#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 -4.85 -4.62 1.61 7.64 -1.26 -4.84 113.62 107.30 1x5c n SER 2 Ca 0.00 -0.66 -0.54 0.00 1.01 0.00 0.00 58.87 58.68 1x5c n SER 2 Cb 0.00 -4.53 -0.06 0.00 -1.01 0.00 0.00 64.21 58.61 1x5c n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5c n SER 3 N -2.97 1.74 0.00 6.43 2.88 -1.26 -4.63 113.62 115.82 1x5c n SER 3 Ca -0.04 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1x5c n SER 3 Cb 0.57 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 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 2.89 -0.08 3.58 0.46 0.00 -1.26 -5.13 105.19 105.65 1x5c n GLY 4 Ca 0.20 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 6.16 -0.69 1.61 0.01 -1.26 -5.03 113.70 114.49 1x5c s SER 5 Ca 0.00 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1x5c s SER 5 Cb 0.00 -2.18 0.18 0.00 0.21 0.00 0.00 66.02 64.23 1x5c s SER 5 CO 0.00 -0.19 0.53 -0.55 0.41 0.00 0.00 173.24 173.44 1x5c s SER 6 N 1.70 5.43 0.00 2.44 0.15 -1.26 -4.98 113.70 117.18 1x5c s SER 6 Ca 0.11 -3.07 0.00 0.00 0.70 0.00 0.00 55.95 53.69 1x5c s SER 6 Cb -0.16 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1x5c s SER 6 CO 0.11 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1x5c n GLY 7 N 3.20 3.88 0.06 9.45 0.00 -1.26 -4.98 105.19 115.54 1x5c n GLY 7 Ca 0.11 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.04 -6.48 1.61 0.13 -1.89 -3.45 132.00 121.96 1x5c h PRO 8 Ca 0.00 -0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 64.41 1x5c h PRO 8 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1x5c h PRO 8 CO 0.00 0.52 -0.89 0.54 -0.23 0.00 0.00 178.00 177.94 1x5c s VAL 9 N -4.25 2.07 0.48 1.56 0.11 -1.26 -2.62 120.40 116.48 1x5c s VAL 9 Ca -0.16 -1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 57.58 1x5c s VAL 9 Cb 0.02 -1.72 -0.08 0.00 -1.53 0.00 0.00 36.38 33.08 1x5c s VAL 9 CO 0.68 0.58 1.08 -0.75 -3.33 0.00 0.00 175.10 173.36 1x5c s LYS 10 N -0.51 3.77 -0.41 1.54 2.20 -0.78 -4.85 119.74 120.70 1x5c s LYS 10 Ca 0.07 1.51 -0.07 0.00 -0.36 0.00 0.00 55.97 57.12 1x5c s LYS 10 Cb -0.11 -2.21 0.09 0.00 -1.51 0.00 0.00 37.83 34.09 1x5c s LYS 10 CO 0.00 -0.48 0.23 0.08 -0.36 0.00 0.00 175.35 174.82 1x5c s VAL 11 N -1.81 3.82 0.24 4.02 1.01 -1.26 0.03 120.40 126.45 1x5c s VAL 11 Ca 0.66 -1.65 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1x5c s VAL 11 Cb -0.21 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1x5c s VAL 11 CO 0.25 -0.56 0.76 -0.76 0.00 0.00 0.00 175.10 174.79 1x5c s LEU 12 N 1.31 4.34 0.15 3.92 1.43 0.03 -4.95 118.68 124.92 1x5c s LEU 12 Ca 0.04 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.70 1x5c s LEU 12 Cb -0.23 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1x5c s LEU 12 CO -0.01 0.02 -0.16 0.68 0.23 0.00 0.00 176.35 177.12 1x5c s VAL 13 N -1.54 1.58 -0.57 -1.59 -7.23 -1.26 -4.44 120.40 105.34 1x5c s VAL 13 Ca 0.44 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1x5c s VAL 13 Cb -0.17 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 35.08 1x5c s VAL 13 CO 0.21 -0.42 1.09 0.61 -0.31 0.00 0.00 175.10 176.29 1x5c n GLY 14 N 0.27 -0.51 0.06 2.32 0.00 -1.26 0.21 105.19 106.28 1x5c n GLY 14 Ca -0.13 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 -0.16 1.61 1.63 -1.94 -3.40 116.57 114.26 1x5c h LYS 15 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1x5c h LYS 15 Cb 0.23 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1x5c h LYS 15 CO 0.00 -0.03 -0.16 0.27 -3.45 0.00 0.00 179.45 176.08 1x5c n ASN 16 N -4.35 2.50 0.23 4.20 6.94 -0.97 -4.79 115.26 119.02 1x5c n ASN 16 Ca -0.01 -3.51 -0.16 0.00 -0.02 0.00 0.00 54.58 50.88 1x5c n ASN 16 Cb 0.02 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 36.81 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 0.91 -1.23 0.00 -2.53 3.57 0.23 -1.71 116.94 116.19 1x5c h PHE 17 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1x5c h PHE 17 Cb 1.30 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 40.52 1x5c h PHE 17 CO 0.62 -0.58 -0.14 0.93 -2.23 0.00 0.00 178.31 176.92 1x5c h GLU 18 N -0.85 0.00 -0.14 1.11 3.07 -1.87 0.13 114.58 116.03 1x5c h GLU 18 Ca -0.05 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1x5c h GLU 18 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1x5c h GLU 18 CO -0.08 0.14 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.16 1x5c h ASP 19 N 0.00 0.20 0.00 1.42 3.32 -1.67 -2.44 116.42 117.24 1x5c h ASP 19 Ca -0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1x5c h ASP 19 Cb 0.31 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1x5c h ASP 19 CO 0.02 0.31 -1.39 0.52 -1.72 0.00 0.00 179.24 176.98 1x5c n VAL 20 N -4.34 1.51 -0.16 -1.35 0.31 -0.71 -4.66 118.33 108.93 1x5c n VAL 20 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1x5c n VAL 20 Cb 0.22 -2.23 -0.08 0.00 -0.91 0.00 0.00 33.84 30.84 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 -0.65 -1.05 3.52 0.00 -0.88 -3.22 119.26 115.99 1x5c h ALA 21 Ca -0.19 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 1x5c h ALA 21 Cb 1.15 1.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.95 1x5c h ALA 21 CO -0.11 -0.90 1.60 -0.06 0.00 0.00 0.00 179.25 179.78 1x5c s PHE 22 N -5.14 2.55 -0.27 0.00 0.08 -0.92 -4.47 117.98 109.81 1x5c s PHE 22 Ca -0.11 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 56.01 1x5c s PHE 22 Cb 0.07 -4.69 0.08 0.00 -0.57 0.00 0.00 43.02 37.91 1x5c s PHE 22 CO 0.50 -1.91 0.01 -0.51 -0.10 0.00 0.00 175.22 173.22 1x5c s ASP 23 N 4.94 3.95 0.30 1.36 1.11 -1.22 -4.76 116.67 122.35 1x5c s ASP 23 Ca 0.48 -1.42 -0.27 0.00 0.18 0.00 0.00 52.55 51.52 1x5c s ASP 23 Cb 0.01 -1.11 -0.14 0.00 1.07 0.00 0.00 42.92 42.74 1x5c s ASP 23 CO -0.06 -0.31 0.91 -1.84 1.18 0.00 0.00 175.17 175.05 1x5c n GLU 24 N 4.69 1.13 -2.33 8.23 0.28 -1.26 -1.39 120.64 129.98 1x5c n GLU 24 Ca -0.07 0.40 -0.14 0.00 -0.16 0.00 0.00 57.16 57.19 1x5c n GLU 24 Cb 0.43 -1.73 -0.00 0.00 1.43 0.00 0.00 31.44 31.57 1x5c n GLU 24 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1x5c n LYS 25 N 0.70 -1.41 -3.65 3.44 4.76 -1.23 -4.99 118.16 115.77 1x5c n LYS 25 Ca 0.11 0.68 -0.04 0.00 -2.87 0.00 0.00 58.31 56.19 1x5c n LYS 25 Cb 0.32 -4.97 -0.06 0.00 -1.84 0.00 0.00 35.03 28.48 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 -4.79 0.49 -0.73 1.97 2.47 -0.49 -4.83 119.74 113.85 1x5c s LYS 26 Ca 0.03 1.29 -0.21 0.00 -1.56 0.00 0.00 55.97 55.52 1x5c s LYS 26 Cb -0.01 0.63 0.10 0.00 -1.46 0.00 0.00 37.83 37.09 1x5c s LYS 26 CO 0.03 -0.21 0.95 -0.80 0.16 0.00 0.00 175.35 175.48 1x5c s ASN 27 N 2.70 6.32 -0.19 1.43 0.01 0.34 -3.94 114.94 121.61 1x5c s ASN 27 Ca -0.05 -1.42 -0.13 0.00 -0.71 0.00 0.00 52.86 50.55 1x5c s ASN 27 Cb -0.12 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 1x5c s ASN 27 CO -0.17 -1.25 0.27 -0.69 -1.51 0.00 0.00 177.10 173.76 1x5c s VAL 28 N 3.30 5.31 -0.47 1.60 1.01 -0.73 -1.13 120.40 129.27 1x5c s VAL 28 Ca 0.23 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1x5c s VAL 28 Cb -0.15 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1x5c s VAL 28 CO 0.03 0.36 0.34 0.12 0.00 0.00 0.00 175.10 175.96 1x5c s PHE 29 N 0.71 3.45 0.50 5.22 5.36 -0.50 -0.66 117.98 132.05 1x5c s PHE 29 Ca 0.15 -1.95 -0.10 0.00 -0.96 0.00 0.00 56.93 54.06 1x5c s PHE 29 Cb -0.13 -3.47 -0.05 0.00 -0.34 0.00 0.00 43.02 39.02 1x5c s PHE 29 CO 0.04 -0.99 0.88 0.08 -1.46 0.00 0.00 175.22 173.77 1x5c s VAL 30 N 1.29 4.75 -0.24 3.12 1.01 -0.90 -1.91 120.40 127.52 1x5c s VAL 30 Ca 0.06 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 1x5c s VAL 30 Cb -0.26 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1x5c s VAL 30 CO -0.01 -0.81 0.09 -0.70 0.00 0.00 0.00 175.10 173.67 1x5c s GLU 31 N -4.48 0.37 -0.69 2.72 2.12 -0.80 -2.45 118.70 115.51 1x5c s GLU 31 Ca 0.53 -0.48 -0.27 0.00 0.36 0.00 0.00 54.97 55.11 1x5c s GLU 31 Cb -0.10 -1.73 0.03 0.00 0.26 0.00 0.00 34.13 32.59 1x5c s GLU 31 CO 0.41 -0.82 1.21 -0.06 -0.54 0.00 0.00 175.26 175.46 1x5c s PHE 32 N 1.96 2.42 0.44 5.30 0.08 0.32 -2.35 117.98 126.15 1x5c s PHE 32 Ca 0.05 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.18 1x5c s PHE 32 Cb -0.17 -4.54 -0.03 0.00 -0.57 0.00 0.00 43.02 37.71 1x5c s PHE 32 CO -0.20 -1.89 0.28 1.52 -0.10 0.00 0.00 175.22 174.83 1x5c s TYR 33 N 5.31 2.47 -0.03 0.36 -0.85 -1.10 -0.53 117.35 122.99 1x5c s TYR 33 Ca 0.35 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.34 1x5c s TYR 33 Cb -0.09 -2.02 -0.00 0.00 0.38 0.00 0.00 41.96 40.23 1x5c s TYR 33 CO 0.17 -0.02 -0.14 0.00 -1.52 0.00 0.00 175.55 174.04 1x5c s ALA 34 N -2.59 1.25 -1.69 9.51 0.00 -1.26 -3.16 121.76 123.83 1x5c s ALA 34 Ca 0.41 -0.58 0.15 0.00 0.00 0.00 0.00 51.96 51.94 1x5c s ALA 34 Cb 0.01 -0.39 0.83 0.00 0.00 0.00 0.00 23.12 23.57 1x5c s ALA 34 CO 0.24 0.25 1.38 -0.35 0.00 0.00 0.00 175.76 177.28 1x5c n PRO 35 N 3.02 0.33 -0.00 0.00 -0.04 -1.26 -2.78 135.00 134.27 1x5c n PRO 35 Ca -0.17 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1x5c n PRO 35 Cb 0.54 -1.50 -0.01 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 -1.16 0.00 -1.65 0.54 4.27 -1.26 -5.01 117.44 113.18 1x5c n TRP 36 Ca 0.09 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.26 1x5c n TRP 36 Cb 0.09 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 29.96 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 11.09 1.49 1.51 0.00 0.00 -1.95 -1.25 103.07 113.96 1x5c h GLY 38 Ca -0.47 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 1x5c h GLY 38 CO 0.95 0.28 0.23 0.45 0.00 0.00 0.00 176.54 178.45 1x5c h HIS 39 N 1.08 0.63 0.02 5.60 3.86 -1.91 -2.78 115.15 121.65 1x5c h HIS 39 Ca 0.43 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1x5c h HIS 39 Cb 0.24 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1x5c h HIS 39 CO -0.01 0.46 -0.01 0.00 0.86 0.00 0.00 177.93 179.23 1x5c h LYS 41 N -0.07 0.00 0.00 0.00 1.57 -1.32 1.48 116.57 118.23 1x5c h LYS 41 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1x5c h LYS 41 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1x5c h LYS 41 CO 0.00 0.00 -1.57 1.04 -0.57 0.00 0.00 179.45 178.35 1x5c n GLN 42 N -3.23 0.63 0.13 3.15 1.13 -0.73 -3.97 117.38 114.50 1x5c n GLN 42 Ca 0.10 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.46 1x5c n GLN 42 Cb 0.93 -1.76 0.23 0.00 0.11 0.00 0.00 30.24 29.76 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 -0.15 1.08 5.85 0.24 -3.32 115.31 119.01 1x5c h LEU 43 Ca -0.20 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1x5c h LEU 43 Cb 1.65 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 1x5c h LEU 43 CO 0.04 0.02 -0.29 0.00 -0.34 0.00 0.00 178.44 177.88 1x5c h ALA 44 N 2.29 -0.29 -0.07 1.25 0.00 -1.00 0.49 119.26 121.93 1x5c h ALA 44 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1x5c h ALA 44 Cb 0.86 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1x5c h ALA 44 CO 0.00 -0.75 -0.07 -1.00 0.00 0.00 0.00 179.25 177.43 1x5c h PRO 45 N -0.35 0.17 -1.00 0.00 0.13 -1.80 -1.99 132.00 127.15 1x5c h PRO 45 Ca 0.10 -0.09 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1x5c h PRO 45 Cb 0.51 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1x5c h PRO 45 CO -0.35 0.60 0.65 0.82 -0.23 0.00 0.00 178.00 179.49 1x5c h ILE 46 N -0.26 1.12 -0.12 -3.56 2.04 -1.62 0.12 117.51 115.22 1x5c h ILE 46 Ca 0.01 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 1x5c h ILE 46 Cb 0.57 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1x5c h ILE 46 CO 0.02 0.22 -0.55 -0.25 0.00 0.00 0.00 178.15 177.59 1x5c h TRP 47 N 1.21 0.44 0.00 1.37 2.91 -0.02 -2.53 115.95 119.33 1x5c h TRP 47 Ca 0.42 -0.16 -0.14 0.00 1.13 0.00 0.00 58.89 60.14 1x5c h TRP 47 Cb 0.10 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 1x5c h TRP 47 CO -0.00 0.82 -0.67 0.22 -1.03 0.00 0.00 178.44 177.78 1x5c h ASP 48 N 0.27 0.00 1.31 2.65 3.58 -0.51 -1.45 116.42 122.27 1x5c h ASP 48 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1x5c h ASP 48 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1x5c h ASP 48 CO 0.09 0.67 -0.39 0.11 -2.88 0.00 0.00 179.24 176.84 1x5c h LYS 49 N 0.00 0.00 0.08 0.28 1.57 -0.66 -3.09 116.57 114.75 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 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1x5c h LYS 49 CO 0.09 0.39 -1.71 1.25 -0.57 0.00 0.00 179.45 178.90 1x5c h LEU 50 N 0.00 0.27 -0.82 2.94 5.85 -1.33 -3.33 115.31 118.88 1x5c h LEU 50 Ca -0.00 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1x5c h LEU 50 Cb 1.15 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1x5c h LEU 50 CO 0.05 1.42 0.29 1.23 -0.34 0.00 0.00 178.44 181.09 1x5c h GLY 51 N 2.10 1.25 2.00 3.75 0.00 -1.30 -2.20 103.07 108.66 1x5c h GLY 51 Ca -0.30 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 1x5c h GLY 51 CO 0.11 0.65 -0.15 1.05 0.00 0.00 0.00 176.54 178.20 1x5c h GLU 52 N 1.13 0.00 -0.10 4.80 4.11 -1.42 0.29 114.58 123.40 1x5c h GLU 52 Ca 0.25 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.54 1x5c h GLU 52 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1x5c h GLU 52 CO -0.02 0.15 -0.58 1.15 0.07 0.00 0.00 179.01 179.79 1x5c h THR 53 N 0.00 1.37 -0.15 -1.06 2.02 -1.51 -3.23 112.91 110.35 1x5c h THR 53 Ca -0.00 -1.90 -0.11 0.00 0.77 0.00 0.00 66.41 65.17 1x5c h THR 53 Cb 0.45 1.93 -0.09 0.00 -1.74 0.00 0.00 68.15 68.70 1x5c h THR 53 CO 0.02 0.57 -0.57 -1.22 0.37 0.00 0.00 175.52 174.69 1x5c n TYR 54 N -3.90 0.53 0.09 3.16 4.02 -0.95 -4.70 117.16 115.41 1x5c n TYR 54 Ca -0.02 -1.64 -0.07 0.00 -0.01 0.00 0.00 57.90 56.16 1x5c n TYR 54 Cb 0.60 -0.27 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.23 0.08 -0.19 -0.72 2.10 -0.97 -3.26 116.57 114.84 1x5c h LYS 55 Ca 0.07 -0.09 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 1x5c h LYS 55 Cb 1.11 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.43 1x5c h LYS 55 CO 0.15 0.90 -0.11 -3.47 -2.00 0.00 0.00 179.45 174.91 1x5c n ASP 56 N -3.58 2.68 -3.14 7.07 2.03 -1.26 -5.00 116.55 115.34 1x5c n ASP 56 Ca -0.02 -3.46 -0.18 0.00 0.52 0.00 0.00 54.79 51.65 1x5c n ASP 56 Cb 0.82 -0.55 0.16 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.04 -3.44 -0.13 -0.67 -0.00 -1.23 -5.03 115.22 103.69 1x5c n HIS 57 Ca 0.24 -0.58 -0.28 0.00 0.46 0.00 0.00 57.72 57.56 1x5c n HIS 57 Cb 0.86 -0.71 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 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 -3.73 0.56 -0.01 1.57 0.28 -1.26 -4.80 120.64 113.25 1x5c n GLU 58 Ca 0.09 0.24 -0.01 0.00 -0.16 0.00 0.00 57.16 57.32 1x5c n GLU 58 Cb 0.36 -1.44 -0.03 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 -4.13 4.17 -4.61 -1.84 0.23 -1.26 -4.95 115.26 102.86 1x5c n ASN 59 Ca -0.52 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.11 1x5c n ASN 59 Cb 0.87 0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 39.27 1x5c n ASN 59 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1x5c s ILE 60 N -2.12 4.47 -0.23 1.53 1.01 -1.26 0.12 121.20 124.73 1x5c s ILE 60 Ca -0.02 1.37 -0.00 0.00 0.00 0.00 0.00 60.65 62.00 1x5c s ILE 60 Cb 0.01 -4.43 0.06 0.00 0.01 0.00 0.00 42.46 38.12 1x5c s ILE 60 CO 0.14 -0.64 -0.02 -0.69 0.00 0.00 0.00 174.94 173.73 1x5c s VAL 61 N 3.77 1.23 0.24 2.92 1.01 -0.29 -4.25 120.40 125.03 1x5c s VAL 61 Ca 0.43 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1x5c s VAL 61 Cb -0.11 -1.59 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 1x5c s VAL 61 CO 0.21 -0.16 0.94 -0.63 0.00 0.00 0.00 175.10 175.45 1x5c s ILE 62 N 1.53 4.07 0.03 2.22 -1.09 -1.26 -1.41 121.20 125.29 1x5c s ILE 62 Ca -0.04 2.08 -0.15 0.00 -2.23 0.00 0.00 60.65 60.31 1x5c s ILE 62 Cb -0.18 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1x5c s ILE 62 CO -0.07 0.49 0.34 0.00 -1.23 0.00 0.00 174.94 174.47 1x5c s ALA 63 N -1.19 -0.81 0.04 9.38 0.00 -0.80 -1.87 121.76 126.52 1x5c s ALA 63 Ca 0.41 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1x5c s ALA 63 Cb -0.26 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1x5c s ALA 63 CO 0.32 -0.40 -0.17 -1.59 0.00 0.00 0.00 175.76 173.93 1x5c s LYS 64 N -2.29 1.12 -0.01 0.00 -2.85 0.11 -1.90 119.74 113.92 1x5c s LYS 64 Ca -0.07 -0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1x5c s LYS 64 Cb -0.02 -1.17 0.00 0.00 -2.06 0.00 0.00 37.83 34.58 1x5c s LYS 64 CO -0.01 0.30 0.03 1.41 0.10 0.00 0.00 175.35 177.17 1x5c s MET 65 N -1.14 0.09 -0.72 1.78 1.75 -0.99 -0.79 119.30 119.28 1x5c s MET 65 Ca 0.04 -0.04 -0.21 0.00 -1.25 0.00 0.00 55.69 54.23 1x5c s MET 65 Cb -0.08 0.04 0.09 0.00 2.84 0.00 0.00 34.83 37.72 1x5c s MET 65 CO 0.01 -0.01 0.96 -0.51 -0.65 0.00 0.00 175.02 174.82 1x5c s ASP 66 N -0.20 6.29 0.43 1.11 1.01 -1.26 -2.69 116.67 121.36 1x5c s ASP 66 Ca -0.02 -1.34 0.30 0.00 0.71 0.00 0.00 52.55 52.19 1x5c s ASP 66 Cb -0.02 -2.39 1.53 0.00 1.01 0.00 0.00 42.92 43.05 1x5c s ASP 66 CO -0.00 -1.29 1.90 -1.28 0.21 0.00 0.00 175.17 174.72 1x5c h SER 67 N 9.31 0.00 0.84 0.27 0.87 -1.71 0.78 113.55 123.91 1x5c h SER 67 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x5c h SER 67 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x5c h SER 67 CO 1.15 0.00 -0.85 0.35 -0.53 0.00 0.00 176.83 176.95 1x5c n THR 68 N -2.57 0.43 0.17 2.23 -2.24 -1.26 -4.07 114.28 106.98 1x5c n THR 68 Ca -0.01 -0.38 0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1x5c n THR 68 Cb 0.10 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.97 2.63 -3.42 6.98 0.00 0.02 -4.99 120.51 119.76 1x5c n ALA 69 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 1x5c n ALA 69 Cb 0.48 -0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.35 0.61 -0.04 0.00 0.01 0.25 -4.94 114.94 108.48 1x5c s ASN 70 Ca -0.00 -0.08 0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1x5c s ASN 70 Cb 0.05 -0.25 -0.02 0.00 0.41 0.00 0.00 41.25 41.45 1x5c s ASN 70 CO 0.32 -0.04 -0.25 -0.70 -1.51 0.00 0.00 177.10 174.92 1x5c s GLU 71 N 0.66 2.24 -0.02 -0.60 2.12 -1.26 -4.20 118.70 117.64 1x5c s GLU 71 Ca -0.07 -0.90 -0.07 0.00 0.36 0.00 0.00 54.97 54.28 1x5c s GLU 71 Cb -0.11 -2.04 0.01 0.00 0.26 0.00 0.00 34.13 32.25 1x5c s GLU 71 CO -0.01 0.47 0.16 0.14 -0.54 0.00 0.00 175.26 175.49 1x5c s VAL 72 N -0.40 0.06 0.15 3.70 -7.23 -1.26 -4.90 120.40 110.52 1x5c s VAL 72 Ca 0.04 -0.46 0.09 0.00 -1.81 0.00 0.00 61.98 59.84 1x5c s VAL 72 Cb -0.11 -0.39 -0.13 0.00 0.56 0.00 0.00 36.38 36.30 1x5c s VAL 72 CO 0.01 -0.25 1.40 1.05 -0.31 0.00 0.00 175.10 176.99 1x5c h GLU 73 N 4.75 0.00 0.00 4.82 9.09 -2.00 -3.15 114.58 128.09 1x5c h GLU 73 Ca -0.29 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.12 1x5c h GLU 73 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1x5c h GLU 73 CO 0.40 0.85 -0.00 0.00 0.05 0.00 0.00 179.01 180.31 1x5c h ALA 74 N 1.15 1.02 -1.71 1.06 0.00 -1.99 -3.38 119.26 115.40 1x5c h ALA 74 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1x5c h ALA 74 Cb 1.53 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 19.06 1x5c h ALA 74 CO 0.11 0.00 -0.39 0.08 0.00 0.00 0.00 179.25 179.05 1x5c s VAL 75 N -4.16 -0.75 -0.39 0.00 1.01 -1.19 -5.00 120.40 109.92 1x5c s VAL 75 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1x5c s VAL 75 Cb 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1x5c s VAL 75 CO 0.42 -0.06 0.25 -0.54 0.00 0.00 0.00 175.10 175.17 1x5c s LYS 76 N 2.67 2.87 -0.19 2.72 -0.14 -1.26 -4.33 119.74 122.08 1x5c s LYS 76 Ca 0.12 -1.07 -0.07 0.00 -1.36 0.00 0.00 55.97 53.59 1x5c s LYS 76 Cb -0.15 -3.84 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 1x5c s LYS 76 CO -0.17 -0.73 0.05 0.08 -0.76 0.00 0.00 175.35 173.82 1x5c s VAL 77 N 1.60 4.58 -0.01 3.17 1.01 -1.26 -4.96 120.40 124.53 1x5c s VAL 77 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1x5c s VAL 77 Cb -0.19 -3.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.98 1x5c s VAL 77 CO 0.08 0.44 0.18 1.41 0.00 0.00 0.00 175.10 177.21 1x5c n HIS 78 N 3.82 0.00 -4.57 5.22 -0.00 -1.26 -5.04 115.22 113.39 1x5c n HIS 78 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.29 1x5c n HIS 78 Cb 0.52 -0.20 -0.11 0.00 -0.00 0.00 0.00 29.99 30.21 1x5c n HIS 78 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1x5c s SER 79 N -2.99 3.54 -0.05 0.41 0.15 -1.26 -5.16 113.70 108.34 1x5c s SER 79 Ca -0.03 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 54.98 1x5c s SER 79 Cb 0.05 -0.33 0.08 0.00 -1.71 0.00 0.00 66.02 64.12 1x5c s SER 79 CO 0.35 -0.44 0.74 -0.36 1.20 0.00 0.00 173.24 174.73 1x5c s PHE 80 N -2.81 -0.58 0.43 3.44 0.08 -1.26 -4.12 117.98 113.15 1x5c s PHE 80 Ca 0.35 0.93 -0.24 0.00 0.12 0.00 0.00 56.93 58.09 1x5c s PHE 80 Cb 0.08 0.44 -0.08 0.00 -0.57 0.00 0.00 43.02 42.89 1x5c s PHE 80 CO 0.17 -0.58 1.17 -1.25 -0.10 0.00 0.00 175.22 174.64 1x5c s PRO 81 N -1.47 3.88 -0.11 0.24 0.04 -1.26 -4.91 135.00 131.42 1x5c s PRO 81 Ca -0.08 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1x5c s PRO 81 Cb -0.00 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1x5c s PRO 81 CO 0.06 -0.46 -0.16 0.99 0.04 0.00 0.00 177.00 177.47 1x5c s THR 82 N -1.48 1.55 -0.05 1.26 2.01 0.31 -5.02 115.64 114.23 1x5c s THR 82 Ca 0.61 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1x5c s THR 82 Cb -0.30 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1x5c s THR 82 CO 0.37 0.45 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.85 1x5c s LEU 83 N 0.88 2.75 -0.03 4.42 1.43 -1.26 0.12 118.68 126.99 1x5c s LEU 83 Ca -0.09 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1x5c s LEU 83 Cb -0.15 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1x5c s LEU 83 CO -0.00 0.34 0.05 -0.54 0.23 0.00 0.00 176.35 176.43 1x5c s LYS 84 N -0.68 -0.04 -0.15 1.70 1.02 -1.02 -3.17 119.74 117.40 1x5c s LYS 84 Ca 0.10 0.28 -0.17 0.00 0.02 0.00 0.00 55.97 56.21 1x5c s LYS 84 Cb -0.11 -0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 36.82 1x5c s LYS 84 CO 0.01 -0.23 0.42 0.12 -0.92 0.00 0.00 175.35 174.74 1x5c s PHE 85 N 1.52 3.47 -0.36 3.18 2.19 -0.05 -2.13 117.98 125.80 1x5c s PHE 85 Ca -0.04 0.76 -0.08 0.00 0.33 0.00 0.00 56.93 57.90 1x5c s PHE 85 Cb -0.13 -2.50 0.04 0.00 -1.31 0.00 0.00 43.02 39.13 1x5c s PHE 85 CO -0.03 0.14 0.16 -0.06 1.83 0.00 0.00 175.22 177.26 1x5c s PHE 86 N 0.75 3.27 0.96 10.12 0.08 0.16 0.28 117.98 133.60 1x5c s PHE 86 Ca 0.22 -1.29 -0.12 0.00 0.12 0.00 0.00 56.93 55.86 1x5c s PHE 86 Cb -0.14 -2.43 0.17 0.00 -0.57 0.00 0.00 43.02 40.04 1x5c s PHE 86 CO 0.08 -0.72 1.09 -1.25 -0.10 0.00 0.00 175.22 174.32 1x5c s PRO 87 N 1.45 0.73 -0.02 0.24 0.04 -1.26 -1.78 135.00 134.41 1x5c s PRO 87 Ca 0.00 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.63 1x5c s PRO 87 Cb -0.20 -1.76 -0.21 0.00 0.04 0.00 0.00 34.50 32.37 1x5c s PRO 87 CO 0.04 -2.55 2.97 0.00 0.04 0.00 0.00 177.00 177.50 1x5c n ALA 88 N -4.07 5.27 -2.73 8.56 0.00 -1.25 -4.77 120.51 121.51 1x5c n ALA 88 Ca 0.06 -1.47 -0.34 0.00 0.00 0.00 0.00 53.44 51.69 1x5c n ALA 88 Cb 0.56 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 1x5c n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x5c s SER 89 N 2.22 4.84 -0.04 0.00 1.04 -1.26 -3.53 113.70 116.97 1x5c s SER 89 Ca 0.53 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.97 1x5c s SER 89 Cb 0.25 -1.45 0.13 0.00 0.10 0.00 0.00 66.02 65.05 1x5c s SER 89 CO -0.00 0.30 0.72 0.00 0.98 0.00 0.00 173.24 175.24 1x5c n ALA 90 N 2.64 2.71 -1.60 5.32 0.00 -1.26 -3.72 120.51 124.60 1x5c n ALA 90 Ca -0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1x5c n ALA 90 Cb 0.53 -1.02 0.14 0.00 0.00 0.00 0.00 19.45 19.10 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 0.08 3.57 -4.07 0.00 9.92 -1.26 -4.95 116.55 119.84 1x5c n ASP 91 Ca 0.04 -3.80 -0.29 0.00 -0.53 0.00 0.00 54.79 50.21 1x5c n ASP 91 Cb 0.38 -0.59 -0.08 0.00 -0.64 0.00 0.00 41.12 40.19 1x5c n ASP 91 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1x5c n ARG 92 N -1.00 -0.89 -2.66 -1.24 1.85 -1.24 -4.86 116.66 106.61 1x5c n ARG 92 Ca 0.38 0.09 -0.34 0.00 -1.00 0.00 0.00 57.85 56.98 1x5c n ARG 92 Cb 0.95 -3.34 -0.05 0.00 -1.05 0.00 0.00 32.46 28.98 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1x5c s THR 93 N -3.84 4.03 -0.03 8.89 2.01 -1.26 -5.07 115.64 120.37 1x5c s THR 93 Ca 0.20 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.49 1x5c s THR 93 Cb -0.12 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.88 1x5c s THR 93 CO 0.86 -0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 1x5c s VAL 94 N -2.04 0.49 0.02 3.82 1.01 -1.26 -4.31 120.40 118.13 1x5c s VAL 94 Ca 0.65 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.50 1x5c s VAL 94 Cb -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1x5c s VAL 94 CO 0.17 0.18 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 1x5c s ILE 95 N 0.46 3.56 -0.18 2.22 1.01 0.14 -4.96 121.20 123.45 1x5c s ILE 95 Ca -0.06 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1x5c s ILE 95 Cb -0.09 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1x5c s ILE 95 CO -0.00 0.34 0.58 -1.81 0.00 0.00 0.00 174.94 174.04 1x5c s ASP 96 N -1.57 6.66 -0.59 3.58 1.01 -1.26 -0.87 116.67 123.62 1x5c s ASP 96 Ca 0.18 0.80 -0.25 0.00 0.71 0.00 0.00 52.55 53.98 1x5c s ASP 96 Cb -0.11 -2.33 0.04 0.00 1.01 0.00 0.00 42.92 41.54 1x5c s ASP 96 CO 0.09 -0.20 1.04 -0.47 0.21 0.00 0.00 175.17 175.84 1x5c s TYR 97 N 1.59 2.68 -0.51 4.23 6.14 -1.19 -4.89 117.35 125.39 1x5c s TYR 97 Ca 0.27 0.01 0.03 0.00 0.64 0.00 0.00 57.07 58.02 1x5c s TYR 97 Cb -0.16 -4.27 0.43 0.00 0.42 0.00 0.00 41.96 38.38 1x5c s TYR 97 CO 0.11 -1.53 1.48 0.09 0.64 0.00 0.00 175.55 176.33 1x5c n ASN 98 N 7.94 5.86 -0.40 4.32 5.03 -1.26 -4.85 115.26 131.90 1x5c n ASN 98 Ca 0.03 -3.76 0.00 0.00 0.87 0.00 0.00 54.58 51.71 1x5c n ASN 98 Cb 0.48 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 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 -0.64 1.51 0.01 7.41 0.00 -1.26 -5.00 105.19 107.22 1x5c n GLY 99 Ca 0.48 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.96 1x5c n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5c n GLU 100 N 0.00 0.13 -3.24 1.61 0.00 -1.26 -4.98 120.64 112.90 1x5c n GLU 100 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 57.16 56.97 1x5c n GLU 100 Cb 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 31.44 29.98 1x5c n GLU 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1x5c n ARG 101 N -1.68 -5.63 -4.60 3.44 0.63 -1.26 -5.03 116.66 102.53 1x5c n ARG 101 Ca 0.03 0.61 -0.24 0.00 -0.92 0.00 0.00 57.85 57.33 1x5c n ARG 101 Cb 0.38 -4.98 -0.14 0.00 0.45 0.00 0.00 32.46 28.17 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 -3.24 1.51 0.24 5.15 -4.23 -1.26 -5.00 115.64 108.80 1x5c s THR 102 Ca 0.33 -1.10 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1x5c s THR 102 Cb -0.14 -1.31 0.35 0.00 1.34 0.00 0.00 72.50 72.73 1x5c s THR 102 CO 0.54 0.18 1.39 -0.11 -0.54 0.00 0.00 174.62 176.08 1x5c n LEU 103 N 1.95 -0.40 0.01 4.79 7.94 -1.26 0.12 117.00 130.14 1x5c n LEU 103 Ca -0.17 1.55 -0.12 0.00 -1.11 0.00 0.00 56.01 56.15 1x5c n LEU 103 Cb 0.54 -0.43 -0.00 0.00 0.53 0.00 0.00 43.42 44.05 1x5c n LEU 103 CO 0.23 -1.45 0.35 -0.78 -1.11 0.00 0.00 177.39 174.62 1x5c h ASP 104 N 0.00 0.68 0.01 1.96 1.82 -1.96 -3.14 116.42 115.80 1x5c h ASP 104 Ca 0.39 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1x5c h ASP 104 Cb 0.62 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1x5c h ASP 104 CO -0.91 1.19 -0.04 1.23 -1.61 0.00 0.00 179.24 179.10 1x5c h GLY 105 N 0.99 0.08 0.83 -0.78 0.00 0.47 -2.62 103.07 102.04 1x5c h GLY 105 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1x5c h GLY 105 CO 0.13 0.03 -0.06 0.74 0.00 0.00 0.00 176.54 177.39 1x5c h PHE 106 N 0.08 0.49 -0.90 5.60 0.04 -0.31 -2.98 116.94 118.96 1x5c h PHE 106 Ca 0.02 -0.11 0.13 0.00 2.80 0.00 0.00 57.97 60.82 1x5c h PHE 106 Cb 0.12 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1x5c h PHE 106 CO 0.00 0.67 0.58 0.87 -0.60 0.00 0.00 178.31 179.83 1x5c h LYS 107 N 0.17 0.73 -0.74 1.51 1.57 -1.51 0.19 116.57 118.50 1x5c h LYS 107 Ca 0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1x5c h LYS 107 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1x5c h LYS 107 CO 0.02 0.49 0.22 0.87 -0.57 0.00 0.00 179.45 180.48 1x5c h LYS 108 N 0.76 1.16 -0.10 3.15 1.57 -1.42 0.29 116.57 121.97 1x5c h LYS 108 Ca 0.45 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.79 1x5c h LYS 108 Cb 0.65 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1x5c h LYS 108 CO -0.21 0.99 -0.65 0.35 -0.57 0.00 0.00 179.45 179.36 1x5c h PHE 109 N 1.10 0.84 0.48 -1.35 3.04 -0.96 -3.08 116.94 117.02 1x5c h PHE 109 Ca 0.24 -0.39 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 1x5c h PHE 109 Cb 0.32 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1x5c h PHE 109 CO 0.03 1.19 -0.23 -0.07 -2.02 0.00 0.00 178.31 177.21 1x5c h LEU 110 N 0.25 -0.55 -1.19 0.59 3.38 -0.58 -2.31 115.31 114.90 1x5c h LEU 110 Ca -0.05 0.02 0.41 0.00 0.09 0.00 0.00 57.88 58.34 1x5c h LEU 110 Cb 1.30 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.04 1x5c h LEU 110 CO 0.13 -0.22 0.69 -0.33 0.09 0.00 0.00 178.44 178.81 1x5c h GLU 111 N -1.00 0.11 -0.19 1.13 5.08 -0.57 0.61 114.58 119.75 1x5c h GLU 111 Ca -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1x5c h GLU 111 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1x5c h GLU 111 CO 0.11 0.07 0.06 0.77 -1.00 0.00 0.00 179.01 179.02 1x5c h SER 112 N 0.11 0.27 0.00 1.42 0.02 -1.51 -3.47 113.55 110.39 1x5c h SER 112 Ca 0.81 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1x5c h SER 112 Cb 2.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.75 1x5c h SER 112 CO -0.57 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.13 1x5c n GLY 113 N -0.60 1.63 2.34 -3.77 0.00 0.21 -4.76 105.19 100.23 1x5c n GLY 113 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.33 3.31 -0.02 0.00 -0.89 -4.98 105.19 102.94 1x5c n GLY 114 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1x5c n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLN 115 N -2.34 -2.71 -3.65 1.61 10.64 -1.26 -5.03 117.38 114.64 1x5c n GLN 115 Ca -0.00 -1.67 -0.02 0.00 -1.83 0.00 0.00 57.00 53.48 1x5c n GLN 115 Cb 0.53 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.36 1x5c n GLN 115 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1x5c s SER 116 N -4.45 -0.21 0.00 2.61 1.04 -1.26 -5.03 113.70 106.40 1x5c s SER 116 Ca 0.67 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1x5c s SER 116 Cb -0.06 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1x5c s SER 116 CO 0.50 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.27 1x5c n GLY 117 N 2.68 3.02 3.69 7.32 0.00 -1.26 -5.13 105.19 115.52 1x5c n GLY 117 Ca -0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.74 4.27 0.77 1.61 0.04 -1.26 -4.97 135.00 133.72 1x5c s PRO 118 Ca 0.00 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1x5c s PRO 118 Cb 0.00 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1x5c s PRO 118 CO 0.00 -0.59 0.28 -1.13 0.04 0.00 0.00 177.00 175.60 1x5c n SER 119 N 5.30 -2.18 -4.11 6.66 3.41 -1.26 -2.08 113.62 119.36 1x5c n SER 119 Ca 0.13 0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 58.91 1x5c n SER 119 Cb 0.43 -1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 1x5c n SER 119 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5c n SER 120 N 0.29 -3.86 0.00 4.04 7.64 -1.26 -5.34 113.62 115.13 1x5c n SER 120 Ca 0.08 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1x5c n SER 120 Cb 0.51 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.58 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64