#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c s SER 2 N 0.00 0.65 -0.05 1.61 0.01 -1.26 -5.06 113.70 109.60 1x5c s SER 2 Ca 0.00 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.35 1x5c s SER 2 Cb 0.00 -2.14 0.11 0.00 0.21 0.00 0.00 66.02 64.20 1x5c s SER 2 CO 0.00 -4.38 0.94 -0.55 0.41 0.00 0.00 173.24 169.65 1x5c s SER 3 N -2.62 -0.34 -0.32 2.44 0.15 -1.26 -5.10 113.70 106.66 1x5c s SER 3 Ca 0.68 0.06 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1x5c s SER 3 Cb -0.24 0.35 0.22 0.00 -1.71 0.00 0.00 66.02 64.64 1x5c s SER 3 CO 0.64 -0.54 1.27 0.61 1.20 0.00 0.00 173.24 176.42 1x5c n GLY 4 N -0.08 -1.23 0.31 9.45 0.00 -1.26 -5.02 105.19 107.36 1x5c n GLY 4 Ca -0.08 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.57 1x5c n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x5c h SER 5 N 1.73 -0.18 -7.12 1.61 4.64 -1.99 -3.44 113.55 108.79 1x5c h SER 5 Ca -0.43 0.22 -0.62 0.00 -0.47 0.00 0.00 61.79 60.48 1x5c h SER 5 Cb 1.23 0.33 -0.30 0.00 -0.31 0.00 0.00 62.40 63.35 1x5c h SER 5 CO -0.09 -0.21 -0.93 -1.54 -0.87 0.00 0.00 176.83 173.19 1x5c n SER 6 N -5.31 -0.83 -1.17 4.97 3.41 -1.26 -4.45 113.62 108.98 1x5c n SER 6 Ca 0.20 -1.24 0.15 0.00 -0.26 0.00 0.00 58.87 57.72 1x5c n SER 6 Cb 0.65 -1.70 -0.06 0.00 -0.26 0.00 0.00 64.21 62.84 1x5c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5c n GLY 7 N -1.68 -2.61 0.06 5.00 0.00 -1.26 -4.64 105.19 100.06 1x5c n GLY 7 Ca -0.06 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1x5c n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5c h PRO 8 N -1.13 -0.02 -5.42 1.61 0.13 -1.89 -3.44 132.00 121.84 1x5c h PRO 8 Ca -0.08 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1x5c h PRO 8 Cb 1.10 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.94 1x5c h PRO 8 CO 0.04 0.46 -0.83 0.54 -0.23 0.00 0.00 178.00 177.99 1x5c s VAL 9 N -4.24 2.51 0.39 1.56 0.11 -1.26 -2.92 120.40 116.55 1x5c s VAL 9 Ca -0.16 -0.87 -0.26 0.00 -2.93 0.00 0.00 61.98 57.76 1x5c s VAL 9 Cb 0.02 -2.00 -0.09 0.00 -1.53 0.00 0.00 36.38 32.78 1x5c s VAL 9 CO 0.66 0.55 1.28 -0.75 -3.33 0.00 0.00 175.10 173.51 1x5c s LYS 10 N 0.26 4.03 -0.26 1.54 2.36 -0.77 -4.78 119.74 122.12 1x5c s LYS 10 Ca -0.13 2.11 -0.10 0.00 -2.55 0.00 0.00 55.97 55.30 1x5c s LYS 10 Cb -0.17 -2.79 -0.04 0.00 -1.05 0.00 0.00 37.83 33.79 1x5c s LYS 10 CO 0.07 -0.42 0.14 0.08 1.55 0.00 0.00 175.35 176.77 1x5c s VAL 11 N -1.27 4.94 0.02 4.02 1.01 -1.26 0.01 120.40 127.87 1x5c s VAL 11 Ca 0.56 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1x5c s VAL 11 Cb -0.37 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1x5c s VAL 11 CO 0.48 0.30 0.26 -0.76 0.00 0.00 0.00 175.10 175.37 1x5c s LEU 12 N 1.60 4.36 0.26 3.92 1.43 -0.35 -4.94 118.68 124.96 1x5c s LEU 12 Ca 0.07 0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1x5c s LEU 12 Cb -0.15 -2.72 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1x5c s LEU 12 CO 0.08 0.24 -0.05 0.68 0.23 0.00 0.00 176.35 177.53 1x5c s VAL 13 N -1.34 1.46 -2.00 -1.59 -7.23 -1.26 -4.52 120.40 103.92 1x5c s VAL 13 Ca 0.29 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.44 1x5c s VAL 13 Cb -0.13 -2.39 0.24 0.00 0.56 0.00 0.00 36.38 34.66 1x5c s VAL 13 CO 0.18 -0.33 0.98 0.61 -0.31 0.00 0.00 175.10 176.23 1x5c n GLY 14 N -0.52 -0.54 0.09 2.32 0.00 -1.26 0.19 105.19 105.46 1x5c n GLY 14 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -0.75 0.68 -0.11 1.61 4.81 -1.26 -4.67 118.16 118.47 1x5c n LYS 15 Ca 0.06 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.62 1x5c n LYS 15 Cb 0.03 -1.38 0.04 0.00 0.02 0.00 0.00 35.03 33.75 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1x5c n ASN 16 N -2.96 1.39 -0.02 3.14 6.94 -1.08 -4.86 115.26 117.82 1x5c n ASN 16 Ca -0.32 -2.16 -0.08 0.00 -0.02 0.00 0.00 54.58 52.01 1x5c n ASN 16 Cb 0.88 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 38.08 1x5c n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x5c h PHE 17 N 0.00 -0.84 0.00 -2.53 3.57 0.17 -0.15 116.94 117.16 1x5c h PHE 17 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1x5c h PHE 17 Cb 0.91 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1x5c h PHE 17 CO 0.02 -0.27 -0.03 0.93 -2.23 0.00 0.00 178.31 176.73 1x5c h GLU 18 N -0.28 0.00 -0.48 1.11 3.07 -1.89 0.25 114.58 116.36 1x5c h GLU 18 Ca 0.02 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1x5c h GLU 18 Cb 0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 1x5c h GLU 18 CO -0.24 0.03 -0.04 0.22 -1.40 0.00 0.00 179.01 177.58 1x5c h ASP 19 N 0.00 -0.28 0.05 1.42 1.82 -1.34 -1.38 116.42 116.71 1x5c h ASP 19 Ca -0.00 0.12 -0.38 0.00 -0.39 0.00 0.00 57.03 56.38 1x5c h ASP 19 Cb 0.05 0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.25 1x5c h ASP 19 CO 0.00 -0.10 -2.25 0.52 -1.61 0.00 0.00 179.24 175.81 1x5c n VAL 20 N -5.26 1.61 0.03 2.25 0.31 -0.99 -4.56 118.33 111.71 1x5c n VAL 20 Ca 0.05 -0.56 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 1x5c n VAL 20 Cb 0.26 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c h ALA 21 N -0.07 -0.77 -1.54 3.52 0.00 -0.49 -3.31 119.26 116.60 1x5c h ALA 21 Ca -0.52 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 53.71 1x5c h ALA 21 Cb 1.90 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 20.33 1x5c h ALA 21 CO -0.05 -0.87 1.04 -0.06 0.00 0.00 0.00 179.25 179.31 1x5c s PHE 22 N -4.63 2.74 -0.03 0.00 0.08 -0.53 -4.65 117.98 110.97 1x5c s PHE 22 Ca -0.09 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.08 1x5c s PHE 22 Cb 0.04 -4.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.02 1x5c s PHE 22 CO 0.36 -1.74 -0.12 0.34 -0.10 0.00 0.00 175.22 173.97 1x5c s ASP 23 N 4.12 1.53 0.27 1.36 2.15 -1.25 -4.78 116.67 120.07 1x5c s ASP 23 Ca 0.36 -0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.81 1x5c s ASP 23 Cb -0.06 -0.42 -0.09 0.00 -0.30 0.00 0.00 42.92 42.05 1x5c s ASP 23 CO -0.03 0.09 0.97 -1.83 -0.17 0.00 0.00 175.17 174.20 1x5c s GLU 24 N 0.15 4.73 -1.38 4.34 1.03 -1.26 -3.50 118.70 122.82 1x5c s GLU 24 Ca -0.04 1.51 -0.01 0.00 0.03 0.00 0.00 54.97 56.46 1x5c s GLU 24 Cb -0.10 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 30.11 1x5c s GLU 24 CO 0.01 0.39 0.16 1.63 -1.33 0.00 0.00 175.26 176.12 1x5c n LYS 25 N 1.17 -2.17 -3.64 -4.83 4.76 -1.24 -4.98 118.16 107.23 1x5c n LYS 25 Ca -0.01 0.79 -0.06 0.00 -2.87 0.00 0.00 58.31 56.16 1x5c n LYS 25 Cb 0.47 -5.24 -0.08 0.00 -1.84 0.00 0.00 35.03 28.35 1x5c n LYS 25 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1x5c s LYS 26 N -5.04 0.40 -0.77 1.97 2.47 -1.23 -4.81 119.74 112.73 1x5c s LYS 26 Ca 0.08 1.15 -0.20 0.00 -1.56 0.00 0.00 55.97 55.43 1x5c s LYS 26 Cb -0.03 0.48 0.10 0.00 -1.46 0.00 0.00 37.83 36.92 1x5c s LYS 26 CO 0.10 -0.25 1.00 -0.80 0.16 0.00 0.00 175.35 175.55 1x5c s ASN 27 N 2.70 6.38 -0.17 1.43 0.01 0.25 -4.11 114.94 121.44 1x5c s ASN 27 Ca -0.02 -1.54 -0.14 0.00 -0.71 0.00 0.00 52.86 50.45 1x5c s ASN 27 Cb -0.12 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1x5c s ASN 27 CO -0.15 -1.22 0.29 -0.69 -1.51 0.00 0.00 177.10 173.83 1x5c s VAL 28 N 3.22 5.30 -0.45 1.60 1.01 -0.96 -1.42 120.40 128.71 1x5c s VAL 28 Ca 0.25 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 1x5c s VAL 28 Cb -0.12 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1x5c s VAL 28 CO 0.01 0.37 0.29 0.12 0.00 0.00 0.00 175.10 175.88 1x5c s PHE 29 N 0.60 3.50 0.61 5.22 5.36 -0.66 -0.76 117.98 131.85 1x5c s PHE 29 Ca 0.16 -2.12 -0.09 0.00 -0.96 0.00 0.00 56.93 53.92 1x5c s PHE 29 Cb -0.13 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.15 1x5c s PHE 29 CO 0.04 -0.99 0.98 0.08 -1.46 0.00 0.00 175.22 173.88 1x5c s VAL 30 N 1.25 4.22 -0.24 3.12 1.01 -0.92 -1.82 120.40 127.02 1x5c s VAL 30 Ca 0.07 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1x5c s VAL 30 Cb -0.25 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.54 1x5c s VAL 30 CO -0.02 -0.83 0.16 -0.70 0.00 0.00 0.00 175.10 173.71 1x5c s GLU 31 N -5.12 0.17 -0.77 2.72 2.12 -0.80 -2.73 118.70 114.28 1x5c s GLU 31 Ca 0.54 -0.19 -0.25 0.00 0.36 0.00 0.00 54.97 55.43 1x5c s GLU 31 Cb -0.11 -1.30 0.05 0.00 0.26 0.00 0.00 34.13 33.03 1x5c s GLU 31 CO 0.50 -0.84 1.22 -0.06 -0.54 0.00 0.00 175.26 175.54 1x5c s PHE 32 N 2.19 2.47 0.44 5.30 0.08 0.22 -1.91 117.98 126.78 1x5c s PHE 32 Ca 0.06 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.81 1x5c s PHE 32 Cb -0.16 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.76 1x5c s PHE 32 CO -0.23 -1.91 0.47 1.52 -0.10 0.00 0.00 175.22 174.96 1x5c s TYR 33 N 5.01 2.52 -0.03 0.36 -0.85 -1.00 -1.30 117.35 122.06 1x5c s TYR 33 Ca 0.33 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.40 1x5c s TYR 33 Cb -0.09 -2.21 -0.00 0.00 0.38 0.00 0.00 41.96 40.04 1x5c s TYR 33 CO 0.08 -0.32 -0.14 0.00 -1.52 0.00 0.00 175.55 173.65 1x5c s ALA 34 N -2.49 1.28 -1.45 9.51 0.00 -1.26 -3.27 121.76 124.08 1x5c s ALA 34 Ca 0.50 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.04 1x5c s ALA 34 Cb -0.05 -0.42 0.76 0.00 0.00 0.00 0.00 23.12 23.40 1x5c s ALA 34 CO 0.30 0.24 1.41 -0.35 0.00 0.00 0.00 175.76 177.35 1x5c n PRO 35 N 3.14 0.22 0.00 0.00 -0.04 -1.26 -2.43 135.00 134.64 1x5c n PRO 35 Ca -0.18 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1x5c n PRO 35 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1x5c n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5c n TRP 36 N -1.27 0.00 -2.32 0.54 4.27 -1.26 -4.95 117.44 112.45 1x5c n TRP 36 Ca 0.07 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.30 1x5c n TRP 36 Cb 0.12 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.03 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c n GLY 38 N 5.98 -1.13 0.22 0.00 0.00 -1.26 0.96 105.19 109.95 1x5c n GLY 38 Ca 0.19 0.83 -0.01 0.00 0.00 0.00 0.00 46.02 47.04 1x5c n GLY 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x5c h HIS 39 N 0.00 -0.06 -0.54 1.61 3.86 -1.91 -1.23 115.15 116.88 1x5c h HIS 39 Ca 0.53 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.89 1x5c h HIS 39 Cb 1.11 0.11 -0.10 0.00 1.06 0.00 0.00 27.41 29.60 1x5c h HIS 39 CO -0.41 -0.15 -0.06 0.00 0.86 0.00 0.00 177.93 178.17 1x5c h LYS 41 N 0.06 0.00 0.00 0.00 1.57 -1.15 1.79 116.57 118.84 1x5c h LYS 41 Ca 0.27 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.84 1x5c h LYS 41 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1x5c h LYS 41 CO -0.50 0.00 -1.33 1.96 -0.57 0.00 0.00 179.45 179.00 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 4.20 -0.61 -3.31 115.11 118.53 1x5c h GLN 42 Ca 0.66 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 1x5c h GLN 42 Cb 2.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.60 1x5c h GLN 42 CO -0.01 0.51 -0.23 1.25 -0.67 0.00 0.00 178.83 179.68 1x5c h LEU 43 N 0.00 0.00 -0.17 1.46 5.85 0.29 -3.32 115.31 119.41 1x5c h LEU 43 Ca -0.16 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1x5c h LEU 43 Cb 1.75 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.71 1x5c h LEU 43 CO 0.08 0.02 -0.29 0.00 -0.34 0.00 0.00 178.44 177.91 1x5c h ALA 44 N 2.26 -0.27 -0.05 1.25 0.00 -0.57 0.50 119.26 122.38 1x5c h ALA 44 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x5c h ALA 44 Cb 0.87 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1x5c h ALA 44 CO 0.00 -0.74 -0.05 -1.00 0.00 0.00 0.00 179.25 177.45 1x5c h PRO 45 N -0.33 0.13 -0.98 0.00 0.13 -1.78 -1.81 132.00 127.34 1x5c h PRO 45 Ca 0.11 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1x5c h PRO 45 Cb 0.51 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1x5c h PRO 45 CO -0.36 0.58 0.64 0.82 -0.23 0.00 0.00 178.00 179.44 1x5c h ILE 46 N -0.32 1.09 -0.12 -3.56 2.04 -1.62 0.27 117.51 115.29 1x5c h ILE 46 Ca 0.01 -0.40 -0.16 0.00 1.00 0.00 0.00 64.86 65.31 1x5c h ILE 46 Cb 0.56 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1x5c h ILE 46 CO 0.01 0.21 -0.62 -0.25 0.00 0.00 0.00 178.15 177.50 1x5c h TRP 47 N 1.15 0.54 0.00 1.37 2.91 -0.01 -2.44 115.95 119.47 1x5c h TRP 47 Ca 0.42 -0.21 -0.13 0.00 1.13 0.00 0.00 58.89 60.10 1x5c h TRP 47 Cb 0.16 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.70 1x5c h TRP 47 CO -0.00 0.93 -0.60 0.22 -1.03 0.00 0.00 178.44 177.96 1x5c h ASP 48 N 0.31 0.00 1.14 2.65 3.58 -0.40 -1.71 116.42 121.99 1x5c h ASP 48 Ca -0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1x5c h ASP 48 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1x5c h ASP 48 CO 0.11 0.60 -0.63 0.11 -2.88 0.00 0.00 179.24 176.55 1x5c h LYS 49 N 0.00 0.00 0.15 0.28 1.57 -0.39 -3.16 116.57 115.02 1x5c h LYS 49 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1x5c h LYS 49 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1x5c h LYS 49 CO 0.08 0.63 -1.64 1.25 -0.57 0.00 0.00 179.45 179.20 1x5c h LEU 50 N 0.00 0.50 -0.84 2.94 5.85 -1.35 -3.32 115.31 119.09 1x5c h LEU 50 Ca -0.01 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.01 1x5c h LEU 50 Cb 1.37 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1x5c h LEU 50 CO 0.08 1.61 0.55 1.23 -0.34 0.00 0.00 178.44 181.57 1x5c h GLY 51 N 1.20 1.19 2.00 3.75 0.00 -1.38 -1.61 103.07 108.22 1x5c h GLY 51 Ca -0.29 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1x5c h GLY 51 CO 0.17 0.39 -0.15 1.05 0.00 0.00 0.00 176.54 178.00 1x5c h GLU 52 N 1.09 0.00 -0.47 4.80 4.11 -1.49 0.12 114.58 122.74 1x5c h GLU 52 Ca 0.32 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.63 1x5c h GLU 52 Cb -0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1x5c h GLU 52 CO -0.09 0.15 -0.18 1.15 0.07 0.00 0.00 179.01 180.11 1x5c h THR 53 N 0.00 1.27 -0.38 -1.06 2.02 -1.40 -3.15 112.91 110.21 1x5c h THR 53 Ca -0.00 -1.32 -0.23 0.00 0.77 0.00 0.00 66.41 65.63 1x5c h THR 53 Cb 0.29 1.09 -0.15 0.00 -1.74 0.00 0.00 68.15 67.64 1x5c h THR 53 CO 0.02 0.45 -0.24 -1.22 0.37 0.00 0.00 175.52 174.91 1x5c n TYR 54 N -4.12 1.25 0.09 3.16 4.02 -0.91 -4.64 117.16 115.99 1x5c n TYR 54 Ca 0.01 -1.77 -0.05 0.00 -0.01 0.00 0.00 57.90 56.07 1x5c n TYR 54 Cb 0.43 -0.47 -0.01 0.00 -0.02 0.00 0.00 39.34 39.26 1x5c n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1x5c h LYS 55 N 1.24 0.01 -0.13 -0.72 2.10 -0.73 -3.27 116.57 115.08 1x5c h LYS 55 Ca 0.22 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.82 1x5c h LYS 55 Cb 1.46 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.77 1x5c h LYS 55 CO 0.44 0.87 -0.12 -3.47 -2.00 0.00 0.00 179.45 175.17 1x5c n ASP 56 N -3.52 2.60 -3.05 7.07 2.03 -1.26 -5.02 116.55 115.40 1x5c n ASP 56 Ca -0.01 -3.39 -0.14 0.00 0.52 0.00 0.00 54.79 51.77 1x5c n ASP 56 Cb 0.82 -0.52 0.13 0.00 -0.72 0.00 0.00 41.12 40.83 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1x5c n HIS 57 N -1.09 -3.21 -0.12 -0.67 -0.00 -1.23 -5.03 115.22 103.86 1x5c n HIS 57 Ca 0.21 -0.44 -0.25 0.00 0.46 0.00 0.00 57.72 57.70 1x5c n HIS 57 Cb 0.79 -0.57 -0.09 0.00 -0.12 0.00 0.00 29.99 30.00 1x5c n HIS 57 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1x5c n GLU 58 N -3.39 0.52 -0.01 1.57 0.28 -1.26 -4.81 120.64 113.55 1x5c n GLU 58 Ca 0.07 0.22 -0.01 0.00 -0.16 0.00 0.00 57.16 57.28 1x5c n GLU 58 Cb 0.28 -1.38 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x5c n ASN 59 N -3.98 4.15 -4.64 -1.84 0.23 -1.26 -4.97 115.26 102.96 1x5c n ASN 59 Ca -0.47 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.15 1x5c n ASN 59 Cb 0.85 0.71 -0.03 0.00 -2.08 0.00 0.00 39.78 39.24 1x5c n ASN 59 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1x5c s ILE 60 N -2.12 4.65 -0.21 1.53 1.01 -1.26 0.86 121.20 125.66 1x5c s ILE 60 Ca -0.02 1.68 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1x5c s ILE 60 Cb 0.01 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 38.25 1x5c s ILE 60 CO 0.14 -0.31 0.02 -0.69 0.00 0.00 0.00 174.94 174.11 1x5c s VAL 61 N 3.30 0.72 0.29 2.92 1.01 -0.50 -4.25 120.40 123.89 1x5c s VAL 61 Ca 0.41 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1x5c s VAL 61 Cb -0.14 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 1x5c s VAL 61 CO 0.11 -0.22 0.95 -0.63 0.00 0.00 0.00 175.10 175.31 1x5c s ILE 62 N 1.76 4.11 -0.01 2.22 -1.09 -1.26 -1.66 121.20 125.28 1x5c s ILE 62 Ca -0.01 1.90 -0.16 0.00 -2.23 0.00 0.00 60.65 60.15 1x5c s ILE 62 Cb -0.17 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1x5c s ILE 62 CO -0.09 0.29 0.34 0.00 -1.23 0.00 0.00 174.94 174.25 1x5c s ALA 63 N -1.42 -0.85 -0.01 9.38 0.00 -0.75 -1.85 121.76 126.25 1x5c s ALA 63 Ca 0.47 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1x5c s ALA 63 Cb -0.22 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1x5c s ALA 63 CO 0.28 -0.30 -0.18 -1.59 0.00 0.00 0.00 175.76 173.98 1x5c s LYS 64 N -1.52 1.41 0.01 0.00 -2.85 0.10 -1.91 119.74 114.99 1x5c s LYS 64 Ca -0.12 -0.63 0.01 0.00 -1.00 0.00 0.00 55.97 54.23 1x5c s LYS 64 Cb -0.04 -1.37 -0.01 0.00 -2.06 0.00 0.00 37.83 34.35 1x5c s LYS 64 CO 0.03 0.37 -0.04 1.41 0.10 0.00 0.00 175.35 177.23 1x5c s MET 65 N -0.43 0.31 -0.65 1.78 1.75 -0.80 -1.21 119.30 120.04 1x5c s MET 65 Ca 0.07 -0.32 -0.18 0.00 -1.25 0.00 0.00 55.69 54.01 1x5c s MET 65 Cb -0.07 -0.19 0.13 0.00 2.84 0.00 0.00 34.83 37.55 1x5c s MET 65 CO -0.01 0.04 0.72 0.34 -0.65 0.00 0.00 175.02 175.46 1x5c s ASP 66 N -0.62 6.32 0.43 1.11 -1.08 -1.26 -2.38 116.67 119.20 1x5c s ASP 66 Ca -0.04 -1.76 0.15 0.00 -0.52 0.00 0.00 52.55 50.38 1x5c s ASP 66 Cb -0.04 -2.28 1.05 0.00 -1.46 0.00 0.00 42.92 40.19 1x5c s ASP 66 CO -0.00 -0.98 1.94 -1.28 0.52 0.00 0.00 175.17 175.37 1x5c h SER 67 N 8.87 0.38 1.10 -0.34 0.87 -1.68 1.67 113.55 124.43 1x5c h SER 67 Ca -0.19 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 1x5c h SER 67 Cb 1.08 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1x5c h SER 67 CO 1.04 0.21 -0.23 0.71 -0.53 0.00 0.00 176.83 178.03 1x5c h THR 68 N 0.41 0.50 0.00 2.23 1.35 -1.91 -3.09 112.91 112.40 1x5c h THR 68 Ca 0.34 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1x5c h THR 68 Cb 0.75 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1x5c h THR 68 CO -0.10 0.22 -0.88 0.00 -0.25 0.00 0.00 175.52 174.51 1x5c n ALA 69 N -2.20 3.71 -3.31 6.62 0.00 0.82 -4.88 120.51 121.26 1x5c n ALA 69 Ca 0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1x5c n ALA 69 Cb 0.47 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 1x5c n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5c s ASN 70 N -2.65 0.20 -0.16 0.00 0.01 0.54 -4.88 114.94 108.00 1x5c s ASN 70 Ca 0.04 -0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.06 1x5c s ASN 70 Cb 0.11 1.18 -0.05 0.00 0.41 0.00 0.00 41.25 42.90 1x5c s ASN 70 CO 0.62 -0.32 0.15 -0.70 -1.51 0.00 0.00 177.10 175.33 1x5c s GLU 71 N 2.57 3.85 -0.01 -0.60 2.12 -1.23 -3.97 118.70 121.42 1x5c s GLU 71 Ca 0.12 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1x5c s GLU 71 Cb -0.14 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 1x5c s GLU 71 CO -0.23 0.52 -0.08 0.14 -0.54 0.00 0.00 175.26 175.07 1x5c s VAL 72 N -0.30 0.64 0.03 3.70 -7.23 -1.26 -4.96 120.40 111.02 1x5c s VAL 72 Ca 0.12 -0.34 0.21 0.00 -1.81 0.00 0.00 61.98 60.16 1x5c s VAL 72 Cb -0.12 -0.54 0.19 0.00 0.56 0.00 0.00 36.38 36.47 1x5c s VAL 72 CO 0.01 0.18 1.71 1.05 -0.31 0.00 0.00 175.10 177.75 1x5c h GLU 73 N 6.00 0.00 0.00 4.82 4.11 -2.02 -2.92 114.58 124.57 1x5c h GLU 73 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1x5c h GLU 73 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1x5c h GLU 73 CO 0.50 0.29 0.00 0.00 0.07 0.00 0.00 179.01 179.87 1x5c n ALA 74 N -2.22 1.61 -3.67 1.06 0.00 -1.26 -4.50 120.51 111.53 1x5c n ALA 74 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1x5c n ALA 74 Cb 0.52 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1x5c n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5c s VAL 75 N -2.56 -0.38 -0.22 0.00 1.01 -1.10 -5.00 120.40 112.14 1x5c s VAL 75 Ca 0.09 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1x5c s VAL 75 Cb 0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1x5c s VAL 75 CO 0.14 0.05 0.29 -0.54 0.00 0.00 0.00 175.10 175.05 1x5c s LYS 76 N 2.10 4.13 -0.29 2.72 -0.14 -1.26 -4.54 119.74 122.46 1x5c s LYS 76 Ca -0.05 -0.00 -0.02 0.00 -1.36 0.00 0.00 55.97 54.54 1x5c s LYS 76 Cb -0.10 -3.53 0.09 0.00 -1.68 0.00 0.00 37.83 32.61 1x5c s LYS 76 CO -0.13 0.01 0.10 0.08 -0.76 0.00 0.00 175.35 174.64 1x5c s VAL 77 N 1.18 0.58 -0.36 3.17 1.01 -1.26 -4.98 120.40 119.73 1x5c s VAL 77 Ca 0.14 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1x5c s VAL 77 Cb -0.14 -1.39 0.61 0.00 0.00 0.00 0.00 36.38 35.45 1x5c s VAL 77 CO 0.06 -0.62 1.70 1.41 0.00 0.00 0.00 175.10 177.65 1x5c n HIS 78 N 4.98 2.12 -3.77 5.22 8.25 -1.26 -4.98 115.22 125.78 1x5c n HIS 78 Ca -0.04 -1.65 0.01 0.00 -0.26 0.00 0.00 57.72 55.78 1x5c n HIS 78 Cb 0.43 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.83 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x5c s SER 79 N -1.80 -0.04 -0.06 0.41 1.04 -1.26 -5.19 113.70 106.79 1x5c s SER 79 Ca 0.51 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 1x5c s SER 79 Cb 0.44 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.87 1x5c s SER 79 CO 0.07 -0.43 0.77 -0.36 0.98 0.00 0.00 173.24 174.27 1x5c s PHE 80 N -2.35 -0.55 0.48 5.02 0.40 -1.26 -4.18 117.98 115.54 1x5c s PHE 80 Ca 0.19 0.88 -0.22 0.00 -0.60 0.00 0.00 56.93 57.19 1x5c s PHE 80 Cb 0.02 0.44 -0.07 0.00 0.51 0.00 0.00 43.02 43.92 1x5c s PHE 80 CO -0.01 -0.55 1.16 -1.25 0.70 0.00 0.00 175.22 175.26 1x5c s PRO 81 N -1.47 3.65 -0.13 0.24 0.04 -1.26 -4.91 135.00 131.16 1x5c s PRO 81 Ca -0.07 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1x5c s PRO 81 Cb -0.00 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1x5c s PRO 81 CO 0.05 -0.63 -0.13 0.99 0.04 0.00 0.00 177.00 177.32 1x5c s THR 82 N -1.60 1.44 -0.05 1.26 2.01 -0.42 -5.03 115.64 113.25 1x5c s THR 82 Ca 0.66 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1x5c s THR 82 Cb -0.27 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1x5c s THR 82 CO 0.33 0.44 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.85 1x5c s LEU 83 N 1.44 3.08 -0.04 4.42 1.43 -1.26 0.70 118.68 128.45 1x5c s LEU 83 Ca 0.03 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1x5c s LEU 83 Cb -0.13 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1x5c s LEU 83 CO -0.08 0.35 0.06 -0.54 0.23 0.00 0.00 176.35 176.36 1x5c s LYS 84 N -0.90 -0.04 -0.12 1.70 1.02 -1.10 -2.97 119.74 117.32 1x5c s LYS 84 Ca 0.13 0.32 -0.17 0.00 0.02 0.00 0.00 55.97 56.28 1x5c s LYS 84 Cb -0.11 -0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 1x5c s LYS 84 CO 0.02 -0.26 0.42 0.12 -0.92 0.00 0.00 175.35 174.74 1x5c s PHE 85 N 1.71 3.52 -0.35 3.18 2.19 0.79 -2.17 117.98 126.85 1x5c s PHE 85 Ca -0.01 0.82 -0.08 0.00 0.33 0.00 0.00 56.93 57.98 1x5c s PHE 85 Cb -0.12 -2.47 0.03 0.00 -1.31 0.00 0.00 43.02 39.14 1x5c s PHE 85 CO -0.03 0.22 0.14 -0.06 1.83 0.00 0.00 175.22 177.32 1x5c s PHE 86 N 0.45 3.24 0.91 10.12 0.08 0.06 0.30 117.98 133.14 1x5c s PHE 86 Ca 0.23 -1.20 -0.12 0.00 0.12 0.00 0.00 56.93 55.97 1x5c s PHE 86 Cb -0.15 -2.34 0.14 0.00 -0.57 0.00 0.00 43.02 40.10 1x5c s PHE 86 CO 0.09 -0.68 1.09 -1.25 -0.10 0.00 0.00 175.22 174.37 1x5c s PRO 87 N 1.47 1.16 0.00 0.24 0.04 -1.26 -2.26 135.00 134.39 1x5c s PRO 87 Ca 0.00 0.79 -0.04 0.00 0.04 0.00 0.00 61.00 61.79 1x5c s PRO 87 Cb -0.19 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 1x5c s PRO 87 CO 0.04 -2.30 2.90 0.00 0.04 0.00 0.00 177.00 177.68 1x5c n ALA 88 N -3.92 5.27 -2.64 8.56 0.00 -1.26 -4.78 120.51 121.75 1x5c n ALA 88 Ca 0.07 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.93 1x5c n ALA 88 Cb 0.55 -1.99 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5c s SER 89 N 2.07 6.23 0.60 0.00 0.01 -1.26 -3.66 113.70 117.70 1x5c s SER 89 Ca 0.44 0.26 0.27 0.00 1.31 0.00 0.00 55.95 58.23 1x5c s SER 89 Cb 0.21 -2.18 1.13 0.00 0.21 0.00 0.00 66.02 65.39 1x5c s SER 89 CO 0.00 -0.07 1.52 0.00 0.41 0.00 0.00 173.24 175.10 1x5c h ALA 90 N 7.81 2.65 -1.71 1.44 0.00 -1.89 -3.40 119.26 124.16 1x5c h ALA 90 Ca -0.35 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.08 1x5c h ALA 90 Cb 1.17 0.06 0.08 0.00 0.00 0.00 0.00 17.79 19.10 1x5c h ALA 90 CO 0.65 -1.35 0.12 -0.51 0.00 0.00 0.00 179.25 178.16 1x5c s ASP 91 N -4.07 4.58 -1.31 0.00 1.01 -1.26 -4.89 116.67 110.73 1x5c s ASP 91 Ca -0.03 -0.07 -0.11 0.00 0.71 0.00 0.00 52.55 53.05 1x5c s ASP 91 Cb 0.14 -0.47 0.14 0.00 1.01 0.00 0.00 42.92 43.74 1x5c s ASP 91 CO 0.49 -1.69 1.90 0.54 0.21 0.00 0.00 175.17 176.61 1x5c n ARG 92 N -2.80 3.45 -3.55 8.23 3.00 -1.26 -4.91 116.66 118.83 1x5c n ARG 92 Ca 0.12 -3.37 -0.38 0.00 -0.01 0.00 0.00 57.85 54.21 1x5c n ARG 92 Cb 0.60 -3.02 -0.06 0.00 0.00 0.00 0.00 32.46 29.99 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1x5c s THR 93 N 1.11 5.08 -0.04 0.55 2.01 -1.26 -5.09 115.64 118.00 1x5c s THR 93 Ca 0.42 0.74 0.03 0.00 0.31 0.00 0.00 61.69 63.19 1x5c s THR 93 Cb 0.09 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1x5c s THR 93 CO -0.01 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 1x5c s VAL 94 N -1.10 1.11 -0.13 3.82 1.01 -1.26 -4.20 120.40 119.65 1x5c s VAL 94 Ca 0.24 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1x5c s VAL 94 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1x5c s VAL 94 CO 0.13 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 1x5c s ILE 95 N 0.20 3.32 0.20 2.22 1.01 0.15 -4.96 121.20 123.34 1x5c s ILE 95 Ca -0.05 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1x5c s ILE 95 Cb -0.11 -2.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 1x5c s ILE 95 CO 0.02 0.53 1.06 1.51 0.00 0.00 0.00 174.94 178.05 1x5c s ASP 96 N 0.19 7.35 -0.34 3.58 1.47 -1.26 -0.15 116.67 127.51 1x5c s ASP 96 Ca -0.06 2.08 -0.06 0.00 1.18 0.00 0.00 52.55 55.69 1x5c s ASP 96 Cb -0.15 -2.61 0.04 0.00 -0.34 0.00 0.00 42.92 39.87 1x5c s ASP 96 CO 0.04 -0.13 0.11 -0.47 0.68 0.00 0.00 175.17 175.41 1x5c s TYR 97 N -0.58 3.26 -0.53 2.11 6.14 -1.16 -4.86 117.35 121.74 1x5c s TYR 97 Ca 0.47 -1.44 0.06 0.00 0.64 0.00 0.00 57.07 56.80 1x5c s TYR 97 Cb -0.29 -2.30 0.23 0.00 0.42 0.00 0.00 41.96 40.02 1x5c s TYR 97 CO 0.35 -0.73 0.59 0.09 0.64 0.00 0.00 175.55 176.48 1x5c n ASN 98 N 4.81 1.83 0.00 4.32 3.02 -1.26 -4.68 115.26 123.31 1x5c n ASN 98 Ca -0.12 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1x5c n ASN 98 Cb 0.45 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5c n GLY 99 N 1.41 5.71 0.28 7.41 0.00 -1.26 -5.00 105.19 113.74 1x5c n GLY 99 Ca 0.25 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.73 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -5.74 1.61 4.11 -1.98 -3.47 114.58 109.11 1x5c h GLU 100 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 1x5c h GLU 100 Cb 0.00 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.39 1x5c h GLU 100 CO 0.00 0.07 -0.81 0.54 0.07 0.00 0.00 179.01 178.88 1x5c n ARG 101 N -3.30 -5.24 -4.36 1.06 1.74 -1.26 -5.02 116.66 100.29 1x5c n ARG 101 Ca -0.01 0.78 -0.20 0.00 -0.77 0.00 0.00 57.85 57.66 1x5c n ARG 101 Cb 0.26 -5.63 -0.13 0.00 -1.02 0.00 0.00 32.46 25.94 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5c s THR 102 N -3.44 1.03 0.19 0.55 -4.23 -1.26 -4.98 115.64 103.50 1x5c s THR 102 Ca 0.10 -0.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1x5c s THR 102 Cb -0.02 -0.94 0.28 0.00 1.34 0.00 0.00 72.50 73.17 1x5c s THR 102 CO 0.76 0.02 1.14 -0.11 -0.54 0.00 0.00 174.62 175.88 1x5c n LEU 103 N 2.03 -0.34 0.00 4.79 7.94 -1.26 0.24 117.00 130.40 1x5c n LEU 103 Ca -0.18 1.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.89 1x5c n LEU 103 Cb 0.55 -0.35 0.04 0.00 0.53 0.00 0.00 43.42 44.20 1x5c n LEU 103 CO 0.23 -1.18 0.47 0.44 -1.11 0.00 0.00 177.39 176.23 1x5c h ASP 104 N 0.00 0.64 -0.65 1.96 3.32 -1.96 -3.10 116.42 116.64 1x5c h ASP 104 Ca 0.32 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1x5c h ASP 104 Cb 0.50 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1x5c h ASP 104 CO -0.74 1.07 0.28 1.23 -1.72 0.00 0.00 179.24 179.35 1x5c h GLY 105 N 1.04 1.06 0.98 2.75 0.00 0.26 -2.81 103.07 106.35 1x5c h GLY 105 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1x5c h GLY 105 CO 0.11 0.52 0.10 0.74 0.00 0.00 0.00 176.54 178.01 1x5c h PHE 106 N 0.97 0.84 -0.89 5.60 0.04 -0.31 -2.85 116.94 120.34 1x5c h PHE 106 Ca 0.23 -0.11 0.14 0.00 2.80 0.00 0.00 57.97 61.03 1x5c h PHE 106 Cb 0.18 -0.23 -0.09 0.00 2.20 0.00 0.00 35.95 38.00 1x5c h PHE 106 CO 0.01 0.76 0.50 0.87 -0.60 0.00 0.00 178.31 179.86 1x5c h LYS 107 N 0.67 0.73 0.49 1.51 1.57 -1.42 -0.56 116.57 119.55 1x5c h LYS 107 Ca 0.15 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1x5c h LYS 107 Cb 0.36 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x5c h LYS 107 CO 0.01 0.48 -0.23 0.87 -0.57 0.00 0.00 179.45 180.00 1x5c h LYS 108 N 0.75 -0.63 -0.89 3.15 1.57 -1.39 0.25 116.57 119.37 1x5c h LYS 108 Ca 0.47 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.43 1x5c h LYS 108 Cb 0.59 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 1x5c h LYS 108 CO -0.32 -0.37 0.50 0.35 -0.57 0.00 0.00 179.45 179.04 1x5c h PHE 109 N -0.77 0.88 0.33 -1.35 3.57 -1.22 -2.03 116.94 116.35 1x5c h PHE 109 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1x5c h PHE 109 Cb 0.55 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1x5c h PHE 109 CO -0.02 0.26 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.10 1x5c h LEU 110 N 0.73 -0.37 -1.05 0.59 3.38 -0.96 -1.97 115.31 115.66 1x5c h LEU 110 Ca 0.47 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.85 1x5c h LEU 110 Cb 0.60 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 1x5c h LEU 110 CO -0.33 -0.12 0.63 -0.62 0.09 0.00 0.00 178.44 178.10 1x5c n GLU 111 N -4.02 -0.04 -0.10 1.13 1.02 0.85 0.22 120.64 119.69 1x5c n GLU 111 Ca -0.05 1.15 -0.13 0.00 -0.02 0.00 0.00 57.16 58.11 1x5c n GLU 111 Cb 0.17 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.40 1x5c n GLU 111 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x5c h SER 112 N 0.00 0.69 0.00 1.62 0.02 -1.37 -3.48 113.55 111.03 1x5c h SER 112 Ca 0.76 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1x5c h SER 112 Cb 2.23 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1x5c h SER 112 CO -0.53 0.98 0.00 0.61 -1.14 0.00 0.00 176.83 176.74 1x5c n GLY 113 N 0.05 2.00 2.47 -3.77 0.00 0.59 -4.73 105.19 101.79 1x5c n GLY 113 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1x5c n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLY 114 N -0.16 0.08 3.68 -0.02 0.00 -0.76 -4.95 105.19 103.07 1x5c n GLY 114 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1x5c n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5c s GLN 115 N -5.23 4.21 -0.10 1.61 -0.21 -1.26 -4.93 119.66 113.74 1x5c s GLN 115 Ca 0.16 2.23 -0.04 0.00 0.02 0.00 0.00 55.36 57.73 1x5c s GLN 115 Cb -0.07 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1x5c s GLN 115 CO 0.39 -0.73 0.12 0.77 -2.12 0.00 0.00 175.29 173.73 1x5c h SER 116 N 8.52 -0.01 -2.03 5.90 0.02 -1.96 -3.49 113.55 120.50 1x5c h SER 116 Ca -0.41 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1x5c h SER 116 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1x5c h SER 116 CO 0.93 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 1x5c n GLY 117 N 1.72 4.85 3.77 -3.77 0.00 -1.26 -5.11 105.19 105.40 1x5c n GLY 117 Ca -0.02 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1x5c n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5c s PRO 118 N 0.56 3.92 -0.39 1.61 0.04 -1.26 -4.83 135.00 134.65 1x5c s PRO 118 Ca 0.00 1.84 -0.35 0.00 0.04 0.00 0.00 61.00 62.53 1x5c s PRO 118 Cb 0.00 -2.57 -0.15 0.00 0.04 0.00 0.00 34.50 31.82 1x5c s PRO 118 CO 0.00 -0.43 1.51 -1.13 0.04 0.00 0.00 177.00 176.99 1x5c n SER 119 N -0.15 0.70 -4.17 6.66 3.41 -1.26 -4.85 113.62 113.96 1x5c n SER 119 Ca 0.05 0.66 -0.40 0.00 -0.26 0.00 0.00 58.87 58.93 1x5c n SER 119 Cb 0.47 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1x5c n SER 119 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5c s SER 120 N 3.85 5.69 0.00 4.04 0.15 -1.26 -5.26 113.70 120.92 1x5c s SER 120 Ca 0.89 -2.73 0.00 0.00 0.70 0.00 0.00 55.95 54.81 1x5c s SER 120 Cb -1.16 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 1x5c s SER 120 CO 0.55 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.15