#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c n SER 2 N 0.00 5.19 -2.55 1.61 3.41 -1.26 -4.88 113.62 115.14 1x5c n SER 2 Ca 0.00 -3.74 -0.25 0.00 -0.26 0.00 0.00 58.87 54.62 1x5c n SER 2 Cb 0.00 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1x5c n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5c n SER 3 N -0.47 6.52 0.00 4.04 7.64 -1.26 -4.84 113.62 125.26 1x5c n SER 3 Ca 0.41 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1x5c n SER 3 Cb 0.57 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1x5c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5c n GLY 4 N 1.66 2.06 3.69 0.23 0.00 -1.26 -5.01 105.19 106.55 1x5c n GLY 4 Ca 0.51 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 7.20 -0.20 1.61 0.01 -1.26 -5.02 113.70 116.04 1x5c s SER 5 Ca 0.00 1.58 -0.16 0.00 1.31 0.00 0.00 55.95 58.68 1x5c s SER 5 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1x5c s SER 5 CO 0.00 -0.48 0.42 -0.94 0.41 0.00 0.00 173.24 172.64 1x5c s SER 6 N 1.17 6.46 0.00 2.44 1.04 -1.26 -5.03 113.70 118.52 1x5c s SER 6 Ca 0.50 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1x5c s SER 6 Cb -0.19 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1x5c s SER 6 CO 0.18 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x5c n GLY 7 N 3.89 1.27 0.08 7.32 0.00 -1.26 -5.05 105.19 111.43 1x5c n GLY 7 Ca -0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.12 -5.59 1.61 0.13 -1.89 -3.44 132.00 122.94 1x5c h PRO 8 Ca 0.00 -0.06 -0.68 0.00 -0.87 0.00 0.00 66.00 64.39 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 0.58 -0.88 0.54 -0.23 0.00 0.00 178.00 178.01 1x5c s VAL 9 N -4.25 2.01 0.56 1.56 0.11 -1.26 -2.81 120.40 116.31 1x5c s VAL 9 Ca -0.15 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.68 1x5c s VAL 9 Cb 0.03 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 1x5c s VAL 9 CO 0.70 0.55 1.19 -0.75 -3.33 0.00 0.00 175.10 173.46 1x5c s LYS 10 N 0.13 3.21 -0.29 1.54 2.36 -0.92 -4.80 119.74 120.97 1x5c s LYS 10 Ca -0.12 1.79 -0.04 0.00 -2.55 0.00 0.00 55.97 55.05 1x5c s LYS 10 Cb -0.16 -2.04 0.03 0.00 -1.05 0.00 0.00 37.83 34.61 1x5c s LYS 10 CO 0.06 -1.01 0.01 0.08 1.55 0.00 0.00 175.35 176.05 1x5c s VAL 11 N -1.61 3.28 0.26 4.02 1.01 -1.26 0.11 120.40 126.21 1x5c s VAL 11 Ca 0.74 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1x5c s VAL 11 Cb -0.29 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 1x5c s VAL 11 CO 0.32 0.03 0.63 -0.76 0.00 0.00 0.00 175.10 175.32 1x5c s LEU 12 N 1.35 4.14 0.19 3.92 1.43 0.30 -4.94 118.68 125.07 1x5c s LEU 12 Ca -0.01 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.24 1x5c s LEU 12 Cb -0.18 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 1x5c s LEU 12 CO -0.01 -0.12 -0.14 0.68 0.23 0.00 0.00 176.35 176.99 1x5c s VAL 13 N -1.86 1.66 -1.36 -1.59 -7.23 -1.26 -4.52 120.40 104.24 1x5c s VAL 13 Ca 0.50 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1x5c s VAL 13 Cb -0.11 -1.99 0.11 0.00 0.56 0.00 0.00 36.38 34.95 1x5c s VAL 13 CO 0.20 -0.59 1.10 0.61 -0.31 0.00 0.00 175.10 176.11 1x5c n GLY 14 N -0.29 -0.55 0.13 2.32 0.00 -1.26 0.12 105.19 105.66 1x5c n GLY 14 Ca -0.09 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -1.32 0.68 -2.52 1.61 4.81 -1.26 -4.59 118.16 115.56 1x5c n LYS 15 Ca 0.03 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1x5c n LYS 15 Cb 0.06 -1.67 0.04 0.00 0.02 0.00 0.00 35.03 33.47 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1x5c n ASN 16 N -3.78 2.89 0.05 3.14 6.94 -0.97 -4.91 115.26 118.62 1x5c n ASN 16 Ca -0.36 -2.72 -0.02 0.00 -0.02 0.00 0.00 54.58 51.46 1x5c n ASN 16 Cb 0.93 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 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 2.45 -0.14 -0.66 -2.53 3.57 0.70 -3.04 116.94 117.30 1x5c h PHE 17 Ca 0.06 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1x5c h PHE 17 Cb 1.37 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 1x5c h PHE 17 CO 0.64 -0.09 0.44 0.93 -2.23 0.00 0.00 178.31 178.00 1x5c h GLU 18 N -0.26 0.47 -0.66 1.11 5.08 -1.91 0.50 114.58 118.91 1x5c h GLU 18 Ca -0.02 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1x5c h GLU 18 Cb 0.11 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1x5c h GLU 18 CO 0.02 0.31 0.43 0.22 -1.00 0.00 0.00 179.01 179.00 1x5c h ASP 19 N 0.49 0.50 0.00 1.42 3.58 -1.84 -1.54 116.42 119.02 1x5c h ASP 19 Ca 0.31 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.67 1x5c h ASP 19 Cb 0.54 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1x5c h ASP 19 CO -0.09 0.31 -1.25 0.52 -2.88 0.00 0.00 179.24 175.85 1x5c n VAL 20 N -4.48 1.50 -0.19 2.25 0.31 -0.17 -4.64 118.33 112.91 1x5c n VAL 20 Ca 0.10 0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.35 1x5c n VAL 20 Cb 0.31 -2.26 -0.09 0.00 -0.91 0.00 0.00 33.84 30.89 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 -0.99 -0.71 -1.70 3.52 0.00 -0.15 -3.34 119.26 115.90 1x5c h ALA 21 Ca -0.14 0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 1x5c h ALA 21 Cb 1.07 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.96 1x5c h ALA 21 CO -0.09 -0.99 1.01 -0.06 0.00 0.00 0.00 179.25 179.12 1x5c s PHE 22 N -5.45 2.57 -0.12 0.00 0.08 -0.58 -4.55 117.98 109.92 1x5c s PHE 22 Ca -0.13 0.62 -0.04 0.00 0.12 0.00 0.00 56.93 57.50 1x5c s PHE 22 Cb 0.08 -4.41 0.06 0.00 -0.57 0.00 0.00 43.02 38.19 1x5c s PHE 22 CO 0.58 -1.65 0.22 0.16 -0.10 0.00 0.00 175.22 174.43 1x5c s ASP 23 N 3.31 0.61 0.62 1.36 1.47 -1.26 -4.70 116.67 118.09 1x5c s ASP 23 Ca 0.52 0.40 -0.18 0.00 1.18 0.00 0.00 52.55 54.47 1x5c s ASP 23 Cb -0.10 0.52 -0.03 0.00 -0.34 0.00 0.00 42.92 42.97 1x5c s ASP 23 CO 0.30 -0.25 1.09 1.21 0.68 0.00 0.00 175.17 178.20 1x5c n GLU 24 N 5.34 0.97 -2.89 2.11 2.13 -1.26 -2.19 120.64 124.84 1x5c n GLU 24 Ca -0.05 0.38 -0.20 0.00 0.66 0.00 0.00 57.16 57.95 1x5c n GLU 24 Cb 0.50 -2.31 0.01 0.00 0.27 0.00 0.00 31.44 29.90 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 -1.38 -3.32 -3.62 5.31 4.76 -1.25 -4.94 118.16 113.73 1x5c n LYS 25 Ca 0.15 0.71 -0.05 0.00 -2.87 0.00 0.00 58.31 56.24 1x5c n LYS 25 Cb 0.48 -5.43 -0.07 0.00 -1.84 0.00 0.00 35.03 28.17 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 -5.53 0.42 -0.68 1.97 2.47 -0.93 -4.80 119.74 112.66 1x5c s LYS 26 Ca 0.21 1.15 -0.21 0.00 -1.56 0.00 0.00 55.97 55.56 1x5c s LYS 26 Cb -0.10 0.48 0.08 0.00 -1.46 0.00 0.00 37.83 36.83 1x5c s LYS 26 CO 0.26 -0.27 0.93 -0.80 0.16 0.00 0.00 175.35 175.63 1x5c s ASN 27 N 2.72 6.23 -0.18 1.43 0.01 0.39 -4.10 114.94 121.44 1x5c s ASN 27 Ca -0.01 -1.21 -0.11 0.00 -0.71 0.00 0.00 52.86 50.82 1x5c s ASN 27 Cb -0.12 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1x5c s ASN 27 CO -0.15 -1.33 0.18 -0.69 -1.51 0.00 0.00 177.10 173.60 1x5c s VAL 28 N 3.60 5.39 -0.45 1.60 1.01 -0.70 -0.94 120.40 129.90 1x5c s VAL 28 Ca 0.21 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1x5c s VAL 28 Cb -0.17 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.82 1x5c s VAL 28 CO 0.07 0.44 0.30 0.12 0.00 0.00 0.00 175.10 176.03 1x5c s PHE 29 N 0.27 3.48 0.51 5.22 5.36 -0.75 -0.30 117.98 131.77 1x5c s PHE 29 Ca 0.11 -2.06 -0.11 0.00 -0.96 0.00 0.00 56.93 53.91 1x5c s PHE 29 Cb -0.12 -3.41 -0.06 0.00 -0.34 0.00 0.00 43.02 39.10 1x5c s PHE 29 CO 0.00 -0.99 0.91 0.08 -1.46 0.00 0.00 175.22 173.76 1x5c s VAL 30 N 1.28 4.72 -0.22 3.12 1.01 -0.84 -1.74 120.40 127.74 1x5c s VAL 30 Ca 0.07 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1x5c s VAL 30 Cb -0.25 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1x5c s VAL 30 CO -0.02 -0.81 0.10 -0.70 0.00 0.00 0.00 175.10 173.67 1x5c s GLU 31 N -4.47 0.14 -0.77 2.72 2.12 -0.82 -2.39 118.70 115.24 1x5c s GLU 31 Ca 0.54 -0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.35 1x5c s GLU 31 Cb -0.10 -1.61 0.06 0.00 0.26 0.00 0.00 34.13 32.74 1x5c s GLU 31 CO 0.40 -0.80 1.18 -0.06 -0.54 0.00 0.00 175.26 175.44 1x5c s PHE 32 N 2.10 2.54 0.48 5.30 0.08 0.23 -2.17 117.98 126.55 1x5c s PHE 32 Ca 0.04 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.70 1x5c s PHE 32 Cb -0.16 -4.49 0.03 0.00 -0.57 0.00 0.00 43.02 37.84 1x5c s PHE 32 CO -0.19 -1.85 0.58 1.52 -0.10 0.00 0.00 175.22 175.18 1x5c s TYR 33 N 4.73 2.19 -0.03 0.36 -0.85 -1.09 -1.56 117.35 121.10 1x5c s TYR 33 Ca 0.32 -0.58 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 1x5c s TYR 33 Cb -0.10 -2.23 -0.00 0.00 0.38 0.00 0.00 41.96 40.01 1x5c s TYR 33 CO 0.07 -0.61 -0.14 0.00 -1.52 0.00 0.00 175.55 173.36 1x5c s ALA 34 N -2.53 1.27 -1.56 9.51 0.00 -1.26 -3.42 121.76 123.77 1x5c s ALA 34 Ca 0.53 -0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.08 1x5c s ALA 34 Cb -0.06 -0.42 0.79 0.00 0.00 0.00 0.00 23.12 23.43 1x5c s ALA 34 CO 0.33 0.23 1.39 -0.35 0.00 0.00 0.00 175.76 177.36 1x5c n PRO 35 N 3.14 0.27 0.00 0.00 -0.04 -1.26 -3.28 135.00 133.84 1x5c n PRO 35 Ca -0.18 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 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 -1.22 0.00 -1.65 0.54 4.27 -1.26 -5.03 117.44 113.08 1x5c n TRP 36 Ca 0.08 0.00 -0.54 0.00 -3.89 0.00 0.00 57.50 53.15 1x5c n TRP 36 Cb 0.10 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 6.00 -1.08 -0.50 0.00 0.00 -1.96 -2.42 103.07 103.11 1x5c h GLY 38 Ca -0.47 0.40 0.33 0.00 0.00 0.00 0.00 47.33 47.59 1x5c h GLY 38 CO 0.87 -0.39 0.72 0.45 0.00 0.00 0.00 176.54 178.19 1x5c h HIS 39 N -1.19 0.63 -0.28 5.60 3.86 -1.92 0.29 115.15 122.14 1x5c h HIS 39 Ca -0.11 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1x5c h HIS 39 Cb 0.80 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1x5c h HIS 39 CO 0.02 -0.05 0.05 0.00 0.86 0.00 0.00 177.93 178.81 1x5c h LYS 41 N 0.28 0.00 0.00 0.00 1.57 0.09 0.95 116.57 119.46 1x5c h LYS 41 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1x5c h LYS 41 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1x5c h LYS 41 CO 0.00 0.00 -0.88 1.96 -0.57 0.00 0.00 179.45 179.97 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 4.20 -1.33 -3.29 115.11 117.84 1x5c h GLN 42 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1x5c h GLN 42 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1x5c h GLN 42 CO -0.00 0.21 -0.23 1.25 -0.67 0.00 0.00 178.83 179.39 1x5c h LEU 43 N 0.00 0.00 -0.25 1.46 5.85 0.11 -3.34 115.31 119.14 1x5c h LEU 43 Ca -0.06 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1x5c h LEU 43 Cb 1.28 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1x5c h LEU 43 CO 0.03 0.02 -0.28 0.00 -0.34 0.00 0.00 178.44 177.87 1x5c h ALA 44 N 2.31 -0.20 0.06 1.25 0.00 -1.40 0.49 119.26 121.78 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 0.85 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1x5c h ALA 44 CO 0.00 -0.71 -0.03 -1.00 0.00 0.00 0.00 179.25 177.51 1x5c h PRO 45 N -0.29 -0.08 -0.93 0.00 0.13 -1.80 -2.10 132.00 126.94 1x5c h PRO 45 Ca 0.14 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.38 1x5c h PRO 45 Cb 0.50 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 1x5c h PRO 45 CO -0.41 0.37 0.60 0.82 -0.23 0.00 0.00 178.00 179.15 1x5c h ILE 46 N -0.57 0.95 -0.12 -3.56 2.04 -1.64 0.17 117.51 114.78 1x5c h ILE 46 Ca -0.01 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.38 1x5c h ILE 46 Cb 0.49 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1x5c h ILE 46 CO 0.01 0.17 -0.59 -0.25 0.00 0.00 0.00 178.15 177.49 1x5c h TRP 47 N 0.91 0.51 0.00 1.37 2.91 -0.03 -2.67 115.95 118.95 1x5c h TRP 47 Ca 0.44 -0.19 -0.12 0.00 1.13 0.00 0.00 58.89 60.15 1x5c h TRP 47 Cb 0.45 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 1x5c h TRP 47 CO -0.00 0.89 -0.58 0.22 -1.03 0.00 0.00 178.44 177.94 1x5c h ASP 48 N 0.30 0.00 1.07 2.65 1.82 -0.43 -2.06 116.42 119.77 1x5c h ASP 48 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1x5c h ASP 48 Cb 1.11 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 1x5c h ASP 48 CO 0.10 0.58 -0.54 0.11 -1.61 0.00 0.00 179.24 177.88 1x5c h LYS 49 N 0.00 0.00 0.19 0.28 1.57 -0.60 -3.19 116.57 114.82 1x5c h LYS 49 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1x5c h LYS 49 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x5c h LYS 49 CO 0.08 0.54 -1.67 1.25 -0.57 0.00 0.00 179.45 179.08 1x5c h LEU 50 N 0.00 0.61 -0.75 2.94 5.85 -1.37 -3.34 115.31 119.25 1x5c h LEU 50 Ca -0.01 -0.85 0.08 0.00 0.84 0.00 0.00 57.88 57.94 1x5c h LEU 50 Cb 1.22 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1x5c h LEU 50 CO 0.07 1.71 0.43 1.23 -0.34 0.00 0.00 178.44 181.54 1x5c h GLY 51 N 0.79 1.14 2.00 3.75 0.00 -1.42 -0.22 103.07 109.11 1x5c h GLY 51 Ca -0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1x5c h GLY 51 CO 0.19 0.15 -0.07 1.05 0.00 0.00 0.00 176.54 177.87 1x5c h GLU 52 N 0.75 0.00 -0.18 4.80 4.11 -1.50 0.15 114.58 122.71 1x5c h GLU 52 Ca 0.35 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.63 1x5c h GLU 52 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1x5c h GLU 52 CO -0.21 0.07 -0.50 1.15 0.07 0.00 0.00 179.01 179.58 1x5c h THR 53 N 0.00 1.32 -0.21 -1.06 2.02 -1.15 -3.22 112.91 110.61 1x5c h THR 53 Ca -0.00 -1.73 -0.14 0.00 0.77 0.00 0.00 66.41 65.30 1x5c h THR 53 Cb 0.17 1.73 -0.10 0.00 -1.74 0.00 0.00 68.15 68.20 1x5c h THR 53 CO 0.01 0.54 -0.50 -1.22 0.37 0.00 0.00 175.52 174.71 1x5c n TYR 54 N -3.97 0.73 0.09 3.16 4.02 -0.72 -4.69 117.16 115.77 1x5c n TYR 54 Ca -0.03 -1.68 -0.09 0.00 -0.01 0.00 0.00 57.90 56.10 1x5c n TYR 54 Cb 0.57 -0.31 -0.02 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.26 0.18 -0.19 -0.72 2.10 -0.75 -3.27 116.57 115.18 1x5c h LYS 55 Ca 0.11 -0.21 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 1x5c h LYS 55 Cb 1.19 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 1x5c h LYS 55 CO 0.22 0.96 -0.08 -3.47 -2.00 0.00 0.00 179.45 175.09 1x5c n ASP 56 N -3.63 2.86 -3.06 7.07 2.03 -1.26 -5.01 116.55 115.55 1x5c n ASP 56 Ca -0.03 -3.35 -0.14 0.00 0.52 0.00 0.00 54.79 51.78 1x5c n ASP 56 Cb 0.82 -0.54 0.13 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.99 -3.11 -0.10 -0.67 -0.00 -1.23 -5.02 115.22 104.11 1x5c n HIS 57 Ca 0.23 -0.43 -0.15 0.00 0.46 0.00 0.00 57.72 57.83 1x5c n HIS 57 Cb 0.85 -0.57 -0.09 0.00 -0.12 0.00 0.00 29.99 30.06 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 -3.51 0.47 0.00 1.57 0.00 -1.26 -4.83 120.64 113.08 1x5c n GLU 58 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1x5c n GLU 58 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.37 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 -3.27 4.24 -4.60 -1.84 0.23 -1.26 -4.94 115.26 103.82 1x5c n ASN 59 Ca -0.36 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.26 1x5c n ASN 59 Cb 0.85 0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 38.91 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 -1.86 4.47 -0.23 1.53 1.01 -1.25 0.15 121.20 125.02 1x5c s ILE 60 Ca 0.00 1.18 -0.00 0.00 0.00 0.00 0.00 60.65 61.83 1x5c s ILE 60 Cb 0.00 -4.42 0.06 0.00 0.01 0.00 0.00 42.46 38.11 1x5c s ILE 60 CO 0.00 -0.69 -0.03 -0.69 0.00 0.00 0.00 174.94 173.53 1x5c s VAL 61 N 3.76 1.30 0.32 2.92 1.01 -0.11 -4.28 120.40 125.33 1x5c s VAL 61 Ca 0.41 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1x5c s VAL 61 Cb -0.11 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 1x5c s VAL 61 CO 0.23 -0.15 1.03 -0.63 0.00 0.00 0.00 175.10 175.58 1x5c s ILE 62 N 1.49 3.79 0.00 2.22 -1.09 -1.26 -1.81 121.20 124.55 1x5c s ILE 62 Ca -0.04 1.60 -0.17 0.00 -2.23 0.00 0.00 60.65 59.81 1x5c s ILE 62 Cb -0.18 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1x5c s ILE 62 CO -0.07 0.23 0.36 0.00 -1.23 0.00 0.00 174.94 174.23 1x5c s ALA 63 N -1.41 -0.89 0.07 9.38 0.00 -0.71 -2.17 121.76 126.03 1x5c s ALA 63 Ca 0.49 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1x5c s ALA 63 Cb -0.25 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1x5c s ALA 63 CO 0.32 -0.33 -0.17 -1.59 0.00 0.00 0.00 175.76 174.00 1x5c s LYS 64 N -1.70 0.99 -0.04 0.00 -2.85 0.12 -1.94 119.74 114.31 1x5c s LYS 64 Ca -0.11 -0.94 -0.10 0.00 -1.00 0.00 0.00 55.97 53.82 1x5c s LYS 64 Cb -0.03 -1.07 0.02 0.00 -2.06 0.00 0.00 37.83 34.68 1x5c s LYS 64 CO 0.02 0.25 0.23 1.41 0.10 0.00 0.00 175.35 177.37 1x5c s MET 65 N -1.54 0.46 -0.51 1.78 1.75 -0.92 -0.54 119.30 119.78 1x5c s MET 65 Ca 0.02 -0.04 -0.18 0.00 -1.25 0.00 0.00 55.69 54.24 1x5c s MET 65 Cb -0.09 0.20 0.07 0.00 2.84 0.00 0.00 34.83 37.85 1x5c s MET 65 CO 0.02 -0.10 0.59 0.34 -0.65 0.00 0.00 175.02 175.22 1x5c s ASP 66 N -0.75 6.20 0.41 1.11 -1.08 -1.26 -2.66 116.67 118.64 1x5c s ASP 66 Ca -0.08 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 51.04 1x5c s ASP 66 Cb -0.05 -2.27 0.87 0.00 -1.46 0.00 0.00 42.92 40.02 1x5c s ASP 66 CO 0.02 -0.87 1.88 -1.28 0.52 0.00 0.00 175.17 175.44 1x5c h SER 67 N 8.97 0.00 1.49 -0.34 0.87 -1.67 0.84 113.55 123.71 1x5c h SER 67 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1x5c h SER 67 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1x5c h SER 67 CO 0.96 0.31 0.00 0.71 -0.53 0.00 0.00 176.83 178.28 1x5c h THR 68 N 0.00 0.00 0.00 2.23 1.35 -1.91 -3.20 112.91 111.37 1x5c h THR 68 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1x5c h THR 68 Cb 0.59 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1x5c h THR 68 CO 0.04 0.00 -1.01 0.00 -0.25 0.00 0.00 175.52 174.30 1x5c n ALA 69 N -2.04 2.70 -3.64 6.62 0.00 -0.81 -4.98 120.51 118.35 1x5c n ALA 69 Ca 0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1x5c n ALA 69 Cb 0.41 -0.33 -0.15 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.57 -0.02 0.07 0.00 0.01 0.29 -4.94 114.94 107.79 1x5c s ASN 70 Ca -0.01 0.15 0.10 0.00 -0.71 0.00 0.00 52.86 52.39 1x5c s ASN 70 Cb 0.06 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.75 1x5c s ASN 70 CO 0.38 -0.12 -0.26 -0.70 -1.51 0.00 0.00 177.10 174.89 1x5c s GLU 71 N 0.97 1.65 -0.08 -0.60 2.12 -1.26 -3.92 118.70 117.57 1x5c s GLU 71 Ca -0.08 -1.16 -0.09 0.00 0.36 0.00 0.00 54.97 54.00 1x5c s GLU 71 Cb -0.11 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.39 1x5c s GLU 71 CO -0.04 0.48 0.25 0.14 -0.54 0.00 0.00 175.26 175.56 1x5c s VAL 72 N -0.88 0.01 0.17 3.70 -7.23 -1.26 -4.88 120.40 110.02 1x5c s VAL 72 Ca 0.12 -0.07 0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1x5c s VAL 72 Cb -0.10 -0.38 0.21 0.00 0.56 0.00 0.00 36.38 36.68 1x5c s VAL 72 CO 0.03 -0.04 1.82 1.05 -0.31 0.00 0.00 175.10 177.66 1x5c h GLU 73 N 5.55 0.00 0.00 4.82 4.11 -2.00 -2.81 114.58 124.24 1x5c h GLU 73 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 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 0.35 0.25 -0.07 0.00 0.07 0.00 0.00 179.01 179.62 1x5c h ALA 74 N 1.75 1.40 -1.81 1.06 0.00 -2.01 -3.39 119.26 116.25 1x5c h ALA 74 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1x5c h ALA 74 Cb 0.75 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.25 1x5c h ALA 74 CO 0.03 0.08 -0.41 0.08 0.00 0.00 0.00 179.25 179.03 1x5c s VAL 75 N -4.40 -0.70 -0.48 0.00 1.01 -1.06 -5.04 120.40 109.74 1x5c s VAL 75 Ca -0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1x5c s VAL 75 Cb 0.14 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.76 1x5c s VAL 75 CO 0.57 -0.07 0.42 -0.54 0.00 0.00 0.00 175.10 175.48 1x5c s LYS 76 N 2.63 2.99 -0.21 2.72 -0.14 -1.25 -4.32 119.74 122.16 1x5c s LYS 76 Ca 0.12 -1.31 -0.12 0.00 -1.36 0.00 0.00 55.97 53.30 1x5c s LYS 76 Cb -0.15 -4.13 -0.05 0.00 -1.68 0.00 0.00 37.83 31.82 1x5c s LYS 76 CO -0.16 -1.05 0.21 0.08 -0.76 0.00 0.00 175.35 173.67 1x5c s VAL 77 N 1.73 5.34 -0.38 3.17 1.01 -1.26 -4.94 120.40 125.08 1x5c s VAL 77 Ca 0.05 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.41 1x5c s VAL 77 Cb -0.24 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1x5c s VAL 77 CO 0.07 0.37 0.37 1.41 0.00 0.00 0.00 175.10 177.32 1x5c n HIS 78 N 3.92 0.00 -4.31 5.22 -0.00 -1.26 -5.04 115.22 113.75 1x5c n HIS 78 Ca -0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.42 1x5c n HIS 78 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.41 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 -1.06 1.30 -0.04 0.41 1.04 -1.26 -5.17 113.70 108.92 1x5c s SER 79 Ca 0.03 -1.34 -0.30 0.00 0.48 0.00 0.00 55.95 54.82 1x5c s SER 79 Cb 0.04 0.13 0.08 0.00 0.10 0.00 0.00 66.02 66.37 1x5c s SER 79 CO 0.14 -0.69 0.73 -0.36 0.98 0.00 0.00 173.24 174.04 1x5c s PHE 80 N -3.70 -0.58 0.42 5.02 0.40 -1.26 -4.12 117.98 114.16 1x5c s PHE 80 Ca 0.35 0.90 -0.24 0.00 -0.60 0.00 0.00 56.93 57.34 1x5c s PHE 80 Cb 0.07 0.44 -0.08 0.00 0.51 0.00 0.00 43.02 43.97 1x5c s PHE 80 CO 0.12 -0.60 1.18 -1.25 0.70 0.00 0.00 175.22 175.37 1x5c s PRO 81 N -1.63 3.94 -0.11 0.24 0.04 -1.26 -4.84 135.00 131.38 1x5c s PRO 81 Ca -0.07 1.85 0.03 0.00 0.04 0.00 0.00 61.00 62.84 1x5c s PRO 81 Cb -0.00 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1x5c s PRO 81 CO 0.05 -0.42 -0.20 0.99 0.04 0.00 0.00 177.00 177.46 1x5c s THR 82 N -1.44 1.84 -0.05 1.26 2.01 -0.60 -5.03 115.64 113.62 1x5c s THR 82 Ca 0.59 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1x5c s THR 82 Cb -0.31 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1x5c s THR 82 CO 0.38 0.51 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.82 1x5c s LEU 83 N 0.62 2.04 -0.05 4.42 1.43 -1.26 0.78 118.68 126.67 1x5c s LEU 83 Ca -0.13 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1x5c s LEU 83 Cb -0.17 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.78 1x5c s LEU 83 CO 0.04 0.24 -0.01 -0.54 0.23 0.00 0.00 176.35 176.30 1x5c s LYS 84 N -0.17 0.53 -0.14 1.70 1.02 -1.01 -2.68 119.74 118.99 1x5c s LYS 84 Ca -0.03 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.85 1x5c s LYS 84 Cb -0.13 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1x5c s LYS 84 CO 0.03 -0.19 0.44 0.12 -0.92 0.00 0.00 175.35 174.83 1x5c s PHE 85 N 1.39 3.48 -0.38 3.18 5.36 -0.01 -1.98 117.98 129.02 1x5c s PHE 85 Ca -0.04 0.81 -0.09 0.00 -0.96 0.00 0.00 56.93 56.65 1x5c s PHE 85 Cb -0.13 -2.52 0.05 0.00 -0.34 0.00 0.00 43.02 40.08 1x5c s PHE 85 CO -0.02 0.15 0.20 -0.06 -1.46 0.00 0.00 175.22 174.02 1x5c s PHE 86 N 0.72 3.28 1.00 10.12 0.08 0.59 0.21 117.98 133.97 1x5c s PHE 86 Ca 0.24 -1.28 -0.12 0.00 0.12 0.00 0.00 56.93 55.88 1x5c s PHE 86 Cb -0.15 -2.57 0.19 0.00 -0.57 0.00 0.00 43.02 39.93 1x5c s PHE 86 CO 0.09 -0.74 1.09 -1.25 -0.10 0.00 0.00 175.22 174.31 1x5c s PRO 87 N 1.47 0.38 0.00 0.24 0.04 -1.26 -1.73 135.00 134.14 1x5c s PRO 87 Ca 0.01 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1x5c s PRO 87 Cb -0.21 -1.73 -0.19 0.00 0.04 0.00 0.00 34.50 32.41 1x5c s PRO 87 CO 0.04 -2.76 2.81 0.00 0.04 0.00 0.00 177.00 177.13 1x5c n ALA 88 N -4.20 5.04 -2.54 8.56 0.00 -1.26 -4.76 120.51 121.36 1x5c n ALA 88 Ca 0.05 -1.28 -0.20 0.00 0.00 0.00 0.00 53.44 52.01 1x5c n ALA 88 Cb 0.57 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 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 2.19 5.91 0.00 0.00 0.01 -1.26 -3.81 113.70 116.74 1x5c s SER 89 Ca 0.47 -0.20 0.18 0.00 1.31 0.00 0.00 55.95 57.71 1x5c s SER 89 Cb 0.22 -1.27 0.02 0.00 0.21 0.00 0.00 66.02 65.20 1x5c s SER 89 CO 0.00 -0.37 0.96 0.00 0.41 0.00 0.00 173.24 174.24 1x5c n ALA 90 N -1.57 3.15 -1.30 1.44 0.00 -1.26 -4.32 120.51 116.66 1x5c n ALA 90 Ca -0.02 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 1x5c n ALA 90 Cb 0.58 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.48 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 0.12 7.27 -3.70 0.00 -0.08 -1.26 -4.88 116.55 114.02 1x5c n ASP 91 Ca 0.08 -3.75 -0.30 0.00 -1.51 0.00 0.00 54.79 49.32 1x5c n ASP 91 Cb 0.40 -0.97 -0.06 0.00 2.34 0.00 0.00 41.12 42.84 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 -0.90 -1.03 -1.90 -0.67 1.74 -1.26 -4.79 116.66 107.84 1x5c n ARG 92 Ca 0.62 0.10 -0.40 0.00 -0.77 0.00 0.00 57.85 57.39 1x5c n ARG 92 Cb 0.76 -3.80 0.00 0.00 -1.02 0.00 0.00 32.46 28.41 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 -2.65 2.27 -0.04 0.55 2.01 -1.26 -5.02 115.64 111.49 1x5c s THR 93 Ca 0.58 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.86 1x5c s THR 93 Cb -0.34 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1x5c s THR 93 CO 0.71 0.04 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.89 1x5c s VAL 94 N -1.19 0.99 0.02 3.82 1.01 -1.26 -4.15 120.40 119.63 1x5c s VAL 94 Ca 0.57 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1x5c s VAL 94 Cb -0.43 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1x5c s VAL 94 CO 0.56 0.31 -0.01 -0.63 0.00 0.00 0.00 175.10 175.33 1x5c s ILE 95 N 0.37 4.06 -0.10 2.22 1.01 0.13 -4.95 121.20 123.94 1x5c s ILE 95 Ca -0.07 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1x5c s ILE 95 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1x5c s ILE 95 CO 0.02 0.32 0.49 -1.81 0.00 0.00 0.00 174.94 173.96 1x5c s ASP 96 N -1.71 6.73 -0.38 3.58 1.01 -1.26 -0.83 116.67 123.80 1x5c s ASP 96 Ca 0.21 0.86 -0.13 0.00 0.71 0.00 0.00 52.55 54.20 1x5c s ASP 96 Cb -0.11 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.53 1x5c s ASP 96 CO 0.12 0.02 0.25 -0.47 0.21 0.00 0.00 175.17 175.30 1x5c s TYR 97 N 0.51 3.24 -0.54 4.23 6.14 -1.09 -4.90 117.35 124.94 1x5c s TYR 97 Ca 0.27 -0.66 0.06 0.00 0.64 0.00 0.00 57.07 57.38 1x5c s TYR 97 Cb -0.16 -2.51 0.22 0.00 0.42 0.00 0.00 41.96 39.94 1x5c s TYR 97 CO 0.11 -0.57 0.57 0.09 0.64 0.00 0.00 175.55 176.39 1x5c n ASN 98 N 5.09 1.82 0.00 4.32 3.02 -1.26 -4.69 115.26 123.56 1x5c n ASN 98 Ca -0.12 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 1x5c n ASN 98 Cb 0.47 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5c n GLY 99 N 1.54 5.70 0.23 7.41 0.00 -1.26 -5.00 105.19 113.82 1x5c n GLY 99 Ca 0.25 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.86 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 -6.26 1.61 4.11 -1.95 -3.46 114.58 108.63 1x5c h GLU 100 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.98 1x5c h GLU 100 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1x5c h GLU 100 CO 0.00 0.00 -0.86 -2.13 0.07 0.00 0.00 179.01 176.09 1x5c n ARG 101 N -2.72 -3.87 -4.47 1.06 0.63 -1.26 -4.98 116.66 101.04 1x5c n ARG 101 Ca -0.00 0.52 -0.23 0.00 -0.92 0.00 0.00 57.85 57.22 1x5c n ARG 101 Cb 0.19 -4.83 -0.13 0.00 0.45 0.00 0.00 32.46 28.14 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 -3.77 1.47 0.15 5.15 -4.23 -1.26 -4.96 115.64 108.18 1x5c s THR 102 Ca 0.05 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.24 1x5c s THR 102 Cb -0.02 -1.31 0.14 0.00 1.34 0.00 0.00 72.50 72.65 1x5c s THR 102 CO 0.85 0.08 1.01 -0.11 -0.54 0.00 0.00 174.62 175.90 1x5c n LEU 103 N 1.71 -0.45 -0.10 4.79 7.94 -1.26 0.21 117.00 129.84 1x5c n LEU 103 Ca -0.18 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.74 1x5c n LEU 103 Cb 0.54 -0.25 0.01 0.00 0.53 0.00 0.00 43.42 44.25 1x5c n LEU 103 CO 0.23 -1.01 0.57 -0.78 -1.11 0.00 0.00 177.39 175.29 1x5c h ASP 104 N 0.00 0.92 -0.73 1.96 3.58 -1.96 -3.17 116.42 117.03 1x5c h ASP 104 Ca 0.22 -0.41 0.03 0.00 0.42 0.00 0.00 57.03 57.29 1x5c h ASP 104 Cb 0.38 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1x5c h ASP 104 CO -0.64 1.19 0.46 1.23 -2.88 0.00 0.00 179.24 178.59 1x5c h GLY 105 N 0.85 1.06 0.31 -0.78 0.00 0.21 -2.36 103.07 102.36 1x5c h GLY 105 Ca 0.06 -0.34 0.12 0.00 0.00 0.00 0.00 47.33 47.17 1x5c h GLY 105 CO 0.09 0.28 0.38 0.74 0.00 0.00 0.00 176.54 178.03 1x5c h PHE 106 N 0.89 0.66 -0.07 5.60 0.04 -0.31 0.12 116.94 123.87 1x5c h PHE 106 Ca 0.30 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 1x5c h PHE 106 Cb 0.04 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1x5c h PHE 106 CO -0.04 0.18 -0.04 0.87 -0.60 0.00 0.00 178.31 178.68 1x5c h LYS 107 N 0.58 0.10 -0.41 1.51 1.57 -1.48 -1.01 116.57 117.43 1x5c h LYS 107 Ca 0.41 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1x5c h LYS 107 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1x5c h LYS 107 CO -0.33 0.15 0.02 0.87 -0.57 0.00 0.00 179.45 179.58 1x5c h LYS 108 N 0.10 0.71 -0.22 3.15 1.79 -0.60 0.20 116.57 121.70 1x5c h LYS 108 Ca 0.02 -0.22 -0.14 0.00 -2.18 0.00 0.00 60.65 58.13 1x5c h LYS 108 Cb 0.14 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1x5c h LYS 108 CO 0.01 0.79 -0.43 0.35 -1.08 0.00 0.00 179.45 179.08 1x5c h PHE 109 N 0.55 0.85 0.46 -1.35 3.57 -1.07 -3.03 116.94 116.92 1x5c h PHE 109 Ca 0.12 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1x5c h PHE 109 Cb 0.46 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1x5c h PHE 109 CO 0.04 1.08 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.90 1x5c h LEU 110 N 0.38 -0.52 -1.10 0.59 3.38 -1.16 -1.36 115.31 115.51 1x5c h LEU 110 Ca 0.01 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.42 1x5c h LEU 110 Cb 1.03 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 1x5c h LEU 110 CO 0.10 -0.24 0.63 -0.33 0.09 0.00 0.00 178.44 178.69 1x5c h GLU 111 N -0.90 0.03 -0.40 1.13 5.08 -0.73 1.71 114.58 120.50 1x5c h GLU 111 Ca -0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1x5c h GLU 111 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1x5c h GLU 111 CO 0.10 0.02 -0.16 0.77 -1.00 0.00 0.00 179.01 178.74 1x5c h SER 112 N 0.04 0.75 0.00 1.42 0.02 -1.50 -3.47 113.55 110.81 1x5c h SER 112 Ca 0.84 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1x5c h SER 112 Cb 2.33 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.67 1x5c h SER 112 CO -0.68 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 1x5c n GLY 113 N -0.36 1.90 3.21 -3.77 0.00 0.58 -4.64 105.19 102.10 1x5c n GLY 113 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.50 -0.28 3.74 -0.02 0.00 -0.54 -5.00 105.19 102.58 1x5c n GLY 114 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1x5c n GLY 114 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5c s GLN 115 N -5.92 -0.31 -0.29 1.61 -2.07 -1.26 -5.06 119.66 106.35 1x5c s GLN 115 Ca 0.40 -0.15 -0.16 0.00 -1.82 0.00 0.00 55.36 53.63 1x5c s GLN 115 Cb -0.18 -1.71 0.17 0.00 -1.09 0.00 0.00 33.01 30.20 1x5c s GLN 115 CO 0.61 -3.09 1.09 0.45 -1.32 0.00 0.00 175.29 173.02 1x5c s SER 116 N -4.27 -0.34 0.00 12.60 0.15 -1.26 -5.08 113.70 115.50 1x5c s SER 116 Ca 0.71 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1x5c s SER 116 Cb -0.08 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 1x5c s SER 116 CO 0.55 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.51 1x5c n GLY 117 N 3.54 2.86 0.14 9.45 0.00 -1.26 -5.01 105.19 114.90 1x5c n GLY 117 Ca -0.18 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 0.21 -2.53 1.61 -0.04 -1.26 -4.77 135.00 128.23 1x5c n PRO 118 Ca 0.00 0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 63.59 1x5c n PRO 118 Cb 0.00 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1x5c n PRO 118 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5c s SER 119 N -4.33 6.52 -0.16 3.54 0.01 -1.26 -5.03 113.70 112.99 1x5c s SER 119 Ca 0.04 1.34 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 1x5c s SER 119 Cb 0.09 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1x5c s SER 119 CO 0.40 -0.55 -0.03 -1.28 0.41 0.00 0.00 173.24 172.19 1x5c h SER 120 N 0.86 0.00 0.00 2.44 0.87 -2.00 -3.50 113.55 112.22 1x5c h SER 120 Ca -0.47 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1x5c h SER 120 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1x5c h SER 120 CO 0.62 0.96 0.00 0.61 -0.53 0.00 0.00 176.83 178.50