#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c s SER 2 N 0.00 -0.14 -0.21 1.61 0.01 -1.26 -5.10 113.70 108.61 1x5c s SER 2 Ca 0.00 -0.84 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 1x5c s SER 2 Cb 0.00 0.78 -0.08 0.00 0.21 0.00 0.00 66.02 66.93 1x5c s SER 2 CO 0.00 -1.50 -0.32 -0.24 0.41 0.00 0.00 173.24 171.60 1x5c n SER 3 N -0.87 1.93 -0.12 2.44 2.88 -1.26 -5.12 113.62 113.51 1x5c n SER 3 Ca -0.06 0.36 0.01 0.00 -1.33 0.00 0.00 58.87 57.85 1x5c n SER 3 Cb 0.59 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5c n GLY 4 N 1.40 -2.46 3.64 0.46 0.00 -1.26 -4.94 105.19 102.04 1x5c n GLY 4 Ca -0.28 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -4.57 5.46 -0.43 1.61 0.01 -1.26 -5.00 113.70 109.52 1x5c s SER 5 Ca 0.00 0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 1x5c s SER 5 Cb 0.00 -1.82 0.19 0.00 0.21 0.00 0.00 66.02 64.60 1x5c s SER 5 CO 0.00 0.24 2.30 -1.20 0.41 0.00 0.00 173.24 174.99 1x5c n SER 6 N 3.06 6.66 0.00 2.44 7.64 -1.26 -5.01 113.62 127.14 1x5c n SER 6 Ca -0.17 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1x5c n SER 6 Cb 0.53 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1x5c n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5c n GLY 7 N 0.36 0.62 0.08 0.23 0.00 -1.26 -4.10 105.19 101.12 1x5c n GLY 7 Ca 0.42 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.06 -6.01 1.61 0.13 -1.89 -3.45 132.00 122.33 1x5c h PRO 8 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1x5c h PRO 8 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.88 1x5c h PRO 8 CO 0.00 0.40 -0.80 0.54 -0.23 0.00 0.00 178.00 177.92 1x5c s VAL 9 N -4.21 2.82 0.50 1.56 0.11 -1.26 -3.27 120.40 116.64 1x5c s VAL 9 Ca -0.15 -0.79 -0.21 0.00 -2.93 0.00 0.00 61.98 57.89 1x5c s VAL 9 Cb 0.02 -2.11 -0.07 0.00 -1.53 0.00 0.00 36.38 32.69 1x5c s VAL 9 CO 0.64 0.57 1.14 -0.75 -3.33 0.00 0.00 175.10 173.37 1x5c s LYS 10 N -0.33 3.59 -0.31 1.54 2.36 -0.77 -4.84 119.74 120.98 1x5c s LYS 10 Ca 0.03 1.68 -0.04 0.00 -2.55 0.00 0.00 55.97 55.08 1x5c s LYS 10 Cb -0.13 -2.22 0.04 0.00 -1.05 0.00 0.00 37.83 34.48 1x5c s LYS 10 CO 0.02 -0.67 0.04 0.08 1.55 0.00 0.00 175.35 176.38 1x5c s VAL 11 N -1.66 3.37 0.27 4.02 1.01 -1.26 -0.02 120.40 126.12 1x5c s VAL 11 Ca 0.68 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1x5c s VAL 11 Cb -0.26 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 1x5c s VAL 11 CO 0.30 -0.11 0.61 -0.76 0.00 0.00 0.00 175.10 175.15 1x5c s LEU 12 N 1.33 4.10 0.25 3.92 1.43 -0.02 -4.95 118.68 124.74 1x5c s LEU 12 Ca -0.03 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 1x5c s LEU 12 Cb -0.19 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 1x5c s LEU 12 CO 0.01 -0.14 -0.07 0.68 0.23 0.00 0.00 176.35 177.05 1x5c s VAL 13 N -1.93 1.55 -2.00 -1.59 -7.23 -1.26 -4.54 120.40 103.40 1x5c s VAL 13 Ca 0.49 -2.13 0.15 0.00 -1.81 0.00 0.00 61.98 58.68 1x5c s VAL 13 Cb -0.11 -2.31 0.42 0.00 0.56 0.00 0.00 36.38 34.94 1x5c s VAL 13 CO 0.22 -0.39 1.30 0.61 -0.31 0.00 0.00 175.10 176.52 1x5c n GLY 14 N -0.49 -0.52 0.12 2.32 0.00 -1.26 0.71 105.19 106.08 1x5c n GLY 14 Ca -0.06 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.94 0.61 -0.79 1.61 3.00 -1.26 -4.60 118.16 115.78 1x5c n LYS 15 Ca 0.11 0.42 0.05 0.00 -0.00 0.00 0.00 58.31 58.89 1x5c n LYS 15 Cb 0.05 -1.67 0.13 0.00 0.00 0.00 0.00 35.03 33.54 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x5c n ASN 16 N -4.14 1.44 0.03 3.14 6.94 -1.15 -4.89 115.26 116.63 1x5c n ASN 16 Ca -0.38 -3.06 -0.05 0.00 -0.02 0.00 0.00 54.58 51.07 1x5c n ASN 16 Cb 0.82 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.78 -0.46 -0.37 -2.53 3.57 0.04 -0.86 116.94 117.11 1x5c h PHE 17 Ca -0.07 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1x5c h PHE 17 Cb 1.31 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1x5c h PHE 17 CO 0.43 -0.18 0.25 0.93 -2.23 0.00 0.00 178.31 177.51 1x5c h GLU 18 N -0.22 0.34 -0.73 1.11 5.08 -1.90 0.63 114.58 118.88 1x5c h GLU 18 Ca -0.00 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1x5c h GLU 18 Cb 0.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1x5c h GLU 18 CO -0.09 0.23 0.48 0.22 -1.00 0.00 0.00 179.01 178.85 1x5c h ASP 19 N 0.35 0.69 0.00 1.42 3.58 -1.65 -1.84 116.42 118.97 1x5c h ASP 19 Ca 0.15 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1x5c h ASP 19 Cb 0.17 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1x5c h ASP 19 CO -0.03 0.46 -1.02 0.52 -2.88 0.00 0.00 179.24 176.28 1x5c n VAL 20 N -4.47 1.50 -0.02 2.25 0.31 -0.40 -4.71 118.33 112.79 1x5c n VAL 20 Ca 0.10 0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1x5c n VAL 20 Cb 0.20 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 30.73 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 -1.00 -0.68 -0.60 3.52 0.00 0.10 -3.23 119.26 117.37 1x5c h ALA 21 Ca -0.01 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.47 1x5c h ALA 21 Cb 1.01 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1x5c h ALA 21 CO -0.01 -0.81 1.23 -0.06 0.00 0.00 0.00 179.25 179.61 1x5c s PHE 22 N -4.58 2.10 -0.20 0.00 0.08 -0.69 -4.67 117.98 110.02 1x5c s PHE 22 Ca -0.09 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1x5c s PHE 22 Cb 0.04 -4.17 0.03 0.00 -0.57 0.00 0.00 43.02 38.36 1x5c s PHE 22 CO 0.36 -1.42 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.37 1x5c s ASP 23 N 6.27 3.41 0.71 1.36 1.11 -1.22 -4.71 116.67 123.60 1x5c s ASP 23 Ca 0.65 -0.81 -0.16 0.00 0.18 0.00 0.00 52.55 52.41 1x5c s ASP 23 Cb -0.01 -1.48 0.03 0.00 1.07 0.00 0.00 42.92 42.53 1x5c s ASP 23 CO 0.09 -0.05 1.21 -1.83 1.18 0.00 0.00 175.17 175.77 1x5c s GLU 24 N 1.26 2.29 -1.59 8.23 -1.05 -1.26 -2.79 118.70 123.78 1x5c s GLU 24 Ca 0.02 1.76 -0.01 0.00 -0.15 0.00 0.00 54.97 56.59 1x5c s GLU 24 Cb -0.15 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.70 1x5c s GLU 24 CO -0.11 -1.72 0.06 1.63 0.95 0.00 0.00 175.26 176.07 1x5c n LYS 25 N -2.54 -2.12 -3.66 -4.83 4.76 -1.26 -4.95 118.16 103.57 1x5c n LYS 25 Ca 0.13 0.90 -0.07 0.00 -2.87 0.00 0.00 58.31 56.41 1x5c n LYS 25 Cb 0.50 -5.57 -0.08 0.00 -1.84 0.00 0.00 35.03 28.04 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 -5.12 0.52 -0.80 1.97 2.47 -1.12 -4.94 119.74 112.72 1x5c s LYS 26 Ca 0.03 1.13 -0.20 0.00 -1.56 0.00 0.00 55.97 55.37 1x5c s LYS 26 Cb -0.02 0.31 0.10 0.00 -1.46 0.00 0.00 37.83 36.77 1x5c s LYS 26 CO 0.04 -0.19 1.03 -0.80 0.16 0.00 0.00 175.35 175.60 1x5c s ASN 27 N 2.09 6.41 -0.22 1.43 0.01 0.27 -4.11 114.94 120.82 1x5c s ASN 27 Ca -0.07 -1.58 -0.11 0.00 -0.71 0.00 0.00 52.86 50.39 1x5c s ASN 27 Cb -0.09 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 1x5c s ASN 27 CO -0.16 -1.22 0.18 -0.69 -1.51 0.00 0.00 177.10 173.69 1x5c s VAL 28 N 3.25 5.36 -0.48 1.60 1.01 -0.77 -1.24 120.40 129.12 1x5c s VAL 28 Ca 0.27 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 1x5c s VAL 28 Cb -0.11 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.87 1x5c s VAL 28 CO -0.01 0.37 0.35 0.12 0.00 0.00 0.00 175.10 175.94 1x5c s PHE 29 N 0.83 3.42 0.58 5.22 5.36 -0.45 -0.39 117.98 132.56 1x5c s PHE 29 Ca 0.09 -1.86 -0.09 0.00 -0.96 0.00 0.00 56.93 54.11 1x5c s PHE 29 Cb -0.13 -3.51 -0.03 0.00 -0.34 0.00 0.00 43.02 39.01 1x5c s PHE 29 CO 0.03 -1.00 0.95 0.08 -1.46 0.00 0.00 175.22 173.82 1x5c s VAL 30 N 1.36 4.59 -0.23 3.12 1.01 -0.79 -1.80 120.40 127.66 1x5c s VAL 30 Ca 0.06 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1x5c s VAL 30 Cb -0.26 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1x5c s VAL 30 CO -0.01 -0.97 0.11 -0.70 0.00 0.00 0.00 175.10 173.53 1x5c s GLU 31 N -5.05 0.13 -0.76 2.72 2.12 -0.69 -2.49 118.70 114.67 1x5c s GLU 31 Ca 0.53 -0.30 -0.24 0.00 0.36 0.00 0.00 54.97 55.31 1x5c s GLU 31 Cb -0.11 -1.50 0.05 0.00 0.26 0.00 0.00 34.13 32.84 1x5c s GLU 31 CO 0.50 -0.84 1.18 -0.06 -0.54 0.00 0.00 175.26 175.50 1x5c s PHE 32 N 2.12 2.51 0.47 5.30 0.08 0.38 -2.06 117.98 126.79 1x5c s PHE 32 Ca 0.05 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 56.76 1x5c s PHE 32 Cb -0.16 -4.49 0.01 0.00 -0.57 0.00 0.00 43.02 37.81 1x5c s PHE 32 CO -0.23 -1.87 0.46 1.52 -0.10 0.00 0.00 175.22 175.00 1x5c s TYR 33 N 4.84 2.27 -0.04 0.36 -0.85 -1.09 -0.06 117.35 122.77 1x5c s TYR 33 Ca 0.32 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 1x5c s TYR 33 Cb -0.10 -2.13 -0.00 0.00 0.38 0.00 0.00 41.96 40.11 1x5c s TYR 33 CO 0.09 -0.38 -0.15 0.00 -1.52 0.00 0.00 175.55 173.58 1x5c s ALA 34 N -2.56 1.36 -1.55 9.51 0.00 -1.26 -3.23 121.76 124.02 1x5c s ALA 34 Ca 0.47 -0.59 0.15 0.00 0.00 0.00 0.00 51.96 52.00 1x5c s ALA 34 Cb -0.04 -0.47 0.78 0.00 0.00 0.00 0.00 23.12 23.39 1x5c s ALA 34 CO 0.28 0.23 1.39 -0.35 0.00 0.00 0.00 175.76 177.32 1x5c n PRO 35 N 3.24 0.27 0.00 0.00 -0.04 -1.26 -2.35 135.00 134.85 1x5c n PRO 35 Ca -0.19 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.22 0.00 -2.41 0.54 4.27 -1.26 -5.03 117.44 112.32 1x5c n TRP 36 Ca 0.08 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 1x5c n TRP 36 Cb 0.10 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.02 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 5.47 -0.16 -1.36 0.00 0.00 -1.94 -3.11 103.07 101.98 1x5c h GLY 38 Ca -0.44 0.06 0.41 0.00 0.00 0.00 0.00 47.33 47.36 1x5c h GLY 38 CO 0.75 -0.06 1.28 0.84 0.00 0.00 0.00 176.54 179.35 1x5c h HIS 39 N -0.22 0.00 0.03 5.60 -0.00 -1.94 0.75 115.15 119.37 1x5c h HIS 39 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1x5c h HIS 39 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1x5c h HIS 39 CO 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 177.93 178.03 1x5c h LYS 41 N -0.33 0.00 0.00 0.00 1.57 0.57 1.36 116.57 119.74 1x5c h LYS 41 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1x5c h LYS 41 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1x5c h LYS 41 CO 0.01 0.00 -1.50 1.04 -0.57 0.00 0.00 179.45 178.42 1x5c n GLN 42 N -3.21 0.63 0.15 3.15 1.13 -1.02 -3.93 117.38 114.28 1x5c n GLN 42 Ca 0.08 0.19 0.12 0.00 -1.94 0.00 0.00 57.00 55.46 1x5c n GLN 42 Cb 0.86 -1.78 0.26 0.00 0.11 0.00 0.00 30.24 29.70 1x5c n GLN 42 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1x5c h LEU 43 N 0.00 0.00 -0.07 1.08 5.85 0.21 -3.31 115.31 119.07 1x5c h LEU 43 Ca -0.18 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1x5c h LEU 43 Cb 1.60 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 1x5c h LEU 43 CO 0.04 0.01 -0.29 0.00 -0.34 0.00 0.00 178.44 177.86 1x5c h ALA 44 N 2.28 -0.37 -0.15 1.25 0.00 -1.22 0.53 119.26 121.58 1x5c h ALA 44 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x5c h ALA 44 Cb 0.86 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1x5c h ALA 44 CO 0.00 -0.78 -0.15 -1.00 0.00 0.00 0.00 179.25 177.31 1x5c h PRO 45 N -0.40 0.38 -0.96 0.00 0.13 -1.80 -1.70 132.00 127.64 1x5c h PRO 45 Ca 0.08 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1x5c h PRO 45 Cb 0.52 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.61 1x5c h PRO 45 CO -0.29 0.76 0.64 0.82 -0.23 0.00 0.00 178.00 179.69 1x5c h ILE 46 N 0.01 1.25 -0.14 -3.56 2.04 -1.61 0.22 117.51 115.72 1x5c h ILE 46 Ca 0.02 -0.45 -0.17 0.00 1.00 0.00 0.00 64.86 65.26 1x5c h ILE 46 Cb 0.69 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1x5c h ILE 46 CO 0.04 0.24 -0.64 -0.25 0.00 0.00 0.00 178.15 177.54 1x5c h TRP 47 N 1.31 0.65 0.00 1.37 2.91 0.06 -2.51 115.95 119.73 1x5c h TRP 47 Ca 0.35 -0.26 -0.13 0.00 1.13 0.00 0.00 58.89 59.99 1x5c h TRP 47 Cb -0.15 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.37 1x5c h TRP 47 CO -0.00 1.00 -0.60 0.22 -1.03 0.00 0.00 178.44 178.03 1x5c h ASP 48 N 0.37 0.00 0.94 2.65 1.82 -0.72 -1.92 116.42 119.55 1x5c h ASP 48 Ca -0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.48 1x5c h ASP 48 Cb 1.20 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 1x5c h ASP 48 CO 0.12 0.60 -0.69 0.11 -1.61 0.00 0.00 179.24 177.77 1x5c h LYS 49 N 0.00 0.00 0.10 0.28 1.57 -0.50 -3.11 116.57 114.91 1x5c h LYS 49 Ca -0.01 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1x5c h LYS 49 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1x5c h LYS 49 CO 0.08 0.69 -1.42 1.25 -0.57 0.00 0.00 179.45 179.48 1x5c h LEU 50 N 0.00 0.34 -0.89 2.94 5.85 -1.35 -3.32 115.31 118.88 1x5c h LEU 50 Ca -0.01 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 1x5c h LEU 50 Cb 1.35 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1x5c h LEU 50 CO 0.09 1.36 0.33 1.23 -0.34 0.00 0.00 178.44 181.11 1x5c h GLY 51 N 1.90 1.22 2.00 3.75 0.00 -1.38 -2.03 103.07 108.53 1x5c h GLY 51 Ca -0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 1x5c h GLY 51 CO 0.16 0.60 -0.13 1.05 0.00 0.00 0.00 176.54 178.22 1x5c h GLU 52 N 1.12 0.00 -0.05 4.80 4.11 -1.52 0.22 114.58 123.26 1x5c h GLU 52 Ca 0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.51 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 0.13 -0.76 1.15 0.07 0.00 0.00 179.01 179.58 1x5c h THR 53 N 0.00 1.41 -0.01 -1.06 2.02 -1.46 -3.27 112.91 110.54 1x5c h THR 53 Ca -0.00 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 1x5c h THR 53 Cb 0.42 2.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1x5c h THR 53 CO 0.02 0.67 -0.49 -1.22 0.37 0.00 0.00 175.52 174.87 1x5c n TYR 54 N -3.79 0.02 0.11 3.16 4.02 -0.95 -4.69 117.16 115.05 1x5c n TYR 54 Ca -0.04 -1.50 -0.03 0.00 -0.01 0.00 0.00 57.90 56.32 1x5c n TYR 54 Cb 0.72 -0.25 0.07 0.00 -0.02 0.00 0.00 39.34 39.86 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 0.99 0.00 -0.07 -0.72 2.10 -0.62 -3.23 116.57 115.02 1x5c h LYS 55 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1x5c h LYS 55 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1x5c h LYS 55 CO 0.01 0.75 -0.14 -3.47 -2.00 0.00 0.00 179.45 174.59 1x5c n ASP 56 N -3.65 2.40 -3.07 7.07 2.03 -1.26 -5.00 116.55 115.07 1x5c n ASP 56 Ca -0.01 -3.37 -0.13 0.00 0.52 0.00 0.00 54.79 51.80 1x5c n ASP 56 Cb 0.72 -0.49 0.13 0.00 -0.72 0.00 0.00 41.12 40.76 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1x5c n HIS 57 N -1.20 -2.93 -0.10 -0.67 -0.00 -1.22 -5.01 115.22 104.10 1x5c n HIS 57 Ca 0.19 -0.38 -0.15 0.00 0.46 0.00 0.00 57.72 57.85 1x5c n HIS 57 Cb 0.73 -0.54 -0.08 0.00 -0.12 0.00 0.00 29.99 29.98 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 -3.53 0.46 0.00 1.57 0.00 -1.26 -4.77 120.64 113.11 1x5c n GLU 58 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1x5c n GLU 58 Cb 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1x5c n ASN 59 N -3.23 2.37 -4.68 -1.84 0.23 -1.26 -4.98 115.26 101.88 1x5c n ASN 59 Ca -0.35 -0.17 -0.38 0.00 -0.53 0.00 0.00 54.58 53.16 1x5c n ASN 59 Cb 0.84 0.81 -0.08 0.00 -2.08 0.00 0.00 39.78 39.28 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 -1.29 5.23 -0.17 1.53 1.01 -1.26 0.97 121.20 127.23 1x5c s ILE 60 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 1x5c s ILE 60 Cb 0.00 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1x5c s ILE 60 CO 0.00 0.28 0.08 -0.69 0.00 0.00 0.00 174.94 174.60 1x5c s VAL 61 N 1.19 0.01 0.22 2.92 1.01 -0.38 -4.14 120.40 121.23 1x5c s VAL 61 Ca 0.18 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 1x5c s VAL 61 Cb -0.14 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1x5c s VAL 61 CO 0.07 -0.25 0.85 -0.63 0.00 0.00 0.00 175.10 175.15 1x5c s ILE 62 N 2.09 4.27 0.03 2.22 -1.09 -1.26 -1.34 121.20 126.13 1x5c s ILE 62 Ca 0.02 1.80 -0.15 0.00 -2.23 0.00 0.00 60.65 60.09 1x5c s ILE 62 Cb -0.16 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1x5c s ILE 62 CO -0.09 0.42 0.33 0.00 -1.23 0.00 0.00 174.94 174.38 1x5c s ALA 63 N -1.28 -0.78 0.06 9.38 0.00 -0.74 -1.85 121.76 126.55 1x5c s ALA 63 Ca 0.40 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1x5c s ALA 63 Cb -0.23 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1x5c s ALA 63 CO 0.27 -0.38 -0.15 -1.59 0.00 0.00 0.00 175.76 173.91 1x5c s LYS 64 N -2.21 0.93 -0.06 0.00 -2.85 0.97 -1.71 119.74 114.81 1x5c s LYS 64 Ca -0.07 -0.90 -0.08 0.00 -1.00 0.00 0.00 55.97 53.91 1x5c s LYS 64 Cb -0.02 -0.98 0.02 0.00 -2.06 0.00 0.00 37.83 34.79 1x5c s LYS 64 CO -0.01 0.23 0.21 1.41 0.10 0.00 0.00 175.35 177.29 1x5c s MET 65 N -1.50 0.33 -0.68 1.78 1.75 -0.87 -0.84 119.30 119.26 1x5c s MET 65 Ca 0.01 0.14 -0.21 0.00 -1.25 0.00 0.00 55.69 54.38 1x5c s MET 65 Cb -0.09 0.15 0.09 0.00 2.84 0.00 0.00 34.83 37.82 1x5c s MET 65 CO 0.02 -0.06 0.91 -0.51 -0.65 0.00 0.00 175.02 174.73 1x5c s ASP 66 N -0.26 6.26 0.64 1.11 1.01 -1.26 -2.66 116.67 121.51 1x5c s ASP 66 Ca -0.04 -1.31 0.41 0.00 0.71 0.00 0.00 52.55 52.32 1x5c s ASP 66 Cb -0.03 -2.38 2.23 0.00 1.01 0.00 0.00 42.92 43.75 1x5c s ASP 66 CO 0.01 -1.28 2.32 -1.28 0.21 0.00 0.00 175.17 175.15 1x5c h SER 67 N 9.31 0.00 1.39 0.27 0.87 -1.69 1.15 113.55 124.85 1x5c h SER 67 Ca -0.21 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.28 1x5c h SER 67 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1x5c h SER 67 CO 1.14 0.01 -0.63 0.71 -0.53 0.00 0.00 176.83 177.52 1x5c h THR 68 N 0.00 0.40 0.00 2.23 1.35 -1.90 -3.33 112.91 111.66 1x5c h THR 68 Ca -0.00 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1x5c h THR 68 Cb 0.06 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1x5c h THR 68 CO 0.00 0.23 -0.77 0.00 -0.25 0.00 0.00 175.52 174.73 1x5c n ALA 69 N -2.21 3.22 -3.68 6.62 0.00 -0.06 -4.94 120.51 119.46 1x5c n ALA 69 Ca -0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.93 1x5c n ALA 69 Cb 0.66 -0.41 -0.18 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.36 1.15 -0.12 0.00 0.01 0.38 -4.89 114.94 109.11 1x5c s ASN 70 Ca 0.02 0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 52.23 1x5c s ASN 70 Cb 0.08 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 1x5c s ASN 70 CO 0.47 -0.25 -0.05 -0.70 -1.51 0.00 0.00 177.10 175.06 1x5c s GLU 71 N 2.15 3.27 0.00 -0.60 2.12 -1.26 -4.06 118.70 120.32 1x5c s GLU 71 Ca 0.05 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1x5c s GLU 71 Cb -0.12 -2.78 -0.00 0.00 0.26 0.00 0.00 34.13 31.49 1x5c s GLU 71 CO -0.03 0.44 -0.02 0.14 -0.54 0.00 0.00 175.26 175.25 1x5c s VAL 72 N -0.18 0.15 0.18 3.70 -7.23 -1.26 -4.90 120.40 110.87 1x5c s VAL 72 Ca 0.03 -0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 1x5c s VAL 72 Cb -0.13 -0.15 -0.13 0.00 0.56 0.00 0.00 36.38 36.53 1x5c s VAL 72 CO 0.03 -0.00 1.42 1.05 -0.31 0.00 0.00 175.10 177.28 1x5c h GLU 73 N 5.97 0.09 0.00 4.82 4.11 -2.00 -3.07 114.58 124.51 1x5c h GLU 73 Ca -0.26 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1x5c h GLU 73 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1x5c h GLU 73 CO 0.50 0.87 0.00 0.00 0.07 0.00 0.00 179.01 180.46 1x5c n ALA 74 N -2.42 0.99 -3.67 1.06 0.00 -1.26 -4.37 120.51 110.84 1x5c n ALA 74 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1x5c n ALA 74 Cb 0.79 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.03 -0.48 -0.36 0.00 1.01 -1.16 -5.03 120.40 111.37 1x5c s VAL 75 Ca -0.00 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1x5c s VAL 75 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1x5c s VAL 75 CO 0.01 0.06 0.19 -0.54 0.00 0.00 0.00 175.10 174.83 1x5c s LYS 76 N 2.29 2.96 -0.27 2.72 -0.14 -1.26 -4.46 119.74 121.58 1x5c s LYS 76 Ca -0.04 -0.98 -0.03 0.00 -1.36 0.00 0.00 55.97 53.56 1x5c s LYS 76 Cb -0.11 -3.68 0.03 0.00 -1.68 0.00 0.00 37.83 32.39 1x5c s LYS 76 CO -0.13 -0.62 -0.02 0.08 -0.76 0.00 0.00 175.35 173.91 1x5c s VAL 77 N 1.57 3.11 -0.23 3.17 1.01 -1.26 -4.96 120.40 122.81 1x5c s VAL 77 Ca 0.03 -1.08 0.14 0.00 0.00 0.00 0.00 61.98 61.06 1x5c s VAL 77 Cb -0.19 -2.65 0.57 0.00 0.00 0.00 0.00 36.38 34.11 1x5c s VAL 77 CO 0.06 0.08 1.50 1.41 0.00 0.00 0.00 175.10 178.15 1x5c n HIS 78 N 4.69 1.25 -3.67 5.22 -0.00 -1.26 -5.00 115.22 116.45 1x5c n HIS 78 Ca -0.15 -1.10 -0.04 0.00 -0.00 0.00 0.00 57.72 56.43 1x5c n HIS 78 Cb 0.46 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.99 30.01 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1x5c s SER 79 N -1.92 -0.20 -0.04 0.41 0.01 -1.26 -5.19 113.70 105.51 1x5c s SER 79 Ca 0.45 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 1x5c s SER 79 Cb 0.38 0.40 0.08 0.00 0.21 0.00 0.00 66.02 67.09 1x5c s SER 79 CO 0.08 -0.72 0.72 -0.36 0.41 0.00 0.00 173.24 173.36 1x5c s PHE 80 N -3.09 -0.59 0.51 2.43 0.08 -1.26 -4.18 117.98 111.87 1x5c s PHE 80 Ca 0.11 0.93 -0.21 0.00 0.12 0.00 0.00 56.93 57.87 1x5c s PHE 80 Cb -0.00 0.44 -0.06 0.00 -0.57 0.00 0.00 43.02 42.82 1x5c s PHE 80 CO -0.02 -0.60 1.15 -1.25 -0.10 0.00 0.00 175.22 174.40 1x5c s PRO 81 N -1.58 3.52 -0.05 0.24 0.04 -1.26 -4.92 135.00 131.00 1x5c s PRO 81 Ca -0.08 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1x5c s PRO 81 Cb -0.00 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1x5c s PRO 81 CO 0.05 -0.72 -0.14 0.99 0.04 0.00 0.00 177.00 177.22 1x5c s THR 82 N -1.67 1.21 -0.05 1.26 2.01 0.91 -5.02 115.64 114.29 1x5c s THR 82 Ca 0.69 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1x5c s THR 82 Cb -0.26 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1x5c s THR 82 CO 0.30 0.36 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.58 1x5c s LEU 83 N 0.25 2.06 -0.05 4.42 1.43 -1.26 0.14 118.68 125.67 1x5c s LEU 83 Ca -0.07 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1x5c s LEU 83 Cb -0.12 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.77 1x5c s LEU 83 CO 0.02 0.25 -0.00 -0.54 0.23 0.00 0.00 176.35 176.31 1x5c s LYS 84 N -0.21 0.53 -0.14 1.70 1.02 -1.04 -2.95 119.74 118.65 1x5c s LYS 84 Ca -0.02 0.08 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 1x5c s LYS 84 Cb -0.13 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 1x5c s LYS 84 CO 0.03 -0.22 0.43 0.12 -0.92 0.00 0.00 175.35 174.79 1x5c s PHE 85 N 1.54 3.49 -0.39 3.18 2.19 0.04 -1.89 117.98 126.13 1x5c s PHE 85 Ca -0.02 0.80 -0.10 0.00 0.33 0.00 0.00 56.93 57.94 1x5c s PHE 85 Cb -0.13 -2.50 0.05 0.00 -1.31 0.00 0.00 43.02 39.12 1x5c s PHE 85 CO -0.03 0.16 0.22 -0.06 1.83 0.00 0.00 175.22 177.35 1x5c s PHE 86 N 0.67 3.27 0.95 10.12 0.08 0.47 0.21 117.98 133.76 1x5c s PHE 86 Ca 0.23 -1.18 -0.12 0.00 0.12 0.00 0.00 56.93 55.98 1x5c s PHE 86 Cb -0.15 -2.61 0.16 0.00 -0.57 0.00 0.00 43.02 39.85 1x5c s PHE 86 CO 0.09 -0.73 1.09 -1.25 -0.10 0.00 0.00 175.22 174.32 1x5c s PRO 87 N 1.50 0.79 -0.72 0.24 0.04 -1.26 -1.86 135.00 133.74 1x5c s PRO 87 Ca 0.02 0.65 -0.06 0.00 0.04 0.00 0.00 61.00 61.65 1x5c s PRO 87 Cb -0.21 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 1x5c s PRO 87 CO 0.05 -2.52 2.71 0.00 0.04 0.00 0.00 177.00 177.28 1x5c n ALA 88 N -4.05 5.73 -3.25 8.56 0.00 -1.26 -4.75 120.51 121.50 1x5c n ALA 88 Ca 0.06 -2.17 -0.31 0.00 0.00 0.00 0.00 53.44 51.01 1x5c n ALA 88 Cb 0.56 -2.80 -0.17 0.00 0.00 0.00 0.00 19.45 17.04 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5c s SER 89 N 2.54 2.94 0.00 0.00 0.01 -1.26 -3.98 113.70 113.96 1x5c s SER 89 Ca 0.54 -0.53 0.16 0.00 1.31 0.00 0.00 55.95 57.42 1x5c s SER 89 Cb 0.19 -1.34 0.95 0.00 0.21 0.00 0.00 66.02 66.03 1x5c s SER 89 CO -0.03 0.15 1.37 0.00 0.41 0.00 0.00 173.24 175.14 1x5c n ALA 90 N 3.55 2.17 -0.49 1.44 0.00 -1.26 -3.18 120.51 122.74 1x5c n ALA 90 Ca -0.19 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1x5c n ALA 90 Cb 0.53 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.93 4.27 -3.50 0.00 8.00 -1.26 -4.86 116.55 118.27 1x5c n ASP 91 Ca 0.12 -3.03 -0.28 0.00 0.71 0.00 0.00 54.79 52.31 1x5c n ASP 91 Cb 0.05 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.32 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1x5c n ARG 92 N -0.35 -0.82 -2.37 -1.24 1.85 -1.19 -4.81 116.66 107.72 1x5c n ARG 92 Ca 0.36 0.09 -0.35 0.00 -1.00 0.00 0.00 57.85 56.95 1x5c n ARG 92 Cb 1.05 -3.13 -0.01 0.00 -1.05 0.00 0.00 32.46 29.32 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 -2.48 3.40 -0.02 8.89 2.01 -1.26 -5.06 115.64 121.12 1x5c s THR 93 Ca 0.55 0.91 0.03 0.00 0.31 0.00 0.00 61.69 63.49 1x5c s THR 93 Cb -0.32 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 1x5c s THR 93 CO 0.67 -0.15 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 1x5c s VAL 94 N -1.80 0.82 -0.11 3.82 1.01 -1.26 -4.20 120.40 118.69 1x5c s VAL 94 Ca 0.69 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1x5c s VAL 94 Cb -0.22 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1x5c s VAL 94 CO 0.26 0.25 -0.07 -0.63 0.00 0.00 0.00 175.10 174.91 1x5c s ILE 95 N 0.05 3.65 0.04 2.22 1.01 0.13 -4.96 121.20 123.35 1x5c s ILE 95 Ca -0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1x5c s ILE 95 Cb -0.07 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1x5c s ILE 95 CO 0.00 0.55 0.95 1.51 0.00 0.00 0.00 174.94 177.96 1x5c s ASP 96 N -0.24 7.40 -0.37 3.58 1.47 -1.26 -0.78 116.67 126.48 1x5c s ASP 96 Ca 0.03 1.69 -0.13 0.00 1.18 0.00 0.00 52.55 55.32 1x5c s ASP 96 Cb -0.13 -2.57 0.01 0.00 -0.34 0.00 0.00 42.92 39.89 1x5c s ASP 96 CO 0.03 -0.16 0.24 -0.47 0.68 0.00 0.00 175.17 175.48 1x5c s TYR 97 N 0.54 3.23 -0.46 2.11 6.14 -1.15 -4.90 117.35 122.85 1x5c s TYR 97 Ca 0.49 -0.54 0.08 0.00 0.64 0.00 0.00 57.07 57.73 1x5c s TYR 97 Cb -0.22 -2.49 0.28 0.00 0.42 0.00 0.00 41.96 39.95 1x5c s TYR 97 CO 0.28 -0.51 0.66 0.09 0.64 0.00 0.00 175.55 176.71 1x5c n ASN 98 N 5.08 1.54 0.00 4.32 3.02 -1.26 -4.73 115.26 123.23 1x5c n ASN 98 Ca -0.12 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1x5c n ASN 98 Cb 0.48 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5c n GLY 99 N 0.88 5.24 0.25 7.41 0.00 -1.26 -5.00 105.19 112.71 1x5c n GLY 99 Ca 0.25 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.61 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -5.23 1.61 4.11 -1.98 -3.47 114.58 109.63 1x5c h GLU 100 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 1x5c h GLU 100 Cb 0.00 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.40 1x5c h GLU 100 CO 0.00 0.14 -0.68 -2.13 0.07 0.00 0.00 179.01 176.42 1x5c n ARG 101 N -3.53 -5.91 -4.24 1.06 0.63 -1.26 -5.03 116.66 98.38 1x5c n ARG 101 Ca -0.01 0.75 -0.19 0.00 -0.92 0.00 0.00 57.85 57.48 1x5c n ARG 101 Cb 0.29 -5.48 -0.11 0.00 0.45 0.00 0.00 32.46 27.61 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 -3.32 1.37 0.26 5.15 -4.23 -1.26 -5.00 115.64 108.62 1x5c s THR 102 Ca 0.02 -1.63 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1x5c s THR 102 Cb -0.01 -1.47 0.34 0.00 1.34 0.00 0.00 72.50 72.70 1x5c s THR 102 CO 0.64 -0.33 1.61 0.25 -0.54 0.00 0.00 174.62 176.25 1x5c h LEU 103 N 3.72 -0.51 -0.41 4.79 5.85 -1.96 0.49 115.31 127.28 1x5c h LEU 103 Ca -0.41 0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.36 1x5c h LEU 103 Cb 1.19 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1x5c h LEU 103 CO 0.47 -0.25 -0.71 -0.78 -0.34 0.00 0.00 178.44 176.83 1x5c h ASP 104 N 0.05 0.50 -0.39 1.25 1.82 -1.96 -3.18 116.42 114.52 1x5c h ASP 104 Ca 0.46 -0.32 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1x5c h ASP 104 Cb 0.81 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1x5c h ASP 104 CO -0.79 1.06 0.10 1.23 -1.61 0.00 0.00 179.24 179.23 1x5c h GLY 105 N 1.24 0.75 0.95 -0.78 0.00 -0.61 -2.85 103.07 101.78 1x5c h GLY 105 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1x5c h GLY 105 CO 0.12 0.40 0.12 0.74 0.00 0.00 0.00 176.54 177.92 1x5c h PHE 106 N 0.68 0.73 -0.87 5.60 0.04 -0.52 -2.78 116.94 119.82 1x5c h PHE 106 Ca 0.15 -0.08 0.13 0.00 2.80 0.00 0.00 57.97 60.97 1x5c h PHE 106 Cb 0.28 -0.21 -0.09 0.00 2.20 0.00 0.00 35.95 38.13 1x5c h PHE 106 CO 0.01 0.67 0.49 0.87 -0.60 0.00 0.00 178.31 179.75 1x5c h LYS 107 N 0.58 0.72 -0.18 1.51 1.57 -1.51 0.11 116.57 119.38 1x5c h LYS 107 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1x5c h LYS 107 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1x5c h LYS 107 CO -0.00 0.48 0.09 0.87 -0.57 0.00 0.00 179.45 180.31 1x5c h LYS 108 N 0.75 0.26 -0.63 3.15 1.57 -1.43 0.22 116.57 120.47 1x5c h LYS 108 Ca 0.45 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1x5c h LYS 108 Cb 0.54 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1x5c h LYS 108 CO -0.31 0.30 0.30 0.35 -0.57 0.00 0.00 179.45 179.52 1x5c h PHE 109 N 0.16 0.90 0.51 -1.35 3.04 -1.06 -2.72 116.94 116.42 1x5c h PHE 109 Ca 0.06 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1x5c h PHE 109 Cb 0.12 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.36 1x5c h PHE 109 CO -0.02 0.69 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.64 1x5c h LEU 110 N 0.86 -0.58 -0.93 0.59 3.38 -0.64 -2.54 115.31 115.44 1x5c h LEU 110 Ca 0.21 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.59 1x5c h LEU 110 Cb 0.13 0.15 -0.17 0.00 0.09 0.00 0.00 40.66 40.86 1x5c h LEU 110 CO -0.03 -0.27 0.47 -0.62 0.09 0.00 0.00 178.44 178.08 1x5c n GLU 111 N -4.62 -0.06 -0.19 1.13 1.02 0.77 0.20 120.64 118.90 1x5c n GLU 111 Ca -0.08 1.30 -0.10 0.00 -0.02 0.00 0.00 57.16 58.26 1x5c n GLU 111 Cb 0.27 -2.31 0.01 0.00 -0.02 0.00 0.00 31.44 29.39 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 0.91 0.00 1.62 0.02 -1.45 -3.47 113.55 111.18 1x5c h SER 112 Ca 0.78 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1x5c h SER 112 Cb 2.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1x5c h SER 112 CO -0.73 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 1x5c n GLY 113 N -0.41 1.59 1.31 -3.77 0.00 0.54 -4.70 105.19 99.75 1x5c n GLY 113 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.32 0.81 3.41 -0.02 0.00 -0.98 -4.95 105.19 103.14 1x5c n GLY 114 Ca 0.00 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.54 3.07 -0.16 1.61 -0.21 -1.26 -4.85 119.66 113.33 1x5c s GLN 115 Ca 0.00 -1.12 -0.07 0.00 0.02 0.00 0.00 55.36 54.19 1x5c s GLN 115 Cb 0.00 -4.16 -0.07 0.00 1.00 0.00 0.00 33.01 29.77 1x5c s GLN 115 CO 0.00 -1.30 -0.20 -1.13 -2.12 0.00 0.00 175.29 170.54 1x5c n SER 116 N 6.05 1.41 -3.58 5.90 3.41 -1.26 -4.98 113.62 120.57 1x5c n SER 116 Ca -0.09 0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.58 1x5c n SER 116 Cb 0.44 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1x5c n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5c s GLY 117 N -5.33 -0.25 0.37 5.00 0.00 -1.26 -5.03 107.32 100.81 1x5c s GLY 117 Ca -0.22 2.05 0.16 0.00 0.00 0.00 0.00 44.72 46.71 1x5c s GLY 117 CO 0.30 1.03 1.77 -0.56 0.00 0.00 0.00 173.10 175.64 1x5c h PRO 118 N 2.54 0.00 -6.27 2.90 0.13 -2.01 -3.44 132.00 125.85 1x5c h PRO 118 Ca -0.18 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.39 1x5c h PRO 118 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1x5c h PRO 118 CO 0.31 0.40 -0.26 0.45 -0.23 0.00 0.00 178.00 178.67 1x5c s SER 119 N -6.67 6.49 -0.38 1.44 0.15 -1.26 -5.02 113.70 108.45 1x5c s SER 119 Ca -0.02 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.32 1x5c s SER 119 Cb 0.13 -2.11 0.45 0.00 -1.71 0.00 0.00 66.02 62.78 1x5c s SER 119 CO 0.71 -0.02 1.30 -1.54 1.20 0.00 0.00 173.24 174.89 1x5c n SER 120 N -0.21 5.31 0.00 5.45 3.41 -1.26 -5.11 113.62 121.21 1x5c n SER 120 Ca -0.02 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 1x5c n SER 120 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49