#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c n SER 2 N 0.00 1.93 -4.62 1.61 7.64 -1.26 -4.92 113.62 113.99 1x5c n SER 2 Ca 0.00 0.34 -0.60 0.00 1.01 0.00 0.00 58.87 59.61 1x5c n SER 2 Cb 0.00 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.25 1x5c n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5c n SER 3 N -4.22 1.77 0.00 6.43 7.64 -1.26 -4.37 113.62 119.61 1x5c n SER 3 Ca -0.43 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1x5c n SER 3 Cb 0.81 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5c n GLY 4 N 4.91 -0.08 2.39 0.23 0.00 -1.26 -5.05 105.19 106.32 1x5c n GLY 4 Ca 0.34 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1x5c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5c n SER 5 N 0.00 7.28 -4.68 1.61 7.64 -1.26 -4.99 113.62 119.22 1x5c n SER 5 Ca 0.00 -3.59 -0.48 0.00 1.01 0.00 0.00 58.87 55.82 1x5c n SER 5 Cb 0.00 -1.04 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 1x5c n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5c n SER 6 N -0.37 3.46 -1.42 6.43 2.88 -1.26 -4.64 113.62 118.70 1x5c n SER 6 Ca 0.53 0.98 0.17 0.00 -1.33 0.00 0.00 58.87 59.22 1x5c n SER 6 Cb 0.54 -1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 1x5c n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5c n GLY 7 N 4.30 -2.77 0.07 0.46 0.00 -1.26 -4.64 105.19 101.36 1x5c n GLY 7 Ca 0.22 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.41 0.08 -5.76 1.61 0.13 -1.88 -3.45 132.00 121.32 1x5c h PRO 8 Ca -0.13 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 64.31 1x5c h PRO 8 Cb 1.35 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.17 1x5c h PRO 8 CO 0.06 0.54 -0.87 0.54 -0.23 0.00 0.00 178.00 178.04 1x5c s VAL 9 N -4.27 1.89 0.53 1.56 0.11 -1.26 -2.80 120.40 116.17 1x5c s VAL 9 Ca -0.16 -0.97 -0.20 0.00 -2.93 0.00 0.00 61.98 57.72 1x5c s VAL 9 Cb 0.02 -1.61 -0.06 0.00 -1.53 0.00 0.00 36.38 33.20 1x5c s VAL 9 CO 0.69 0.53 1.15 -0.75 -3.33 0.00 0.00 175.10 173.39 1x5c s LYS 10 N -0.05 3.39 -0.37 1.54 2.20 -0.95 -4.82 119.74 120.68 1x5c s LYS 10 Ca -0.05 1.67 -0.03 0.00 -0.36 0.00 0.00 55.97 57.19 1x5c s LYS 10 Cb -0.14 -2.07 0.08 0.00 -1.51 0.00 0.00 37.83 34.19 1x5c s LYS 10 CO 0.04 -0.83 0.13 0.08 -0.36 0.00 0.00 175.35 174.41 1x5c s VAL 11 N -1.71 3.32 0.33 4.02 1.01 -1.26 0.06 120.40 126.16 1x5c s VAL 11 Ca 0.72 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1x5c s VAL 11 Cb -0.25 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1x5c s VAL 11 CO 0.29 -0.43 0.76 -0.76 0.00 0.00 0.00 175.10 174.96 1x5c s LEU 12 N 1.23 4.05 0.31 3.92 1.43 -0.22 -4.96 118.68 124.44 1x5c s LEU 12 Ca 0.02 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 1x5c s LEU 12 Cb -0.21 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 1x5c s LEU 12 CO -0.02 -0.22 0.02 0.68 0.23 0.00 0.00 176.35 177.05 1x5c s VAL 13 N -2.00 1.32 -2.00 -1.59 -7.23 -1.26 -4.52 120.40 103.12 1x5c s VAL 13 Ca 0.55 -2.03 0.12 0.00 -1.81 0.00 0.00 61.98 58.80 1x5c s VAL 13 Cb -0.10 -2.69 0.33 0.00 0.56 0.00 0.00 36.38 34.48 1x5c s VAL 13 CO 0.17 -0.10 1.12 0.61 -0.31 0.00 0.00 175.10 176.60 1x5c n GLY 14 N -0.66 -0.49 0.13 2.32 0.00 -1.26 0.52 105.19 105.75 1x5c n GLY 14 Ca -0.03 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 0.63 -1.20 1.61 4.81 -1.26 -4.64 118.16 117.25 1x5c n LYS 15 Ca 0.09 0.29 0.03 0.00 -0.87 0.00 0.00 58.31 57.85 1x5c n LYS 15 Cb 0.04 -1.59 0.11 0.00 0.02 0.00 0.00 35.03 33.61 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 -3.87 1.56 0.41 3.14 6.94 -1.12 -4.88 115.26 117.44 1x5c n ASN 16 Ca -0.44 -2.95 -0.16 0.00 -0.02 0.00 0.00 54.58 51.01 1x5c n ASN 16 Cb 0.91 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.83 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 1.15 -0.97 0.00 -2.53 3.57 -0.19 -2.51 116.94 115.47 1x5c h PHE 17 Ca -0.09 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1x5c h PHE 17 Cb 1.44 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 40.50 1x5c h PHE 17 CO 0.49 -0.60 -0.02 0.93 -2.23 0.00 0.00 178.31 176.89 1x5c h GLU 18 N -1.10 0.00 -0.05 1.11 3.07 -1.90 0.30 114.58 116.01 1x5c h GLU 18 Ca -0.11 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1x5c h GLU 18 Cb 0.80 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1x5c h GLU 18 CO 0.18 0.02 0.02 -0.44 -1.40 0.00 0.00 179.01 177.38 1x5c h ASP 19 N 0.00 0.07 0.52 1.42 3.32 -1.80 -1.43 116.42 118.52 1x5c h ASP 19 Ca -0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 57.03 56.59 1x5c h ASP 19 Cb 0.06 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1x5c h ASP 19 CO 0.00 0.22 -1.56 0.58 -1.72 0.00 0.00 179.24 176.77 1x5c h VAL 20 N -0.08 1.08 0.54 -1.35 2.07 -1.01 -3.39 116.25 114.10 1x5c h VAL 20 Ca 0.02 -2.81 -0.03 0.00 0.82 0.00 0.00 66.70 64.70 1x5c h VAL 20 Cb 0.18 2.63 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1x5c h VAL 20 CO -0.00 0.74 -0.26 0.00 0.02 0.00 0.00 177.57 178.07 1x5c h ALA 21 N 0.70 -1.13 -1.30 1.67 0.00 -0.45 -3.37 119.26 115.39 1x5c h ALA 21 Ca -0.24 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 53.91 1x5c h ALA 21 Cb 1.98 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.94 1x5c h ALA 21 CO 0.12 -1.07 1.26 -0.06 0.00 0.00 0.00 179.25 179.50 1x5c s PHE 22 N -4.46 2.56 0.01 0.00 0.08 -0.54 -4.61 117.98 111.02 1x5c s PHE 22 Ca -0.11 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.29 1x5c s PHE 22 Cb 0.01 -4.61 -0.02 0.00 -0.57 0.00 0.00 43.02 37.83 1x5c s PHE 22 CO 0.32 -1.90 -0.19 -0.51 -0.10 0.00 0.00 175.22 172.84 1x5c s ASP 23 N 4.46 2.26 0.25 1.36 1.01 -1.26 -4.79 116.67 119.97 1x5c s ASP 23 Ca 0.41 -0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.00 1x5c s ASP 23 Cb -0.03 -0.22 -0.09 0.00 1.01 0.00 0.00 42.92 43.59 1x5c s ASP 23 CO -0.03 0.18 0.84 -0.70 0.21 0.00 0.00 175.17 175.67 1x5c s GLU 24 N -0.81 4.51 -1.56 8.23 2.56 -1.26 -3.70 118.70 126.68 1x5c s GLU 24 Ca 0.07 1.17 -0.02 0.00 0.00 0.00 0.00 54.97 56.18 1x5c s GLU 24 Cb -0.08 -2.98 0.01 0.00 2.00 0.00 0.00 34.13 33.08 1x5c s GLU 24 CO 0.00 0.41 0.22 1.63 -0.56 0.00 0.00 175.26 176.96 1x5c n LYS 25 N 0.94 -2.89 -3.66 4.30 4.76 -1.11 -4.96 118.16 115.54 1x5c n LYS 25 Ca -0.02 0.87 -0.08 0.00 -2.87 0.00 0.00 58.31 56.21 1x5c n LYS 25 Cb 0.50 -5.59 -0.09 0.00 -1.84 0.00 0.00 35.03 28.00 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 -5.32 0.36 -0.74 1.97 2.47 -1.24 -4.75 119.74 112.48 1x5c s LYS 26 Ca 0.12 1.04 -0.19 0.00 -1.56 0.00 0.00 55.97 55.38 1x5c s LYS 26 Cb -0.06 0.33 0.12 0.00 -1.46 0.00 0.00 37.83 36.76 1x5c s LYS 26 CO 0.15 -0.23 0.92 -0.80 0.16 0.00 0.00 175.35 175.54 1x5c s ASN 27 N 2.48 6.38 -0.16 1.43 0.01 0.45 -3.72 114.94 121.82 1x5c s ASN 27 Ca -0.03 -1.64 -0.15 0.00 -0.71 0.00 0.00 52.86 50.32 1x5c s ASN 27 Cb -0.11 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1x5c s ASN 27 CO -0.13 -1.13 0.36 -0.69 -1.51 0.00 0.00 177.10 173.99 1x5c s VAL 28 N 2.80 5.26 -0.43 1.60 1.01 -0.76 -1.30 120.40 128.57 1x5c s VAL 28 Ca 0.22 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 1x5c s VAL 28 Cb -0.15 -3.69 0.11 0.00 0.00 0.00 0.00 36.38 32.65 1x5c s VAL 28 CO 0.01 0.34 0.24 0.12 0.00 0.00 0.00 175.10 175.81 1x5c s PHE 29 N 0.69 3.55 0.62 5.22 5.36 -0.80 -0.71 117.98 131.92 1x5c s PHE 29 Ca 0.19 -2.33 -0.09 0.00 -0.96 0.00 0.00 56.93 53.74 1x5c s PHE 29 Cb -0.14 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.25 1x5c s PHE 29 CO 0.06 -0.97 0.98 0.08 -1.46 0.00 0.00 175.22 173.91 1x5c s VAL 30 N 1.12 4.04 -0.23 3.12 1.01 -0.96 -1.83 120.40 126.67 1x5c s VAL 30 Ca 0.08 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1x5c s VAL 30 Cb -0.23 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1x5c s VAL 30 CO -0.04 -0.74 0.16 -0.70 0.00 0.00 0.00 175.10 173.78 1x5c s GLU 31 N -5.12 0.17 -0.76 2.72 2.12 -0.80 -2.70 118.70 114.33 1x5c s GLU 31 Ca 0.55 -0.18 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 1x5c s GLU 31 Cb -0.11 -1.32 0.04 0.00 0.26 0.00 0.00 34.13 33.00 1x5c s GLU 31 CO 0.49 -0.83 1.24 -0.06 -0.54 0.00 0.00 175.26 175.56 1x5c s PHE 32 N 2.19 2.38 0.49 5.30 0.08 0.28 -2.23 117.98 126.46 1x5c s PHE 32 Ca 0.06 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.96 1x5c s PHE 32 Cb -0.16 -4.57 0.02 0.00 -0.57 0.00 0.00 43.02 37.74 1x5c s PHE 32 CO -0.22 -1.99 0.47 1.52 -0.10 0.00 0.00 175.22 174.90 1x5c s TYR 33 N 5.34 2.11 -0.03 0.36 -0.85 -1.10 -1.01 117.35 122.17 1x5c s TYR 33 Ca 0.34 -0.65 0.04 0.00 -0.52 0.00 0.00 57.07 56.28 1x5c s TYR 33 Cb -0.09 -2.10 -0.00 0.00 0.38 0.00 0.00 41.96 40.15 1x5c s TYR 33 CO 0.12 -0.44 -0.14 0.00 -1.52 0.00 0.00 175.55 173.57 1x5c s ALA 34 N -2.60 1.25 -1.77 9.51 0.00 -1.26 -3.21 121.76 123.68 1x5c s ALA 34 Ca 0.46 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 52.01 1x5c s ALA 34 Cb -0.04 -0.40 0.85 0.00 0.00 0.00 0.00 23.12 23.54 1x5c s ALA 34 CO 0.28 0.24 1.37 -0.35 0.00 0.00 0.00 175.76 177.30 1x5c n PRO 35 N 3.09 0.37 0.00 0.00 -0.04 -1.26 -3.39 135.00 133.77 1x5c n PRO 35 Ca -0.17 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 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 -1.12 0.00 -1.59 0.54 4.27 -1.26 -5.04 117.44 113.24 1x5c n TRP 36 Ca 0.10 0.00 -0.54 0.00 -3.89 0.00 0.00 57.50 53.17 1x5c n TRP 36 Cb 0.08 0.02 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 4.62 -0.26 -1.55 0.00 0.00 -1.93 -2.27 103.07 101.68 1x5c h GLY 38 Ca -0.48 0.10 0.50 0.00 0.00 0.00 0.00 47.33 47.45 1x5c h GLY 38 CO 0.78 -0.10 1.05 1.42 0.00 0.00 0.00 176.54 179.69 1x5c n HIS 39 N -2.77 0.44 -0.05 5.60 8.25 -1.26 0.15 115.22 125.58 1x5c n HIS 39 Ca -0.03 0.45 -0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1x5c n HIS 39 Cb 0.10 -0.90 -0.07 0.00 1.12 0.00 0.00 29.99 30.24 1x5c n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5c h LYS 41 N -0.02 0.00 0.00 0.00 1.57 0.21 0.98 116.57 119.30 1x5c h LYS 41 Ca 0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1x5c h LYS 41 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1x5c h LYS 41 CO 0.04 0.00 -0.89 1.96 -0.57 0.00 0.00 179.45 179.99 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.34 -3.30 115.11 114.71 1x5c h GLN 42 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1x5c h GLN 42 Cb 1.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.85 1x5c h GLN 42 CO -0.00 0.15 -0.18 1.25 -0.95 0.00 0.00 178.83 179.10 1x5c h LEU 43 N 0.00 0.00 -0.23 1.46 5.85 0.11 -3.33 115.31 119.17 1x5c h LEU 43 Ca -0.05 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1x5c h LEU 43 Cb 1.21 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 1x5c h LEU 43 CO 0.02 0.01 -0.28 0.00 -0.34 0.00 0.00 178.44 177.85 1x5c h ALA 44 N 2.27 -0.22 0.06 1.25 0.00 -1.40 0.45 119.26 121.66 1x5c h ALA 44 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x5c h ALA 44 Cb 0.87 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1x5c h ALA 44 CO 0.00 -0.72 -0.03 -1.00 0.00 0.00 0.00 179.25 177.50 1x5c h PRO 45 N -0.30 -0.07 -0.94 0.00 0.13 -1.80 -2.22 132.00 126.79 1x5c h PRO 45 Ca 0.13 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.37 1x5c h PRO 45 Cb 0.50 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.57 1x5c h PRO 45 CO -0.40 0.38 0.58 0.82 -0.23 0.00 0.00 178.00 179.15 1x5c h ILE 46 N -0.56 0.93 -0.21 -3.56 2.04 -1.63 0.14 117.51 114.66 1x5c h ILE 46 Ca -0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1x5c h ILE 46 Cb 0.49 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1x5c h ILE 46 CO 0.01 0.17 -0.41 -0.25 0.00 0.00 0.00 178.15 177.68 1x5c h TRP 47 N 0.94 0.57 -0.01 1.37 2.91 -0.12 -2.37 115.95 119.24 1x5c h TRP 47 Ca 0.46 -0.16 -0.14 0.00 1.13 0.00 0.00 58.89 60.18 1x5c h TRP 47 Cb 0.42 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 1x5c h TRP 47 CO -0.02 0.81 -0.64 0.22 -1.03 0.00 0.00 178.44 177.78 1x5c h ASP 48 N 0.40 0.06 1.04 2.65 1.82 -0.50 -1.09 116.42 120.80 1x5c h ASP 48 Ca 0.03 -0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 1x5c h ASP 48 Cb 0.88 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1x5c h ASP 48 CO 0.07 0.69 -0.52 0.11 -1.61 0.00 0.00 179.24 177.98 1x5c h LYS 49 N 0.04 0.00 0.06 0.28 1.57 -0.61 -3.09 116.57 114.82 1x5c h LYS 49 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1x5c h LYS 49 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1x5c h LYS 49 CO 0.09 0.52 -1.59 1.25 -0.57 0.00 0.00 179.45 179.15 1x5c h LEU 50 N 0.00 0.20 -0.83 2.94 5.85 -1.29 -3.33 115.31 118.86 1x5c h LEU 50 Ca -0.01 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1x5c h LEU 50 Cb 1.18 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1x5c h LEU 50 CO 0.07 1.29 0.36 1.23 -0.34 0.00 0.00 178.44 181.04 1x5c h GLY 51 N 2.42 1.30 2.00 3.75 0.00 -1.21 -2.29 103.07 109.03 1x5c h GLY 51 Ca -0.25 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.34 1x5c h GLY 51 CO 0.12 0.65 -0.26 1.05 0.00 0.00 0.00 176.54 178.10 1x5c h GLU 52 N 1.19 0.00 -0.21 4.80 4.11 -1.44 -0.51 114.58 122.53 1x5c h GLU 52 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.62 1x5c h GLU 52 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x5c h GLU 52 CO -0.03 0.26 -0.27 1.15 0.07 0.00 0.00 179.01 180.19 1x5c h THR 53 N 0.00 1.26 -0.25 -1.06 2.02 -1.52 -3.10 112.91 110.27 1x5c h THR 53 Ca -0.00 -1.25 -0.18 0.00 0.77 0.00 0.00 66.41 65.75 1x5c h THR 53 Cb 0.52 1.40 -0.13 0.00 -1.74 0.00 0.00 68.15 68.19 1x5c h THR 53 CO 0.03 0.39 -0.54 -1.22 0.37 0.00 0.00 175.52 174.55 1x5c n TYR 54 N -4.12 0.90 0.08 3.16 4.02 -0.97 -4.69 117.16 115.54 1x5c n TYR 54 Ca -0.01 -1.73 -0.08 0.00 -0.01 0.00 0.00 57.90 56.07 1x5c n TYR 54 Cb 0.40 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 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 1.35 0.10 -0.22 -0.72 2.10 -1.02 -3.28 116.57 114.89 1x5c h LYS 55 Ca 0.13 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 1x5c h LYS 55 Cb 1.20 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1x5c h LYS 55 CO 0.26 0.98 -0.06 -0.40 -2.00 0.00 0.00 179.45 178.23 1x5c n ASP 56 N -3.53 2.96 -3.17 7.07 5.75 -1.26 -4.66 116.55 119.71 1x5c n ASP 56 Ca -0.03 -3.34 -0.19 0.00 -0.01 0.00 0.00 54.79 51.22 1x5c n ASP 56 Cb 0.88 -0.55 0.17 0.00 -1.03 0.00 0.00 41.12 40.59 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1x5c n HIS 57 N -0.94 -3.45 -0.12 2.11 -0.00 -1.23 -5.03 115.22 106.55 1x5c n HIS 57 Ca 0.24 -0.60 -0.24 0.00 0.46 0.00 0.00 57.72 57.57 1x5c n HIS 57 Cb 0.87 -0.75 -0.09 0.00 -0.12 0.00 0.00 29.99 29.90 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 -3.90 0.52 -0.02 1.57 0.28 -1.26 -4.82 120.64 113.02 1x5c n GLU 58 Ca 0.09 0.21 -0.02 0.00 -0.16 0.00 0.00 57.16 57.29 1x5c n GLU 58 Cb 0.38 -1.37 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 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 -3.95 4.19 -4.59 -1.84 0.23 -1.26 -4.93 115.26 103.10 1x5c n ASN 59 Ca -0.46 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.16 1x5c n ASN 59 Cb 0.85 0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 39.12 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 -2.08 4.28 -0.25 1.53 1.01 -1.26 0.17 121.20 124.59 1x5c s ILE 60 Ca -0.02 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.71 1x5c s ILE 60 Cb 0.01 -4.56 0.07 0.00 0.01 0.00 0.00 42.46 37.99 1x5c s ILE 60 CO 0.13 -0.98 -0.03 -0.69 0.00 0.00 0.00 174.94 173.38 1x5c s VAL 61 N 4.27 1.56 0.34 2.92 1.01 -0.42 -4.31 120.40 125.77 1x5c s VAL 61 Ca 0.45 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1x5c s VAL 61 Cb -0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1x5c s VAL 61 CO 0.30 -0.21 1.04 -0.63 0.00 0.00 0.00 175.10 175.60 1x5c s ILE 62 N 1.36 3.75 0.05 2.22 -1.09 -1.26 -1.89 121.20 124.33 1x5c s ILE 62 Ca -0.03 1.52 -0.15 0.00 -2.23 0.00 0.00 60.65 59.76 1x5c s ILE 62 Cb -0.19 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1x5c s ILE 62 CO -0.08 0.18 0.35 0.00 -1.23 0.00 0.00 174.94 174.16 1x5c s ALA 63 N -1.45 -0.81 0.03 9.38 0.00 -0.76 -2.23 121.76 125.92 1x5c s ALA 63 Ca 0.51 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1x5c s ALA 63 Cb -0.25 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1x5c s ALA 63 CO 0.32 -0.45 -0.13 -1.59 0.00 0.00 0.00 175.76 173.91 1x5c s LYS 64 N -2.68 0.88 -0.04 0.00 -2.85 0.11 -1.90 119.74 113.26 1x5c s LYS 64 Ca -0.04 -0.67 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 1x5c s LYS 64 Cb -0.00 -0.86 0.02 0.00 -2.06 0.00 0.00 37.83 34.92 1x5c s LYS 64 CO -0.04 0.22 0.09 1.41 0.10 0.00 0.00 175.35 177.13 1x5c s MET 65 N -0.98 0.08 -0.76 1.78 1.75 -0.95 -1.06 119.30 119.16 1x5c s MET 65 Ca 0.01 0.19 -0.22 0.00 -1.25 0.00 0.00 55.69 54.42 1x5c s MET 65 Cb -0.07 -0.05 0.08 0.00 2.84 0.00 0.00 34.83 37.63 1x5c s MET 65 CO 0.01 -0.07 1.08 0.34 -0.65 0.00 0.00 175.02 175.72 1x5c s ASP 66 N 0.46 6.31 0.57 1.11 -1.08 -1.26 -2.72 116.67 120.06 1x5c s ASP 66 Ca -0.03 -1.24 0.26 0.00 -0.52 0.00 0.00 52.55 51.02 1x5c s ASP 66 Cb -0.05 -2.44 1.60 0.00 -1.46 0.00 0.00 42.92 40.57 1x5c s ASP 66 CO -0.02 -1.39 2.13 -1.28 0.52 0.00 0.00 175.17 175.13 1x5c h SER 67 N 9.45 0.00 1.69 -0.34 0.87 -1.69 1.03 113.55 124.56 1x5c h SER 67 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1x5c h SER 67 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1x5c h SER 67 CO 1.19 0.00 0.00 0.71 -0.53 0.00 0.00 176.83 178.20 1x5c h THR 68 N 0.00 0.00 0.00 2.23 1.35 -1.90 -3.26 112.91 111.33 1x5c h THR 68 Ca 0.07 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1x5c h THR 68 Cb 0.34 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1x5c h THR 68 CO -0.00 0.00 -1.10 0.00 -0.25 0.00 0.00 175.52 174.17 1x5c n ALA 69 N -1.96 2.69 -3.75 6.62 0.00 0.72 -4.98 120.51 119.86 1x5c n ALA 69 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1x5c n ALA 69 Cb 0.47 -0.35 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.71 0.11 -0.05 0.00 0.01 0.32 -4.91 114.94 107.72 1x5c s ASN 70 Ca -0.01 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 1x5c s ASN 70 Cb 0.07 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.62 1x5c s ASN 70 CO 0.41 -0.12 -0.22 -0.70 -1.51 0.00 0.00 177.10 174.96 1x5c s GLU 71 N 1.05 2.46 -0.02 -0.60 2.12 -1.26 -4.07 118.70 118.38 1x5c s GLU 71 Ca -0.09 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.38 1x5c s GLU 71 Cb -0.13 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 32.05 1x5c s GLU 71 CO -0.03 0.49 0.05 0.14 -0.54 0.00 0.00 175.26 175.37 1x5c s VAL 72 N -0.41 -0.00 0.17 3.70 -7.23 -1.26 -4.90 120.40 110.46 1x5c s VAL 72 Ca 0.04 0.00 0.15 0.00 -1.81 0.00 0.00 61.98 60.37 1x5c s VAL 72 Cb -0.12 -0.08 0.06 0.00 0.56 0.00 0.00 36.38 36.80 1x5c s VAL 72 CO 0.02 0.00 1.65 1.05 -0.31 0.00 0.00 175.10 177.50 1x5c h GLU 73 N 6.07 0.00 0.00 4.82 4.11 -2.01 -2.90 114.58 124.68 1x5c h GLU 73 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1x5c h GLU 73 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x5c h GLU 73 CO 0.48 0.49 0.00 0.00 0.07 0.00 0.00 179.01 180.04 1x5c n ALA 74 N -2.33 1.20 -3.43 1.06 0.00 -1.26 -4.38 120.51 111.37 1x5c n ALA 74 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1x5c n ALA 74 Cb 0.58 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.31 -0.79 -0.40 0.00 1.01 -1.09 -5.01 120.40 110.80 1x5c s VAL 75 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1x5c s VAL 75 Cb 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1x5c s VAL 75 CO 0.19 -0.02 0.28 -0.54 0.00 0.00 0.00 175.10 175.01 1x5c s LYS 76 N 2.71 2.97 -0.24 2.72 -0.14 -1.26 -4.39 119.74 122.11 1x5c s LYS 76 Ca 0.08 -1.02 -0.07 0.00 -1.36 0.00 0.00 55.97 53.60 1x5c s LYS 76 Cb -0.14 -3.94 -0.03 0.00 -1.68 0.00 0.00 37.83 32.05 1x5c s LYS 76 CO -0.17 -0.73 0.06 0.08 -0.76 0.00 0.00 175.35 173.82 1x5c s VAL 77 N 1.66 4.25 -0.23 3.17 1.01 -1.26 -4.96 120.40 124.04 1x5c s VAL 77 Ca 0.05 -0.20 0.12 0.00 0.00 0.00 0.00 61.98 61.95 1x5c s VAL 77 Cb -0.19 -2.97 0.44 0.00 0.00 0.00 0.00 36.38 33.66 1x5c s VAL 77 CO 0.10 0.36 1.32 1.41 0.00 0.00 0.00 175.10 178.29 1x5c n HIS 78 N 4.74 0.48 -3.67 5.22 -0.00 -1.26 -5.03 115.22 115.70 1x5c n HIS 78 Ca -0.16 -1.42 -0.00 0.00 -0.00 0.00 0.00 57.72 56.13 1x5c n HIS 78 Cb 0.51 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.99 30.16 1x5c n HIS 78 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1x5c s SER 79 N -2.82 -0.10 -0.05 0.41 0.15 -1.26 -5.19 113.70 104.85 1x5c s SER 79 Ca 0.40 -0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 1x5c s SER 79 Cb 0.37 0.28 0.08 0.00 -1.71 0.00 0.00 66.02 65.04 1x5c s SER 79 CO -0.02 -0.51 0.75 -0.36 1.20 0.00 0.00 173.24 174.30 1x5c s PHE 80 N -2.71 -0.57 0.46 3.44 0.08 -1.26 -4.16 117.98 113.27 1x5c s PHE 80 Ca 0.14 0.88 -0.23 0.00 0.12 0.00 0.00 56.93 57.84 1x5c s PHE 80 Cb 0.03 0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 42.85 1x5c s PHE 80 CO -0.02 -0.58 1.17 -1.25 -0.10 0.00 0.00 175.22 174.44 1x5c s PRO 81 N -1.58 3.77 -0.13 0.24 0.04 -1.26 -4.77 135.00 131.31 1x5c s PRO 81 Ca -0.07 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1x5c s PRO 81 Cb -0.00 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1x5c s PRO 81 CO 0.04 -0.54 -0.15 0.99 0.04 0.00 0.00 177.00 177.39 1x5c s THR 82 N -1.54 1.52 -0.07 1.26 2.01 -0.18 -5.03 115.64 113.61 1x5c s THR 82 Ca 0.63 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1x5c s THR 82 Cb -0.29 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1x5c s THR 82 CO 0.35 0.45 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.85 1x5c s LEU 83 N 1.21 2.84 -0.05 4.42 1.43 -1.26 0.98 118.68 128.25 1x5c s LEU 83 Ca -0.02 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1x5c s LEU 83 Cb -0.14 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1x5c s LEU 83 CO -0.05 0.31 0.01 -0.54 0.23 0.00 0.00 176.35 176.30 1x5c s LYS 84 N -0.50 0.38 -0.15 1.70 1.02 -1.10 -3.10 119.74 117.99 1x5c s LYS 84 Ca 0.07 0.15 -0.17 0.00 0.02 0.00 0.00 55.97 56.03 1x5c s LYS 84 Cb -0.12 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1x5c s LYS 84 CO 0.02 -0.24 0.45 0.12 -0.92 0.00 0.00 175.35 174.78 1x5c s PHE 85 N 1.66 3.46 -0.29 3.18 5.36 0.47 -2.27 117.98 129.55 1x5c s PHE 85 Ca -0.01 0.80 -0.06 0.00 -0.96 0.00 0.00 56.93 56.70 1x5c s PHE 85 Cb -0.13 -2.55 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 1x5c s PHE 85 CO -0.03 0.10 0.07 -0.06 -1.46 0.00 0.00 175.22 173.84 1x5c s PHE 86 N 0.89 3.15 1.00 10.12 0.08 0.11 0.32 117.98 133.65 1x5c s PHE 86 Ca 0.24 -1.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.08 1x5c s PHE 86 Cb -0.15 -2.24 0.19 0.00 -0.57 0.00 0.00 43.02 40.25 1x5c s PHE 86 CO 0.09 -0.61 1.09 -1.25 -0.10 0.00 0.00 175.22 174.45 1x5c s PRO 87 N 1.47 0.40 -0.11 0.24 0.04 -1.26 -1.82 135.00 133.96 1x5c s PRO 87 Ca 0.02 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.57 1x5c s PRO 87 Cb -0.17 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.69 1x5c s PRO 87 CO 0.02 -2.75 2.07 0.00 0.04 0.00 0.00 177.00 176.38 1x5c n ALA 88 N -4.19 4.46 -2.12 8.56 0.00 -1.24 -4.65 120.51 121.33 1x5c n ALA 88 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1x5c n ALA 88 Cb 0.57 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.85 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x5c s SER 89 N 1.40 6.20 -0.12 0.00 1.04 -1.26 -2.76 113.70 118.20 1x5c s SER 89 Ca 0.13 1.08 0.04 0.00 0.48 0.00 0.00 55.95 57.68 1x5c s SER 89 Cb 0.09 -2.28 0.29 0.00 0.10 0.00 0.00 66.02 64.21 1x5c s SER 89 CO -0.00 -0.72 1.12 0.00 0.98 0.00 0.00 173.24 174.62 1x5c n ALA 90 N -2.46 3.28 -3.88 5.32 0.00 -1.26 -4.21 120.51 117.30 1x5c n ALA 90 Ca 0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.45 1x5c n ALA 90 Cb 0.55 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1x5c n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x5c n ASP 91 N 0.10 0.10 -2.62 0.00 9.92 -1.26 -5.05 116.55 117.73 1x5c n ASP 91 Ca 0.15 -2.34 -0.31 0.00 -0.53 0.00 0.00 54.79 51.76 1x5c n ASP 91 Cb 0.74 0.89 -0.02 0.00 -0.64 0.00 0.00 41.12 42.09 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1x5c n ARG 92 N -0.45 2.51 -2.69 -1.24 1.85 -1.26 -4.82 116.66 110.55 1x5c n ARG 92 Ca 0.02 -2.73 -0.38 0.00 -1.00 0.00 0.00 57.85 53.76 1x5c n ARG 92 Cb 0.37 -2.18 -0.06 0.00 -1.05 0.00 0.00 32.46 29.55 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1x5c s THR 93 N -3.20 4.00 -0.02 8.89 2.01 -1.26 -5.06 115.64 121.00 1x5c s THR 93 Ca 0.56 1.75 0.02 0.00 0.31 0.00 0.00 61.69 64.33 1x5c s THR 93 Cb 0.40 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1x5c s THR 93 CO -0.28 0.22 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.12 1x5c s VAL 94 N -1.47 0.54 -0.14 3.82 1.01 -1.26 -4.39 120.40 118.52 1x5c s VAL 94 Ca 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1x5c s VAL 94 Cb -0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1x5c s VAL 94 CO 0.28 0.18 -0.07 -0.63 0.00 0.00 0.00 175.10 174.86 1x5c s ILE 95 N 0.15 3.58 0.09 2.22 1.01 0.15 -4.96 121.20 123.43 1x5c s ILE 95 Ca -0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1x5c s ILE 95 Cb -0.06 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 1x5c s ILE 95 CO -0.00 0.52 1.06 -1.81 0.00 0.00 0.00 174.94 174.71 1x5c s ASP 96 N 0.22 7.30 -0.41 3.58 1.11 -1.26 -0.40 116.67 126.81 1x5c s ASP 96 Ca -0.05 1.89 -0.16 0.00 0.18 0.00 0.00 52.55 54.42 1x5c s ASP 96 Cb -0.14 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.28 1x5c s ASP 96 CO 0.04 -0.26 0.36 -0.47 1.18 0.00 0.00 175.17 176.02 1x5c s TYR 97 N 0.46 3.21 -0.57 4.23 6.14 -1.18 -4.78 117.35 124.86 1x5c s TYR 97 Ca 0.52 -0.45 0.06 0.00 0.64 0.00 0.00 57.07 57.84 1x5c s TYR 97 Cb -0.26 -2.73 0.24 0.00 0.42 0.00 0.00 41.96 39.63 1x5c s TYR 97 CO 0.31 -0.62 0.64 0.09 0.64 0.00 0.00 175.55 176.60 1x5c n ASN 98 N 5.37 2.50 0.00 4.32 4.13 -1.26 -4.78 115.26 125.53 1x5c n ASN 98 Ca -0.09 -3.16 0.00 0.00 1.68 0.00 0.00 54.58 53.00 1x5c n ASN 98 Cb 0.47 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x5c n GLY 99 N 1.20 5.28 0.17 7.41 0.00 -1.26 -5.01 105.19 112.98 1x5c n GLY 99 Ca 0.27 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.38 1.61 4.11 -1.97 -3.47 114.58 110.48 1x5c h GLU 100 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1x5c h GLU 100 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 1x5c h GLU 100 CO 0.00 0.45 -0.49 -2.13 0.07 0.00 0.00 179.01 176.91 1x5c n ARG 101 N -3.76 -5.11 -4.41 1.06 0.63 -1.26 -5.03 116.66 98.77 1x5c n ARG 101 Ca -0.01 0.57 -0.25 0.00 -0.92 0.00 0.00 57.85 57.24 1x5c n ARG 101 Cb 0.51 -4.81 -0.11 0.00 0.45 0.00 0.00 32.46 28.50 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5c s THR 102 N -3.23 2.27 0.25 5.15 -4.23 -1.26 -4.97 115.64 109.62 1x5c s THR 102 Ca 0.25 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 58.61 1x5c s THR 102 Cb -0.11 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 71.92 1x5c s THR 102 CO 0.50 -0.23 1.63 0.25 -0.54 0.00 0.00 174.62 176.23 1x5c h LEU 103 N 2.99 -0.35 -0.13 4.79 5.85 -1.96 0.42 115.31 126.93 1x5c h LEU 103 Ca -0.44 0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.25 1x5c h LEU 103 Cb 1.22 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1x5c h LEU 103 CO 0.51 -0.19 -0.99 0.44 -0.34 0.00 0.00 178.44 177.87 1x5c h ASP 104 N 0.10 0.48 -0.33 1.25 5.19 -1.96 -3.25 116.42 117.90 1x5c h ASP 104 Ca 0.44 -0.41 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1x5c h ASP 104 Cb 0.79 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1x5c h ASP 104 CO -0.69 1.22 0.08 1.23 -3.12 0.00 0.00 179.24 177.96 1x5c h GLY 105 N 1.37 0.66 0.92 2.75 0.00 -1.11 -2.88 103.07 104.77 1x5c h GLY 105 Ca -0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1x5c h GLY 105 CO 0.17 0.34 0.12 0.74 0.00 0.00 0.00 176.54 177.90 1x5c h PHE 106 N 0.60 0.40 -1.00 5.60 0.04 -0.35 -2.69 116.94 119.54 1x5c h PHE 106 Ca 0.14 -0.03 0.20 0.00 2.80 0.00 0.00 57.97 61.08 1x5c h PHE 106 Cb 0.25 -0.12 -0.10 0.00 2.20 0.00 0.00 35.95 38.17 1x5c h PHE 106 CO 0.01 0.40 0.61 0.87 -0.60 0.00 0.00 178.31 179.60 1x5c h LYS 107 N 0.29 0.70 -0.18 1.51 1.57 -1.57 0.19 116.57 119.09 1x5c h LYS 107 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1x5c h LYS 107 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1x5c h LYS 107 CO -0.01 0.46 0.09 0.87 -0.57 0.00 0.00 179.45 180.29 1x5c h LYS 108 N 0.72 0.25 -0.45 3.15 1.57 -1.45 0.45 116.57 120.81 1x5c h LYS 108 Ca 0.58 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1x5c h LYS 108 Cb 0.96 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1x5c h LYS 108 CO -0.37 0.27 0.21 0.35 -0.57 0.00 0.00 179.45 179.34 1x5c h PHE 109 N 0.17 0.66 0.38 -1.35 3.04 -0.97 -2.53 116.94 116.34 1x5c h PHE 109 Ca 0.06 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1x5c h PHE 109 Cb 0.10 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1x5c h PHE 109 CO -0.03 0.54 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.54 1x5c h LEU 110 N 0.59 -0.44 -1.15 0.59 3.38 -0.88 -1.66 115.31 115.74 1x5c h LEU 110 Ca 0.16 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.57 1x5c h LEU 110 Cb 0.13 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.85 1x5c h LEU 110 CO -0.02 -0.17 0.69 -0.62 0.09 0.00 0.00 178.44 178.41 1x5c n GLU 111 N -4.16 -0.04 -0.08 1.13 1.02 0.16 0.20 120.64 118.86 1x5c n GLU 111 Ca -0.06 1.25 -0.14 0.00 -0.02 0.00 0.00 57.16 58.18 1x5c n GLU 111 Cb 0.20 -2.36 -0.05 0.00 -0.02 0.00 0.00 31.44 29.22 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 0.84 0.00 1.62 0.02 -1.43 -3.48 113.55 111.13 1x5c h SER 112 Ca 0.82 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1x5c h SER 112 Cb 2.44 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.74 1x5c h SER 112 CO -0.58 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 1x5c n GLY 113 N 0.29 1.52 3.91 -3.77 0.00 0.53 -4.64 105.19 103.02 1x5c n GLY 113 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.24 -0.42 0.12 -0.02 0.00 -0.66 -4.88 105.19 99.09 1x5c n GLY 114 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1x5c n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1x5c h GLN 115 N -1.96 0.29 -7.33 1.61 3.07 -1.82 -3.47 115.11 105.50 1x5c h GLN 115 Ca -0.59 -0.50 -0.48 0.00 0.09 0.00 0.00 58.65 57.16 1x5c h GLN 115 Cb 1.37 0.19 0.15 0.00 0.08 0.00 0.00 27.48 29.27 1x5c h GLN 115 CO 0.66 1.17 0.24 -1.54 0.09 0.00 0.00 178.83 179.44 1x5c s SER 116 N -7.07 3.29 0.00 0.06 1.04 -1.26 -4.84 113.70 104.92 1x5c s SER 116 Ca -0.11 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1x5c s SER 116 Cb 0.06 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1x5c s SER 116 CO 0.86 -2.75 0.00 0.61 0.98 0.00 0.00 173.24 172.93 1x5c n GLY 117 N -1.02 2.71 0.05 7.32 0.00 -1.26 -4.81 105.19 108.19 1x5c n GLY 117 Ca 0.07 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.47 1x5c n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5c n PRO 118 N 0.80 0.08 -0.11 1.61 -0.04 -1.26 -3.56 135.00 132.51 1x5c n PRO 118 Ca 0.00 0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 63.71 1x5c n PRO 118 Cb 0.00 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 31.80 1x5c n PRO 118 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x5c h SER 119 N 0.00 -1.00 -3.69 3.54 0.02 -1.90 -3.40 113.55 107.12 1x5c h SER 119 Ca 0.00 0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 60.63 1x5c h SER 119 Cb 0.29 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1x5c h SER 119 CO 0.00 -0.31 0.16 -0.94 -1.14 0.00 0.00 176.83 174.60 1x5c s SER 120 N -5.07 7.02 0.00 3.07 1.04 -1.23 -5.12 113.70 113.41 1x5c s SER 120 Ca -0.15 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1x5c s SER 120 Cb 0.14 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1x5c s SER 120 CO 0.68 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.44