.71 1s5c n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1s5c s ASP 3 N 0.05 2.56 -0.08 -1.12 1.01 -1.26 -4.96 116.67 112.88 1s5c s ASP 3 Ca 0.14 1.69 -0.07 0.00 0.71 0.00 0.00 52.55 55.02 1s5c s ASP 3 Cb 0.11 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.74 1s5c s ASP 3 CO 0.03 -3.24 0.21 -0.54 0.21 0.00 0.00 175.17 171.84 1s5c s LYS 4 N -4.71 0.24 0.55 8.23 1.02 -1.26 -3.32 119.74 120.50 1s5c s LYS 4 Ca 0.66 0.30 0.06 0.00 0.02 0.00 0.00 55.97 57.01 1s5c s LYS 4 Cb -0.21 0.11 0.05 0.00 -0.52 0.00 0.00 37.83 37.25 1s5c s LYS 4 CO 0.60 -0.04 0.45 -0.51 -0.92 0.00 0.00 175.35 174.93 1s5c s LEU 5 N 0.17 2.71 -0.14 3.17 1.43 0.12 -4.75 118.68 121.38 1s5c s LEU 5 Ca -0.00 -1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 51.76 1s5c s LEU 5 Cb -0.02 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 45.05 1s5c s LEU 5 CO -0.00 -1.16 0.36 -0.31 0.23 0.00 0.00 176.35 175.47 1s5c s TYR 6 N -2.78 -0.45 -0.15 0.29 2.02 -0.78 -1.61 117.35 113.90 1s5c s TYR 6 Ca 0.36 1.03 -0.05 0.00 -0.37 0.00 0.00 57.07 58.05 1s5c s TYR 6 Cb -0.03 0.16 0.07 0.00 -0.40 0.00 0.00 41.96 41.77 1s5c s TYR 6 CO 0.23 -0.24 0.27 0.50 -1.57 0.00 0.00 175.55 174.74 1s5c s ARG 7 N 0.71 0.17 0.32 -0.62 3.52 -0.65 -0.36 118.95 122.05 1s5c s ARG 7 Ca -0.04 0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 55.96 1s5c s ARG 7 Cb -0.05 -0.17 -0.10 0.00 -1.56 0.00 0.00 34.95 33.06 1s5c s ARG 7 CO -0.05 -0.34 1.22 0.00 -0.81 0.00 0.00 175.30 175.32 1s5c s ALA 8 N 2.42 3.43 -0.28 6.12 0.00 -1.26 -1.10 121.76 131.10 1s5c s ALA 8 Ca 0.02 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 1s5c s ALA 8 Cb -0.13 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.68 1s5c s ALA 8 CO -0.09 -0.46 0.77 0.34 0.00 0.00 0.00 175.76 176.32 1s5c s ASP 9 N -0.69 -0.82 0.51 0.00 -1.08 0.18 -4.67 116.67 110.11 1s5c s ASP 9 Ca 0.48 1.33 0.30 0.00 -0.52 0.00 0.00 52.55 54.14 1s5c s ASP 9 Cb -0.36 1.34 1.21 0.00 -1.46 0.00 0.00 42.92 43.64 1s5c s ASP 9 CO 0.47 -0.21 1.93 0.77 0.52 0.00 0.00 175.17 178.65 1s5c h SER 10 N 6.57 0.00 -3.26 -0.34 4.64 -1.90 -1.56 113.55 117.69 1s5c h SER 10 Ca -0.29 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.47 1s5c h SER 10 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1s5c h SER 10 CO 0.16 0.08 0.54 -0.13 -0.87 0.00 0.00 176.83 176.61 1s5c s ARG 11 N -3.67 4.44 0.69 4.77 0.52 -1.26 -4.83 118.95 119.62 1s5c s ARG 11 Ca 0.01 1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 56.57 1s5c s ARG 11 Cb 0.09 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 32.05 1s5c s ARG 11 CO 0.58 -0.27 1.06 -1.25 0.02 0.00 0.00 175.30 175.44 1s5c s PRO 12 N 1.77 2.93 0.42 3.54 0.04 -1.26 -4.82 135.00 137.62 1s5c s PRO 12 Ca 0.51 0.98 0.21 0.00 0.04 0.00 0.00 61.00 62.73 1s5c s PRO 12 Cb -0.20 -1.99 1.17 0.00 0.04 0.00 0.00 34.50 33.52 1s5c s PRO 12 CO 0.21 -1.10 1.77 -1.35 0.04 0.00 0.00 177.00 176.57 1s5c h PRO 13 N -0.68 0.32 -0.29 0.56 0.11 -1.98 -2.48 132.00 127.57 1s5c h PRO 13 Ca -0.44 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1s5c h PRO 13 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s5c h PRO 13 CO 0.57 0.21 -0.48 0.38 -0.21 0.00 0.00 178.00 178.47 1s5c h ASP 14 N 0.33 0.86 -0.34 -2.05 2.03 -2.00 -1.90 116.42 113.36 1s5c h ASP 14 Ca 0.60 -0.43 -0.11 0.00 -0.73 0.00 0.00 57.03 56.36 1s5c h ASP 14 Cb 1.63 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.87 1s5c h ASP 14 CO -0.27 1.20 -0.18 -0.08 -1.03 0.00 0.00 179.24 178.88 1s5c h GLU 15 N 0.62 0.81 -0.32 4.15 4.81 -1.83 -2.03 114.58 120.80 1s5c h GLU 15 Ca 0.03 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1s5c h GLU 15 Cb 1.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1s5c h GLU 15 CO 0.10 0.93 0.07 0.82 -0.73 0.00 0.00 179.01 180.20 1s5c h ILE 16 N 0.72 1.23 -0.99 2.32 1.08 -1.39 0.38 117.51 120.85 1s5c h ILE 16 Ca 0.11 -0.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1s5c h ILE 16 Cb 0.69 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.51 1s5c h ILE 16 CO 0.05 0.26 0.64 0.11 -0.69 0.00 0.00 178.15 178.52 1s5c h LYS 17 N 0.37 1.31 -0.20 2.37 6.56 -1.30 -0.68 116.57 124.99 1s5c h LYS 17 Ca 0.10 -0.09 -0.09 0.00 -1.06 0.00 0.00 60.65 59.51 1s5c h LYS 17 Cb 0.32 -0.29 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1s5c h LYS 17 CO 0.00 0.88 -0.27 0.37 -2.06 0.00 0.00 179.45 178.37 1s5c h GLN 18 N 1.35 0.38 0.00 3.15 4.15 -1.09 -2.93 115.11 120.11 1s5c h GLN 18 Ca 0.36 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1s5c h GLN 18 Cb -0.13 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1s5c h GLN 18 CO -0.08 0.62 -0.28 0.43 -1.93 0.00 0.00 178.83 177.60 1s5c n SER 19 N -4.12 0.30 0.00 -0.69 7.64 0.10 -4.93 113.62 111.93 1s5c n SER 19 Ca -0.01 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1s5c n SER 19 Cb 0.40 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1s5c n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5c n GLY 20 N 1.49 0.98 0.00 0.23 0.00 -0.87 -4.94 105.19 102.08 1s5c n GLY 20 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s5c n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5c n GLY 21 N -2.00 -0.20 3.36 -0.02 0.00 -0.32 -1.41 105.19 104.60 1s5c n GLY 21 Ca 0.00 -1.17 -0.45 0.00 0.00 0.00 0.00 46.02 44.40 1s5c n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5c s LEU 22 N 0.00 5.74 0.23 0.99 1.43 -0.58 -4.62 118.68 121.87 1s5c s LEU 22 Ca 0.00 -1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 51.25 1s5c s LEU 22 Cb 0.00 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1s5c s LEU 22 CO 0.00 -0.97 0.51 -0.04 0.23 0.00 0.00 176.35 176.08 1s5c s MET 23 N 2.05 3.70 0.77 1.70 -1.94 -1.26 -1.91 119.30 122.41 1s5c s MET 23 Ca 0.13 0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1s5c s MET 23 Cb -0.21 -2.69 0.06 0.00 2.01 0.00 0.00 34.83 33.99 1s5c s MET 23 CO 0.01 0.31 1.08 -2.14 -0.01 0.00 0.00 175.02 174.28 1s5c s PRO 24 N -3.05 2.28 0.24 2.03 0.02 -1.26 -4.98 135.00 130.28 1s5c s PRO 24 Ca 0.45 0.86 -0.06 0.00 0.02 0.00 0.00 61.00 62.27 1s5c s PRO 24 Cb -0.11 -1.92 0.30 0.00 0.02 0.00 0.00 34.50 32.79 1s5c s PRO 24 CO 0.25 -1.54 1.87 -0.09 -0.33 0.00 0.00 177.00 177.16 1s5c h ARG 25 N -1.04 1.04 -1.38 5.54 2.43 -1.66 -3.49 114.38 115.83 1s5c h ARG 25 Ca -0.46 -0.06 0.14 0.00 -0.81 0.00 0.00 59.98 58.79 1s5c h ARG 25 Cb 1.24 -0.24 -0.23 0.00 -0.42 0.00 0.00 29.97 30.33 1s5c h ARG 25 CO 0.56 0.69 0.12 1.41 -1.51 0.00 0.00 179.97 181.25 1s5c s MET 37 N -6.08 0.40 0.11 0.20 1.75 -1.26 -5.03 119.30 109.39 1s5c s MET 37 Ca -0.13 0.96 -0.31 0.00 -1.25 0.00 0.00 55.69 54.96 1s5c s MET 37 Cb 0.18 0.53 -0.08 0.00 2.84 0.00 0.00 34.83 38.30 1s5c s MET 37 CO 0.80 -0.13 1.40 1.21 -0.65 0.00 0.00 175.02 177.64 1s5c s ASN 38 N 2.46 6.82 -0.23 1.11 3.04 -1.26 -4.95 114.94 121.93 1s5c s ASN 38 Ca -0.04 2.32 0.02 0.00 0.04 0.00 0.00 52.86 55.20 1s5c s ASN 38 Cb -0.08 -2.59 0.05 0.00 -1.54 0.00 0.00 41.25 37.10 1s5c s ASN 38 CO -0.18 -0.66 -0.10 -0.63 -3.04 0.00 0.00 177.10 172.49 1s5c s ILE 39 N 1.16 1.85 -0.30 -5.21 1.01 -1.26 -1.29 121.20 117.16 1s5c s ILE 39 Ca 0.65 -1.30 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 1s5c s ILE 39 Cb -0.37 -1.96 0.15 0.00 0.01 0.00 0.00 42.46 40.29 1s5c s ILE 39 CO 0.30 0.05 0.65 0.21 0.00 0.00 0.00 174.94 176.15 1s5c s ASN 40 N 1.27 -1.19 0.18 3.58 3.84 -1.03 -4.44 114.94 117.15 1s5c s ASN 40 Ca -0.05 1.31 -0.09 0.00 0.21 0.00 0.00 52.86 54.24 1s5c s ASN 40 Cb -0.18 2.23 0.07 0.00 -0.55 0.00 0.00 41.25 42.81 1s5c s ASN 40 CO -0.07 -0.23 1.61 0.25 -2.79 0.00 0.00 177.10 175.88 1s5c h LEU 41 N 7.98 1.01 -0.08 3.21 5.85 -1.65 -1.99 115.31 129.65 1s5c h LEU 41 Ca -0.19 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1s5c h LEU 41 Cb 1.12 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1s5c h LEU 41 CO 0.15 1.12 0.04 0.22 -0.34 0.00 0.00 178.44 179.63 1s5c h TYR 42 N 0.90 0.12 -0.77 1.25 3.20 -1.42 -1.28 116.97 118.97 1s5c h TYR 42 Ca 0.14 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1s5c h TYR 42 Cb 0.67 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1s5c h TYR 42 CO 0.04 0.20 0.34 -0.44 -1.64 0.00 0.00 178.16 176.66 1s5c h ASP 43 N 0.00 1.02 -0.71 -2.11 3.32 -1.80 -1.77 116.42 114.37 1s5c h ASP 43 Ca 0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1s5c h ASP 43 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1s5c h ASP 43 CO -0.00 0.88 0.39 -0.74 -1.72 0.00 0.00 179.24 178.04 1s5c h HIS 44 N 1.10 0.97 0.00 4.55 -0.00 -1.15 -1.75 115.15 118.87 1s5c h HIS 44 Ca 0.26 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.44 1s5c h HIS 44 Cb 0.15 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1s5c h HIS 44 CO 0.02 0.69 -0.80 0.00 -0.00 0.00 0.00 177.93 177.84 1s5c h ALA 45 N 1.19 0.66 -0.03 5.26 0.00 -0.81 -3.15 119.26 122.39 1s5c h ALA 45 Ca 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1s5c h ALA 45 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s5c h ALA 45 CO -0.04 1.00 -0.08 2.89 0.00 0.00 0.00 179.25 183.01 1s5c n ARG 46 N -3.56 2.03 -1.77 0.00 1.85 -0.71 -4.64 116.66 109.87 1s5c n ARG 46 Ca -0.00 -1.62 -0.36 0.00 -1.00 0.00 0.00 57.85 54.86 1s5c n ARG 46 Cb 0.78 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.78 1s5c n ARG 46 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1s5c s GLY 47 N -2.09 2.73 0.48 2.89 0.00 -0.66 -4.94 107.32 105.73 1s5c s GLY 47 Ca 0.28 1.09 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 1s5c s GLY 47 CO 0.35 1.51 1.12 -1.59 0.00 0.00 0.00 173.10 174.49 1s5c s THR 48 N -1.56 3.32 -0.09 0.90 2.01 -1.26 -5.03 115.64 113.93 1s5c s THR 48 Ca 0.80 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.71 1s5c s THR 48 Cb -0.34 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1s5c s THR 48 CO 0.39 -0.10 -0.10 -1.58 -0.69 0.00 0.00 174.62 172.54 1s5c s GLN 49 N -2.96 1.62 0.00 4.92 0.74 -1.26 -4.88 119.66 117.84 1s5c s GLN 49 Ca 0.67 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.74 1s5c s GLN 49 Cb -0.24 -1.49 0.00 0.00 1.10 0.00 0.00 33.01 32.38 1s5c s GLN 49 CO 0.29 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 1s5c n GLY 51 N 4.35 0.00 3.29 2.59 0.00 -1.26 -4.95 105.19 109.21 1s5c n GLY 51 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1s5c n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s5c s PHE 52 N 0.00 -0.34 0.12 1.61 5.99 -1.26 -4.83 117.98 119.27 1s5c s PHE 52 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 56.93 57.33 1s5c s PHE 52 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 43.02 43.11 1s5c s PHE 52 CO 0.00 -0.33 1.04 0.08 -0.00 0.00 0.00 175.22 176.01 1s5c s VAL 53 N -0.64 4.23 -0.02 3.12 1.01 -1.26 -4.81 120.40 122.03 1s5c s VAL 53 Ca -0.07 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1s5c s VAL 53 Cb -0.04 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1s5c s VAL 53 CO 0.03 0.27 0.07 -1.14 0.00 0.00 0.00 175.10 174.33 1s5c n ARG 54 N 2.84 0.00 -0.94 2.72 0.63 -1.26 -4.83 116.66 115.81 1s5c n ARG 54 Ca 0.03 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1s5c n ARG 54 Cb 0.48 -0.05 -0.00 0.00 0.45 0.00 0.00 32.46 33.34 1s5c n ARG 54 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1s5c n HIS 55 N 0.27 0.00 -3.35 -0.14 1.44 -1.26 -2.26 115.22 109.92 1s5c n HIS 55 Ca 0.02 -0.25 -0.22 0.00 -2.01 0.00 0.00 57.72 55.26 1s5c n HIS 55 Cb -0.00 0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1s5c n HIS 55 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s5c s ASP 56 N -1.28 6.04 -1.29 4.39 1.01 -1.23 -1.78 116.67 122.53 1s5c s ASP 56 Ca 0.13 0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 1s5c s ASP 56 Cb 0.15 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.49 1s5c s ASP 56 CO -0.07 -0.45 0.72 0.47 0.21 0.00 0.00 175.17 176.06 1s5c n ASP 57 N -1.79 -1.52 0.00 0.27 8.00 -1.26 -3.29 116.55 116.96 1s5c n ASP 57 Ca -0.02 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1s5c n ASP 57 Cb 0.57 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 1s5c n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5c n GLY 58 N -1.55 0.65 3.23 0.44 0.00 -0.41 -2.46 105.19 105.08 1s5c n GLY 58 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1s5c n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s5c s TYR 59 N -2.53 1.15 -0.05 1.61 1.51 -1.21 -1.63 117.35 116.20 1s5c s TYR 59 Ca 0.00 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.03 1s5c s TYR 59 Cb 0.00 -0.65 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1s5c s TYR 59 CO 0.00 -0.22 0.01 0.54 -1.11 0.00 0.00 175.55 174.77 1s5c s VAL 60 N -3.68 0.19 0.62 0.71 0.11 -0.67 -3.51 120.40 114.18 1s5c s VAL 60 Ca 0.22 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.30 1s5c s VAL 60 Cb 0.06 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1s5c s VAL 60 CO 0.03 0.19 1.06 -0.94 -3.33 0.00 0.00 175.10 172.11 1s5c s SER 61 N 1.57 5.62 0.31 3.54 1.04 -0.96 -1.14 113.70 123.68 1s5c s SER 61 Ca -0.02 1.79 0.03 0.00 0.48 0.00 0.00 55.95 58.24 1s5c s SER 61 Cb -0.13 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 1s5c s SER 61 CO -0.03 -1.28 0.35 0.35 0.98 0.00 0.00 173.24 173.61 1s5c n THR 62 N -2.31 0.00 -4.39 2.02 -2.24 -0.35 -4.84 114.28 102.17 1s5c n THR 62 Ca 0.09 -1.97 -0.20 0.00 -2.27 0.00 0.00 64.05 59.70 1s5c n THR 62 Cb 0.53 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 1s5c n THR 62 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1s5c s SER 63 N -3.08 2.64 0.17 3.42 0.01 0.52 -2.07 113.70 115.31 1s5c s SER 63 Ca 0.32 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.53 1s5c s SER 63 Cb 0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 1s5c s SER 63 CO 0.23 -0.29 1.39 0.40 0.41 0.00 0.00 173.24 175.38 1s5c h ILE 64 N 2.39 1.62 -3.20 1.44 1.08 -1.86 -2.08 117.51 116.90 1s5c h ILE 64 Ca -0.39 -2.96 -0.38 0.00 -0.39 0.00 0.00 64.86 60.73 1s5c h ILE 64 Cb 1.23 2.61 -0.15 0.00 -3.07 0.00 0.00 36.82 37.44 1s5c h ILE 64 CO 0.65 0.85 -0.73 -0.94 -0.69 0.00 0.00 178.15 177.29 1s5c s SER 65 N -6.77 2.13 0.41 1.72 1.04 -1.26 -4.69 113.70 106.28 1s5c s SER 65 Ca -0.00 -1.00 0.15 0.00 0.48 0.00 0.00 55.95 55.58 1s5c s SER 65 Cb 0.11 -0.07 0.89 0.00 0.10 0.00 0.00 66.02 67.05 1s5c s SER 65 CO 0.80 -0.25 1.90 0.25 0.98 0.00 0.00 173.24 176.93 1s5c h LEU 66 N 2.76 0.00 -0.04 2.42 5.85 -1.92 -2.66 115.31 121.71 1s5c h LEU 66 Ca -0.37 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.20 1s5c h LEU 66 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1s5c h LEU 66 CO 0.62 0.28 -0.68 -0.09 -0.34 0.00 0.00 178.44 178.23 1s5c h ARG 67 N 0.00 0.00 0.00 1.25 9.65 -1.99 -2.79 114.38 120.50 1s5c h ARG 67 Ca -0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1s5c h ARG 67 Cb 0.52 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1s5c h ARG 67 CO 0.04 0.68 -0.76 0.66 2.80 0.00 0.00 179.97 183.39 1s5c h SER 68 N 0.00 0.00 0.53 -3.80 4.64 -1.93 -2.96 113.55 110.03 1s5c h SER 68 Ca -0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 1s5c h SER 68 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1s5c h SER 68 CO 0.09 0.37 -1.38 0.00 -0.87 0.00 0.00 176.83 175.04 1s5c h ALA 69 N 1.63 0.15 -0.54 5.18 0.00 -1.56 -2.87 119.26 121.25 1s5c h ALA 69 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 1s5c h ALA 69 Cb 1.33 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1s5c h ALA 69 CO 0.04 1.02 0.32 1.25 0.00 0.00 0.00 179.25 181.88 1s5c h HIS 70 N 0.08 0.73 -0.61 0.00 2.76 -1.57 -2.09 115.15 114.44 1s5c h HIS 70 Ca -0.19 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.93 1s5c h HIS 70 Cb 2.01 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.70 1s5c h HIS 70 CO 0.07 0.51 0.19 1.25 -1.30 0.00 0.00 177.93 178.65 1s5c h LEU 71 N 0.73 0.85 -0.69 0.26 6.46 -1.61 -1.63 115.31 119.68 1s5c h LEU 71 Ca 0.19 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1s5c h LEU 71 Cb 0.01 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 1s5c h LEU 71 CO -0.03 0.80 0.42 0.58 -0.62 0.00 0.00 178.44 179.58 1s5c h VAL 72 N 0.89 1.20 -0.22 1.05 2.07 -1.22 -2.42 116.25 117.59 1s5c h VAL 72 Ca 0.20 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1s5c h VAL 72 Cb 0.26 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1s5c h VAL 72 CO -0.01 0.20 -0.39 1.23 0.02 0.00 0.00 177.57 178.63 1s5c h GLY 73 N 0.94 0.55 0.92 2.17 0.00 -1.18 -2.30 103.07 104.17 1s5c h GLY 73 Ca 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1s5c h GLY 73 CO -0.05 0.49 0.00 -1.06 0.00 0.00 0.00 176.54 175.92 1s5c n GLN 74 N -4.04 0.83 -0.05 4.80 6.02 -0.63 -0.30 117.38 124.02 1s5c n GLN 74 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 1s5c n GLN 74 Cb 0.50 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 1s5c n GLN 74 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1s5c n THR 75 N -0.96 1.30 0.25 5.09 -2.24 -1.06 -4.49 114.28 112.16 1s5c n THR 75 Ca 0.18 0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.96 1s5c n THR 75 Cb 0.08 -1.99 -0.08 0.00 -2.10 0.00 0.00 70.33 66.25 1s5c n THR 75 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1s5c h ILE 76 N -0.62 0.39 -0.34 2.28 5.03 -1.41 -2.93 117.51 119.91 1s5c h ILE 76 Ca -0.09 -0.43 -0.18 0.00 -0.12 0.00 0.00 64.86 64.03 1s5c h ILE 76 Cb 0.78 0.55 -0.10 0.00 -3.03 0.00 0.00 36.82 35.01 1s5c h ILE 76 CO -0.06 0.06 0.23 0.18 -0.68 0.00 0.00 178.15 177.88 1s5c n LEU 77 N -5.26 4.46 -4.77 1.44 4.77 0.59 -4.10 117.00 114.14 1s5c n LEU 77 Ca -0.11 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.17 1s5c n LEU 77 Cb 0.31 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1s5c n LEU 77 CO 0.30 0.74 1.01 -0.44 -1.33 0.00 0.00 177.39 177.66 1s5c s SER 78 N 0.27 6.67 0.00 -1.43 0.01 -1.09 -2.95 113.70 115.18 1s5c s SER 78 Ca 0.20 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.22 1s5c s SER 78 Cb 0.16 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1s5c s SER 78 CO 0.03 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1s5c n GLY 79 N 0.72 0.72 3.48 3.44 0.00 -1.26 -5.02 105.19 107.27 1s5c n GLY 79 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1s5c n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s5c s HIS 80 N -2.43 3.06 0.06 1.61 4.02 -1.15 -5.02 115.29 115.43 1s5c s HIS 80 Ca 0.00 -0.36 -0.29 0.00 1.02 0.00 0.00 55.06 55.44 1s5c s HIS 80 Cb 0.00 -2.05 -0.17 0.00 -1.02 0.00 0.00 32.58 29.34 1s5c s HIS 80 CO 0.00 -0.14 1.56 0.77 1.02 0.00 0.00 174.74 177.95 1s5c h SER 81 N 7.20 -0.49 -3.26 1.40 0.02 -1.93 -3.44 113.55 113.06 1s5c h SER 81 Ca -0.35 -0.03 -0.64 0.00 -0.84 0.00 0.00 61.79 59.94 1s5c h SER 81 Cb 1.18 0.13 -0.34 0.00 0.14 0.00 0.00 62.40 63.51 1s5c h SER 81 CO 0.62 -0.29 -0.86 -0.89 -1.14 0.00 0.00 176.83 174.28 1s5c s THR 82 N -5.76 1.84 0.27 -2.27 2.01 -1.26 -2.37 115.64 108.10 1s5c s THR 82 Ca -0.16 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1s5c s THR 82 Cb 0.04 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1s5c s THR 82 CO 0.61 0.51 0.15 0.00 -0.69 0.00 0.00 174.62 175.20 1s5c n TYR 83 N 4.00 -0.20 -4.19 4.92 0.18 -1.10 -4.90 117.16 115.87 1s5c n TYR 83 Ca -0.20 -1.95 -0.17 0.00 1.88 0.00 0.00 57.90 57.47 1s5c n TYR 83 Cb 0.52 0.09 -0.13 0.00 -0.38 0.00 0.00 39.34 39.44 1s5c n TYR 83 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1s5c s TYR 84 N -2.80 0.93 -0.49 -3.48 1.51 -0.59 -1.71 117.35 110.72 1s5c s TYR 84 Ca 0.21 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1s5c s TYR 84 Cb 0.01 -0.55 0.13 0.00 -0.11 0.00 0.00 41.96 41.44 1s5c s TYR 84 CO 0.15 -0.01 0.35 0.42 -1.11 0.00 0.00 175.55 175.35 1s5c s ILE 85 N -1.01 4.09 -0.01 2.71 1.01 -0.84 -0.65 121.20 126.51 1s5c s ILE 85 Ca -0.03 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.37 1s5c s ILE 85 Cb -0.08 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1s5c s ILE 85 CO 0.01 -0.78 1.33 -0.31 0.00 0.00 0.00 174.94 175.19 1s5c s TYR 86 N 1.16 2.99 -0.24 3.97 1.51 -0.25 -1.74 117.35 124.74 1s5c s TYR 86 Ca 0.08 0.96 -0.23 0.00 -1.01 0.00 0.00 57.07 56.87 1s5c s TYR 86 Cb -0.25 -3.58 -0.01 0.00 -0.11 0.00 0.00 41.96 38.01 1s5c s TYR 86 CO -0.02 -2.07 0.74 0.08 -1.11 0.00 0.00 175.55 173.17 1s5c s VAL 87 N 2.25 4.90 -0.07 0.71 1.01 0.18 -1.63 120.40 127.75 1s5c s VAL 87 Ca 0.61 1.38 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1s5c s VAL 87 Cb -0.29 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1s5c s VAL 87 CO 0.25 -0.02 -0.17 -0.63 0.00 0.00 0.00 175.10 174.53 1s5c s ILE 88 N 2.65 2.75 0.49 2.22 1.09 -0.64 -1.31 121.20 128.45 1s5c s ILE 88 Ca 0.31 -0.81 -0.20 0.00 -1.10 0.00 0.00 60.65 58.85 1s5c s ILE 88 Cb -0.15 -2.08 -0.08 0.00 -1.06 0.00 0.00 42.46 39.08 1s5c s ILE 88 CO 0.08 0.57 1.04 0.00 -0.10 0.00 0.00 174.94 176.53 1s5c s ALA 89 N -0.27 2.87 0.10 9.38 0.00 -0.74 -0.71 121.76 132.39 1s5c s ALA 89 Ca 0.01 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 1s5c s ALA 89 Cb -0.13 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1s5c s ALA 89 CO 0.03 -0.32 0.86 0.95 0.00 0.00 0.00 175.76 177.28 1s5c s THR 90 N -1.97 4.56 0.11 0.00 -4.23 -1.21 -4.82 115.64 108.08 1s5c s THR 90 Ca 0.67 1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 62.97 1s5c s THR 90 Cb -0.17 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.44 1s5c s THR 90 CO 0.20 0.36 0.18 0.00 -0.54 0.00 0.00 174.62 174.82 1s5c s ALA 91 N -0.19 0.08 -1.38 3.99 0.00 -1.24 -3.99 121.76 119.04 1s5c s ALA 91 Ca 0.42 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1s5c s ALA 91 Cb -0.22 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1s5c s ALA 91 CO 0.27 -0.53 0.43 -0.35 0.00 0.00 0.00 175.76 175.58 1s5c n PRO 92 N -0.09 0.63 0.04 0.00 -0.05 -0.10 -1.56 135.00 133.87 1s5c n PRO 92 Ca -0.11 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.46 1s5c n PRO 92 Cb 0.63 -1.20 0.14 0.00 -0.05 0.00 0.00 33.50 33.02 1s5c n PRO 92 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1s5c n ASN 93 N -0.07 0.64 -4.77 3.54 6.94 -1.26 -4.30 115.26 115.98 1s5c n ASN 93 Ca 0.00 -0.03 -0.38 0.00 -0.02 0.00 0.00 54.58 54.15 1s5c n ASN 93 Cb 0.10 0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.82 1s5c n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1s5c s MET 94 N -3.15 4.66 -0.07 -3.83 -1.94 -0.60 -1.78 119.30 112.60 1s5c s MET 94 Ca 0.06 1.35 0.01 0.00 -1.71 0.00 0.00 55.69 55.40 1s5c s MET 94 Cb 0.14 -3.00 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1s5c s MET 94 CO 0.74 0.39 -0.08 -0.06 -0.01 0.00 0.00 175.02 176.00 1s5c s PHE 95 N -1.43 1.20 -0.37 -0.03 0.08 -0.40 -1.78 117.98 115.25 1s5c s PHE 95 Ca 0.46 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.77 1s5c s PHE 95 Cb -0.21 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1s5c s PHE 95 CO 0.27 -0.30 1.71 1.21 -0.10 0.00 0.00 175.22 178.00 1s5c s ASN 96 N 1.02 5.97 0.14 1.36 3.84 -1.26 -1.16 114.94 124.85 1s5c s ASN 96 Ca -0.09 1.12 -0.13 0.00 0.21 0.00 0.00 52.86 53.97 1s5c s ASN 96 Cb -0.14 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.04 1s5c s ASN 96 CO -0.00 -1.68 1.64 0.58 -2.79 0.00 0.00 177.10 174.84 1s5c h VAL 97 N 6.72 1.24 -0.34 -5.21 2.07 -1.85 -1.36 116.25 117.53 1s5c h VAL 97 Ca -0.32 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1s5c h VAL 97 Cb 1.15 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1s5c h VAL 97 CO 1.06 0.32 0.02 0.78 0.02 0.00 0.00 177.57 179.76 1s5c h ASN 98 N 0.66 0.48 -0.17 0.57 -0.26 -1.91 -0.23 115.58 114.71 1s5c h ASN 98 Ca 0.15 -0.08 -0.14 0.00 -0.56 0.00 0.00 56.30 55.66 1s5c h ASN 98 Cb 0.37 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1s5c h ASN 98 CO 0.01 0.53 -0.40 0.44 -1.06 0.00 0.00 177.43 176.95 1s5c h ASP 99 N 0.50 0.76 0.81 5.81 3.32 -1.72 -1.92 116.42 123.97 1s5c h ASP 99 Ca 0.11 -0.34 -0.21 0.00 0.02 0.00 0.00 57.03 56.61 1s5c h ASP 99 Cb 0.29 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1s5c h ASP 99 CO 0.01 1.06 -1.29 0.58 -1.72 0.00 0.00 179.24 177.88 1s5c h VAL 100 N 0.58 0.90 -0.00 -1.35 2.07 -1.04 -3.36 116.25 114.06 1s5c h VAL 100 Ca 0.05 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1s5c h VAL 100 Cb 0.94 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1s5c h VAL 100 CO 0.09 0.51 -0.70 0.18 0.02 0.00 0.00 177.57 177.67 1s5c n LEU 101 N -3.08 1.15 0.00 2.57 4.77 -0.12 -4.77 117.00 117.52 1s5c n LEU 101 Ca -0.08 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1s5c n LEU 101 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1s5c n LEU 101 CO 0.44 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1s5c n GLY 102 N 1.37 2.79 0.28 -0.72 0.00 -0.72 -1.83 105.19 106.36 1s5c n GLY 102 Ca 0.05 -0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1s5c n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5c h ALA 103 N -0.67 1.00 -0.03 4.61 0.00 -1.97 -2.55 119.26 119.64 1s5c h ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5c h ALA 103 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s5c h ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1s5c n TYR 104 N -3.00 0.04 -1.65 0.00 4.01 -0.76 -4.84 117.16 110.95 1s5c n TYR 104 Ca -0.00 -0.02 -0.44 0.00 -0.16 0.00 0.00 57.90 57.28 1s5c n TYR 104 Cb 0.24 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1s5c n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1s5c n SER 105 N -0.44 3.85 -0.02 7.72 2.88 -0.96 -4.89 113.62 121.75 1s5c n SER 105 Ca 0.19 0.82 -0.10 0.00 -1.33 0.00 0.00 58.87 58.46 1s5c n SER 105 Cb 0.20 -1.49 0.05 0.00 -0.75 0.00 0.00 64.21 62.22 1s5c n SER 105 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1s5c h PRO 106 N 10.86 0.64 -2.34 -1.46 0.13 -1.88 -3.34 132.00 134.62 1s5c h PRO 106 Ca -0.48 -0.37 -0.59 0.00 -0.87 0.00 0.00 66.00 63.68 1s5c h PRO 106 Cb 1.25 0.03 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 1s5c h PRO 106 CO 0.95 0.98 -0.74 0.72 -0.23 0.00 0.00 178.00 179.68 1s5c n HIS 107 N -4.00 2.27 0.19 1.56 8.25 -1.26 -4.96 115.22 117.27 1s5c n HIS 107 Ca -0.03 -3.98 0.05 0.00 -0.26 0.00 0.00 57.72 53.51 1s5c n HIS 107 Cb 0.57 -0.45 0.37 0.00 1.12 0.00 0.00 29.99 31.60 1s5c n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1s5c h PRO 108 N 4.50 0.00 0.00 -0.41 0.13 -1.98 -2.85 132.00 131.38 1s5c h PRO 108 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1s5c h PRO 108 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1s5c h PRO 108 CO 0.69 0.37 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.37 1s5c h ASP 109 N 0.00 0.00 1.44 1.44 3.32 -1.94 -2.79 116.42 117.88 1s5c h ASP 109 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s5c h ASP 109 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1s5c h ASP 109 CO 0.05 0.02 0.00 -0.33 -1.72 0.00 0.00 179.24 177.26 1s5c h GLU 110 N 0.00 0.00 -5.99 3.56 5.08 -1.94 -3.48 114.58 111.81 1s5c h GLU 110 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1s5c h GLU 110 Cb 0.15 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.47 1s5c h GLU 110 CO 0.00 0.00 -0.72 1.04 -1.00 0.00 0.00 179.01 178.33 1s5c n GLN 111 N -2.46 -1.43 -2.99 2.33 6.02 -1.06 -4.76 117.38 113.03 1s5c n GLN 111 Ca 0.04 0.83 -0.33 0.00 -0.01 0.00 0.00 57.00 57.54 1s5c n GLN 111 Cb 0.41 -4.47 -0.06 0.00 1.02 0.00 0.00 30.24 27.14 1s5c n GLN 111 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s5c s GLU 112 N -4.84 4.08 -0.19 -1.09 2.56 -1.26 -3.76 118.70 114.20 1s5c s GLU 112 Ca 0.28 0.84 -0.05 0.00 0.00 0.00 0.00 54.97 56.04 1s5c s GLU 112 Cb -0.08 -2.33 0.07 0.00 2.00 0.00 0.00 34.13 33.79 1s5c s GLU 112 CO 0.82 0.07 0.10 0.08 -0.56 0.00 0.00 175.26 175.77 1s5c s VAL 113 N -2.08 -0.07 -0.19 3.70 1.01 -0.88 -2.31 120.40 119.57 1s5c s VAL 113 Ca 0.57 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1s5c s VAL 113 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1s5c s VAL 113 CO 0.16 -0.36 0.07 -0.44 0.00 0.00 0.00 175.10 174.54 1s5c s SER 114 N 2.13 5.70 -0.48 3.32 0.01 -0.31 -1.22 113.70 122.84 1s5c s SER 114 Ca 0.03 0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.14 1s5c s SER 114 Cb -0.16 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1s5c s SER 114 CO -0.14 0.16 0.88 0.00 0.41 0.00 0.00 173.24 174.55 1s5c s ALA 115 N 0.43 3.23 -0.26 1.44 0.00 -0.30 -1.28 121.76 125.03 1s5c s ALA 115 Ca 0.04 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 1s5c s ALA 115 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1s5c s ALA 115 CO 0.00 -2.11 2.14 -1.17 0.00 0.00 0.00 175.76 174.62 1s5c s LEU 116 N 3.64 3.45 0.00 0.00 2.96 -0.73 -1.66 118.68 126.33 1s5c s LEU 116 Ca 0.32 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 1s5c s LEU 116 Cb -0.12 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1s5c s LEU 116 CO 0.23 -1.97 0.00 0.61 -1.32 0.00 0.00 176.35 173.90 1s5c n GLY 117 N 5.71 1.93 0.00 7.98 0.00 -0.65 -4.90 105.19 115.26 1s5c n GLY 117 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1s5c n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5c n GLY 118 N -0.26 0.89 3.13 -0.02 0.00 -1.11 -4.48 105.19 103.33 1s5c n GLY 118 Ca 0.00 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 1s5c n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s5c s ILE 119 N -0.99 3.26 0.83 -0.61 1.01 -0.80 -4.81 121.20 119.09 1s5c s ILE 119 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 60.65 58.53 1s5c s ILE 119 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1s5c s ILE 119 CO 0.00 -0.62 0.24 -2.65 0.00 0.00 0.00 174.94 171.91 1s5c n PRO 120 N 4.60 0.04 0.20 2.79 -0.02 -1.26 -1.52 135.00 139.83 1s5c n PRO 120 Ca -0.03 0.05 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1s5c n PRO 120 Cb 0.42 -1.66 0.43 0.00 -0.02 0.00 0.00 33.50 32.67 1s5c n PRO 120 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1s5c h TYR 121 N -0.84 0.00 -0.24 6.00 3.20 -1.61 -1.81 116.97 121.67 1s5c h TYR 121 Ca -0.44 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 1s5c h TYR 121 Cb 1.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1s5c h TYR 121 CO 0.33 0.31 -0.22 0.66 -1.64 0.00 0.00 178.16 177.61 1s5c h SER 122 N 0.00 0.43 0.79 -2.11 4.64 -1.86 -2.86 113.55 112.57 1s5c h SER 122 Ca -0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1s5c h SER 122 Cb 0.59 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1s5c h SER 122 CO 0.04 0.66 0.00 1.67 -0.87 0.00 0.00 176.83 178.33 1s5c n GLN 123 N -4.15 0.06 -3.03 4.77 7.27 -0.68 -2.56 117.38 119.06 1s5c n GLN 123 Ca -0.00 0.20 -0.43 0.00 0.07 0.00 0.00 57.00 56.84 1s5c n GLN 123 Cb 0.37 -1.59 -0.06 0.00 2.41 0.00 0.00 30.24 31.37 1s5c n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1s5c s ILE 124 N -3.06 4.76 0.24 1.69 1.01 -1.08 -1.80 121.20 122.96 1s5c s ILE 124 Ca 0.09 0.47 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 1s5c s ILE 124 Cb 0.13 -4.22 0.10 0.00 0.01 0.00 0.00 42.46 38.47 1s5c s ILE 124 CO 0.40 -0.55 1.72 0.22 0.00 0.00 0.00 174.94 176.73 1s5c h TYR 125 N 8.75 0.91 0.00 3.97 3.20 -1.49 -3.38 116.97 128.94 1s5c h TYR 125 Ca -0.25 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1s5c h TYR 125 Cb 1.09 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1s5c h TYR 125 CO 0.77 0.85 0.00 0.41 -1.64 0.00 0.00 178.16 178.55 1s5c n GLY 126 N -0.56 -0.76 3.60 1.82 0.00 -1.08 -2.12 105.19 106.10 1s5c n GLY 126 Ca 0.02 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1s5c n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1s5c s TRP 127 N -3.00 -0.82 0.34 1.61 -2.14 -1.03 -0.65 118.94 113.25 1s5c s TRP 127 Ca 0.00 1.90 -0.12 0.00 2.66 0.00 0.00 56.10 60.54 1s5c s TRP 127 Cb 0.00 0.34 -0.08 0.00 -3.10 0.00 0.00 33.47 30.63 1s5c s TRP 127 CO 0.00 -0.40 0.72 0.71 -2.66 0.00 0.00 176.95 175.32 1s5c s TYR 128 N 0.66 3.42 0.25 1.66 2.02 -0.71 -2.06 117.35 122.60 1s5c s TYR 128 Ca -0.02 1.10 -0.01 0.00 -0.37 0.00 0.00 57.07 57.76 1s5c s TYR 128 Cb -0.05 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1s5c s TYR 128 CO -0.04 0.04 0.46 -0.98 -1.57 0.00 0.00 175.55 173.46 1s5c s ARG 129 N -3.31 3.54 -0.15 -0.62 1.70 -1.26 -1.98 118.95 116.87 1s5c s ARG 129 Ca 0.52 -0.26 -0.03 0.00 -0.47 0.00 0.00 55.73 55.50 1s5c s ARG 129 Cb -0.10 -2.75 0.05 0.00 -0.57 0.00 0.00 34.95 31.57 1s5c s ARG 129 CO 0.23 0.30 0.04 0.08 -1.08 0.00 0.00 175.30 174.88 1s5c s VAL 130 N -2.01 0.29 -0.14 4.99 1.01 -0.70 -2.10 120.40 121.75 1s5c s VAL 130 Ca 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1s5c s VAL 130 Cb -0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1s5c s VAL 130 CO 0.30 -0.08 -0.12 -2.28 0.00 0.00 0.00 175.10 172.92 1s5c s HIS 131 N 1.98 2.84 -1.72 5.22 5.04 -1.12 -2.69 115.29 124.84 1s5c s HIS 131 Ca 0.02 -0.66 -0.14 0.00 -1.54 0.00 0.00 55.06 52.74 1s5c s HIS 131 Cb -0.15 -1.87 0.13 0.00 0.04 0.00 0.00 32.58 30.73 1s5c s HIS 131 CO -0.07 -0.23 0.41 1.19 -2.34 0.00 0.00 174.74 173.70 1s5c n PHE 132 N 3.64 -1.31 -2.39 3.88 3.72 -1.00 -1.96 117.46 122.04 1s5c n PHE 132 Ca -0.18 0.68 -0.16 0.00 -0.05 0.00 0.00 57.45 57.74 1s5c n PHE 132 Cb 0.52 -2.45 -0.00 0.00 -0.94 0.00 0.00 39.48 36.61 1s5c n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s5c n GLY 133 N -1.68 -0.26 3.33 1.37 0.00 -1.26 -5.02 105.19 101.66 1s5c n GLY 133 Ca -0.07 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1s5c n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5c s VAL 134 N -2.82 2.47 0.37 1.61 0.11 -0.83 -5.07 120.40 116.25 1s5c s VAL 134 Ca 0.04 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 57.95 1s5c s VAL 134 Cb -0.02 -1.95 -0.10 0.00 -1.53 0.00 0.00 36.38 32.78 1s5c s VAL 134 CO 0.05 0.56 0.93 -0.76 -3.33 0.00 0.00 175.10 172.56 1s5c s LEU 135 N -0.14 4.13 0.27 2.54 1.43 -1.26 -2.78 118.68 122.87 1s5c s LEU 135 Ca -0.03 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 1s5c s LEU 135 Cb -0.14 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.72 1s5c s LEU 135 CO 0.04 -0.22 1.14 -1.81 0.23 0.00 0.00 176.35 175.73 1s5c s ASP 136 N -1.92 7.18 0.40 2.29 1.01 -0.89 -4.94 116.67 119.80 1s5c s ASP 136 Ca 0.56 2.31 0.06 0.00 0.71 0.00 0.00 52.55 56.20 1s5c s ASP 136 Cb -0.13 -2.63 0.82 0.00 1.01 0.00 0.00 42.92 41.99 1s5c s ASP 136 CO 0.18 -0.23 2.04 -0.33 0.21 0.00 0.00 175.17 177.05 1s5c h GLU 137 N 4.00 0.60 -5.78 8.23 4.39 -1.96 -3.46 114.58 120.61 1s5c h GLU 137 Ca -0.47 -0.04 -0.56 0.00 0.34 0.00 0.00 59.36 58.64 1s5c h GLU 137 Cb 1.21 -0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.59 1s5c h GLU 137 CO 0.68 0.40 -0.69 -0.65 -1.16 0.00 0.00 179.01 177.59 1s5c s GLN 138 N -5.54 1.68 -0.05 2.33 -1.52 -1.26 -5.14 119.66 110.15 1s5c s GLN 138 Ca -0.09 -1.85 -0.02 0.00 -1.95 0.00 0.00 55.36 51.45 1s5c s GLN 138 Cb 0.18 -1.47 -0.04 0.00 -0.22 0.00 0.00 33.01 31.46 1s5c s GLN 138 CO 0.74 0.12 0.08 -0.51 -0.25 0.00 0.00 175.29 175.47 1s5c s LEU 139 N -3.52 3.97 -0.52 2.90 1.43 -1.26 -4.69 118.68 116.99 1s5c s LEU 139 Ca 0.31 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 1s5c s LEU 139 Cb 0.02 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1s5c s LEU 139 CO 0.14 0.33 0.63 -2.28 0.23 0.00 0.00 176.35 175.41 1s5c s HIS 140 N -1.09 3.04 0.31 0.29 5.65 -0.87 -4.98 115.29 117.63 1s5c s HIS 140 Ca 0.19 -0.58 -0.29 0.00 0.25 0.00 0.00 55.06 54.63 1s5c s HIS 140 Cb -0.12 -3.59 -0.10 0.00 -1.18 0.00 0.00 32.58 27.59 1s5c s HIS 140 CO 0.09 -1.06 1.27 1.03 -0.65 0.00 0.00 174.74 175.42 1s5c s ARG 141 N 2.64 4.41 -0.15 2.88 3.00 -1.26 -2.48 118.95 128.00 1s5c s ARG 141 Ca 0.15 2.12 -0.20 0.00 0.00 0.00 0.00 55.73 57.80 1s5c s ARG 141 Cb -0.20 -3.11 -0.03 0.00 0.00 0.00 0.00 34.95 31.61 1s5c s ARG 141 CO 0.11 -0.13 0.59 1.21 0.00 0.00 0.00 175.30 177.09 1s5c s ASN 142 N -0.45 6.74 0.51 0.23 2.47 -0.90 -4.96 114.94 118.59 1s5c s ASN 142 Ca 0.49 0.90 0.28 0.00 0.42 0.00 0.00 52.86 54.94 1s5c s ASN 142 Cb -0.38 -2.34 1.35 0.00 -1.45 0.00 0.00 41.25 38.43 1s5c s ASN 142 CO 0.49 -0.15 2.01 0.08 -3.72 0.00 0.00 177.10 175.81 1s5c h ARG 143 N 7.11 0.00 -0.28 0.43 0.11 -1.92 -2.55 114.38 117.27 1s5c h ARG 143 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1s5c h ARG 143 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1s5c h ARG 143 CO 0.76 0.14 0.00 0.41 0.10 0.00 0.00 179.97 181.38 1s5c n GLY 144 N -0.42 0.98 3.77 0.08 0.00 -1.26 -4.98 105.19 103.35 1s5c n GLY 144 Ca -0.01 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1s5c n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s5c s TYR 145 N -1.64 2.91 -0.50 1.61 5.04 -0.96 -4.21 117.35 119.60 1s5c s TYR 145 Ca 0.35 1.50 0.04 0.00 -2.44 0.00 0.00 57.07 56.52 1s5c s TYR 145 Cb 0.20 -3.49 0.13 0.00 0.35 0.00 0.00 41.96 39.15 1s5c s TYR 145 CO 0.28 -1.66 0.24 1.03 -1.34 0.00 0.00 175.55 174.11 1s5c s ARG 146 N -2.40 1.94 0.03 4.97 3.00 -1.06 -5.00 118.95 120.42 1s5c s ARG 146 Ca 0.59 -2.55 -0.25 0.00 0.00 0.00 0.00 55.73 53.53 1s5c s ARG 146 Cb -0.33 -3.32 -0.18 0.00 0.00 0.00 0.00 34.95 31.13 1s5c s ARG 146 CO 0.41 -1.09 1.46 0.22 0.00 0.00 0.00 175.30 176.30 1s5c h ASP 147 N 6.62 -0.03 0.18 0.23 3.58 -1.95 -2.90 116.42 122.15 1s5c h ASP 147 Ca -0.07 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 1s5c h ASP 147 Cb 0.91 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1s5c h ASP 147 CO 0.67 0.25 -0.09 -0.09 -2.88 0.00 0.00 179.24 177.11 1s5c h ARG 148 N -0.31 -0.23 -0.13 0.28 2.43 -1.98 -1.93 114.38 112.50 1s5c h ARG 148 Ca -0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1s5c h ARG 148 Cb 0.29 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1s5c h ARG 148 CO 0.01 -0.01 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.41 1s5c h TYR 149 N -0.42 -0.30 0.00 2.20 3.20 -2.00 -2.87 116.97 116.77 1s5c h TYR 149 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1s5c h TYR 149 Cb 0.32 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1s5c h TYR 149 CO -0.01 -0.18 -0.02 0.66 -1.64 0.00 0.00 178.16 176.96 1s5c n TYR 150 N -5.27 0.91 0.32 -3.82 4.01 -1.10 -2.84 117.16 109.38 1s5c n TYR 150 Ca -0.03 0.26 0.12 0.00 -0.16 0.00 0.00 57.90 58.10 1s5c n TYR 150 Cb 0.19 -0.93 0.18 0.00 -0.31 0.00 0.00 39.34 38.47 1s5c n TYR 150 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1s5c h SER 151 N 0.00 0.00 -0.21 7.72 0.02 -1.18 -2.99 113.55 116.91 1s5c h SER 151 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1s5c h SER 151 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1s5c h SER 151 CO 0.00 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.30 1s5c n ASN 152 N -2.70 1.38 -4.45 3.07 3.02 -1.10 -2.05 115.26 112.43 1s5c n ASN 152 Ca 0.03 -1.83 -0.23 0.00 -0.03 0.00 0.00 54.58 52.52 1s5c n ASN 152 Cb 0.50 -0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 1s5c n ASN 152 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s5c s LEU 153 N -1.27 2.60 0.23 3.41 1.43 -1.13 -4.63 118.68 119.32 1s5c s LEU 153 Ca 0.24 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1s5c s LEU 153 Cb 0.13 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1s5c s LEU 153 CO 0.18 -0.08 0.13 -1.81 0.23 0.00 0.00 176.35 175.00 1s5c s ASP 154 N -3.48 0.61 0.72 2.29 1.01 -1.26 -0.13 116.67 116.44 1s5c s ASP 154 Ca 0.29 -1.41 -0.16 0.00 0.71 0.00 0.00 52.55 51.98 1s5c s ASP 154 Cb -0.02 0.32 0.01 0.00 1.01 0.00 0.00 42.92 44.24 1s5c s ASP 154 CO 0.13 -0.82 1.08 -0.38 0.21 0.00 0.00 175.17 175.40 1s5c n ILE 155 N -0.36 3.18 -2.19 0.77 5.41 -1.26 -0.92 119.36 124.00 1s5c n ILE 155 Ca 0.02 -0.38 -0.41 0.00 1.00 0.00 0.00 62.75 62.98 1s5c n ILE 155 Cb 0.66 -1.20 -0.03 0.00 -0.71 0.00 0.00 39.64 38.36 1s5c n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s5c s ALA 156 N -1.77 3.48 0.64 -1.39 0.00 -0.73 -4.68 121.76 117.32 1s5c s ALA 156 Ca 0.75 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.74 1s5c s ALA 156 Cb -0.35 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1s5c s ALA 156 CO 0.48 -0.54 1.10 -1.25 0.00 0.00 0.00 175.76 175.55 1s5c s PRO 157 N -1.57 2.93 0.48 0.00 0.04 -1.26 -4.58 135.00 131.03 1s5c s PRO 157 Ca 0.49 1.37 0.24 0.00 0.04 0.00 0.00 61.00 63.14 1s5c s PRO 157 Cb -0.38 -1.97 1.27 0.00 0.04 0.00 0.00 34.50 33.46 1s5c s PRO 157 CO 0.49 -1.14 1.88 0.00 0.04 0.00 0.00 177.00 178.27 1s5c h ALA 158 N 0.19 2.48 -0.30 8.56 0.00 -1.93 -1.58 119.26 126.67 1s5c h ALA 158 Ca -0.47 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1s5c h ALA 158 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1s5c h ALA 158 CO 0.55 -0.73 0.20 0.00 0.00 0.00 0.00 179.25 179.27 1s5c h ALA 159 N 1.61 1.94 0.00 0.00 0.00 -1.95 -1.21 119.26 119.65 1s5c h ALA 159 Ca 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1s5c h ALA 159 Cb 1.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1s5c h ALA 159 CO -0.09 0.01 -0.20 -0.44 0.00 0.00 0.00 179.25 178.53 1s5c h ASP 160 N 0.27 0.00 0.36 0.00 3.32 -1.65 -3.30 116.42 115.42 1s5c h ASP 160 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1s5c h ASP 160 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1s5c h ASP 160 CO -0.03 0.20 -1.35 0.61 -1.72 0.00 0.00 179.24 176.95 1s5c n GLY 161 N 0.25 -1.17 0.27 2.75 0.00 -0.52 -4.49 105.19 102.27 1s5c n GLY 161 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 1s5c n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s5c h TYR 162 N 0.00 0.89 0.00 1.61 0.05 -1.46 0.14 116.97 118.20 1s5c h TYR 162 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1s5c h TYR 162 Cb 0.86 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1s5c h TYR 162 CO 0.00 0.63 0.00 0.78 -1.05 0.00 0.00 178.16 178.52 1s5c h GLY 163 N 0.89 0.00 -3.21 3.88 0.00 -1.79 -2.72 103.07 100.12 1s5c h GLY 163 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1s5c h GLY 163 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.54 1s5c n LEU 164 N -2.83 5.03 -0.27 3.11 4.77 -0.05 -4.58 117.00 122.18 1s5c n LEU 164 Ca 0.00 -2.54 0.01 0.00 -0.03 0.00 0.00 56.01 53.45 1s5c n LEU 164 Cb 0.24 -0.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1s5c n LEU 164 CO 0.24 0.74 1.12 0.00 -1.33 0.00 0.00 177.39 178.16 1s5c h ALA 165 N 4.09 1.06 0.00 -1.18 0.00 -0.98 -3.31 119.26 118.94 1s5c h ALA 165 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s5c h ALA 165 Cb 1.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1s5c h ALA 165 CO 0.32 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1s5c n GLY 166 N -1.31 0.51 3.75 0.00 0.00 -1.26 -1.29 105.19 105.59 1s5c n GLY 166 Ca 0.11 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1s5c n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5c s PHE 167 N -2.00 2.37 0.54 1.61 0.08 -1.26 -4.50 117.98 114.81 1s5c s PHE 167 Ca 0.00 1.45 -0.20 0.00 0.12 0.00 0.00 56.93 58.30 1s5c s PHE 167 Cb 0.00 -3.64 -0.08 0.00 -0.57 0.00 0.00 43.02 38.72 1s5c s PHE 167 CO 0.00 -2.53 0.73 -2.30 -0.10 0.00 0.00 175.22 171.02 1s5c n PRO 168 N -1.22 0.76 -0.35 0.24 -0.02 -1.26 -4.86 135.00 128.29 1s5c n PRO 168 Ca 0.12 0.29 0.30 0.00 -2.02 0.00 0.00 63.50 62.19 1s5c n PRO 168 Cb 0.47 -1.87 0.63 0.00 -0.02 0.00 0.00 33.50 32.71 1s5c n PRO 168 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1s5c h PRO 169 N 0.57 0.19 -0.24 0.52 0.11 -1.93 -1.14 132.00 130.08 1s5c h PRO 169 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s5c h PRO 169 Cb 1.38 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1s5c h PRO 169 CO 0.50 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 1s5c n GLU 170 N -4.46 2.73 -1.73 1.05 0.00 -1.26 -2.35 120.64 114.62 1s5c n GLU 170 Ca 0.28 -2.43 -0.38 0.00 0.00 0.00 0.00 57.16 54.63 1s5c n GLU 170 Cb 1.13 -1.54 0.05 0.00 0.00 0.00 0.00 31.44 31.09 1s5c n GLU 170 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1s5c n HIS 171 N -0.27 2.09 0.33 -1.84 -0.00 -0.43 -4.92 115.22 110.18 1s5c n HIS 171 Ca 0.16 0.43 0.14 0.00 0.46 0.00 0.00 57.72 58.90 1s5c n HIS 171 Cb 0.65 -2.32 0.38 0.00 -0.12 0.00 0.00 29.99 28.59 1s5c n HIS 171 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1s5c h ARG 172 N 1.04 0.00 -0.73 1.57 0.11 -1.95 -2.98 114.38 111.44 1s5c h ARG 172 Ca -0.51 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.64 1s5c h ARG 172 Cb 1.32 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.35 1s5c h ARG 172 CO 0.55 0.00 0.48 0.00 0.10 0.00 0.00 179.97 181.10 1s5c h ALA 173 N 2.12 1.72 0.00 0.08 0.00 -1.92 -2.72 119.26 118.55 1s5c h ALA 173 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s5c h ALA 173 Cb 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s5c h ALA 173 CO 0.00 0.15 0.00 -1.49 0.00 0.00 0.00 179.25 177.91 1s5c h TRP 174 N 0.74 0.00 -0.65 0.00 -0.00 -1.86 -2.61 115.95 111.56 1s5c h TRP 174 Ca 0.32 0.00 -0.36 0.00 -0.00 0.00 0.00 58.89 58.85 1s5c h TRP 174 Cb 0.30 0.00 -0.21 0.00 -0.00 0.00 0.00 29.16 29.24 1s5c h TRP 174 CO -0.00 0.00 0.22 0.54 -0.00 0.00 0.00 178.44 179.19 1s5c n ARG 175 N -2.87 2.13 -3.89 0.49 3.00 -1.03 -3.71 116.66 110.78 1s5c n ARG 175 Ca 0.00 -3.19 -0.11 0.00 -0.01 0.00 0.00 57.85 54.54 1s5c n ARG 175 Cb 0.24 -2.01 -0.11 0.00 0.00 0.00 0.00 32.46 30.58 1s5c n ARG 175 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s5c s GLU 176 N -3.34 0.35 0.27 5.56 2.02 -0.98 -4.96 118.70 117.61 1s5c s GLU 176 Ca 0.51 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.87 1s5c s GLU 176 Cb 0.44 0.14 -0.09 0.00 0.10 0.00 0.00 34.13 34.72 1s5c s GLU 176 CO 0.04 -0.07 1.03 -1.21 0.02 0.00 0.00 175.26 175.07 1s5c s GLU 177 N -1.07 4.72 0.00 1.61 2.02 -1.26 -0.97 118.70 123.76 1s5c s GLU 177 Ca -0.12 1.67 0.27 0.00 0.02 0.00 0.00 54.97 56.81 1s5c s GLU 177 Cb -0.07 -3.21 0.95 0.00 0.10 0.00 0.00 34.13 31.91 1s5c s GLU 177 CO 0.00 0.33 1.70 -0.35 0.02 0.00 0.00 175.26 176.96 1s5c n PRO 178 N 1.28 0.53 0.28 0.39 -0.04 -1.26 -4.96 135.00 131.22 1s5c n PRO 178 Ca -0.01 -0.24 0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1s5c n PRO 178 Cb 0.46 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.24 1s5c n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1s5c h TRP 179 N 0.59 0.00 -0.82 0.54 6.55 -1.26 -2.78 115.95 118.77 1s5c h TRP 179 Ca 0.00 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.81 1s5c h TRP 179 Cb 0.44 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.70 1s5c h TRP 179 CO 0.00 0.07 0.39 0.82 -1.05 0.00 0.00 178.44 178.67 1s5c h ILE 180 N 0.00 1.25 0.00 1.49 5.03 -1.52 0.24 117.51 124.01 1s5c h ILE 180 Ca -0.00 -0.72 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1s5c h ILE 180 Cb 0.29 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 1s5c h ILE 180 CO 0.01 0.31 0.00 1.41 -0.68 0.00 0.00 178.15 179.20 1s5c n HIS 181 N -4.31 0.00 -0.06 1.37 8.25 -1.05 -2.68 115.22 116.74 1s5c n HIS 181 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1s5c n HIS 181 Cb 0.14 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1s5c n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1s5c n HIS 182 N -1.39 0.00 -2.14 4.41 8.25 -0.96 -5.07 115.22 118.31 1s5c n HIS 182 Ca 0.09 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1s5c n HIS 182 Cb 0.24 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1s5c n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5c s ALA 183 N -0.24 3.61 0.49 -1.41 0.00 0.03 -3.89 121.76 120.35 1s5c s ALA 183 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1s5c s ALA 183 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1s5c s ALA 183 CO 0.00 -0.98 1.21 -2.30 0.00 0.00 0.00 175.76 173.69 1s5c n PRO 184 N 5.50 1.60 -1.57 0.00 -0.02 -1.26 -4.88 135.00 134.37 1s5c n PRO 184 Ca 0.14 0.58 -0.52 0.00 -2.02 0.00 0.00 63.50 61.68 1s5c n PRO 184 Cb 0.43 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1s5c n PRO 184 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s5c n PRO 185 N -0.45 0.96 0.00 0.52 -0.02 -1.26 -1.68 135.00 133.08 1s5c n PRO 185 Ca 0.09 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1s5c n PRO 185 Cb 0.42 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1s5c n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5c n GLY 186 N 2.25 1.19 3.39 -1.23 0.00 -1.25 -3.81 105.19 105.74 1s5c n GLY 186 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1s5c n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5c n GLY 188 N 4.36 0.73 0.00 0.00 0.00 -0.99 -4.80 105.19 104.49 1s5c n GLY 188 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1s5c n GLY 188 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s5c n ASN 189 N 0.03 0.00 0.00 1.61 5.15 -1.26 -4.88 115.26 115.91 1s5c n ASN 189 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1s5c n ASN 189 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1s5c n ASN 189 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1s5c n SER 196 N 0.00 0.00 -3.74 1.20 2.88 -1.26 -3.74 113.62 108.97 1s5c n SER 196 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1s5c n SER 196 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1s5c n SER 196 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s5c n ASN 197 N 2.28 -2.22 -0.01 -3.46 3.02 -1.26 -4.91 115.26 108.69 1s5c n ASN 197 Ca 0.00 -0.79 -0.16 0.00 -0.03 0.00 0.00 54.58 53.59 1s5c n ASN 197 Cb 0.00 -4.09 -0.12 0.00 -0.61 0.00 0.00 39.78 34.96 1s5c n ASN 197 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1s5c h THR 198 N -1.95 1.56 -0.49 3.41 2.02 -1.91 -1.91 112.91 113.63 1s5c h THR 198 Ca -0.60 -2.17 -0.03 0.00 0.77 0.00 0.00 66.41 64.38 1s5c h THR 198 Cb 1.36 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.69 1s5c h THR 198 CO 0.59 0.60 0.20 0.00 0.37 0.00 0.00 175.52 177.27 1s5c h ASP 200 N 0.66 0.74 0.46 0.00 5.19 -1.91 -1.72 116.42 119.83 1s5c h ASP 200 Ca 0.16 -0.25 -0.12 0.00 -0.62 0.00 0.00 57.03 56.21 1s5c h ASP 200 Cb 0.20 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1s5c h ASP 200 CO -0.01 0.80 -0.53 -0.33 -3.12 0.00 0.00 179.24 176.05 1s5c h GLU 201 N 0.65 0.08 0.05 3.56 3.07 -1.32 -2.51 114.58 118.17 1s5c h GLU 201 Ca 0.14 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.77 1s5c h GLU 201 Cb 0.37 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1s5c h GLU 201 CO 0.01 0.59 -0.78 -0.22 -1.40 0.00 0.00 179.01 177.20 1s5c h LYS 202 N 0.06 0.43 -0.94 2.33 3.11 -1.20 -1.49 116.57 118.88 1s5c h LYS 202 Ca -0.00 -0.54 0.06 0.00 -2.81 0.00 0.00 60.65 57.36 1s5c h LYS 202 Cb 0.95 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.29 1s5c h LYS 202 CO 0.07 1.20 0.61 1.15 -2.81 0.00 0.00 179.45 179.67 1s5c h THR 203 N -0.08 1.07 -0.12 1.00 2.02 -1.32 0.29 112.91 115.76 1s5c h THR 203 Ca -0.11 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1s5c h THR 203 Cb 1.52 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1s5c h THR 203 CO 0.15 0.20 0.01 -0.61 0.37 0.00 0.00 175.52 175.64 1s5c h GLN 204 N 1.08 0.21 -0.19 6.66 5.75 -1.42 -2.73 115.11 124.47 1s5c h GLN 204 Ca 0.40 -0.06 -0.20 0.00 -0.15 0.00 0.00 58.65 58.64 1s5c h GLN 204 Cb 0.19 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1s5c h GLN 204 CO -0.15 0.43 -0.69 0.66 -2.65 0.00 0.00 178.83 176.43 1s5c h SER 205 N -0.04 0.88 -0.14 -0.69 4.64 -0.71 0.40 113.55 117.90 1s5c h SER 205 Ca 0.04 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1s5c h SER 205 Cb 0.33 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1s5c h SER 205 CO 0.00 1.32 0.03 -0.07 -0.87 0.00 0.00 176.83 177.24 1s5c h LEU 206 N 0.54 0.28 0.01 5.97 3.38 -0.55 0.60 115.31 125.55 1s5c h LEU 206 Ca -0.03 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1s5c h LEU 206 Cb 1.30 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1s5c h LEU 206 CO 0.14 0.32 -1.05 1.23 0.09 0.00 0.00 178.44 179.17 1s5c h GLY 207 N 0.56 0.09 1.21 0.83 0.00 -1.17 -2.15 103.07 102.45 1s5c h GLY 207 Ca 0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1s5c h GLY 207 CO 0.00 0.20 -0.52 -2.08 0.00 0.00 0.00 176.54 174.14 1s5c h VAL 208 N 0.02 1.28 -0.32 4.60 2.07 -0.47 -1.48 116.25 121.95 1s5c h VAL 208 Ca -0.04 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1s5c h VAL 208 Cb 1.80 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1s5c h VAL 208 CO 0.15 0.56 0.08 0.50 0.02 0.00 0.00 177.57 178.88 1s5c h LYS 209 N 0.64 0.52 -0.45 1.57 3.64 -0.96 -0.00 116.57 121.53 1s5c h LYS 209 Ca 0.02 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1s5c h LYS 209 Cb 1.12 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1s5c h LYS 209 CO 0.11 0.58 0.02 0.35 -2.27 0.00 0.00 179.45 178.24 1s5c h PHE 210 N 0.37 0.75 -0.20 1.91 3.04 -1.30 0.23 116.94 121.74 1s5c h PHE 210 Ca 0.10 -0.09 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 1s5c h PHE 210 Cb 0.29 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1s5c h PHE 210 CO 0.01 0.70 -0.55 1.25 -2.02 0.00 0.00 178.31 177.71 1s5c h LEU 211 N 0.68 0.66 -0.50 0.59 5.85 -1.22 -2.07 115.31 119.29 1s5c h LEU 211 Ca 0.14 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.36 1s5c h LEU 211 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1s5c h LEU 211 CO 0.01 1.07 -0.37 -0.78 -0.34 0.00 0.00 178.44 178.04 1s5c h ASP 212 N 0.46 0.87 0.51 1.25 3.58 -0.19 -1.76 116.42 121.15 1s5c h ASP 212 Ca 0.01 -0.39 -0.25 0.00 0.42 0.00 0.00 57.03 56.83 1s5c h ASP 212 Cb 1.10 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1s5c h ASP 212 CO 0.11 1.14 -1.08 -0.33 -2.88 0.00 0.00 179.24 176.20 1s5c h GLU 213 N 0.68 0.32 -0.31 0.28 4.39 -0.99 -1.37 114.58 117.57 1s5c h GLU 213 Ca 0.06 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1s5c h GLU 213 Cb 0.93 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1s5c h GLU 213 CO 0.09 1.14 0.08 -0.92 -1.16 0.00 0.00 179.01 178.24 1s5c h TYR 214 N 0.14 0.52 -0.11 4.33 3.20 -1.39 -2.16 116.97 121.50 1s5c h TYR 214 Ca -0.10 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 1s5c h TYR 214 Cb 1.76 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 1s5c h TYR 214 CO 0.06 0.55 -0.19 1.96 -1.64 0.00 0.00 178.16 178.90 1s5c h GLN 215 N 0.34 0.18 -0.51 1.82 4.20 -1.33 -2.33 115.11 117.49 1s5c h GLN 215 Ca 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1s5c h GLN 215 Cb 0.29 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1s5c h GLN 215 CO 0.00 0.37 0.27 0.77 -0.67 0.00 0.00 178.83 179.58 1s5c h SER 216 N 0.17 0.64 0.04 1.46 0.02 -1.10 -2.32 113.55 112.47 1s5c h SER 216 Ca 0.03 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1s5c h SER 216 Cb 0.44 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1s5c h SER 216 CO 0.03 0.55 -0.23 0.11 -1.14 0.00 0.00 176.83 176.15 1s5c h LYS 217 N 0.68 0.32 0.11 3.45 6.56 -0.91 -0.97 116.57 125.81 1s5c h LYS 217 Ca 0.18 -0.11 -0.27 0.00 -1.06 0.00 0.00 60.65 59.40 1s5c h LYS 217 Cb 0.06 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1s5c h LYS 217 CO -0.03 0.55 -1.21 0.28 -2.06 0.00 0.00 179.45 176.98 1s5c h VAL 218 N 0.29 1.53 -0.03 0.50 2.07 -1.31 -2.44 116.25 116.87 1s5c h VAL 218 Ca 0.05 -3.12 -0.08 0.00 0.82 0.00 0.00 66.70 64.37 1s5c h VAL 218 Cb 0.58 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1s5c h VAL 218 CO 0.04 0.91 -0.36 0.11 0.02 0.00 0.00 177.57 178.29 1s5c h LYS 219 N 0.06 0.06 0.23 1.57 1.57 -1.32 -0.94 116.57 117.81 1s5c h LYS 219 Ca -0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1s5c h LYS 219 Cb 1.94 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1s5c h LYS 219 CO 0.19 0.41 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.29 1s5c h ARG 220 N 0.05 -0.30 0.10 3.15 2.43 -1.02 -1.71 114.38 117.08 1s5c h ARG 220 Ca 0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1s5c h ARG 220 Cb 0.66 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1s5c h ARG 220 CO 0.05 -0.10 -0.15 0.37 -1.51 0.00 0.00 179.97 178.62 1s5c h GLN 221 N -0.44 -0.29 0.13 0.20 5.75 -1.13 -2.16 115.11 117.17 1s5c h GLN 221 Ca -0.03 0.02 -0.22 0.00 -0.15 0.00 0.00 58.65 58.27 1s5c h GLN 221 Cb 0.34 0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.97 1s5c h GLN 221 CO 0.05 -0.19 -1.01 0.82 -2.65 0.00 0.00 178.83 175.85 1s5c h ILE 222 N -0.30 1.36 0.00 2.39 2.04 -1.21 -3.09 117.51 118.69 1s5c h ILE 222 Ca 0.02 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1s5c h ILE 222 Cb 0.32 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1s5c h ILE 222 CO -0.08 0.71 0.00 -0.26 0.00 0.00 0.00 178.15 178.52 1s5c h PHE 223 N -0.36 0.00 -0.17 1.37 0.04 -1.43 -1.76 116.94 114.63 1s5c h PHE 223 Ca -0.19 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.40 1s5c h PHE 223 Cb 1.68 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.83 1s5c h PHE 223 CO 0.17 0.00 -0.56 0.77 -0.60 0.00 0.00 178.31 178.09 1s5c h SER 224 N 0.00 0.79 -0.90 2.17 0.02 -1.44 -2.36 113.55 111.83 1s5c h SER 224 Ca 0.00 -0.60 -0.02 0.00 -0.84 0.00 0.00 61.79 60.33 1s5c h SER 224 Cb 0.61 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1s5c h SER 224 CO 0.00 1.25 0.49 1.23 -1.14 0.00 0.00 176.83 178.66 1s5c h GLY 225 N 0.37 1.35 2.00 -3.77 0.00 -1.43 -0.50 103.07 101.08 1s5c h GLY 225 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1s5c h GLY 225 CO 0.12 0.59 0.00 -0.97 0.00 0.00 0.00 176.54 176.28 1s5c h TYR 226 N 1.26 0.00 -0.43 5.60 0.05 -1.27 -2.15 116.97 120.02 1s5c h TYR 226 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.10 1s5c h TYR 226 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1s5c h TYR 226 CO 0.01 0.00 0.00 1.04 -1.05 0.00 0.00 178.16 178.16 1s5c n GLN 227 N -3.06 3.09 0.00 4.88 6.02 -0.79 -4.21 117.38 123.30 1s5c n GLN 227 Ca -0.00 -2.49 0.11 0.00 -0.01 0.00 0.00 57.00 54.61 1s5c n GLN 227 Cb 0.25 -1.58 0.67 0.00 1.02 0.00 0.00 30.24 30.61 1s5c n GLN 227 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1s5c n SER 228 N 0.53 0.00 -0.02 1.08 3.41 -0.27 -3.14 113.62 115.21 1s5c n SER 228 Ca 0.18 -1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 57.41 1s5c n SER 228 Cb 0.66 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1s5c n SER 228 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1s5c h ASP 229 N 0.00 -1.30 -2.76 4.04 3.58 -1.74 -3.48 116.42 114.75 1s5c h ASP 229 Ca 0.00 0.18 -0.59 0.00 0.42 0.00 0.00 57.03 57.04 1s5c h ASP 229 Cb 0.00 0.54 0.11 0.00 1.72 0.00 0.00 39.33 41.70 1s5c h ASP 229 CO 0.00 -0.41 0.31 -0.38 -2.88 0.00 0.00 179.24 175.88 1s5c n ILE 230 N -5.43 1.86 -3.59 2.25 5.41 -1.19 -5.00 119.36 113.68 1s5c n ILE 230 Ca -0.03 -0.47 -0.29 0.00 1.00 0.00 0.00 62.75 62.96 1s5c n ILE 230 Cb 0.36 -1.23 -0.14 0.00 -0.71 0.00 0.00 39.64 37.92 1s5c n ILE 230 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s5c s ASP 231 N -0.38 3.51 0.11 4.38 -1.08 -1.26 -5.04 116.67 116.91 1s5c s ASP 231 Ca 0.59 -1.83 -0.28 0.00 -0.52 0.00 0.00 52.55 50.51 1s5c s ASP 231 Cb -0.66 -0.59 -0.10 0.00 -1.46 0.00 0.00 42.92 40.11 1s5c s ASP 231 CO 0.60 -0.37 1.64 0.74 0.52 0.00 0.00 175.17 178.29 1s5c h THR 232 N 5.86 0.41 -0.91 1.71 2.02 -2.04 -2.91 112.91 117.06 1s5c h THR 232 Ca -0.08 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.24 1s5c h THR 232 Cb 0.99 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 1s5c h THR 232 CO 0.40 0.00 0.51 -0.74 0.37 0.00 0.00 175.52 176.07 1s5c h HIS 233 N -0.53 0.91 0.00 3.16 6.17 -2.04 -3.58 115.15 119.24 1s5c h HIS 233 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1s5c h HIS 233 Cb 0.52 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1s5c h HIS 233 CO -0.21 0.26 0.00 -1.71 0.71 0.00 0.00 177.93 176.98