#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 6.45 -0.38 1.61 1.04 -1.26 -4.95 113.70 116.21 1x5c s SER 2 Ca 0.00 1.53 -0.29 0.00 0.48 0.00 0.00 55.95 57.67 1x5c s SER 2 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1x5c s SER 2 CO 0.00 -1.21 1.45 -0.94 0.98 0.00 0.00 173.24 173.52 1x5c s SER 3 N 3.89 6.32 0.00 7.02 1.04 -1.26 -4.81 113.70 125.90 1x5c s SER 3 Ca 0.68 0.95 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1x5c s SER 3 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1x5c s SER 3 CO 0.28 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1x5c n GLY 4 N 5.03 1.17 3.40 7.32 0.00 -1.26 -5.17 105.19 115.68 1x5c n GLY 4 Ca 0.17 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 1x5c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5c s SER 5 N 0.00 -0.73 -0.99 1.61 0.01 -1.26 -5.10 113.70 107.24 1x5c s SER 5 Ca 0.00 1.19 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 1x5c s SER 5 Cb 0.00 1.85 0.22 0.00 0.21 0.00 0.00 66.02 68.30 1x5c s SER 5 CO 0.00 -0.23 1.02 -0.55 0.41 0.00 0.00 173.24 173.88 1x5c s SER 6 N 2.76 6.98 0.61 2.44 0.15 -1.26 -5.00 113.70 120.38 1x5c s SER 6 Ca -0.00 -2.96 0.00 0.00 0.70 0.00 0.00 55.95 53.69 1x5c s SER 6 Cb -0.13 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x5c s SER 6 CO -0.17 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x5c n GLY 7 N 3.75 -0.47 0.09 9.45 0.00 -1.26 -4.21 105.19 112.54 1x5c n GLY 7 Ca 0.22 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.14 -5.74 1.61 0.13 -1.90 -3.44 132.00 122.80 1x5c h PRO 8 Ca 0.00 -0.07 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1x5c h PRO 8 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 1x5c h PRO 8 CO 0.00 0.59 -0.88 0.54 -0.23 0.00 0.00 178.00 178.02 1x5c s VAL 9 N -4.28 1.97 0.57 1.56 0.11 -1.26 -3.02 120.40 116.05 1x5c s VAL 9 Ca -0.15 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.70 1x5c s VAL 9 Cb 0.03 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1x5c s VAL 9 CO 0.71 0.55 1.21 -0.54 -3.33 0.00 0.00 175.10 173.69 1x5c s LYS 10 N 0.00 3.13 -0.45 1.54 1.02 -0.96 -4.80 119.74 119.22 1x5c s LYS 10 Ca -0.08 1.83 -0.04 0.00 0.02 0.00 0.00 55.97 57.70 1x5c s LYS 10 Cb -0.15 -2.03 0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1x5c s LYS 10 CO 0.05 -1.08 0.27 0.08 -0.92 0.00 0.00 175.35 173.74 1x5c s VAL 11 N -1.58 3.54 0.46 3.17 1.01 -1.26 0.01 120.40 125.75 1x5c s VAL 11 Ca 0.75 -2.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 1x5c s VAL 11 Cb -0.30 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1x5c s VAL 11 CO 0.34 -0.73 1.00 -0.76 0.00 0.00 0.00 175.10 174.94 1x5c s LEU 12 N 1.04 3.89 0.20 3.92 1.43 0.01 -4.96 118.68 124.20 1x5c s LEU 12 Ca 0.09 1.81 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 1x5c s LEU 12 Cb -0.23 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.39 1x5c s LEU 12 CO -0.03 -0.58 -0.13 0.68 0.23 0.00 0.00 176.35 176.51 1x5c s VAL 13 N -2.08 1.62 -1.56 -1.59 -7.23 -1.26 -4.53 120.40 103.77 1x5c s VAL 13 Ca 0.65 -2.18 0.11 0.00 -1.81 0.00 0.00 61.98 58.74 1x5c s VAL 13 Cb -0.13 -2.03 0.21 0.00 0.56 0.00 0.00 36.38 34.99 1x5c s VAL 13 CO 0.17 -0.61 1.19 0.61 -0.31 0.00 0.00 175.10 176.16 1x5c n GLY 14 N -0.36 -0.56 0.12 2.32 0.00 -1.26 0.16 105.19 105.60 1x5c n GLY 14 Ca -0.08 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.22 0.62 -0.66 1.61 4.81 -1.26 -4.55 118.16 117.51 1x5c n LYS 15 Ca 0.06 0.44 0.06 0.00 -0.87 0.00 0.00 58.31 57.99 1x5c n LYS 15 Cb 0.07 -1.69 0.16 0.00 0.02 0.00 0.00 35.03 33.59 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 -4.13 1.63 0.07 3.14 6.94 -1.09 -4.87 115.26 116.95 1x5c n ASN 16 Ca -0.36 -3.40 -0.06 0.00 -0.02 0.00 0.00 54.58 50.74 1x5c n ASN 16 Cb 0.81 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.74 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 0.80 -0.49 -0.64 -2.53 3.57 0.12 -2.19 116.94 115.59 1x5c h PHE 17 Ca -0.04 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1x5c h PHE 17 Cb 1.16 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 1x5c h PHE 17 CO 0.52 -0.21 0.42 0.93 -2.23 0.00 0.00 178.31 177.74 1x5c h GLU 18 N -0.29 0.58 -1.00 1.11 5.08 -1.89 0.43 114.58 118.59 1x5c h GLU 18 Ca -0.01 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 1x5c h GLU 18 Cb 0.27 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1x5c h GLU 18 CO -0.06 0.38 0.62 -0.44 -1.00 0.00 0.00 179.01 178.51 1x5c h ASP 19 N 0.60 0.79 0.00 1.42 3.32 -1.72 -0.75 116.42 120.07 1x5c h ASP 19 Ca 0.28 0.09 -0.21 0.00 0.02 0.00 0.00 57.03 57.21 1x5c h ASP 19 Cb 0.34 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1x5c h ASP 19 CO -0.09 0.30 -1.58 0.52 -1.72 0.00 0.00 179.24 176.67 1x5c n VAL 20 N -4.73 1.51 -0.05 -1.35 0.31 -0.58 -4.65 118.33 108.78 1x5c n VAL 20 Ca 0.23 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.39 1x5c n VAL 20 Cb 0.55 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.95 -0.64 -1.01 3.52 0.00 -0.20 -3.28 119.26 116.70 1x5c h ALA 21 Ca -0.31 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 1x5c h ALA 21 Cb 1.22 0.91 -0.08 0.00 0.00 0.00 0.00 17.79 19.84 1x5c h ALA 21 CO -0.19 -0.79 1.24 -0.06 0.00 0.00 0.00 179.25 179.45 1x5c s PHE 22 N -4.60 2.27 -0.11 0.00 0.08 -0.29 -4.62 117.98 110.72 1x5c s PHE 22 Ca -0.09 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.67 1x5c s PHE 22 Cb 0.05 -4.48 0.01 0.00 -0.57 0.00 0.00 43.02 38.03 1x5c s PHE 22 CO 0.37 -1.89 -0.16 0.34 -0.10 0.00 0.00 175.22 173.78 1x5c s ASP 23 N 5.94 2.46 0.62 1.36 2.15 -1.24 -4.72 116.67 123.24 1x5c s ASP 23 Ca 0.53 -0.43 -0.18 0.00 0.43 0.00 0.00 52.55 52.90 1x5c s ASP 23 Cb -0.03 -1.10 -0.02 0.00 -0.30 0.00 0.00 42.92 41.47 1x5c s ASP 23 CO -0.05 0.02 1.19 -0.70 -0.17 0.00 0.00 175.17 175.46 1x5c s GLU 24 N 0.95 2.85 -1.33 4.34 2.12 -1.26 -2.91 118.70 123.46 1x5c s GLU 24 Ca -0.07 1.73 -0.09 0.00 0.36 0.00 0.00 54.97 56.90 1x5c s GLU 24 Cb -0.15 -1.92 0.06 0.00 0.26 0.00 0.00 34.13 32.38 1x5c s GLU 24 CO -0.01 -1.28 0.52 1.63 -0.54 0.00 0.00 175.26 175.58 1x5c n LYS 25 N -1.86 -3.66 -3.66 4.30 4.76 -1.25 -4.93 118.16 111.85 1x5c n LYS 25 Ca 0.13 0.54 -0.07 0.00 -2.87 0.00 0.00 58.31 56.04 1x5c n LYS 25 Cb 0.50 -5.27 -0.08 0.00 -1.84 0.00 0.00 35.03 28.33 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 -5.99 0.46 -0.90 1.97 2.47 -1.14 -4.88 119.74 111.72 1x5c s LYS 26 Ca 0.39 1.09 -0.18 0.00 -1.56 0.00 0.00 55.97 55.72 1x5c s LYS 26 Cb -0.20 0.32 0.15 0.00 -1.46 0.00 0.00 37.83 36.63 1x5c s LYS 26 CO 0.49 -0.20 1.04 -0.80 0.16 0.00 0.00 175.35 176.03 1x5c s ASN 27 N 2.19 6.65 -0.08 1.43 0.01 0.15 -3.79 114.94 121.51 1x5c s ASN 27 Ca -0.06 -2.18 -0.17 0.00 -0.71 0.00 0.00 52.86 49.74 1x5c s ASN 27 Cb -0.10 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 1x5c s ASN 27 CO -0.15 -0.95 0.44 -0.69 -1.51 0.00 0.00 177.10 174.24 1x5c s VAL 28 N 2.10 5.13 -0.40 1.60 1.01 -0.63 -1.70 120.40 127.51 1x5c s VAL 28 Ca 0.29 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 1x5c s VAL 28 Cb -0.06 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.66 1x5c s VAL 28 CO -0.09 0.42 0.18 0.12 0.00 0.00 0.00 175.10 175.73 1x5c s PHE 29 N 0.01 3.61 0.53 5.22 5.36 -0.20 -0.22 117.98 132.30 1x5c s PHE 29 Ca 0.24 -2.55 -0.10 0.00 -0.96 0.00 0.00 56.93 53.57 1x5c s PHE 29 Cb -0.16 -3.17 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 1x5c s PHE 29 CO 0.11 -0.96 0.91 0.08 -1.46 0.00 0.00 175.22 173.90 1x5c s VAL 30 N 1.04 4.75 -0.25 3.12 1.01 -0.97 -1.70 120.40 127.40 1x5c s VAL 30 Ca 0.09 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1x5c s VAL 30 Cb -0.22 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1x5c s VAL 30 CO -0.05 -0.89 0.08 -0.70 0.00 0.00 0.00 175.10 173.54 1x5c s GLU 31 N -4.67 0.45 -0.78 2.72 2.12 -0.51 -2.63 118.70 115.41 1x5c s GLU 31 Ca 0.53 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 55.04 1x5c s GLU 31 Cb -0.11 -1.78 0.04 0.00 0.26 0.00 0.00 34.13 32.55 1x5c s GLU 31 CO 0.44 -0.83 1.26 -0.06 -0.54 0.00 0.00 175.26 175.53 1x5c s PHE 32 N 1.91 2.40 0.50 5.30 0.08 0.31 -2.23 117.98 126.24 1x5c s PHE 32 Ca 0.05 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1x5c s PHE 32 Cb -0.17 -4.58 0.02 0.00 -0.57 0.00 0.00 43.02 37.72 1x5c s PHE 32 CO -0.20 -1.98 0.45 1.52 -0.10 0.00 0.00 175.22 174.90 1x5c s TYR 33 N 5.30 1.98 -0.03 0.36 -0.85 -1.05 -0.60 117.35 122.46 1x5c s TYR 33 Ca 0.35 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 1x5c s TYR 33 Cb -0.08 -2.05 -0.00 0.00 0.38 0.00 0.00 41.96 40.21 1x5c s TYR 33 CO 0.10 -0.44 -0.14 0.00 -1.52 0.00 0.00 175.55 173.54 1x5c s ALA 34 N -2.65 1.27 -1.76 9.51 0.00 -1.26 -3.08 121.76 123.79 1x5c s ALA 34 Ca 0.43 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 51.97 1x5c s ALA 34 Cb -0.03 -0.42 0.85 0.00 0.00 0.00 0.00 23.12 23.52 1x5c s ALA 34 CO 0.26 0.24 1.37 -0.35 0.00 0.00 0.00 175.76 177.28 1x5c n PRO 35 N 3.12 0.37 0.00 0.00 -0.04 -1.26 -3.30 135.00 133.89 1x5c n PRO 35 Ca -0.18 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 -1.64 0.54 4.27 -1.26 -5.04 117.44 113.18 1x5c n TRP 36 Ca 0.10 0.00 -0.53 0.00 -3.89 0.00 0.00 57.50 53.17 1x5c n TRP 36 Cb 0.08 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.97 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 5.77 -0.19 -1.13 0.00 0.00 -1.95 -1.82 103.07 103.75 1x5c h GLY 38 Ca -0.47 0.07 0.43 0.00 0.00 0.00 0.00 47.33 47.36 1x5c h GLY 38 CO 0.85 -0.07 0.67 1.42 0.00 0.00 0.00 176.54 179.42 1x5c n HIS 39 N -2.49 0.94 -0.13 5.60 8.25 -1.26 0.17 115.22 126.30 1x5c n HIS 39 Ca -0.02 0.95 -0.11 0.00 -0.26 0.00 0.00 57.72 58.28 1x5c n HIS 39 Cb 0.07 -1.37 -0.02 0.00 1.12 0.00 0.00 29.99 29.80 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 0.51 0.00 0.00 0.00 1.57 0.27 0.88 116.57 119.80 1x5c h LYS 41 Ca 0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1x5c h LYS 41 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1x5c h LYS 41 CO 0.03 0.00 -0.95 1.96 -0.57 0.00 0.00 179.45 179.92 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.30 -3.31 115.11 114.73 1x5c h GLN 42 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1x5c h GLN 42 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1x5c h GLN 42 CO -0.00 0.09 -0.23 1.25 -0.95 0.00 0.00 178.83 178.99 1x5c h LEU 43 N 0.00 0.00 -0.28 1.46 5.85 0.88 -3.33 115.31 119.89 1x5c h LEU 43 Ca -0.04 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1x5c h LEU 43 Cb 1.15 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1x5c h LEU 43 CO 0.01 0.01 -0.31 0.00 -0.34 0.00 0.00 178.44 177.82 1x5c h ALA 44 N 2.18 -0.24 0.05 1.25 0.00 -1.43 0.49 119.26 121.56 1x5c h ALA 44 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x5c h ALA 44 Cb 0.91 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1x5c h ALA 44 CO 0.00 -0.74 -0.02 -1.00 0.00 0.00 0.00 179.25 177.49 1x5c h PRO 45 N -0.30 -0.06 -0.93 0.00 0.13 -1.81 -2.10 132.00 126.93 1x5c h PRO 45 Ca 0.14 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.39 1x5c h PRO 45 Cb 0.53 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.60 1x5c h PRO 45 CO -0.45 0.41 0.60 0.82 -0.23 0.00 0.00 178.00 179.15 1x5c h ILE 46 N -0.55 0.92 -0.16 -3.56 2.04 -1.62 0.96 117.51 115.54 1x5c h ILE 46 Ca -0.01 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.38 1x5c h ILE 46 Cb 0.49 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1x5c h ILE 46 CO 0.01 0.16 -0.60 -0.25 0.00 0.00 0.00 178.15 177.48 1x5c h TRP 47 N 0.88 0.69 0.00 1.37 2.91 -0.02 -2.57 115.95 119.22 1x5c h TRP 47 Ca 0.45 -0.26 -0.07 0.00 1.13 0.00 0.00 58.89 60.14 1x5c h TRP 47 Cb 0.50 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1x5c h TRP 47 CO -0.00 1.00 -0.34 0.22 -1.03 0.00 0.00 178.44 178.29 1x5c h ASP 48 N 0.41 0.00 1.38 2.65 1.82 -0.45 -1.50 116.42 120.73 1x5c h ASP 48 Ca -0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 1x5c h ASP 48 Cb 1.15 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 1x5c h ASP 48 CO 0.11 0.34 -0.62 0.11 -1.61 0.00 0.00 179.24 177.57 1x5c h LYS 49 N 0.00 0.00 0.11 0.28 1.57 -0.72 -3.21 116.57 114.60 1x5c h LYS 49 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1x5c h LYS 49 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1x5c h LYS 49 CO 0.04 0.59 -1.63 1.25 -0.57 0.00 0.00 179.45 179.14 1x5c h LEU 50 N 0.00 0.37 -0.72 2.94 5.85 -1.26 -3.33 115.31 119.17 1x5c h LEU 50 Ca -0.01 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 1x5c h LEU 50 Cb 1.47 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1x5c h LEU 50 CO 0.08 1.48 0.44 1.23 -0.34 0.00 0.00 178.44 181.33 1x5c h GLY 51 N 1.72 1.04 2.00 3.75 0.00 -1.36 -1.96 103.07 108.26 1x5c h GLY 51 Ca -0.28 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1x5c h GLY 51 CO 0.14 0.42 -0.13 1.05 0.00 0.00 0.00 176.54 178.02 1x5c h GLU 52 N 0.98 0.00 -0.25 4.80 4.11 -1.54 0.17 114.58 122.85 1x5c h GLU 52 Ca 0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.57 1x5c h GLU 52 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1x5c h GLU 52 CO -0.05 0.13 -0.33 1.15 0.07 0.00 0.00 179.01 179.98 1x5c h THR 53 N 0.00 1.29 -0.28 -1.06 2.02 -1.46 -3.19 112.91 110.22 1x5c h THR 53 Ca -0.00 -1.44 -0.21 0.00 0.77 0.00 0.00 66.41 65.53 1x5c h THR 53 Cb 0.25 1.45 -0.16 0.00 -1.74 0.00 0.00 68.15 67.95 1x5c h THR 53 CO 0.02 0.45 -0.62 -1.22 0.37 0.00 0.00 175.52 174.52 1x5c n TYR 54 N -4.07 1.04 0.08 3.16 4.02 -0.81 -4.71 117.16 115.88 1x5c n TYR 54 Ca -0.01 -1.77 -0.09 0.00 -0.01 0.00 0.00 57.90 56.02 1x5c n TYR 54 Cb 0.47 -0.28 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 1.45 0.13 -0.20 -0.72 2.10 -0.67 -3.28 116.57 115.38 1x5c h LYS 55 Ca 0.14 -0.16 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1x5c h LYS 55 Cb 1.21 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1x5c h LYS 55 CO 0.29 0.98 -0.08 -0.25 -2.00 0.00 0.00 179.45 178.39 1x5c n ASP 56 N -3.55 2.84 -3.06 7.07 8.00 -1.26 -4.98 116.55 121.62 1x5c n ASP 56 Ca -0.03 -3.38 -0.15 0.00 0.71 0.00 0.00 54.79 51.95 1x5c n ASP 56 Cb 0.87 -0.55 0.13 0.00 -0.02 0.00 0.00 41.12 41.56 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1x5c n HIS 57 N -0.99 -3.23 -0.12 1.24 -0.00 -1.24 -5.03 115.22 105.86 1x5c n HIS 57 Ca 0.24 -0.46 -0.25 0.00 0.46 0.00 0.00 57.72 57.71 1x5c n HIS 57 Cb 0.86 -0.59 -0.09 0.00 -0.12 0.00 0.00 29.99 30.05 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 -3.45 0.52 -0.01 1.57 0.28 -1.26 -4.82 120.64 113.46 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 0.29 -1.37 -0.02 0.00 1.43 0.00 0.00 31.44 31.77 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 -4.00 4.25 -4.60 -1.84 0.23 -1.26 -4.96 115.26 103.09 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 0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 39.14 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 -2.09 4.34 -0.19 1.53 1.01 -1.26 0.32 121.20 124.86 1x5c s ILE 60 Ca -0.01 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1x5c s ILE 60 Cb 0.01 -4.52 0.05 0.00 0.01 0.00 0.00 42.46 38.01 1x5c s ILE 60 CO 0.13 -0.87 -0.07 -0.69 0.00 0.00 0.00 174.94 173.44 1x5c s VAL 61 N 4.11 1.35 0.27 2.92 1.01 -0.69 -4.28 120.40 125.09 1x5c s VAL 61 Ca 0.44 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1x5c s VAL 61 Cb -0.09 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 1x5c s VAL 61 CO 0.28 0.08 0.84 -0.63 0.00 0.00 0.00 175.10 175.67 1x5c s ILE 62 N 1.51 4.37 0.02 2.22 -1.09 -1.26 -1.04 121.20 125.94 1x5c s ILE 62 Ca -0.01 1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 59.83 1x5c s ILE 62 Cb -0.16 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1x5c s ILE 62 CO -0.08 0.19 0.36 0.00 -1.23 0.00 0.00 174.94 174.18 1x5c s ALA 63 N -1.55 -0.87 0.04 9.38 0.00 -0.69 -2.27 121.76 125.81 1x5c s ALA 63 Ca 0.46 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1x5c s ALA 63 Cb -0.18 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1x5c s ALA 63 CO 0.23 -0.36 -0.14 -1.59 0.00 0.00 0.00 175.76 173.89 1x5c s LYS 64 N -1.97 0.94 -0.07 0.00 -2.85 0.10 -1.42 119.74 114.47 1x5c s LYS 64 Ca -0.09 -0.77 -0.08 0.00 -1.00 0.00 0.00 55.97 54.03 1x5c s LYS 64 Cb -0.02 -0.95 0.02 0.00 -2.06 0.00 0.00 37.83 34.82 1x5c s LYS 64 CO 0.01 0.23 0.22 1.41 0.10 0.00 0.00 175.35 177.32 1x5c s MET 65 N -1.17 0.32 -0.79 1.78 1.75 -0.95 -0.81 119.30 119.43 1x5c s MET 65 Ca 0.01 0.19 -0.20 0.00 -1.25 0.00 0.00 55.69 54.44 1x5c s MET 65 Cb -0.08 0.15 0.11 0.00 2.84 0.00 0.00 34.83 37.85 1x5c s MET 65 CO 0.01 -0.05 1.02 -0.51 -0.65 0.00 0.00 175.02 174.84 1x5c s ASP 66 N -0.18 6.41 0.43 1.11 1.01 -1.26 -2.53 116.67 121.67 1x5c s ASP 66 Ca -0.03 -1.59 0.25 0.00 0.71 0.00 0.00 52.55 51.89 1x5c s ASP 66 Cb -0.03 -2.40 1.36 0.00 1.01 0.00 0.00 42.92 42.87 1x5c s ASP 66 CO 0.01 -1.21 1.74 -1.28 0.21 0.00 0.00 175.17 174.64 1x5c h SER 67 N 9.14 0.00 0.81 0.27 0.87 -1.67 0.85 113.55 123.82 1x5c h SER 67 Ca -0.05 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.27 1x5c h SER 67 Cb 1.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1x5c h SER 67 CO 1.13 0.00 -1.28 0.71 -0.53 0.00 0.00 176.83 176.87 1x5c h THR 68 N 0.00 1.26 0.00 2.23 1.35 -1.89 -3.35 112.91 112.51 1x5c h THR 68 Ca 0.00 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1x5c h THR 68 Cb 0.23 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1x5c h THR 68 CO 0.00 0.72 -1.19 0.00 -0.25 0.00 0.00 175.52 174.79 1x5c n ALA 69 N -2.43 3.68 -3.72 6.62 0.00 0.52 -4.92 120.51 120.27 1x5c n ALA 69 Ca -0.07 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.70 1x5c n ALA 69 Cb 0.97 -0.63 -0.17 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.17 0.95 -0.05 0.00 0.01 0.27 -4.88 114.94 108.07 1x5c s ASN 70 Ca 0.02 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.21 1x5c s ASN 70 Cb 0.13 -0.26 -0.01 0.00 0.41 0.00 0.00 41.25 41.51 1x5c s ASN 70 CO 0.73 -0.17 -0.23 -0.70 -1.51 0.00 0.00 177.10 175.22 1x5c s GLU 71 N 1.60 2.49 0.00 -0.60 2.56 -1.26 -4.01 118.70 119.49 1x5c s GLU 71 Ca -0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 54.97 54.08 1x5c s GLU 71 Cb -0.13 -2.18 -0.00 0.00 2.00 0.00 0.00 34.13 33.82 1x5c s GLU 71 CO -0.03 0.44 -0.00 0.14 -0.56 0.00 0.00 175.26 175.25 1x5c s VAL 72 N -0.30 0.02 0.24 3.70 -7.23 -1.26 -4.91 120.40 110.66 1x5c s VAL 72 Ca 0.01 -0.13 0.09 0.00 -1.81 0.00 0.00 61.98 60.14 1x5c s VAL 72 Cb -0.13 -0.05 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 1x5c s VAL 72 CO 0.02 -0.07 1.55 1.05 -0.31 0.00 0.00 175.10 177.35 1x5c h GLU 73 N 5.93 0.04 0.00 4.82 4.11 -2.00 -2.96 114.58 124.52 1x5c h GLU 73 Ca -0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1x5c h GLU 73 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1x5c h GLU 73 CO 0.49 0.70 0.06 0.00 0.07 0.00 0.00 179.01 180.34 1x5c n ALA 74 N -2.42 0.94 -3.67 1.06 0.00 -1.26 -4.38 120.51 110.78 1x5c n ALA 74 Ca -0.01 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1x5c n ALA 74 Cb 0.66 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.36 -0.41 -0.24 0.00 1.01 -1.12 -5.03 120.40 111.25 1x5c s VAL 75 Ca -0.02 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1x5c s VAL 75 Cb 0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1x5c s VAL 75 CO 0.14 0.06 0.12 -0.54 0.00 0.00 0.00 175.10 174.87 1x5c s LYS 76 N 2.15 3.90 -0.25 2.72 -0.14 -1.26 -4.43 119.74 122.44 1x5c s LYS 76 Ca -0.05 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1x5c s LYS 76 Cb -0.10 -3.42 0.06 0.00 -1.68 0.00 0.00 37.83 32.69 1x5c s LYS 76 CO -0.13 -0.01 -0.05 0.08 -0.76 0.00 0.00 175.35 174.48 1x5c s VAL 77 N 1.20 1.64 -0.23 3.17 1.01 -1.26 -4.97 120.40 120.96 1x5c s VAL 77 Ca 0.06 -1.37 0.14 0.00 0.00 0.00 0.00 61.98 60.81 1x5c s VAL 77 Cb -0.14 -1.92 0.60 0.00 0.00 0.00 0.00 36.38 34.92 1x5c s VAL 77 CO 0.05 -0.15 1.54 1.41 0.00 0.00 0.00 175.10 177.94 1x5c n HIS 78 N 4.62 1.38 -3.68 5.22 8.25 -1.26 -4.99 115.22 124.76 1x5c n HIS 78 Ca -0.11 -1.04 -0.04 0.00 -0.26 0.00 0.00 57.72 56.27 1x5c n HIS 78 Cb 0.43 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x5c s SER 79 N -1.74 -0.22 -0.01 0.41 0.01 -1.26 -5.19 113.70 105.69 1x5c s SER 79 Ca 0.46 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.17 1x5c s SER 79 Cb 0.38 0.44 0.06 0.00 0.21 0.00 0.00 66.02 67.11 1x5c s SER 79 CO 0.09 -0.78 0.63 -0.36 0.41 0.00 0.00 173.24 173.22 1x5c s PHE 80 N -3.18 -0.59 0.43 2.43 0.08 -1.26 -4.07 117.98 111.83 1x5c s PHE 80 Ca 0.10 0.91 -0.24 0.00 0.12 0.00 0.00 56.93 57.82 1x5c s PHE 80 Cb -0.01 0.40 -0.08 0.00 -0.57 0.00 0.00 43.02 42.76 1x5c s PHE 80 CO -0.01 -0.62 1.18 -1.25 -0.10 0.00 0.00 175.22 174.41 1x5c s PRO 81 N -1.61 3.90 -0.14 0.24 0.04 -1.26 -4.80 135.00 131.36 1x5c s PRO 81 Ca -0.09 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1x5c s PRO 81 Cb -0.01 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 32.01 1x5c s PRO 81 CO 0.06 -0.45 -0.18 0.99 0.04 0.00 0.00 177.00 177.46 1x5c s THR 82 N -1.47 1.76 -0.07 1.26 2.01 0.23 -5.02 115.64 114.35 1x5c s THR 82 Ca 0.60 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1x5c s THR 82 Cb -0.30 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1x5c s THR 82 CO 0.37 0.49 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.91 1x5c s LEU 83 N 1.08 2.82 -0.03 4.42 1.43 -1.26 0.11 118.68 127.25 1x5c s LEU 83 Ca -0.03 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1x5c s LEU 83 Cb -0.14 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1x5c s LEU 83 CO -0.05 0.32 0.03 -0.54 0.23 0.00 0.00 176.35 176.34 1x5c s LYS 84 N -0.58 0.05 -0.12 1.70 1.02 -1.08 -3.13 119.74 117.59 1x5c s LYS 84 Ca 0.08 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.14 1x5c s LYS 84 Cb -0.11 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1x5c s LYS 84 CO 0.01 -0.24 0.44 0.12 -0.92 0.00 0.00 175.35 174.76 1x5c s PHE 85 N 1.56 3.51 -0.37 3.18 5.36 -0.16 -2.29 117.98 128.77 1x5c s PHE 85 Ca -0.03 0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 56.71 1x5c s PHE 85 Cb -0.13 -2.50 0.06 0.00 -0.34 0.00 0.00 43.02 40.11 1x5c s PHE 85 CO -0.03 0.20 0.17 -0.06 -1.46 0.00 0.00 175.22 174.03 1x5c s PHE 86 N 0.55 3.33 1.00 10.12 0.08 0.70 0.02 117.98 133.77 1x5c s PHE 86 Ca 0.24 -1.60 -0.12 0.00 0.12 0.00 0.00 56.93 55.57 1x5c s PHE 86 Cb -0.15 -2.63 0.19 0.00 -0.57 0.00 0.00 43.02 39.86 1x5c s PHE 86 CO 0.09 -0.80 1.09 -1.25 -0.10 0.00 0.00 175.22 174.25 1x5c s PRO 87 N 1.37 0.43 -0.37 0.24 0.04 -1.26 -1.61 135.00 133.85 1x5c s PRO 87 Ca 0.01 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 61.53 1x5c s PRO 87 Cb -0.21 -1.74 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 1x5c s PRO 87 CO 0.02 -2.74 2.94 0.00 0.04 0.00 0.00 177.00 177.25 1x5c n ALA 88 N -4.18 5.67 -2.60 8.56 0.00 -1.25 -4.75 120.51 121.97 1x5c n ALA 88 Ca 0.05 -1.88 -0.29 0.00 0.00 0.00 0.00 53.44 51.32 1x5c n ALA 88 Cb 0.57 -2.56 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 1x5c n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5c s SER 89 N 2.32 4.49 0.00 0.00 0.15 -1.26 -3.82 113.70 115.58 1x5c s SER 89 Ca 0.55 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.08 1x5c s SER 89 Cb 0.23 -0.89 0.65 0.00 -1.71 0.00 0.00 66.02 64.30 1x5c s SER 89 CO -0.01 0.16 1.50 0.00 1.20 0.00 0.00 173.24 176.09 1x5c n ALA 90 N 0.53 3.18 -0.56 5.45 0.00 -1.26 -4.09 120.51 123.76 1x5c n ALA 90 Ca -0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 1x5c n ALA 90 Cb 0.53 -1.09 0.07 0.00 0.00 0.00 0.00 19.45 18.96 1x5c n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x5c n ASP 91 N -0.64 4.90 -3.94 0.00 -0.08 -1.26 -4.85 116.55 110.68 1x5c n ASP 91 Ca 0.11 -3.01 -0.32 0.00 -1.51 0.00 0.00 54.79 50.07 1x5c n ASP 91 Cb 0.36 -0.85 -0.07 0.00 2.34 0.00 0.00 41.12 42.90 1x5c n ASP 91 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1x5c n ARG 92 N -0.14 -0.82 -2.28 -0.67 1.74 -1.26 -4.82 116.66 108.41 1x5c n ARG 92 Ca 0.34 0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 57.12 1x5c n ARG 92 Cb 0.89 -3.51 -0.02 0.00 -1.02 0.00 0.00 32.46 28.80 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x5c s THR 93 N -3.16 3.11 -0.03 0.55 2.01 -1.26 -5.04 115.64 111.81 1x5c s THR 93 Ca 0.48 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.51 1x5c s THR 93 Cb -0.28 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1x5c s THR 93 CO 0.81 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.12 1x5c s VAL 94 N -1.31 0.78 0.00 3.82 1.01 -1.26 -4.15 120.40 119.29 1x5c s VAL 94 Ca 0.53 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1x5c s VAL 94 Cb -0.33 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1x5c s VAL 94 CO 0.42 0.25 -0.03 -0.63 0.00 0.00 0.00 175.10 175.12 1x5c s ILE 95 N 0.32 3.94 -0.20 2.22 1.01 0.10 -4.96 121.20 123.64 1x5c s ILE 95 Ca -0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 1x5c s ILE 95 Cb -0.10 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1x5c s ILE 95 CO 0.01 0.38 0.50 -1.81 0.00 0.00 0.00 174.94 174.02 1x5c s ASP 96 N -1.50 6.54 -0.47 3.58 1.01 -1.26 -0.99 116.67 123.58 1x5c s ASP 96 Ca 0.18 0.65 -0.22 0.00 0.71 0.00 0.00 52.55 53.88 1x5c s ASP 96 Cb -0.11 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.57 1x5c s ASP 96 CO 0.09 -0.17 0.72 -0.47 0.21 0.00 0.00 175.17 175.56 1x5c s TYR 97 N 1.60 3.00 -0.58 4.23 6.14 -1.18 -4.94 117.35 125.61 1x5c s TYR 97 Ca 0.23 -0.07 0.06 0.00 0.64 0.00 0.00 57.07 57.93 1x5c s TYR 97 Cb -0.15 -3.58 0.24 0.00 0.42 0.00 0.00 41.96 38.89 1x5c s TYR 97 CO 0.09 -1.00 0.65 0.09 0.64 0.00 0.00 175.55 176.02 1x5c n ASN 98 N 6.56 2.65 0.00 4.32 4.13 -1.26 -4.76 115.26 126.90 1x5c n ASN 98 Ca -0.01 -3.20 0.00 0.00 1.68 0.00 0.00 54.58 53.06 1x5c n ASN 98 Cb 0.47 -0.67 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 5.31 0.31 7.41 0.00 -1.26 -5.03 105.19 113.13 1x5c n GLY 99 Ca 0.27 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 0.90 -2.74 1.61 4.11 -1.97 -3.47 114.58 113.02 1x5c h GLU 100 Ca 0.00 -0.20 -0.10 0.00 0.07 0.00 0.00 59.36 59.13 1x5c h GLU 100 Cb 0.00 -0.13 0.04 0.00 0.50 0.00 0.00 28.75 29.17 1x5c h GLU 100 CO 0.00 0.82 -0.20 -2.13 0.07 0.00 0.00 179.01 177.56 1x5c n ARG 101 N -4.25 -2.01 -4.26 1.06 0.63 -1.26 -5.06 116.66 101.51 1x5c n ARG 101 Ca 0.04 0.23 -0.20 0.00 -0.92 0.00 0.00 57.85 57.01 1x5c n ARG 101 Cb 0.25 -3.44 -0.11 0.00 0.45 0.00 0.00 32.46 29.60 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 -3.10 1.47 0.27 5.15 -4.23 -1.26 -4.98 115.64 108.96 1x5c s THR 102 Ca 0.07 -1.70 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1x5c s THR 102 Cb -0.03 -1.56 0.41 0.00 1.34 0.00 0.00 72.50 72.66 1x5c s THR 102 CO 0.20 -0.33 1.56 0.25 -0.54 0.00 0.00 174.62 175.77 1x5c h LEU 103 N 3.61 -0.98 -0.63 4.79 5.85 -1.98 0.97 115.31 126.95 1x5c h LEU 103 Ca -0.41 0.29 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 1x5c h LEU 103 Cb 1.20 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1x5c h LEU 103 CO 0.48 -0.31 -0.58 0.44 -0.34 0.00 0.00 178.44 178.12 1x5c h ASP 104 N -0.00 0.37 -0.40 1.25 5.19 -1.96 -3.13 116.42 117.73 1x5c h ASP 104 Ca 0.44 -0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 56.58 1x5c h ASP 104 Cb 0.69 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1x5c h ASP 104 CO -0.99 0.87 -0.00 1.23 -3.12 0.00 0.00 179.24 177.23 1x5c h GLY 105 N 1.34 0.86 0.94 2.75 0.00 0.35 -2.99 103.07 106.33 1x5c h GLY 105 Ca -0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1x5c h GLY 105 CO 0.10 0.53 0.11 0.74 0.00 0.00 0.00 176.54 178.02 1x5c h PHE 106 N 0.75 0.68 -0.84 5.60 0.04 -0.29 -2.87 116.94 120.01 1x5c h PHE 106 Ca 0.14 -0.08 0.13 0.00 2.80 0.00 0.00 57.97 60.97 1x5c h PHE 106 Cb 0.46 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.33 1x5c h PHE 106 CO 0.02 0.64 0.45 0.87 -0.60 0.00 0.00 178.31 179.69 1x5c h LYS 107 N 0.52 0.65 0.46 1.51 1.57 -1.48 -0.67 116.57 119.12 1x5c h LYS 107 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1x5c h LYS 107 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1x5c h LYS 107 CO -0.00 0.43 -0.23 0.87 -0.57 0.00 0.00 179.45 179.95 1x5c h LYS 108 N 0.67 -0.61 -0.54 3.15 1.57 -1.42 0.34 116.57 119.74 1x5c h LYS 108 Ca 0.44 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.34 1x5c h LYS 108 Cb 0.56 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 1x5c h LYS 108 CO -0.33 -0.40 0.18 0.35 -0.57 0.00 0.00 179.45 178.68 1x5c h PHE 109 N -0.63 0.31 0.46 -1.35 3.57 -1.22 -2.21 116.94 115.87 1x5c h PHE 109 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1x5c h PHE 109 Cb 0.49 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1x5c h PHE 109 CO -0.05 0.08 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.82 1x5c h LEU 110 N 0.35 -0.52 -0.94 0.59 3.38 -0.96 -2.40 115.31 114.81 1x5c h LEU 110 Ca 0.27 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.62 1x5c h LEU 110 Cb 0.32 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 1x5c h LEU 110 CO -0.29 -0.29 0.54 -0.62 0.09 0.00 0.00 178.44 177.88 1x5c n GLU 111 N -4.11 -0.04 -0.07 1.13 1.02 0.12 0.20 120.64 118.89 1x5c n GLU 111 Ca -0.08 1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 58.05 1x5c n GLU 111 Cb 0.24 -2.06 -0.05 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.47 0.00 1.62 0.02 -1.31 -3.48 113.55 110.87 1x5c h SER 112 Ca 0.72 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1x5c h SER 112 Cb 2.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1x5c h SER 112 CO -0.56 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1x5c n GLY 113 N 0.00 1.64 1.38 -3.77 0.00 0.55 -4.78 105.19 100.22 1x5c n GLY 113 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.04 0.87 3.82 -0.02 0.00 -0.93 -5.01 105.19 103.87 1x5c n GLY 114 Ca 0.00 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.72 3.30 -0.49 1.61 -1.52 -1.25 -5.07 119.66 111.51 1x5c s GLN 115 Ca 0.00 -0.22 -0.11 0.00 -1.95 0.00 0.00 55.36 53.08 1x5c s GLN 115 Cb 0.00 -3.07 0.12 0.00 -0.22 0.00 0.00 33.01 29.84 1x5c s GLN 115 CO 0.00 0.75 0.39 -1.12 -0.25 0.00 0.00 175.29 175.07 1x5c s SER 116 N -0.98 5.86 0.00 5.90 0.01 -1.26 -4.88 113.70 118.35 1x5c s SER 116 Ca 0.14 -1.87 0.00 0.00 1.31 0.00 0.00 55.95 55.53 1x5c s SER 116 Cb -0.12 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1x5c s SER 116 CO 0.03 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x5c n GLY 117 N 5.02 -0.36 0.00 3.44 0.00 -1.26 -4.32 105.19 107.71 1x5c n GLY 117 Ca -0.10 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 0.49 -2.62 1.61 -0.04 -1.26 -4.83 135.00 128.35 1x5c n PRO 118 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1x5c n PRO 118 Cb 0.00 -1.25 0.04 0.00 -0.04 0.00 0.00 33.50 32.25 1x5c n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5c n SER 119 N -0.75 -3.08 -4.01 3.54 7.64 -1.26 -5.06 113.62 110.64 1x5c n SER 119 Ca 0.06 -0.35 -0.09 0.00 1.01 0.00 0.00 58.87 59.50 1x5c n SER 119 Cb 0.03 -2.99 -0.11 0.00 -1.01 0.00 0.00 64.21 60.13 1x5c n SER 119 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5c s SER 120 N -3.50 0.31 0.00 6.43 1.04 -1.26 -5.10 113.70 111.61 1x5c s SER 120 Ca 0.11 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1x5c s SER 120 Cb -0.01 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1x5c s SER 120 CO 0.39 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.85