#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 5.15 0.16 1.61 1.04 -1.26 -4.86 113.70 115.54 1x5c s SER 2 Ca 0.00 0.52 -0.24 0.00 0.48 0.00 0.00 55.95 56.71 1x5c s SER 2 Cb 0.00 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.64 1x5c s SER 2 CO 0.00 -2.44 1.59 -1.28 0.98 0.00 0.00 173.24 172.09 1x5c h SER 3 N 15.71 -1.18 -1.19 7.02 0.87 -2.02 -3.40 113.55 129.36 1x5c h SER 3 Ca -0.26 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1x5c h SER 3 Cb 1.18 0.54 -0.23 0.00 -0.44 0.00 0.00 62.40 63.45 1x5c h SER 3 CO 1.20 -0.33 -0.41 -0.83 -0.53 0.00 0.00 176.83 175.92 1x5c s GLY 4 N -2.88 -1.06 -0.02 5.77 0.00 -1.26 -5.04 107.32 102.83 1x5c s GLY 4 Ca -0.15 0.92 -0.32 0.00 0.00 0.00 0.00 44.72 45.16 1x5c s GLY 4 CO 0.67 3.48 1.91 1.44 0.00 0.00 0.00 173.10 180.61 1x5c n SER 5 N 5.40 3.76 -3.82 1.64 7.64 -1.26 -1.48 113.62 125.49 1x5c n SER 5 Ca 0.03 0.95 -0.28 0.00 1.01 0.00 0.00 58.87 60.58 1x5c n SER 5 Cb 0.53 -1.44 0.04 0.00 -1.01 0.00 0.00 64.21 62.32 1x5c n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5c n SER 6 N 6.87 -4.44 -4.14 6.43 7.64 -1.26 -4.97 113.62 119.75 1x5c n SER 6 Ca 0.21 -0.75 -0.33 0.00 1.01 0.00 0.00 58.87 59.01 1x5c n SER 6 Cb 0.34 -4.12 -0.16 0.00 -1.01 0.00 0.00 64.21 59.27 1x5c n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5c s GLY 7 N -3.50 1.46 -0.02 0.23 0.00 -0.55 -5.01 107.32 99.93 1x5c s GLY 7 Ca 0.54 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.71 1x5c s GLY 7 CO 0.81 0.35 1.24 -0.56 0.00 0.00 0.00 173.10 174.94 1x5c h PRO 8 N 7.95 -0.04 -6.42 2.90 0.13 -1.90 -3.45 132.00 131.17 1x5c h PRO 8 Ca -0.42 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.02 1x5c h PRO 8 Cb 1.13 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 31.99 1x5c h PRO 8 CO 0.61 0.43 -0.84 0.54 -0.23 0.00 0.00 178.00 178.50 1x5c s VAL 9 N -4.23 2.43 0.49 1.56 0.11 -1.26 -2.80 120.40 116.69 1x5c s VAL 9 Ca -0.16 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 57.72 1x5c s VAL 9 Cb 0.02 -1.89 -0.07 0.00 -1.53 0.00 0.00 36.38 32.90 1x5c s VAL 9 CO 0.65 0.58 1.10 -0.75 -3.33 0.00 0.00 175.10 173.36 1x5c s LYS 10 N -0.58 3.68 -0.35 1.54 2.36 -0.36 -4.85 119.74 121.18 1x5c s LYS 10 Ca 0.09 1.57 -0.05 0.00 -2.55 0.00 0.00 55.97 55.03 1x5c s LYS 10 Cb -0.11 -2.20 0.06 0.00 -1.05 0.00 0.00 37.83 34.53 1x5c s LYS 10 CO 0.00 -0.57 0.11 0.08 1.55 0.00 0.00 175.35 176.52 1x5c s VAL 11 N -1.76 3.48 0.22 4.02 1.01 -1.26 0.22 120.40 126.33 1x5c s VAL 11 Ca 0.67 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1x5c s VAL 11 Cb -0.23 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1x5c s VAL 11 CO 0.27 -0.29 0.62 -0.76 0.00 0.00 0.00 175.10 174.95 1x5c s LEU 12 N 1.31 4.23 0.22 3.92 1.43 0.12 -4.94 118.68 124.96 1x5c s LEU 12 Ca -0.00 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1x5c s LEU 12 Cb -0.21 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1x5c s LEU 12 CO 0.00 -0.02 -0.11 0.68 0.23 0.00 0.00 176.35 177.13 1x5c s VAL 13 N -1.68 1.62 -1.71 -1.59 -7.23 -1.26 -4.48 120.40 104.06 1x5c s VAL 13 Ca 0.45 -2.17 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1x5c s VAL 13 Cb -0.13 -2.14 0.23 0.00 0.56 0.00 0.00 36.38 34.89 1x5c s VAL 13 CO 0.20 -0.52 1.12 0.61 -0.31 0.00 0.00 175.10 176.20 1x5c n GLY 14 N -0.42 -0.46 0.10 2.32 0.00 -1.26 0.16 105.19 105.63 1x5c n GLY 14 Ca -0.07 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 1.61 3.64 -1.95 -3.41 116.57 116.46 1x5c h LYS 15 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1x5c h LYS 15 Cb 0.05 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1x5c h LYS 15 CO 0.00 1.00 -0.39 0.27 -2.27 0.00 0.00 179.45 178.06 1x5c n ASN 16 N -4.43 1.62 -0.01 4.20 6.94 -1.09 -4.88 115.26 117.62 1x5c n ASN 16 Ca -0.31 -3.11 -0.07 0.00 -0.02 0.00 0.00 54.58 51.07 1x5c n ASN 16 Cb 0.68 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 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 0.51 -0.70 -0.73 -2.53 3.57 0.13 -1.04 116.94 116.15 1x5c h PHE 17 Ca -0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1x5c h PHE 17 Cb 1.17 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 1x5c h PHE 17 CO 0.33 -0.24 0.43 0.93 -2.23 0.00 0.00 178.31 177.53 1x5c h GLU 18 N -0.25 1.00 -0.97 1.11 5.08 -1.90 0.54 114.58 119.19 1x5c h GLU 18 Ca 0.01 -0.09 0.21 0.00 -1.00 0.00 0.00 59.36 58.50 1x5c h GLU 18 Cb 0.29 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1x5c h GLU 18 CO -0.19 0.71 0.62 -0.44 -1.00 0.00 0.00 179.01 178.71 1x5c h ASP 19 N 1.01 0.54 0.00 1.42 3.32 -1.64 -0.67 116.42 120.41 1x5c h ASP 19 Ca 0.26 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1x5c h ASP 19 Cb -0.02 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1x5c h ASP 19 CO -0.05 0.18 -1.22 0.52 -1.72 0.00 0.00 179.24 176.96 1x5c n VAL 20 N -4.62 1.50 -0.12 -1.35 0.31 -0.47 -4.68 118.33 108.91 1x5c n VAL 20 Ca 0.22 0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.51 1x5c n VAL 20 Cb 0.70 -2.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 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 -0.66 -1.01 3.52 0.00 0.05 -3.26 119.26 116.90 1x5c h ALA 21 Ca -0.10 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 1x5c h ALA 21 Cb 1.08 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.83 1x5c h ALA 21 CO -0.06 -0.87 1.30 -0.06 0.00 0.00 0.00 179.25 179.56 1x5c s PHE 22 N -5.00 2.34 -0.25 0.00 0.08 -0.26 -4.56 117.98 110.32 1x5c s PHE 22 Ca -0.11 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.49 1x5c s PHE 22 Cb 0.06 -4.53 0.07 0.00 -0.57 0.00 0.00 43.02 38.06 1x5c s PHE 22 CO 0.47 -1.89 0.02 0.34 -0.10 0.00 0.00 175.22 174.05 1x5c s ASP 23 N 5.76 3.71 0.55 1.36 2.15 -1.23 -4.70 116.67 124.27 1x5c s ASP 23 Ca 0.52 -1.28 -0.19 0.00 0.43 0.00 0.00 52.55 52.04 1x5c s ASP 23 Cb -0.02 -0.96 -0.08 0.00 -0.30 0.00 0.00 42.92 41.56 1x5c s ASP 23 CO -0.07 -0.32 0.65 -1.84 -0.17 0.00 0.00 175.17 173.42 1x5c n GLU 24 N 4.80 0.65 -2.17 4.34 0.00 -1.26 -1.87 120.64 125.13 1x5c n GLU 24 Ca -0.07 0.25 -0.17 0.00 0.00 0.00 0.00 57.16 57.16 1x5c n GLU 24 Cb 0.44 -1.80 -0.02 0.00 0.00 0.00 0.00 31.44 30.06 1x5c n GLU 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1x5c n LYS 25 N -0.18 -1.36 -3.66 3.44 4.76 -1.26 -4.97 118.16 114.94 1x5c n LYS 25 Ca 0.12 0.90 -0.06 0.00 -2.87 0.00 0.00 58.31 56.40 1x5c n LYS 25 Cb 0.46 -5.33 -0.07 0.00 -1.84 0.00 0.00 35.03 28.25 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 -4.60 0.50 -0.90 1.97 2.47 -0.78 -4.89 119.74 113.51 1x5c s LYS 26 Ca 0.00 1.20 -0.19 0.00 -1.56 0.00 0.00 55.97 55.42 1x5c s LYS 26 Cb 0.00 0.46 0.13 0.00 -1.46 0.00 0.00 37.83 36.97 1x5c s LYS 26 CO 0.00 -0.20 1.08 -0.80 0.16 0.00 0.00 175.35 175.59 1x5c s ASN 27 N 2.40 6.60 -0.17 1.43 0.01 0.21 -3.97 114.94 121.46 1x5c s ASN 27 Ca -0.06 -2.01 -0.18 0.00 -0.71 0.00 0.00 52.86 49.90 1x5c s ASN 27 Cb -0.10 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1x5c s ASN 27 CO -0.16 -1.06 0.50 -0.69 -1.51 0.00 0.00 177.10 174.18 1x5c s VAL 28 N 2.61 5.14 -0.48 1.60 1.01 -0.72 -1.87 120.40 127.68 1x5c s VAL 28 Ca 0.31 0.96 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 1x5c s VAL 28 Cb -0.06 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1x5c s VAL 28 CO -0.08 0.24 0.36 0.12 0.00 0.00 0.00 175.10 175.74 1x5c s PHE 29 N 1.22 3.41 0.49 5.22 5.36 -0.45 -0.81 117.98 132.43 1x5c s PHE 29 Ca 0.25 -1.83 -0.09 0.00 -0.96 0.00 0.00 56.93 54.30 1x5c s PHE 29 Cb -0.15 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 38.95 1x5c s PHE 29 CO 0.10 -1.00 0.86 0.08 -1.46 0.00 0.00 175.22 173.80 1x5c s VAL 30 N 1.38 4.78 -0.23 3.12 1.01 -0.93 -1.82 120.40 127.71 1x5c s VAL 30 Ca 0.05 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1x5c s VAL 30 Cb -0.27 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1x5c s VAL 30 CO -0.00 -0.80 0.07 -0.70 0.00 0.00 0.00 175.10 173.67 1x5c s GLU 31 N -4.50 0.47 -0.76 2.72 2.12 -0.81 -2.38 118.70 115.56 1x5c s GLU 31 Ca 0.52 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 55.11 1x5c s GLU 31 Cb -0.10 -1.87 0.05 0.00 0.26 0.00 0.00 34.13 32.46 1x5c s GLU 31 CO 0.41 -0.77 1.21 -0.06 -0.54 0.00 0.00 175.26 175.51 1x5c s PHE 32 N 1.92 2.44 0.51 5.30 0.08 0.40 -2.14 117.98 126.48 1x5c s PHE 32 Ca 0.03 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 56.83 1x5c s PHE 32 Cb -0.17 -4.53 0.03 0.00 -0.57 0.00 0.00 43.02 37.78 1x5c s PHE 32 CO -0.16 -1.93 0.46 1.52 -0.10 0.00 0.00 175.22 175.01 1x5c s TYR 33 N 5.10 1.93 -0.04 0.36 -0.85 -1.08 -0.27 117.35 122.49 1x5c s TYR 33 Ca 0.33 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 56.20 1x5c s TYR 33 Cb -0.09 -2.04 0.00 0.00 0.38 0.00 0.00 41.96 40.21 1x5c s TYR 33 CO 0.10 -0.48 -0.14 0.00 -1.52 0.00 0.00 175.55 173.52 1x5c s ALA 34 N -2.66 1.29 -1.48 9.51 0.00 -1.26 -3.04 121.76 124.11 1x5c s ALA 34 Ca 0.43 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 52.01 1x5c s ALA 34 Cb -0.03 -0.48 0.76 0.00 0.00 0.00 0.00 23.12 23.38 1x5c s ALA 34 CO 0.26 0.20 1.40 -0.35 0.00 0.00 0.00 175.76 177.27 1x5c n PRO 35 N 3.36 0.24 0.00 0.00 -0.04 -1.26 -2.39 135.00 134.91 1x5c n PRO 35 Ca -0.19 0.13 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 -1.26 0.00 -2.36 0.54 4.27 -1.26 -5.02 117.44 112.35 1x5c n TRP 36 Ca 0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.11 0.00 -0.03 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 8.02 0.11 1.17 0.00 0.00 -1.96 -2.51 103.07 107.90 1x5c h GLY 38 Ca -0.37 -0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.02 1x5c h GLY 38 CO 0.88 0.05 0.30 0.45 0.00 0.00 0.00 176.54 178.23 1x5c h HIS 39 N -0.02 0.00 -0.13 5.60 3.86 -1.92 -1.54 115.15 121.00 1x5c h HIS 39 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1x5c h HIS 39 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1x5c h HIS 39 CO -0.03 0.00 -0.01 0.00 0.86 0.00 0.00 177.93 178.76 1x5c h LYS 41 N -0.05 0.00 0.00 0.00 1.57 -1.12 1.30 116.57 118.28 1x5c h LYS 41 Ca 0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1x5c h LYS 41 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1x5c h LYS 41 CO 0.01 0.00 -1.45 1.04 -0.57 0.00 0.00 179.45 178.48 1x5c n GLN 42 N -3.23 0.62 0.12 3.15 6.02 -1.02 -3.92 117.38 119.13 1x5c n GLN 42 Ca 0.08 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1x5c n GLN 42 Cb 0.84 -1.80 0.22 0.00 1.02 0.00 0.00 30.24 30.52 1x5c n GLN 42 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1x5c h LEU 43 N 0.00 0.00 -0.08 1.08 5.85 0.18 -3.32 115.31 119.01 1x5c h LEU 43 Ca -0.17 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1x5c h LEU 43 Cb 1.60 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 1x5c h LEU 43 CO 0.05 0.03 -0.30 0.00 -0.34 0.00 0.00 178.44 177.88 1x5c h ALA 44 N 2.30 -0.36 -0.12 1.25 0.00 -1.07 0.51 119.26 121.78 1x5c h ALA 44 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1x5c h ALA 44 Cb 0.85 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1x5c h ALA 44 CO 0.00 -0.78 -0.11 -1.00 0.00 0.00 0.00 179.25 177.36 1x5c h PRO 45 N -0.40 0.28 -0.99 0.00 0.13 -1.80 -1.86 132.00 127.37 1x5c h PRO 45 Ca 0.08 -0.15 0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1x5c h PRO 45 Cb 0.52 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.60 1x5c h PRO 45 CO -0.31 0.69 0.65 0.82 -0.23 0.00 0.00 178.00 179.62 1x5c h ILE 46 N -0.11 1.19 -0.15 -3.56 2.04 -1.62 0.13 117.51 115.43 1x5c h ILE 46 Ca 0.02 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.28 1x5c h ILE 46 Cb 0.63 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1x5c h ILE 46 CO 0.03 0.23 -0.58 -0.25 0.00 0.00 0.00 178.15 177.58 1x5c h TRP 47 N 1.27 0.62 0.00 1.37 2.91 0.02 -2.43 115.95 119.70 1x5c h TRP 47 Ca 0.39 -0.23 -0.12 0.00 1.13 0.00 0.00 58.89 60.06 1x5c h TRP 47 Cb -0.03 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1x5c h TRP 47 CO -0.00 0.95 -0.57 0.22 -1.03 0.00 0.00 178.44 178.01 1x5c h ASP 48 N 0.37 0.00 1.61 2.65 3.58 -0.61 -1.54 116.42 122.48 1x5c h ASP 48 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1x5c h ASP 48 Cb 1.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 1x5c h ASP 48 CO 0.10 0.57 -0.29 0.11 -2.88 0.00 0.00 179.24 176.86 1x5c h LYS 49 N 0.00 0.00 0.07 0.28 1.57 -0.64 -3.15 116.57 114.70 1x5c h LYS 49 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1x5c h LYS 49 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1x5c h LYS 49 CO 0.07 0.29 -1.72 1.25 -0.57 0.00 0.00 179.45 178.77 1x5c h LEU 50 N 0.00 0.24 -0.48 2.94 5.85 -1.27 -3.34 115.31 119.26 1x5c h LEU 50 Ca -0.00 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1x5c h LEU 50 Cb 1.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1x5c h LEU 50 CO 0.04 1.40 0.18 1.23 -0.34 0.00 0.00 178.44 180.95 1x5c h GLY 51 N 2.21 0.77 2.00 3.75 0.00 -1.34 -2.25 103.07 108.22 1x5c h GLY 51 Ca -0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1x5c h GLY 51 CO 0.11 0.40 -0.04 1.05 0.00 0.00 0.00 176.54 178.06 1x5c h GLU 52 N 0.63 0.00 -0.01 4.80 4.11 -1.48 0.37 114.58 123.00 1x5c h GLU 52 Ca 0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.42 1x5c h GLU 52 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1x5c h GLU 52 CO -0.01 0.04 -0.76 1.15 0.07 0.00 0.00 179.01 179.50 1x5c h THR 53 N 0.00 1.48 0.00 -1.06 2.02 -1.52 -3.27 112.91 110.56 1x5c h THR 53 Ca -0.00 -2.43 -0.00 0.00 0.77 0.00 0.00 66.41 64.75 1x5c h THR 53 Cb 0.19 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1x5c h THR 53 CO 0.01 0.70 -0.22 -1.22 0.37 0.00 0.00 175.52 175.16 1x5c n TYR 54 N -3.71 0.00 0.05 3.16 4.02 -0.66 -4.71 117.16 115.30 1x5c n TYR 54 Ca -0.02 -1.17 -0.03 0.00 -0.01 0.00 0.00 57.90 56.66 1x5c n TYR 54 Cb 0.73 -0.19 0.21 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.41 0.39 -0.19 -0.72 2.10 -0.35 -3.06 116.57 115.15 1x5c h LYS 55 Ca -0.00 -0.16 -0.09 0.00 -2.00 0.00 0.00 60.65 58.39 1x5c h LYS 55 Cb 1.02 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.28 1x5c h LYS 55 CO 0.00 0.67 -0.21 -0.25 -2.00 0.00 0.00 179.45 177.66 1x5c n ASP 56 N -4.08 2.30 -2.96 7.07 9.92 -1.26 -4.98 116.55 122.55 1x5c n ASP 56 Ca -0.01 -3.71 -0.11 0.00 -0.53 0.00 0.00 54.79 50.43 1x5c n ASP 56 Cb 0.44 -0.58 0.10 0.00 -0.64 0.00 0.00 41.12 40.44 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1x5c n HIS 57 N -1.11 -3.04 -0.11 1.24 -0.00 -1.15 -5.03 115.22 106.02 1x5c n HIS 57 Ca 0.26 -0.33 -0.23 0.00 0.46 0.00 0.00 57.72 57.88 1x5c n HIS 57 Cb 0.87 -0.42 -0.08 0.00 -0.12 0.00 0.00 29.99 30.24 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 -2.98 0.50 -0.02 1.57 0.28 -1.26 -4.74 120.64 113.99 1x5c n GLU 58 Ca 0.05 0.22 0.01 0.00 -0.16 0.00 0.00 57.16 57.28 1x5c n GLU 58 Cb 0.21 -1.34 0.01 0.00 1.43 0.00 0.00 31.44 31.76 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x5c n ASN 59 N -4.10 1.58 -4.05 -1.84 0.23 -1.26 -4.96 115.26 100.86 1x5c n ASN 59 Ca -0.42 -1.90 -0.32 0.00 -0.53 0.00 0.00 54.58 51.41 1x5c n ASN 59 Cb 0.78 -0.05 -0.15 0.00 -2.08 0.00 0.00 39.78 38.28 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 -0.95 2.04 -0.21 1.53 1.01 -1.26 0.67 121.20 124.03 1x5c s ILE 60 Ca 0.03 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.17 1x5c s ILE 60 Cb 0.03 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1x5c s ILE 60 CO 0.00 -0.01 -0.11 -0.69 0.00 0.00 0.00 174.94 174.13 1x5c s VAL 61 N 1.17 1.77 0.11 2.92 1.01 -0.78 -4.17 120.40 122.43 1x5c s VAL 61 Ca -0.08 -1.13 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 1x5c s VAL 61 Cb -0.19 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 1x5c s VAL 61 CO -0.06 0.15 0.82 -0.63 0.00 0.00 0.00 175.10 175.38 1x5c s ILE 62 N 1.33 4.53 0.06 2.22 -1.09 -1.26 -1.34 121.20 125.65 1x5c s ILE 62 Ca -0.02 1.77 -0.08 0.00 -2.23 0.00 0.00 60.65 60.08 1x5c s ILE 62 Cb -0.17 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1x5c s ILE 62 CO -0.08 0.41 0.17 0.00 -1.23 0.00 0.00 174.94 174.21 1x5c s ALA 63 N -0.46 -0.22 0.03 9.38 0.00 -0.76 -1.22 121.76 128.52 1x5c s ALA 63 Ca 0.39 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.90 1x5c s ALA 63 Cb -0.22 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1x5c s ALA 63 CO 0.26 -0.41 -0.12 -1.59 0.00 0.00 0.00 175.76 173.90 1x5c s LYS 64 N -3.11 0.84 -0.02 0.00 -2.85 0.13 -1.92 119.74 112.81 1x5c s LYS 64 Ca -0.01 -0.70 -0.03 0.00 -1.00 0.00 0.00 55.97 54.23 1x5c s LYS 64 Cb 0.02 -0.81 0.01 0.00 -2.06 0.00 0.00 37.83 34.98 1x5c s LYS 64 CO -0.07 0.20 0.08 1.41 0.10 0.00 0.00 175.35 177.07 1x5c s MET 65 N -1.10 0.17 -0.64 1.78 1.75 -0.91 -0.71 119.30 119.65 1x5c s MET 65 Ca 0.00 -0.00 -0.21 0.00 -1.25 0.00 0.00 55.69 54.22 1x5c s MET 65 Cb -0.08 0.07 0.08 0.00 2.84 0.00 0.00 34.83 37.75 1x5c s MET 65 CO 0.01 -0.03 0.88 -0.51 -0.65 0.00 0.00 175.02 174.72 1x5c s ASP 66 N -0.26 6.18 0.60 1.11 1.01 -1.26 -2.63 116.67 121.42 1x5c s ASP 66 Ca -0.03 -1.12 0.40 0.00 0.71 0.00 0.00 52.55 52.51 1x5c s ASP 66 Cb -0.02 -2.38 2.12 0.00 1.01 0.00 0.00 42.92 43.64 1x5c s ASP 66 CO 0.00 -1.34 2.22 -1.28 0.21 0.00 0.00 175.17 174.99 1x5c h SER 67 N 9.44 0.00 0.52 0.27 0.87 -1.71 1.12 113.55 124.07 1x5c h SER 67 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x5c h SER 67 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x5c h SER 67 CO 1.15 0.00 -0.37 0.35 -0.53 0.00 0.00 176.83 177.43 1x5c n THR 68 N -2.95 0.00 0.00 2.23 -2.24 -1.26 -3.98 114.28 106.07 1x5c n THR 68 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1x5c n THR 68 Cb 0.10 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1x5c n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5c n ALA 69 N -1.35 1.55 -3.65 6.98 0.00 0.40 -4.99 120.51 119.45 1x5c n ALA 69 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 1x5c n ALA 69 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.01 2.32 -0.15 0.00 0.01 0.36 -4.83 114.94 111.65 1x5c s ASN 70 Ca 0.00 -0.57 -0.05 0.00 -0.71 0.00 0.00 52.86 51.53 1x5c s ASN 70 Cb 0.00 -0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 1x5c s ASN 70 CO 0.00 -0.32 0.03 -0.70 -1.51 0.00 0.00 177.10 174.60 1x5c s GLU 71 N 2.07 3.60 0.01 -0.60 2.56 -1.26 -4.22 118.70 120.87 1x5c s GLU 71 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 54.97 54.62 1x5c s GLU 71 Cb -0.16 -3.04 -0.01 0.00 2.00 0.00 0.00 34.13 32.92 1x5c s GLU 71 CO -0.08 0.43 -0.04 0.14 -0.56 0.00 0.00 175.26 175.15 1x5c s VAL 72 N -0.11 0.25 0.15 3.70 -7.23 -1.26 -4.92 120.40 110.98 1x5c s VAL 72 Ca 0.06 -0.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1x5c s VAL 72 Cb -0.12 -0.30 -0.18 0.00 0.56 0.00 0.00 36.38 36.34 1x5c s VAL 72 CO 0.02 -0.21 1.34 1.05 -0.31 0.00 0.00 175.10 176.99 1x5c h GLU 73 N 5.30 0.05 0.00 4.82 9.09 -2.01 -3.15 114.58 128.68 1x5c h GLU 73 Ca -0.30 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.04 1x5c h GLU 73 Cb 1.20 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1x5c h GLU 73 CO 0.45 0.95 0.03 0.00 0.05 0.00 0.00 179.01 180.50 1x5c n ALA 74 N -2.39 0.99 -3.66 1.06 0.00 -1.26 -4.38 120.51 110.87 1x5c n ALA 74 Ca -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1x5c n ALA 74 Cb 0.87 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.48 -0.65 -0.28 0.00 1.01 -1.19 -5.00 120.40 110.81 1x5c s VAL 75 Ca -0.02 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1x5c s VAL 75 Cb 0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1x5c s VAL 75 CO 0.17 0.05 0.12 -0.54 0.00 0.00 0.00 175.10 174.90 1x5c s LYS 76 N 2.54 3.54 -0.24 2.72 -0.14 -1.26 -4.39 119.74 122.51 1x5c s LYS 76 Ca -0.04 -0.57 -0.03 0.00 -1.36 0.00 0.00 55.97 53.98 1x5c s LYS 76 Cb -0.11 -3.46 0.01 0.00 -1.68 0.00 0.00 37.83 32.59 1x5c s LYS 76 CO -0.14 -0.29 -0.05 0.08 -0.76 0.00 0.00 175.35 174.19 1x5c s VAL 77 N 1.63 3.11 -0.22 3.17 1.01 -1.26 -4.96 120.40 122.88 1x5c s VAL 77 Ca 0.06 -0.81 0.16 0.00 0.00 0.00 0.00 61.98 61.39 1x5c s VAL 77 Cb -0.16 -2.51 0.51 0.00 0.00 0.00 0.00 36.38 34.22 1x5c s VAL 77 CO 0.05 0.28 1.41 1.41 0.00 0.00 0.00 175.10 178.25 1x5c n HIS 78 N 4.73 0.89 -3.66 5.22 -0.00 -1.26 -5.01 115.22 116.14 1x5c n HIS 78 Ca -0.17 -0.86 -0.06 0.00 -0.00 0.00 0.00 57.72 56.63 1x5c n HIS 78 Cb 0.49 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.16 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 -1.90 -0.28 -0.02 0.41 0.01 -1.26 -5.19 113.70 105.47 1x5c s SER 79 Ca 0.41 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.10 1x5c s SER 79 Cb 0.33 0.50 0.07 0.00 0.21 0.00 0.00 66.02 67.13 1x5c s SER 79 CO 0.09 -0.88 0.68 -0.36 0.41 0.00 0.00 173.24 173.18 1x5c s PHE 80 N -3.36 -0.62 0.46 2.43 0.08 -1.26 -4.12 117.98 111.57 1x5c s PHE 80 Ca 0.09 0.96 -0.23 0.00 0.12 0.00 0.00 56.93 57.87 1x5c s PHE 80 Cb -0.02 0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 42.80 1x5c s PHE 80 CO -0.02 -0.64 1.16 -1.25 -0.10 0.00 0.00 175.22 174.37 1x5c s PRO 81 N -1.67 3.78 -0.06 0.24 0.04 -1.26 -4.91 135.00 131.16 1x5c s PRO 81 Ca -0.08 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1x5c s PRO 81 Cb -0.00 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1x5c s PRO 81 CO 0.05 -0.54 -0.16 0.99 0.04 0.00 0.00 177.00 177.39 1x5c s THR 82 N -1.54 1.38 -0.02 1.26 2.01 0.63 -5.02 115.64 114.34 1x5c s THR 82 Ca 0.63 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 62.05 1x5c s THR 82 Cb -0.29 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1x5c s THR 82 CO 0.35 0.40 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.66 1x5c s LEU 83 N 0.29 2.05 -0.03 4.42 1.43 -1.26 0.15 118.68 125.73 1x5c s LEU 83 Ca -0.09 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1x5c s LEU 83 Cb -0.14 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.77 1x5c s LEU 83 CO 0.03 0.31 0.02 -0.54 0.23 0.00 0.00 176.35 176.41 1x5c s LYS 84 N -0.58 0.10 -0.17 1.70 1.02 -1.00 -3.09 119.74 117.73 1x5c s LYS 84 Ca 0.09 0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.09 1x5c s LYS 84 Cb -0.10 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1x5c s LYS 84 CO -0.01 -0.20 0.45 0.12 -0.92 0.00 0.00 175.35 174.80 1x5c s PHE 85 N 1.32 3.43 -0.43 3.18 5.36 -0.39 -2.20 117.98 128.26 1x5c s PHE 85 Ca -0.06 0.75 -0.10 0.00 -0.96 0.00 0.00 56.93 56.57 1x5c s PHE 85 Cb -0.13 -2.56 0.08 0.00 -0.34 0.00 0.00 43.02 40.07 1x5c s PHE 85 CO -0.03 0.05 0.28 -0.06 -1.46 0.00 0.00 175.22 174.00 1x5c s PHE 86 N 1.09 3.33 0.90 10.12 0.08 0.01 -0.63 117.98 132.88 1x5c s PHE 86 Ca 0.23 -1.48 -0.12 0.00 0.12 0.00 0.00 56.93 55.68 1x5c s PHE 86 Cb -0.15 -3.03 0.13 0.00 -0.57 0.00 0.00 43.02 39.40 1x5c s PHE 86 CO 0.09 -0.85 1.09 -1.25 -0.10 0.00 0.00 175.22 174.20 1x5c s PRO 87 N 1.45 1.22 -1.11 0.24 0.04 -1.26 -1.76 135.00 133.81 1x5c s PRO 87 Ca 0.03 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 1x5c s PRO 87 Cb -0.23 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1x5c s PRO 87 CO 0.02 -2.26 2.31 0.00 0.04 0.00 0.00 177.00 177.11 1x5c n ALA 88 N -3.90 5.33 -2.46 8.56 0.00 -1.25 -4.79 120.51 122.01 1x5c n ALA 88 Ca 0.07 -2.64 -0.30 0.00 0.00 0.00 0.00 53.44 50.57 1x5c n ALA 88 Cb 0.55 -3.20 -0.12 0.00 0.00 0.00 0.00 19.45 16.69 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 3.72 0.00 0.00 0.15 -1.26 -4.03 113.70 115.53 1x5c s SER 89 Ca 0.50 -0.58 0.21 0.00 0.70 0.00 0.00 55.95 56.77 1x5c s SER 89 Cb 0.13 -0.47 0.81 0.00 -1.71 0.00 0.00 66.02 64.78 1x5c s SER 89 CO -0.03 0.19 1.58 0.00 1.20 0.00 0.00 173.24 176.18 1x5c n ALA 90 N 0.97 2.53 -1.43 5.45 0.00 -1.26 -3.92 120.51 122.86 1x5c n ALA 90 Ca -0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 53.44 52.56 1x5c n ALA 90 Cb 0.53 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 18.99 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 0.21 5.11 -3.71 0.00 -0.08 -1.26 -4.92 116.55 111.90 1x5c n ASP 91 Ca 0.16 -3.74 -0.29 0.00 -1.51 0.00 0.00 54.79 49.42 1x5c n ASP 91 Cb 0.31 -0.78 -0.06 0.00 2.34 0.00 0.00 41.12 42.93 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1x5c n ARG 92 N -1.00 -0.83 -2.13 -0.67 1.85 -1.25 -4.81 116.66 107.81 1x5c n ARG 92 Ca 0.53 0.09 -0.38 0.00 -1.00 0.00 0.00 57.85 57.10 1x5c n ARG 92 Cb 1.07 -3.18 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 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 -2.93 2.83 -0.01 8.89 2.01 -1.26 -5.04 115.64 120.12 1x5c s THR 93 Ca 0.46 0.64 0.03 0.00 0.31 0.00 0.00 61.69 63.13 1x5c s THR 93 Cb -0.27 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x5c s THR 93 CO 0.73 0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 1x5c s VAL 94 N -1.46 0.82 0.00 3.82 1.01 -1.26 -4.18 120.40 119.15 1x5c s VAL 94 Ca 0.64 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1x5c s VAL 94 Cb -0.32 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1x5c s VAL 94 CO 0.39 0.24 -0.18 -0.63 0.00 0.00 0.00 175.10 174.92 1x5c s ILE 95 N -0.17 2.78 0.01 2.22 1.01 0.19 -4.97 121.20 122.28 1x5c s ILE 95 Ca 0.03 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 1x5c s ILE 95 Cb -0.05 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1x5c s ILE 95 CO -0.00 0.45 0.71 1.51 0.00 0.00 0.00 174.94 177.61 1x5c s ASP 96 N -1.09 7.12 -0.45 3.58 1.47 -1.26 -1.26 116.67 124.77 1x5c s ASP 96 Ca 0.13 1.34 -0.14 0.00 1.18 0.00 0.00 52.55 55.05 1x5c s ASP 96 Cb -0.10 -2.43 0.06 0.00 -0.34 0.00 0.00 42.92 40.10 1x5c s ASP 96 CO 0.03 0.01 0.35 -0.47 0.68 0.00 0.00 175.17 175.77 1x5c s TYR 97 N 0.05 3.25 -0.59 2.11 6.14 -1.18 -4.90 117.35 122.24 1x5c s TYR 97 Ca 0.37 -0.93 0.06 0.00 0.64 0.00 0.00 57.07 57.21 1x5c s TYR 97 Cb -0.19 -2.99 0.25 0.00 0.42 0.00 0.00 41.96 39.45 1x5c s TYR 97 CO 0.21 -0.75 0.72 0.09 0.64 0.00 0.00 175.55 176.45 1x5c n ASN 98 N 5.15 3.15 0.00 4.32 5.03 -1.26 -4.76 115.26 126.89 1x5c n ASN 98 Ca -0.12 -3.32 0.00 0.00 0.87 0.00 0.00 54.58 52.01 1x5c n ASN 98 Cb 0.44 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x5c n GLY 99 N 0.89 5.42 0.21 7.41 0.00 -1.26 -5.02 105.19 112.84 1x5c n GLY 99 Ca 0.28 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.75 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -4.70 1.61 4.11 -1.97 -3.47 114.58 110.17 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 0.11 0.00 0.50 0.00 0.00 28.75 29.36 1x5c h GLU 100 CO 0.00 0.30 -0.53 -2.13 0.07 0.00 0.00 179.01 176.72 1x5c n ARG 101 N -3.70 -5.77 -4.47 1.06 0.63 -1.26 -5.03 116.66 98.12 1x5c n ARG 101 Ca -0.01 0.63 -0.24 0.00 -0.92 0.00 0.00 57.85 57.31 1x5c n ARG 101 Cb 0.41 -5.06 -0.10 0.00 0.45 0.00 0.00 32.46 28.15 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 -3.25 2.30 0.18 5.15 -4.23 -1.26 -4.97 115.64 109.55 1x5c s THR 102 Ca 0.32 -2.32 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1x5c s THR 102 Cb -0.14 -2.37 0.14 0.00 1.34 0.00 0.00 72.50 71.46 1x5c s THR 102 CO 0.55 -0.36 1.64 0.25 -0.54 0.00 0.00 174.62 176.16 1x5c h LEU 103 N 2.23 -0.59 -0.37 4.79 5.85 -1.96 0.35 115.31 125.61 1x5c h LEU 103 Ca -0.40 0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.29 1x5c h LEU 103 Cb 1.25 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1x5c h LEU 103 CO 0.63 -0.20 -0.66 0.44 -0.34 0.00 0.00 178.44 178.31 1x5c h ASP 104 N -0.06 0.69 -0.53 1.25 5.19 -1.96 -3.17 116.42 117.83 1x5c h ASP 104 Ca 0.23 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1x5c h ASP 104 Cb 0.41 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1x5c h ASP 104 CO -0.52 1.17 0.25 1.23 -3.12 0.00 0.00 179.24 178.25 1x5c h GLY 105 N 0.98 0.86 0.94 2.75 0.00 -1.62 -2.81 103.07 104.16 1x5c h GLY 105 Ca -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1x5c h GLY 105 CO 0.13 0.40 0.15 0.74 0.00 0.00 0.00 176.54 177.95 1x5c h PHE 106 N 0.80 0.45 -0.89 5.60 0.04 -0.34 -2.72 116.94 119.89 1x5c h PHE 106 Ca 0.20 -0.02 0.16 0.00 2.80 0.00 0.00 57.97 61.10 1x5c h PHE 106 Cb 0.12 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 38.03 1x5c h PHE 106 CO 0.01 0.41 0.47 0.87 -0.60 0.00 0.00 178.31 179.47 1x5c h LYS 107 N 0.37 0.61 -0.58 1.51 1.57 -1.51 0.14 116.57 118.68 1x5c h LYS 107 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1x5c h LYS 107 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1x5c h LYS 107 CO -0.01 0.41 0.32 0.87 -0.57 0.00 0.00 179.45 180.47 1x5c h LYS 108 N 0.63 0.81 -0.47 3.15 1.57 -1.42 0.44 116.57 121.29 1x5c h LYS 108 Ca 0.50 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1x5c h LYS 108 Cb 0.74 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1x5c h LYS 108 CO -0.38 0.61 -0.10 0.35 -0.57 0.00 0.00 179.45 179.36 1x5c h PHE 109 N 0.78 1.00 0.33 -1.35 3.04 -0.85 -2.93 116.94 116.97 1x5c h PHE 109 Ca 0.20 -0.21 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1x5c h PHE 109 Cb 0.04 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1x5c h PHE 109 CO -0.01 0.97 -0.16 -0.07 -2.02 0.00 0.00 178.31 177.02 1x5c h LEU 110 N 0.73 -0.38 -1.10 0.59 3.38 -0.55 -2.64 115.31 115.34 1x5c h LEU 110 Ca 0.12 0.01 0.42 0.00 0.09 0.00 0.00 57.88 58.52 1x5c h LEU 110 Cb 0.64 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.35 1x5c h LEU 110 CO 0.04 -0.08 0.66 -0.62 0.09 0.00 0.00 178.44 178.53 1x5c n GLU 111 N -4.24 -0.04 -0.12 1.13 1.02 0.15 0.20 120.64 118.73 1x5c n GLU 111 Ca -0.06 1.21 -0.11 0.00 -0.02 0.00 0.00 57.16 58.18 1x5c n GLU 111 Cb 0.18 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.29 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 0.71 0.00 1.62 0.02 -1.53 -3.48 113.55 110.89 1x5c h SER 112 Ca 0.80 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1x5c h SER 112 Cb 2.36 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1x5c h SER 112 CO -0.57 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 1x5c n GLY 113 N -0.14 1.94 1.42 -3.77 0.00 0.53 -4.71 105.19 100.46 1x5c n GLY 113 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1x5c n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLY 114 N -0.48 0.35 3.76 -0.02 0.00 -1.01 -4.97 105.19 102.82 1x5c n GLY 114 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.29 4.09 -0.09 1.61 -1.52 -1.26 -5.02 119.66 113.18 1x5c s GLN 115 Ca 0.01 0.05 -0.02 0.00 -1.95 0.00 0.00 55.36 53.45 1x5c s GLN 115 Cb -0.00 -3.37 -0.01 0.00 -0.22 0.00 0.00 33.01 29.41 1x5c s GLN 115 CO 0.11 0.37 -0.03 1.03 -0.25 0.00 0.00 175.29 176.52 1x5c h SER 116 N 6.22 0.00 0.00 5.90 0.87 -1.96 -3.50 113.55 121.08 1x5c h SER 116 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1x5c h SER 116 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x5c h SER 116 CO 0.72 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.10 1x5c n GLY 117 N 1.77 -0.54 3.68 5.77 0.00 -1.26 -5.12 105.19 109.49 1x5c n GLY 117 Ca -0.01 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.27 4.25 -0.24 1.61 0.04 -1.26 -4.91 135.00 133.21 1x5c s PRO 118 Ca 0.00 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1x5c s PRO 118 Cb 0.00 -3.68 -0.14 0.00 0.04 0.00 0.00 34.50 30.72 1x5c s PRO 118 CO 0.00 -0.66 -0.25 -1.13 0.04 0.00 0.00 177.00 175.00 1x5c n SER 119 N 5.88 2.04 -2.26 6.66 3.41 -1.26 -4.50 113.62 123.59 1x5c n SER 119 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1x5c n SER 119 Cb 0.43 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1x5c n SER 119 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5c n SER 120 N -3.48 7.20 -0.71 4.04 3.41 -1.26 -5.32 113.62 117.50 1x5c n SER 120 Ca -0.45 -3.52 0.13 0.00 -0.26 0.00 0.00 58.87 54.78 1x5c n SER 120 Cb 0.92 -1.03 0.32 0.00 -0.26 0.00 0.00 64.21 64.16 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49