#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 1.38 -0.06 1.61 0.01 -1.26 -5.13 113.70 110.26 1x5c s SER 2 Ca 0.00 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1x5c s SER 2 Cb 0.00 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1x5c s SER 2 CO 0.00 -0.30 0.01 -0.55 0.41 0.00 0.00 173.24 172.81 1x5c s SER 3 N 2.26 1.29 -1.09 2.44 0.15 -1.26 -5.08 113.70 112.41 1x5c s SER 3 Ca 0.04 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.59 1x5c s SER 3 Cb -0.14 -0.34 0.29 0.00 -1.71 0.00 0.00 66.02 64.12 1x5c s SER 3 CO -0.08 -0.19 1.28 0.61 1.20 0.00 0.00 173.24 176.06 1x5c n GLY 4 N 4.98 4.68 0.14 9.45 0.00 -1.26 -4.82 105.19 118.37 1x5c n GLY 4 Ca -0.10 -2.63 -0.12 0.00 0.00 0.00 0.00 46.02 43.17 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 6.02 0.40 -1.09 1.61 4.64 -1.97 -3.08 113.55 120.09 1x5c h SER 5 Ca 0.19 -0.40 0.42 0.00 -0.47 0.00 0.00 61.79 61.53 1x5c h SER 5 Cb 0.74 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 62.57 1x5c h SER 5 CO 1.17 0.71 0.64 -1.54 -0.87 0.00 0.00 176.83 176.93 1x5c n SER 6 N -4.60 0.28 -4.40 4.97 3.41 -1.26 -4.31 113.62 107.71 1x5c n SER 6 Ca -0.05 1.47 -0.29 0.00 -0.26 0.00 0.00 58.87 59.74 1x5c n SER 6 Cb 0.30 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 1x5c n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5c s GLY 7 N -4.33 1.59 -0.02 5.00 0.00 -1.16 -5.06 107.32 103.33 1x5c s GLY 7 Ca -0.08 -1.47 -0.26 0.00 0.00 0.00 0.00 44.72 42.91 1x5c s GLY 7 CO 0.75 -1.45 1.25 -0.56 0.00 0.00 0.00 173.10 173.10 1x5c h PRO 8 N 3.86 -0.02 -6.05 2.90 0.13 -1.79 -3.45 132.00 127.58 1x5c h PRO 8 Ca -0.51 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.94 1x5c h PRO 8 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 1x5c h PRO 8 CO 0.40 0.46 -0.83 0.54 -0.23 0.00 0.00 178.00 178.34 1x5c s VAL 9 N -4.24 2.53 0.54 1.56 0.11 -1.26 -3.01 120.40 116.62 1x5c s VAL 9 Ca -0.16 -0.90 -0.20 0.00 -2.93 0.00 0.00 61.98 57.79 1x5c s VAL 9 Cb 0.02 -1.96 -0.05 0.00 -1.53 0.00 0.00 36.38 32.85 1x5c s VAL 9 CO 0.67 0.57 1.17 -0.75 -3.33 0.00 0.00 175.10 173.43 1x5c s LYS 10 N -0.29 3.30 -0.39 1.54 2.36 -0.92 -4.82 119.74 120.52 1x5c s LYS 10 Ca 0.01 1.74 -0.03 0.00 -2.55 0.00 0.00 55.97 55.14 1x5c s LYS 10 Cb -0.13 -2.07 0.10 0.00 -1.05 0.00 0.00 37.83 34.69 1x5c s LYS 10 CO 0.03 -0.92 0.18 0.08 1.55 0.00 0.00 175.35 176.26 1x5c s VAL 11 N -1.65 3.29 0.35 4.02 1.01 -1.26 0.09 120.40 126.24 1x5c s VAL 11 Ca 0.73 -1.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1x5c s VAL 11 Cb -0.28 -3.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1x5c s VAL 11 CO 0.31 -0.59 0.87 -0.76 0.00 0.00 0.00 175.10 174.93 1x5c s LEU 12 N 1.17 4.15 0.22 3.92 1.43 0.23 -4.95 118.68 124.86 1x5c s LEU 12 Ca 0.06 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.84 1x5c s LEU 12 Cb -0.22 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 1x5c s LEU 12 CO -0.03 -0.18 -0.10 0.68 0.23 0.00 0.00 176.35 176.94 1x5c s VAL 13 N -1.87 1.60 -1.21 -1.59 -7.23 -1.26 -4.44 120.40 104.40 1x5c s VAL 13 Ca 0.54 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1x5c s VAL 13 Cb -0.13 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.72 1x5c s VAL 13 CO 0.18 -0.50 1.13 0.61 -0.31 0.00 0.00 175.10 176.21 1x5c n GLY 14 N -0.43 -0.61 0.13 2.32 0.00 -1.26 0.13 105.19 105.48 1x5c n GLY 14 Ca -0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1x5c n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5c h LYS 15 N 0.00 0.20 -0.46 1.61 3.64 -1.95 -3.41 116.57 116.20 1x5c h LYS 15 Ca 0.00 -0.34 -0.32 0.00 -1.27 0.00 0.00 60.65 58.72 1x5c h LYS 15 Cb 0.08 0.13 -0.37 0.00 -0.41 0.00 0.00 32.23 31.66 1x5c h LYS 15 CO 0.00 1.16 -0.94 0.27 -2.27 0.00 0.00 179.45 177.67 1x5c n ASN 16 N -3.76 2.77 0.16 4.20 6.94 -0.94 -4.89 115.26 119.74 1x5c n ASN 16 Ca -0.32 -2.85 -0.07 0.00 -0.02 0.00 0.00 54.58 51.33 1x5c n ASN 16 Cb 0.94 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 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 2.11 -0.42 0.00 -2.53 3.57 0.85 -3.02 116.94 117.51 1x5c h PHE 17 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1x5c h PHE 17 Cb 1.41 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1x5c h PHE 17 CO 0.62 -0.26 0.00 0.93 -2.23 0.00 0.00 178.31 177.37 1x5c h GLU 18 N -0.74 0.00 -0.47 1.11 5.08 -1.90 0.24 114.58 117.90 1x5c h GLU 18 Ca -0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1x5c h GLU 18 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1x5c h GLU 18 CO 0.08 0.00 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.48 1x5c h ASP 19 N 0.00 0.96 0.03 1.42 5.19 -1.85 -2.68 116.42 119.49 1x5c h ASP 19 Ca 0.00 -0.38 -0.38 0.00 -0.62 0.00 0.00 57.03 55.65 1x5c h ASP 19 Cb 0.08 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 1x5c h ASP 19 CO 0.00 1.12 -2.16 0.52 -3.12 0.00 0.00 179.24 175.61 1x5c n VAL 20 N -4.18 1.58 0.14 -1.35 0.31 -0.74 -4.58 118.33 109.50 1x5c n VAL 20 Ca -0.00 -0.44 -0.11 0.00 -0.01 0.00 0.00 64.34 63.78 1x5c n VAL 20 Cb 0.42 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.34 -0.94 -1.28 3.52 0.00 -0.68 -3.35 119.26 116.20 1x5c h ALA 21 Ca -0.53 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 1x5c h ALA 21 Cb 1.75 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 20.12 1x5c h ALA 21 CO -0.16 -0.99 1.18 -0.06 0.00 0.00 0.00 179.25 179.23 1x5c s PHE 22 N -4.81 2.14 -0.12 0.00 0.08 -1.01 -4.63 117.98 109.63 1x5c s PHE 22 Ca -0.11 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 1x5c s PHE 22 Cb 0.03 -4.47 0.04 0.00 -0.57 0.00 0.00 43.02 38.06 1x5c s PHE 22 CO 0.39 -2.07 0.05 0.16 -0.10 0.00 0.00 175.22 173.65 1x5c s ASP 23 N 5.38 1.94 0.56 1.36 1.47 -1.26 -4.76 116.67 121.36 1x5c s ASP 23 Ca 0.48 -0.34 -0.21 0.00 1.18 0.00 0.00 52.55 53.65 1x5c s ASP 23 Cb -0.07 -0.31 -0.05 0.00 -0.34 0.00 0.00 42.92 42.15 1x5c s ASP 23 CO 0.10 -0.28 1.30 1.21 0.68 0.00 0.00 175.17 178.18 1x5c n GLU 24 N 5.22 1.53 -2.47 2.11 2.13 -1.26 -2.25 120.64 125.64 1x5c n GLU 24 Ca -0.06 0.57 -0.21 0.00 0.66 0.00 0.00 57.16 58.11 1x5c n GLU 24 Cb 0.49 -2.52 -0.00 0.00 0.27 0.00 0.00 31.44 29.68 1x5c n GLU 24 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1x5c n LYS 25 N -1.10 -2.06 -3.57 5.31 4.76 -1.26 -4.96 118.16 115.28 1x5c n LYS 25 Ca 0.11 1.01 -0.06 0.00 -2.87 0.00 0.00 58.31 56.50 1x5c n LYS 25 Cb 0.45 -5.70 -0.08 0.00 -1.84 0.00 0.00 35.03 27.86 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 -5.13 0.39 -0.73 1.97 2.47 -0.96 -4.79 119.74 112.97 1x5c s LYS 26 Ca 0.04 1.02 -0.21 0.00 -1.56 0.00 0.00 55.97 55.26 1x5c s LYS 26 Cb -0.02 0.31 0.10 0.00 -1.46 0.00 0.00 37.83 36.76 1x5c s LYS 26 CO 0.04 -0.33 0.96 -0.80 0.16 0.00 0.00 175.35 175.38 1x5c s ASN 27 N 2.67 6.31 -0.14 1.43 0.01 0.32 -4.04 114.94 121.51 1x5c s ASN 27 Ca 0.02 -1.39 -0.11 0.00 -0.71 0.00 0.00 52.86 50.66 1x5c s ASN 27 Cb -0.13 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1x5c s ASN 27 CO -0.15 -1.27 0.23 -0.69 -1.51 0.00 0.00 177.10 173.71 1x5c s VAL 28 N 3.38 5.35 -0.43 1.60 1.01 -0.66 -1.30 120.40 129.36 1x5c s VAL 28 Ca 0.23 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1x5c s VAL 28 Cb -0.15 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.80 1x5c s VAL 28 CO 0.04 0.49 0.24 0.12 0.00 0.00 0.00 175.10 175.98 1x5c s PHE 29 N -0.16 3.55 0.48 5.22 5.36 -0.76 0.10 117.98 131.76 1x5c s PHE 29 Ca 0.15 -2.28 -0.13 0.00 -0.96 0.00 0.00 56.93 53.71 1x5c s PHE 29 Cb -0.13 -3.30 -0.07 0.00 -0.34 0.00 0.00 43.02 39.19 1x5c s PHE 29 CO 0.04 -0.98 0.89 0.08 -1.46 0.00 0.00 175.22 173.79 1x5c s VAL 30 N 1.19 4.68 -0.25 3.12 1.01 -0.77 -1.71 120.40 127.67 1x5c s VAL 30 Ca 0.08 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 1x5c s VAL 30 Cb -0.24 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1x5c s VAL 30 CO -0.03 -0.68 0.08 -0.70 0.00 0.00 0.00 175.10 173.77 1x5c s GLU 31 N -4.14 0.47 -0.74 2.72 2.12 -0.80 -2.30 118.70 116.03 1x5c s GLU 31 Ca 0.55 -0.58 -0.26 0.00 0.36 0.00 0.00 54.97 55.04 1x5c s GLU 31 Cb -0.10 -1.79 0.04 0.00 0.26 0.00 0.00 34.13 32.54 1x5c s GLU 31 CO 0.35 -0.84 1.22 -0.06 -0.54 0.00 0.00 175.26 175.39 1x5c s PHE 32 N 1.90 2.37 0.45 5.30 0.08 0.34 -2.25 117.98 126.17 1x5c s PHE 32 Ca 0.05 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.99 1x5c s PHE 32 Cb -0.17 -4.57 -0.00 0.00 -0.57 0.00 0.00 43.02 37.71 1x5c s PHE 32 CO -0.20 -1.99 0.41 1.52 -0.10 0.00 0.00 175.22 174.85 1x5c s TYR 33 N 5.38 2.42 -0.04 0.36 -0.85 -1.07 -0.36 117.35 123.19 1x5c s TYR 33 Ca 0.33 -0.57 0.04 0.00 -0.52 0.00 0.00 57.07 56.34 1x5c s TYR 33 Cb -0.09 -2.13 -0.00 0.00 0.38 0.00 0.00 41.96 40.12 1x5c s TYR 33 CO 0.13 -0.25 -0.15 0.00 -1.52 0.00 0.00 175.55 173.76 1x5c s ALA 34 N -2.54 1.32 -1.55 9.51 0.00 -1.26 -3.29 121.76 123.95 1x5c s ALA 34 Ca 0.46 -0.59 0.15 0.00 0.00 0.00 0.00 51.96 51.99 1x5c s ALA 34 Cb -0.03 -0.44 0.79 0.00 0.00 0.00 0.00 23.12 23.44 1x5c s ALA 34 CO 0.27 0.24 1.40 -0.35 0.00 0.00 0.00 175.76 177.32 1x5c n PRO 35 N 3.15 0.27 0.00 0.00 -0.04 -1.26 -2.39 135.00 134.72 1x5c n PRO 35 Ca -0.18 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1x5c n PRO 35 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.23 0.00 -2.34 0.54 4.27 -1.26 -5.00 117.44 112.43 1x5c n TRP 36 Ca 0.08 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.10 0.00 -0.02 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 h GLY 38 N 11.24 1.58 1.09 0.00 0.00 -1.95 -1.07 103.07 113.96 1x5c h GLY 38 Ca -0.28 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 46.66 1x5c h GLY 38 CO 1.03 0.27 0.43 0.45 0.00 0.00 0.00 176.54 178.72 1x5c h HIS 39 N 1.11 0.62 -0.23 5.60 3.86 -1.91 -2.10 115.15 122.10 1x5c h HIS 39 Ca 0.46 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 1x5c h HIS 39 Cb 0.30 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1x5c h HIS 39 CO -0.00 0.32 0.09 0.00 0.86 0.00 0.00 177.93 179.20 1x5c h LYS 41 N 0.22 0.00 0.00 0.00 6.56 -1.28 1.67 116.57 123.74 1x5c h LYS 41 Ca 0.08 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.44 1x5c h LYS 41 Cb 0.18 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 1x5c h LYS 41 CO -0.01 0.00 -1.51 1.96 -2.06 0.00 0.00 179.45 177.84 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.49 -3.34 115.11 114.50 1x5c h GLN 42 Ca 0.55 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.63 1x5c h GLN 42 Cb 2.59 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 30.01 1x5c h GLN 42 CO -0.01 0.43 -0.60 1.25 -0.95 0.00 0.00 178.83 178.95 1x5c h LEU 43 N 0.00 0.00 -0.75 1.46 5.85 0.26 -3.30 115.31 118.82 1x5c h LEU 43 Ca -0.21 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1x5c h LEU 43 Cb 1.80 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.70 1x5c h LEU 43 CO 0.07 0.60 -0.41 0.00 -0.34 0.00 0.00 178.44 178.36 1x5c h ALA 44 N 1.40 -0.12 0.04 1.25 0.00 -0.67 0.82 119.26 121.98 1x5c h ALA 44 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x5c h ALA 44 Cb 1.41 0.97 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1x5c h ALA 44 CO 0.08 -0.74 -0.02 -1.00 0.00 0.00 0.00 179.25 177.58 1x5c h PRO 45 N -0.12 -0.05 -0.26 0.00 0.13 -1.80 -0.57 132.00 129.34 1x5c h PRO 45 Ca 0.25 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.45 1x5c h PRO 45 Cb 0.56 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1x5c h PRO 45 CO -0.81 0.42 0.22 0.82 -0.23 0.00 0.00 178.00 178.43 1x5c h ILE 46 N -0.53 0.64 0.03 -3.56 2.04 -1.49 0.21 117.51 114.86 1x5c h ILE 46 Ca -0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.57 1x5c h ILE 46 Cb 0.49 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1x5c h ILE 46 CO 0.01 0.00 -1.59 -0.25 0.00 0.00 0.00 178.15 176.32 1x5c h TRP 47 N 0.00 0.13 0.00 1.37 2.91 0.70 -3.16 115.95 117.90 1x5c h TRP 47 Ca 0.12 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1x5c h TRP 47 Cb 0.57 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1x5c h TRP 47 CO 0.00 1.15 0.00 -0.44 -1.03 0.00 0.00 178.44 178.12 1x5c h ASP 48 N 0.02 0.00 0.74 2.65 5.19 0.44 -2.28 116.42 123.19 1x5c h ASP 48 Ca -0.25 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 55.94 1x5c h ASP 48 Cb 1.98 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.45 1x5c h ASP 48 CO 0.10 0.00 -1.38 0.11 -3.12 0.00 0.00 179.24 174.95 1x5c h LYS 49 N 0.00 0.00 0.11 3.56 1.57 -0.76 -3.31 116.57 117.74 1x5c h LYS 49 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1x5c h LYS 49 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1x5c h LYS 49 CO 0.00 0.52 -1.47 1.25 -0.57 0.00 0.00 179.45 179.19 1x5c h LEU 50 N 0.00 0.36 -0.43 2.94 5.85 -1.52 -3.32 115.31 119.19 1x5c h LEU 50 Ca -0.17 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.08 1x5c h LEU 50 Cb 1.78 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1x5c h LEU 50 CO 0.08 1.40 0.28 1.23 -0.34 0.00 0.00 178.44 181.08 1x5c h GLY 51 N 1.79 0.61 2.00 3.75 0.00 -1.55 -1.63 103.07 108.04 1x5c h GLY 51 Ca -0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1x5c h GLY 51 CO 0.16 0.21 -0.05 1.05 0.00 0.00 0.00 176.54 177.91 1x5c h GLU 52 N 0.57 0.00 -0.02 4.80 4.11 -1.63 0.12 114.58 122.54 1x5c h GLU 52 Ca 0.16 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.46 1x5c h GLU 52 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1x5c h GLU 52 CO -0.05 0.05 -0.60 1.15 0.07 0.00 0.00 179.01 179.63 1x5c h THR 53 N 0.00 1.42 -0.10 -1.06 2.02 -1.39 -3.24 112.91 110.56 1x5c h THR 53 Ca -0.00 -2.04 -0.10 0.00 0.77 0.00 0.00 66.41 65.04 1x5c h THR 53 Cb 0.16 2.08 -0.13 0.00 -1.74 0.00 0.00 68.15 68.53 1x5c h THR 53 CO 0.01 0.59 -0.64 -1.22 0.37 0.00 0.00 175.52 174.62 1x5c n TYR 54 N -3.84 0.35 0.08 3.16 4.02 -0.59 -4.74 117.16 115.60 1x5c n TYR 54 Ca -0.01 -1.43 -0.14 0.00 -0.01 0.00 0.00 57.90 56.30 1x5c n TYR 54 Cb 0.60 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.61 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 1.18 0.36 -0.35 -0.72 2.10 -0.82 -3.27 116.57 115.06 1x5c h LYS 55 Ca 0.00 -0.45 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 1x5c h LYS 55 Cb 1.22 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.68 1x5c h LYS 55 CO 0.11 1.14 0.01 -0.25 -2.00 0.00 0.00 179.45 178.46 1x5c n ASP 56 N -3.68 4.16 -3.06 7.07 8.00 -1.26 -4.66 116.55 123.12 1x5c n ASP 56 Ca -0.07 -3.07 -0.15 0.00 0.71 0.00 0.00 54.79 52.21 1x5c n ASP 56 Cb 0.90 -0.59 0.13 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.35 -3.12 -0.12 1.24 -0.00 -1.23 -5.02 115.22 106.61 1x5c n HIS 57 Ca 0.24 -0.43 -0.24 0.00 0.46 0.00 0.00 57.72 57.75 1x5c n HIS 57 Cb 0.98 -0.58 -0.09 0.00 -0.12 0.00 0.00 29.99 30.19 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 -3.52 0.50 -0.02 1.57 0.28 -1.26 -4.82 120.64 113.38 1x5c n GLU 58 Ca 0.07 0.21 -0.01 0.00 -0.16 0.00 0.00 57.16 57.26 1x5c n GLU 58 Cb 0.29 -1.34 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 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 -3.94 4.07 -4.61 -1.84 0.23 -1.26 -4.95 115.26 102.95 1x5c n ASN 59 Ca -0.45 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.17 1x5c n ASN 59 Cb 0.84 0.65 -0.03 0.00 -2.08 0.00 0.00 39.78 39.16 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 -2.11 4.46 -0.24 1.53 1.01 -1.26 0.12 121.20 124.71 1x5c s ILE 60 Ca -0.02 1.35 -0.01 0.00 0.00 0.00 0.00 60.65 61.97 1x5c s ILE 60 Cb 0.01 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 38.12 1x5c s ILE 60 CO 0.16 -0.65 0.02 -0.69 0.00 0.00 0.00 174.94 173.78 1x5c s VAL 61 N 3.79 1.03 0.32 2.92 1.01 -0.42 -4.27 120.40 124.77 1x5c s VAL 61 Ca 0.43 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1x5c s VAL 61 Cb -0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 1x5c s VAL 61 CO 0.21 -0.30 1.02 -0.63 0.00 0.00 0.00 175.10 175.40 1x5c s ILE 62 N 1.60 3.82 0.03 2.22 -1.09 -1.26 -1.83 121.20 124.69 1x5c s ILE 62 Ca 0.00 1.63 -0.16 0.00 -2.23 0.00 0.00 60.65 59.89 1x5c s ILE 62 Cb -0.18 -3.96 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1x5c s ILE 62 CO -0.11 0.24 0.35 0.00 -1.23 0.00 0.00 174.94 174.18 1x5c s ALA 63 N -1.41 -0.83 0.03 9.38 0.00 -0.69 -2.16 121.76 126.08 1x5c s ALA 63 Ca 0.49 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1x5c s ALA 63 Cb -0.25 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1x5c s ALA 63 CO 0.32 -0.40 -0.15 -1.59 0.00 0.00 0.00 175.76 173.94 1x5c s LYS 64 N -2.29 1.05 0.01 0.00 -2.85 0.11 -1.90 119.74 113.87 1x5c s LYS 64 Ca -0.07 -0.73 -0.02 0.00 -1.00 0.00 0.00 55.97 54.15 1x5c s LYS 64 Cb -0.02 -1.06 -0.01 0.00 -2.06 0.00 0.00 37.83 34.68 1x5c s LYS 64 CO -0.01 0.27 0.01 1.41 0.10 0.00 0.00 175.35 177.13 1x5c s MET 65 N -0.98 0.30 -0.55 1.78 1.75 -0.95 -0.60 119.30 120.05 1x5c s MET 65 Ca 0.03 -0.45 -0.18 0.00 -1.25 0.00 0.00 55.69 53.84 1x5c s MET 65 Cb -0.07 0.11 0.09 0.00 2.84 0.00 0.00 34.83 37.80 1x5c s MET 65 CO 0.01 -0.05 0.61 0.34 -0.65 0.00 0.00 175.02 175.27 1x5c s ASP 66 N -1.18 6.19 0.56 1.11 -1.08 -1.26 -2.61 116.67 118.40 1x5c s ASP 66 Ca -0.13 -1.37 0.32 0.00 -0.52 0.00 0.00 52.55 50.85 1x5c s ASP 66 Cb -0.08 -2.27 1.66 0.00 -1.46 0.00 0.00 42.92 40.78 1x5c s ASP 66 CO -0.00 -0.96 2.13 -1.28 0.52 0.00 0.00 175.17 175.58 1x5c h SER 67 N 9.03 0.00 1.37 -0.34 0.87 -1.69 0.91 113.55 123.70 1x5c h SER 67 Ca -0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1x5c h SER 67 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1x5c h SER 67 CO 1.03 0.07 -0.65 0.71 -0.53 0.00 0.00 176.83 177.46 1x5c h THR 68 N 0.00 0.48 0.00 2.23 1.35 -1.91 -3.31 112.91 111.75 1x5c h THR 68 Ca -0.00 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1x5c h THR 68 Cb 0.27 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1x5c h THR 68 CO 0.01 0.28 -0.86 0.00 -0.25 0.00 0.00 175.52 174.69 1x5c n ALA 69 N -2.23 3.68 -3.72 6.62 0.00 -0.60 -4.94 120.51 119.33 1x5c n ALA 69 Ca -0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1x5c n ALA 69 Cb 0.69 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.61 0.26 -0.06 0.00 0.01 0.30 -4.88 114.94 107.97 1x5c s ASN 70 Ca 0.04 0.29 0.03 0.00 -0.71 0.00 0.00 52.86 52.51 1x5c s ASN 70 Cb 0.11 0.20 -0.03 0.00 0.41 0.00 0.00 41.25 41.94 1x5c s ASN 70 CO 0.60 -0.19 -0.12 -0.70 -1.51 0.00 0.00 177.10 175.19 1x5c s GLU 71 N 1.62 2.58 -0.05 -0.60 2.12 -1.26 -4.06 118.70 119.06 1x5c s GLU 71 Ca -0.04 -0.64 -0.08 0.00 0.36 0.00 0.00 54.97 54.56 1x5c s GLU 71 Cb -0.12 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.84 1x5c s GLU 71 CO -0.06 0.64 0.21 0.14 -0.54 0.00 0.00 175.26 175.65 1x5c s VAL 72 N -0.76 0.03 0.02 3.70 -7.23 -1.26 -4.92 120.40 109.98 1x5c s VAL 72 Ca 0.12 -0.25 0.10 0.00 -1.81 0.00 0.00 61.98 60.14 1x5c s VAL 72 Cb -0.11 -0.39 -0.12 0.00 0.56 0.00 0.00 36.38 36.33 1x5c s VAL 72 CO 0.01 -0.14 1.31 1.05 -0.31 0.00 0.00 175.10 177.02 1x5c h GLU 73 N 5.14 0.00 0.00 4.82 4.11 -2.01 -3.20 114.58 123.44 1x5c h GLU 73 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1x5c h GLU 73 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1x5c h GLU 73 CO 0.38 0.81 0.00 0.00 0.07 0.00 0.00 179.01 180.27 1x5c h ALA 74 N 1.17 1.00 -2.08 1.06 0.00 -2.01 -3.38 119.26 115.02 1x5c h ALA 74 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1x5c h ALA 74 Cb 1.65 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 19.13 1x5c h ALA 74 CO 0.11 0.00 -0.50 0.08 0.00 0.00 0.00 179.25 178.93 1x5c s VAL 75 N -3.60 -0.54 -0.22 0.00 1.01 -1.21 -5.01 120.40 110.83 1x5c s VAL 75 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1x5c s VAL 75 Cb 0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1x5c s VAL 75 CO 0.25 -0.12 0.43 -0.54 0.00 0.00 0.00 175.10 175.11 1x5c s LYS 76 N 2.50 4.13 -0.20 2.72 -0.14 -1.26 -4.51 119.74 122.99 1x5c s LYS 76 Ca 0.10 0.22 0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1x5c s LYS 76 Cb -0.15 -3.58 0.04 0.00 -1.68 0.00 0.00 37.83 32.46 1x5c s LYS 76 CO -0.15 -0.14 -0.13 0.08 -0.76 0.00 0.00 175.35 174.26 1x5c s VAL 77 N 1.62 1.79 -0.27 3.17 1.01 -1.26 -4.98 120.40 121.48 1x5c s VAL 77 Ca 0.19 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.24 1x5c s VAL 77 Cb -0.15 -1.80 0.52 0.00 0.00 0.00 0.00 36.38 34.95 1x5c s VAL 77 CO 0.09 0.25 1.47 1.41 0.00 0.00 0.00 175.10 178.32 1x5c n HIS 78 N 4.65 1.13 -3.63 5.22 -0.00 -1.26 -5.01 115.22 116.32 1x5c n HIS 78 Ca -0.16 -1.43 -0.01 0.00 -0.00 0.00 0.00 57.72 56.12 1x5c n HIS 78 Cb 0.47 -0.47 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5c s SER 79 N -2.34 -0.11 -0.03 0.41 1.04 -1.26 -5.19 113.70 106.23 1x5c s SER 79 Ca 0.44 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 1x5c s SER 79 Cb 0.39 0.22 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1x5c s SER 79 CO 0.03 -0.40 0.69 -0.36 0.98 0.00 0.00 173.24 174.17 1x5c s PHE 80 N -2.60 -0.62 0.46 5.02 0.08 -1.26 -4.12 117.98 114.93 1x5c s PHE 80 Ca 0.12 0.98 -0.23 0.00 0.12 0.00 0.00 56.93 57.93 1x5c s PHE 80 Cb 0.02 0.43 -0.07 0.00 -0.57 0.00 0.00 43.02 42.83 1x5c s PHE 80 CO -0.03 -0.62 1.17 -1.25 -0.10 0.00 0.00 175.22 174.38 1x5c s PRO 81 N -1.55 3.75 -0.08 0.24 0.04 -1.26 -4.92 135.00 131.23 1x5c s PRO 81 Ca -0.09 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1x5c s PRO 81 Cb -0.00 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1x5c s PRO 81 CO 0.06 -0.56 -0.18 0.99 0.04 0.00 0.00 177.00 177.36 1x5c s THR 82 N -1.55 1.54 -0.02 1.26 2.01 0.51 -5.02 115.64 114.38 1x5c s THR 82 Ca 0.64 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1x5c s THR 82 Cb -0.29 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1x5c s THR 82 CO 0.35 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.77 1x5c s LEU 83 N 0.47 2.45 -0.07 4.42 1.43 -1.26 0.13 118.68 126.25 1x5c s LEU 83 Ca -0.15 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1x5c s LEU 83 Cb -0.16 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1x5c s LEU 83 CO 0.06 0.32 0.14 -0.54 0.23 0.00 0.00 176.35 176.56 1x5c s LYS 84 N -0.79 0.05 -0.09 1.70 1.02 -0.97 -3.23 119.74 117.42 1x5c s LYS 84 Ca 0.11 0.44 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 1x5c s LYS 84 Cb -0.10 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.91 1x5c s LYS 84 CO 0.01 -0.24 0.43 0.12 -0.92 0.00 0.00 175.35 174.75 1x5c s PHE 85 N 1.71 3.57 -0.39 3.18 2.19 0.34 -1.85 117.98 126.72 1x5c s PHE 85 Ca -0.03 0.88 -0.07 0.00 0.33 0.00 0.00 56.93 58.04 1x5c s PHE 85 Cb -0.12 -2.45 0.08 0.00 -1.31 0.00 0.00 43.02 39.22 1x5c s PHE 85 CO -0.05 0.32 0.20 -0.06 1.83 0.00 0.00 175.22 177.45 1x5c s PHE 86 N 0.10 3.38 0.87 10.12 0.08 0.11 0.08 117.98 132.73 1x5c s PHE 86 Ca 0.24 -1.76 -0.11 0.00 0.12 0.00 0.00 56.93 55.42 1x5c s PHE 86 Cb -0.15 -2.85 0.12 0.00 -0.57 0.00 0.00 43.02 39.56 1x5c s PHE 86 CO 0.10 -0.86 1.09 -1.25 -0.10 0.00 0.00 175.22 174.20 1x5c s PRO 87 N 1.34 1.44 -1.26 0.24 0.04 -1.26 -1.65 135.00 133.89 1x5c s PRO 87 Ca 0.03 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 1x5c s PRO 87 Cb -0.22 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1x5c s PRO 87 CO 0.00 -2.13 2.37 0.00 0.04 0.00 0.00 177.00 177.29 1x5c n ALA 88 N -3.82 5.57 -2.36 8.56 0.00 -1.26 -4.80 120.51 122.41 1x5c n ALA 88 Ca 0.07 -3.23 -0.30 0.00 0.00 0.00 0.00 53.44 49.99 1x5c n ALA 88 Cb 0.55 -3.38 -0.15 0.00 0.00 0.00 0.00 19.45 16.47 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 3.26 3.11 -0.07 0.00 0.15 -1.26 -4.09 113.70 114.80 1x5c s SER 89 Ca 0.54 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1x5c s SER 89 Cb 0.14 -0.28 0.27 0.00 -1.71 0.00 0.00 66.02 64.44 1x5c s SER 89 CO -0.03 0.25 0.93 0.00 1.20 0.00 0.00 173.24 175.59 1x5c n ALA 90 N 1.75 2.92 -1.74 5.45 0.00 -1.26 -3.80 120.51 123.83 1x5c n ALA 90 Ca -0.17 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.58 1x5c n ALA 90 Cb 0.52 -1.04 0.13 0.00 0.00 0.00 0.00 19.45 19.07 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 0.21 3.14 -3.72 0.00 9.92 -1.26 -4.97 116.55 119.87 1x5c n ASP 91 Ca 0.09 -3.84 -0.22 0.00 -0.53 0.00 0.00 54.79 50.29 1x5c n ASP 91 Cb 0.54 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.96 -0.82 -3.00 -1.24 1.85 -1.25 -4.85 116.66 106.39 1x5c n ARG 92 Ca 0.31 -0.03 -0.32 0.00 -1.00 0.00 0.00 57.85 56.81 1x5c n ARG 92 Cb 0.83 -1.77 -0.06 0.00 -1.05 0.00 0.00 32.46 30.41 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 -3.93 4.63 -0.01 8.89 2.01 -1.26 -5.09 115.64 120.87 1x5c s THR 93 Ca 0.10 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1x5c s THR 93 Cb -0.06 -3.63 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 1x5c s THR 93 CO 0.59 -0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 1x5c s VAL 94 N -2.10 0.70 -0.11 3.82 1.01 -1.26 -4.21 120.40 118.25 1x5c s VAL 94 Ca 0.56 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1x5c s VAL 94 Cb -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1x5c s VAL 94 CO 0.19 0.21 -0.13 -0.63 0.00 0.00 0.00 175.10 174.74 1x5c s ILE 95 N -0.02 3.11 0.11 2.22 1.01 0.11 -4.96 121.20 122.78 1x5c s ILE 95 Ca 0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1x5c s ILE 95 Cb -0.06 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1x5c s ILE 95 CO -0.00 0.54 1.00 -1.81 0.00 0.00 0.00 174.94 174.68 1x5c s ASP 96 N 0.04 7.42 -0.43 3.58 1.11 -1.26 -0.50 116.67 126.62 1x5c s ASP 96 Ca -0.04 1.86 -0.15 0.00 0.18 0.00 0.00 52.55 54.39 1x5c s ASP 96 Cb -0.14 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.29 1x5c s ASP 96 CO 0.04 -0.14 0.33 -0.47 1.18 0.00 0.00 175.17 176.12 1x5c s TYR 97 N 0.09 3.24 -0.61 4.23 6.14 -1.20 -4.59 117.35 124.66 1x5c s TYR 97 Ca 0.48 -0.70 0.06 0.00 0.64 0.00 0.00 57.07 57.55 1x5c s TYR 97 Cb -0.25 -2.78 0.22 0.00 0.42 0.00 0.00 41.96 39.57 1x5c s TYR 97 CO 0.31 -0.66 0.62 0.27 0.64 0.00 0.00 175.55 176.73 1x5c n ASN 98 N 5.17 2.77 0.00 4.32 0.23 -1.26 -4.78 115.26 121.72 1x5c n ASN 98 Ca -0.11 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.73 1x5c n ASN 98 Cb 0.46 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x5c n GLY 99 N 1.38 5.39 0.20 4.83 0.00 -1.26 -5.02 105.19 110.70 1x5c n GLY 99 Ca 0.26 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.21 1.61 4.11 -1.97 -3.47 114.58 110.65 1x5c h GLU 100 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 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 0.32 -0.46 -2.13 0.07 0.00 0.00 179.01 176.81 1x5c n ARG 101 N -4.11 -4.69 -4.53 1.06 0.63 -1.26 -5.04 116.66 98.72 1x5c n ARG 101 Ca -0.02 0.54 -0.25 0.00 -0.92 0.00 0.00 57.85 57.20 1x5c n ARG 101 Cb 0.37 -4.66 -0.11 0.00 0.45 0.00 0.00 32.46 28.51 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 -3.22 1.67 0.15 5.15 -4.23 -1.26 -5.00 115.64 108.90 1x5c s THR 102 Ca 0.19 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1x5c s THR 102 Cb -0.08 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1x5c s THR 102 CO 0.47 -0.04 1.74 0.25 -0.54 0.00 0.00 174.62 176.50 1x5c h LEU 103 N 1.96 0.05 -0.41 4.79 5.85 -1.97 0.36 115.31 125.95 1x5c h LEU 103 Ca -0.42 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.16 1x5c h LEU 103 Cb 1.24 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1x5c h LEU 103 CO 0.75 0.06 -0.78 0.44 -0.34 0.00 0.00 178.44 178.57 1x5c h ASP 104 N 0.19 0.26 -0.04 1.25 5.19 -1.96 -3.19 116.42 118.11 1x5c h ASP 104 Ca 0.14 -0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1x5c h ASP 104 Cb 0.13 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1x5c h ASP 104 CO -0.17 0.94 -0.17 1.23 -3.12 0.00 0.00 179.24 177.95 1x5c h GLY 105 N 1.73 0.43 0.87 2.75 0.00 -1.82 -3.00 103.07 104.03 1x5c h GLY 105 Ca -0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1x5c h GLY 105 CO 0.12 0.28 -0.01 0.74 0.00 0.00 0.00 176.54 177.66 1x5c h PHE 106 N 0.36 0.55 -0.96 5.60 0.04 -0.93 -2.88 116.94 118.72 1x5c h PHE 106 Ca 0.06 -0.10 0.13 0.00 2.80 0.00 0.00 57.97 60.87 1x5c h PHE 106 Cb 0.52 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.44 1x5c h PHE 106 CO 0.01 0.66 0.59 0.87 -0.60 0.00 0.00 178.31 179.84 1x5c h LYS 107 N 0.29 0.86 -0.47 1.51 1.57 -1.55 0.21 116.57 119.00 1x5c h LYS 107 Ca 0.08 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1x5c h LYS 107 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1x5c h LYS 107 CO 0.02 0.57 0.05 0.87 -0.57 0.00 0.00 179.45 180.39 1x5c h LYS 108 N 0.89 0.73 -0.05 3.15 1.57 -1.44 0.31 116.57 121.73 1x5c h LYS 108 Ca 0.50 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1x5c h LYS 108 Cb 0.57 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1x5c h LYS 108 CO -0.30 0.71 -0.51 0.35 -0.57 0.00 0.00 179.45 179.13 1x5c h PHE 109 N 0.70 0.62 0.50 -1.35 3.04 -0.79 -3.23 116.94 116.43 1x5c h PHE 109 Ca 0.15 -0.30 -0.02 0.00 3.98 0.00 0.00 57.97 61.77 1x5c h PHE 109 Cb 0.35 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1x5c h PHE 109 CO 0.02 1.09 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.09 1x5c h LEU 110 N -0.03 -0.56 -1.17 0.59 3.38 -0.55 -0.11 115.31 116.87 1x5c h LEU 110 Ca -0.05 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.35 1x5c h LEU 110 Cb 1.19 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 1x5c h LEU 110 CO 0.10 -0.18 0.74 -0.62 0.09 0.00 0.00 178.44 178.57 1x5c n GLU 111 N -5.03 -0.03 0.12 1.13 1.02 0.11 0.21 120.64 118.16 1x5c n GLU 111 Ca -0.08 1.11 -0.24 0.00 -0.02 0.00 0.00 57.16 57.93 1x5c n GLU 111 Cb 0.26 -2.16 -0.15 0.00 -0.02 0.00 0.00 31.44 29.37 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 0.81 0.00 1.62 0.02 -1.56 -3.49 113.55 110.96 1x5c h SER 112 Ca 0.77 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1x5c h SER 112 Cb 2.43 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1x5c h SER 112 CO -0.44 1.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 1x5c n GLY 113 N 1.62 1.88 3.57 -3.77 0.00 0.57 -4.66 105.19 104.40 1x5c n GLY 113 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 -0.42 0.17 -0.02 0.00 -0.12 -4.89 105.19 99.53 1x5c n GLY 114 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.17 0.00 -7.41 1.61 3.07 -1.83 -3.44 115.11 104.94 1x5c h GLN 115 Ca -0.59 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 57.67 1x5c h GLN 115 Cb 1.36 0.00 0.12 0.00 0.08 0.00 0.00 27.48 29.04 1x5c h GLN 115 CO 0.54 0.45 0.31 0.45 0.09 0.00 0.00 178.83 180.67 1x5c s SER 116 N -6.86 4.08 0.00 0.06 0.15 -1.26 -4.93 113.70 104.95 1x5c s SER 116 Ca -0.02 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1x5c s SER 116 Cb 0.14 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1x5c s SER 116 CO 0.73 -2.23 0.00 0.61 1.20 0.00 0.00 173.24 173.56 1x5c n GLY 117 N -1.91 0.46 3.75 9.45 0.00 -1.26 -4.85 105.19 110.84 1x5c n GLY 117 Ca 0.07 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.03 4.44 0.07 1.61 0.04 -1.26 -4.95 135.00 134.92 1x5c s PRO 118 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x5c s PRO 118 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1x5c s PRO 118 CO 0.00 -0.11 0.00 0.43 0.04 0.00 0.00 177.00 177.36 1x5c n SER 119 N 1.60 0.58 -4.48 6.66 7.64 -1.26 -4.93 113.62 119.43 1x5c n SER 119 Ca 0.02 0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1x5c n SER 119 Cb 0.43 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 1x5c n SER 119 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5c s SER 120 N -5.52 6.60 0.00 6.43 0.15 -1.26 -5.31 113.70 114.79 1x5c s SER 120 Ca 0.00 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1x5c s SER 120 Cb 0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1x5c s SER 120 CO 0.00 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.88