#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 1.98 -4.50 1.61 7.64 -1.26 -4.86 113.62 114.24 1x5c n SER 2 Ca 0.00 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.78 1x5c n SER 2 Cb 0.00 -1.53 -0.01 0.00 -1.01 0.00 0.00 64.21 61.66 1x5c n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5c s SER 3 N 11.51 6.84 -1.38 6.43 1.04 -1.26 -4.56 113.70 132.31 1x5c s SER 3 Ca 1.01 -2.44 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 1x5c s SER 3 Cb -0.26 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.46 1x5c s SER 3 CO 0.25 -1.02 0.15 0.61 0.98 0.00 0.00 173.24 174.21 1x5c n GLY 4 N 5.09 -0.17 3.57 7.32 0.00 -1.25 -4.72 105.19 115.04 1x5c n GLY 4 Ca 0.36 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.78 5.31 -1.71 1.61 0.01 -1.26 -4.12 113.70 109.75 1x5c s SER 5 Ca 0.21 -1.50 -0.13 0.00 1.31 0.00 0.00 55.95 55.84 1x5c s SER 5 Cb -0.12 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.65 1x5c s SER 5 CO 0.84 -2.74 0.39 -1.20 0.41 0.00 0.00 173.24 170.94 1x5c n SER 6 N 13.44 -0.86 -3.65 2.44 7.64 -1.26 -4.90 113.62 126.46 1x5c n SER 6 Ca 0.44 -1.22 -0.05 0.00 1.01 0.00 0.00 58.87 59.05 1x5c n SER 6 Cb 0.47 -1.82 -0.06 0.00 -1.01 0.00 0.00 64.21 61.79 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 -3.75 -0.62 0.02 0.23 0.00 -1.26 -5.05 107.32 96.89 1x5c s GLY 7 Ca 0.46 2.20 -0.22 0.00 0.00 0.00 0.00 44.72 47.16 1x5c s GLY 7 CO 1.00 2.65 1.32 -0.56 0.00 0.00 0.00 173.10 177.51 1x5c h PRO 8 N 7.62 0.23 -5.61 2.90 0.13 -1.90 -3.43 132.00 131.94 1x5c h PRO 8 Ca -0.23 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 64.12 1x5c h PRO 8 Cb 1.15 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.96 1x5c h PRO 8 CO 0.14 0.65 -0.87 0.54 -0.23 0.00 0.00 178.00 178.23 1x5c s VAL 9 N -4.29 1.89 0.57 1.56 0.11 -1.26 -2.86 120.40 116.12 1x5c s VAL 9 Ca -0.15 -0.96 -0.20 0.00 -2.93 0.00 0.00 61.98 57.75 1x5c s VAL 9 Cb 0.04 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1x5c s VAL 9 CO 0.73 0.53 1.22 -0.54 -3.33 0.00 0.00 175.10 173.71 1x5c s LYS 10 N 0.07 3.10 -0.44 1.54 1.02 -0.81 -4.81 119.74 119.42 1x5c s LYS 10 Ca -0.09 1.88 -0.01 0.00 0.02 0.00 0.00 55.97 57.77 1x5c s LYS 10 Cb -0.15 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 1x5c s LYS 10 CO 0.05 -1.12 0.22 0.08 -0.92 0.00 0.00 175.35 173.66 1x5c s VAL 11 N -1.54 3.15 0.35 3.17 1.01 -1.26 -0.02 120.40 125.27 1x5c s VAL 11 Ca 0.75 -2.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 1x5c s VAL 11 Cb -0.32 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1x5c s VAL 11 CO 0.35 -0.71 0.83 -0.76 0.00 0.00 0.00 175.10 174.81 1x5c s LEU 12 N 0.84 4.06 0.28 3.92 1.43 -0.13 -4.96 118.68 124.12 1x5c s LEU 12 Ca 0.10 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1x5c s LEU 12 Cb -0.22 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 1x5c s LEU 12 CO -0.04 -0.23 0.00 0.68 0.23 0.00 0.00 176.35 176.99 1x5c s VAL 13 N -1.99 1.29 -2.00 -1.59 -7.23 -1.26 -4.46 120.40 103.15 1x5c s VAL 13 Ca 0.56 -2.05 0.12 0.00 -1.81 0.00 0.00 61.98 58.80 1x5c s VAL 13 Cb -0.11 -2.56 0.35 0.00 0.56 0.00 0.00 36.38 34.62 1x5c s VAL 13 CO 0.16 -0.18 1.16 0.61 -0.31 0.00 0.00 175.10 176.54 1x5c n GLY 14 N -0.58 -0.43 0.13 2.32 0.00 -1.26 0.58 105.19 105.95 1x5c n GLY 14 Ca -0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -0.95 0.62 -1.48 1.61 4.81 -1.26 -4.66 118.16 116.85 1x5c n LYS 15 Ca 0.09 0.24 -0.03 0.00 -0.87 0.00 0.00 58.31 57.73 1x5c n LYS 15 Cb 0.04 -1.52 0.10 0.00 0.02 0.00 0.00 35.03 33.67 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 -3.88 2.43 0.20 3.14 6.94 -1.11 -4.87 115.26 118.10 1x5c n ASN 16 Ca -0.50 -3.22 -0.08 0.00 -0.02 0.00 0.00 54.58 50.76 1x5c n ASN 16 Cb 0.92 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 37.88 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 1.55 -0.49 -0.15 -2.53 3.57 -0.13 -2.68 116.94 116.09 1x5c h PHE 17 Ca 0.04 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1x5c h PHE 17 Cb 1.36 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1x5c h PHE 17 CO 0.63 -0.30 0.18 0.93 -2.23 0.00 0.00 178.31 177.52 1x5c h GLU 18 N -0.64 0.00 -0.23 1.11 3.07 -1.90 0.63 114.58 116.61 1x5c h GLU 18 Ca -0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1x5c h GLU 18 Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1x5c h GLU 18 CO 0.09 0.00 0.07 -0.44 -1.40 0.00 0.00 179.01 177.33 1x5c h ASP 19 N 0.00 0.34 0.00 1.42 3.32 -1.79 -2.37 116.42 117.34 1x5c h ASP 19 Ca 0.07 -0.20 -0.22 0.00 0.02 0.00 0.00 57.03 56.70 1x5c h ASP 19 Cb 0.44 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1x5c h ASP 19 CO -0.00 0.45 -1.34 0.52 -1.72 0.00 0.00 179.24 177.15 1x5c n VAL 20 N -4.76 1.51 0.06 -1.35 0.31 -0.59 -4.57 118.33 108.93 1x5c n VAL 20 Ca -0.03 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1x5c n VAL 20 Cb 0.15 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 30.93 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 -0.71 -0.81 -1.12 3.52 0.00 0.06 -3.32 119.26 116.88 1x5c h ALA 21 Ca -0.33 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 53.97 1x5c h ALA 21 Cb 1.19 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 1x5c h ALA 21 CO -0.20 -0.89 1.30 -0.06 0.00 0.00 0.00 179.25 179.40 1x5c s PHE 22 N -4.62 2.34 -0.05 0.00 0.08 -0.89 -4.59 117.98 110.25 1x5c s PHE 22 Ca -0.10 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1x5c s PHE 22 Cb 0.04 -4.57 0.00 0.00 -0.57 0.00 0.00 43.02 37.92 1x5c s PHE 22 CO 0.36 -1.96 -0.15 0.34 -0.10 0.00 0.00 175.22 173.71 1x5c s ASP 23 N 5.28 1.98 0.54 1.36 -1.08 -1.25 -4.64 116.67 118.85 1x5c s ASP 23 Ca 0.48 -0.33 -0.19 0.00 -0.52 0.00 0.00 52.55 51.99 1x5c s ASP 23 Cb -0.03 -0.71 -0.06 0.00 -1.46 0.00 0.00 42.92 40.66 1x5c s ASP 23 CO -0.02 0.10 1.07 -0.70 0.52 0.00 0.00 175.17 176.14 1x5c s GLU 24 N 0.31 3.50 -1.40 4.34 2.12 -1.26 -3.33 118.70 122.98 1x5c s GLU 24 Ca -0.09 1.41 -0.04 0.00 0.36 0.00 0.00 54.97 56.61 1x5c s GLU 24 Cb -0.13 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.23 1x5c s GLU 24 CO 0.03 -0.69 0.32 1.63 -0.54 0.00 0.00 175.26 176.01 1x5c n LYS 25 N -1.38 -3.29 -3.65 4.30 4.76 -1.26 -4.94 118.16 112.69 1x5c n LYS 25 Ca 0.10 0.74 -0.05 0.00 -2.87 0.00 0.00 58.31 56.22 1x5c n LYS 25 Cb 0.52 -5.46 -0.07 0.00 -1.84 0.00 0.00 35.03 28.18 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 -5.50 0.52 -0.86 1.97 2.47 -1.21 -4.82 119.74 112.31 1x5c s LYS 26 Ca 0.20 1.23 -0.19 0.00 -1.56 0.00 0.00 55.97 55.65 1x5c s LYS 26 Cb -0.10 0.49 0.12 0.00 -1.46 0.00 0.00 37.83 36.88 1x5c s LYS 26 CO 0.25 -0.20 1.06 -0.80 0.16 0.00 0.00 175.35 175.82 1x5c s ASN 27 N 2.40 6.53 -0.12 1.43 0.01 0.50 -3.86 114.94 121.82 1x5c s ASN 27 Ca -0.06 -1.85 -0.18 0.00 -0.71 0.00 0.00 52.86 50.06 1x5c s ASN 27 Cb -0.10 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1x5c s ASN 27 CO -0.17 -1.11 0.46 -0.69 -1.51 0.00 0.00 177.10 174.07 1x5c s VAL 28 N 2.83 5.20 -0.45 1.60 1.01 -0.49 -1.65 120.40 128.45 1x5c s VAL 28 Ca 0.29 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1x5c s VAL 28 Cb -0.08 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.62 1x5c s VAL 28 CO -0.05 0.33 0.30 0.12 0.00 0.00 0.00 175.10 175.80 1x5c s PHE 29 N 0.61 3.48 0.58 5.22 5.36 -0.27 -0.59 117.98 132.36 1x5c s PHE 29 Ca 0.25 -2.04 -0.10 0.00 -0.96 0.00 0.00 56.93 54.09 1x5c s PHE 29 Cb -0.15 -3.40 -0.04 0.00 -0.34 0.00 0.00 43.02 39.09 1x5c s PHE 29 CO 0.09 -0.99 0.96 0.08 -1.46 0.00 0.00 175.22 173.91 1x5c s VAL 30 N 1.29 4.76 -0.23 3.12 1.01 -0.91 -1.65 120.40 127.79 1x5c s VAL 30 Ca 0.06 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 1x5c s VAL 30 Cb -0.25 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1x5c s VAL 30 CO -0.02 -1.04 0.11 -0.70 0.00 0.00 0.00 175.10 173.45 1x5c s GLU 31 N -5.00 0.15 -0.83 2.72 2.12 -0.56 -2.66 118.70 114.65 1x5c s GLU 31 Ca 0.53 -0.33 -0.25 0.00 0.36 0.00 0.00 54.97 55.29 1x5c s GLU 31 Cb -0.11 -1.52 0.04 0.00 0.26 0.00 0.00 34.13 32.80 1x5c s GLU 31 CO 0.50 -0.84 1.30 -0.06 -0.54 0.00 0.00 175.26 175.62 1x5c s PHE 32 N 2.10 2.44 0.43 5.30 0.08 0.30 -2.11 117.98 126.52 1x5c s PHE 32 Ca 0.05 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 56.77 1x5c s PHE 32 Cb -0.16 -4.60 0.00 0.00 -0.57 0.00 0.00 43.02 37.69 1x5c s PHE 32 CO -0.23 -1.97 0.51 1.52 -0.10 0.00 0.00 175.22 174.95 1x5c s TYR 33 N 5.20 2.65 -0.03 0.36 -0.85 -1.14 -1.07 117.35 122.47 1x5c s TYR 33 Ca 0.37 -0.47 0.04 0.00 -0.52 0.00 0.00 57.07 56.49 1x5c s TYR 33 Cb -0.06 -2.28 -0.00 0.00 0.38 0.00 0.00 41.96 40.00 1x5c s TYR 33 CO 0.05 -0.35 -0.14 0.00 -1.52 0.00 0.00 175.55 173.59 1x5c s ALA 34 N -2.43 1.26 -1.40 9.51 0.00 -1.26 -3.39 121.76 124.04 1x5c s ALA 34 Ca 0.52 -0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.07 1x5c s ALA 34 Cb -0.07 -0.42 0.73 0.00 0.00 0.00 0.00 23.12 23.37 1x5c s ALA 34 CO 0.31 0.23 1.41 -0.35 0.00 0.00 0.00 175.76 177.36 1x5c n PRO 35 N 3.15 0.20 -0.01 0.00 -0.04 -1.26 -3.32 135.00 133.71 1x5c n PRO 35 Ca -0.18 0.15 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 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 -1.30 0.00 -1.65 0.54 4.27 -1.26 -5.01 117.44 113.03 1x5c n TRP 36 Ca 0.07 0.00 -0.54 0.00 -3.89 0.00 0.00 57.50 53.14 1x5c n TRP 36 Cb 0.12 -0.05 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 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 8.87 -1.06 -0.98 0.00 0.00 -1.94 -1.93 103.07 106.03 1x5c h GLY 38 Ca -0.43 0.47 0.33 0.00 0.00 0.00 0.00 47.33 47.71 1x5c h GLY 38 CO 0.97 -0.38 0.23 1.42 0.00 0.00 0.00 176.54 178.79 1x5c n HIS 39 N -2.93 0.84 -0.29 5.60 8.25 -1.26 0.16 115.22 125.59 1x5c n HIS 39 Ca -0.02 1.18 -0.02 0.00 -0.26 0.00 0.00 57.72 58.60 1x5c n HIS 39 Cb 0.08 -1.37 0.10 0.00 1.12 0.00 0.00 29.99 29.92 1x5c n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5c h LYS 41 N 0.96 0.00 0.00 0.00 1.57 0.23 0.33 116.57 119.66 1x5c h LYS 41 Ca 0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1x5c h LYS 41 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1x5c h LYS 41 CO -0.13 0.00 -0.89 1.96 -0.57 0.00 0.00 179.45 179.82 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -0.95 -3.30 115.11 115.09 1x5c h GLN 42 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1x5c h GLN 42 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1x5c h GLN 42 CO -0.00 0.10 -0.31 1.25 -0.95 0.00 0.00 178.83 178.92 1x5c h LEU 43 N 0.00 0.00 -0.28 1.46 5.85 -0.06 -3.34 115.31 118.94 1x5c h LEU 43 Ca -0.04 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1x5c h LEU 43 Cb 1.16 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1x5c h LEU 43 CO 0.02 0.02 -0.31 0.00 -0.34 0.00 0.00 178.44 177.83 1x5c h ALA 44 N 2.23 -0.23 0.06 1.25 0.00 -1.44 0.51 119.26 121.64 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 0.88 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1x5c h ALA 44 CO 0.00 -0.74 -0.03 -1.00 0.00 0.00 0.00 179.25 177.48 1x5c h PRO 45 N -0.30 -0.08 -0.89 0.00 0.13 -1.80 -2.28 132.00 126.78 1x5c h PRO 45 Ca 0.14 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.39 1x5c h PRO 45 Cb 0.52 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.61 1x5c h PRO 45 CO -0.45 0.37 0.57 0.82 -0.23 0.00 0.00 178.00 179.09 1x5c h ILE 46 N -0.57 0.92 -0.18 -3.56 2.04 -1.63 0.94 117.51 115.47 1x5c h ILE 46 Ca -0.01 -0.28 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1x5c h ILE 46 Cb 0.49 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1x5c h ILE 46 CO 0.01 0.15 -0.54 -0.25 0.00 0.00 0.00 178.15 177.52 1x5c h TRP 47 N 0.82 0.67 0.00 1.37 2.91 0.03 -2.48 115.95 119.27 1x5c h TRP 47 Ca 0.43 -0.24 -0.10 0.00 1.13 0.00 0.00 58.89 60.11 1x5c h TRP 47 Cb 0.52 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1x5c h TRP 47 CO -0.00 0.96 -0.47 0.22 -1.03 0.00 0.00 178.44 178.12 1x5c h ASP 48 N 0.41 0.00 0.84 2.65 3.58 -0.53 -1.67 116.42 121.70 1x5c h ASP 48 Ca 0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1x5c h ASP 48 Cb 1.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1x5c h ASP 48 CO 0.10 0.47 -0.87 0.11 -2.88 0.00 0.00 179.24 176.17 1x5c h LYS 49 N 0.00 0.02 0.17 0.28 1.57 -0.74 -3.17 116.57 114.70 1x5c h LYS 49 Ca -0.00 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 1x5c h LYS 49 Cb 1.01 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1x5c h LYS 49 CO 0.06 0.88 -1.44 1.25 -0.57 0.00 0.00 179.45 179.63 1x5c h LEU 50 N 0.01 0.55 -0.53 2.94 5.85 -1.32 -3.32 115.31 119.49 1x5c h LEU 50 Ca -0.01 -0.65 0.03 0.00 0.84 0.00 0.00 57.88 58.08 1x5c h LEU 50 Cb 1.54 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1x5c h LEU 50 CO 0.12 1.52 0.31 1.23 -0.34 0.00 0.00 178.44 181.28 1x5c h GLY 51 N 1.13 0.75 1.97 3.75 0.00 -1.37 -1.60 103.07 107.70 1x5c h GLY 51 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1x5c h GLY 51 CO 0.21 0.19 0.01 1.05 0.00 0.00 0.00 176.54 178.00 1x5c h GLU 52 N 0.62 0.00 -0.53 4.80 4.11 -1.49 0.81 114.58 122.89 1x5c h GLU 52 Ca 0.21 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.56 1x5c h GLU 52 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1x5c h GLU 52 CO -0.10 0.00 -0.00 1.15 0.07 0.00 0.00 179.01 180.13 1x5c h THR 53 N 0.00 1.26 -0.56 -1.06 2.02 -1.39 -3.13 112.91 110.06 1x5c h THR 53 Ca 0.01 -1.10 -0.36 0.00 0.77 0.00 0.00 66.41 65.72 1x5c h THR 53 Cb 0.03 0.92 -0.23 0.00 -1.74 0.00 0.00 68.15 67.13 1x5c h THR 53 CO -0.00 0.39 -0.15 -1.22 0.37 0.00 0.00 175.52 174.91 1x5c n TYR 54 N -4.28 1.87 0.09 3.16 4.02 -0.74 -4.63 117.16 116.64 1x5c n TYR 54 Ca 0.02 -2.00 -0.08 0.00 -0.01 0.00 0.00 57.90 55.83 1x5c n TYR 54 Cb 0.33 -0.60 -0.03 0.00 -0.02 0.00 0.00 39.34 39.02 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 1.48 0.11 -0.17 -0.72 2.10 -0.81 -3.28 116.57 115.28 1x5c h LYS 55 Ca 0.32 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.77 1x5c h LYS 55 Cb 1.50 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.83 1x5c h LYS 55 CO 0.67 0.95 -0.19 -0.40 -2.00 0.00 0.00 179.45 178.48 1x5c n ASP 56 N -3.56 2.39 -3.00 7.07 5.75 -1.26 -3.79 116.55 120.14 1x5c n ASP 56 Ca -0.02 -3.60 -0.14 0.00 -0.01 0.00 0.00 54.79 51.01 1x5c n ASP 56 Cb 0.84 -0.56 0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1x5c n HIS 57 N -1.10 -3.36 -0.11 2.11 -0.00 -1.24 -5.03 115.22 106.49 1x5c n HIS 57 Ca 0.24 -0.45 -0.23 0.00 0.46 0.00 0.00 57.72 57.74 1x5c n HIS 57 Cb 0.84 -0.53 -0.09 0.00 -0.12 0.00 0.00 29.99 30.09 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 -3.12 0.50 -0.01 1.57 0.28 -1.26 -4.81 120.64 113.79 1x5c n GLU 58 Ca 0.07 0.20 -0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1x5c n GLU 58 Cb 0.27 -1.34 -0.01 0.00 1.43 0.00 0.00 31.44 31.79 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x5c n ASN 59 N -3.88 4.60 -4.58 -1.84 0.23 -1.26 -4.93 115.26 103.60 1x5c n ASN 59 Ca -0.44 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.18 1x5c n ASN 59 Cb 0.84 0.76 -0.04 0.00 -2.08 0.00 0.00 39.78 39.26 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 -2.07 4.55 -0.19 1.53 1.01 -1.26 0.19 121.20 124.96 1x5c s ILE 60 Ca -0.01 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 1x5c s ILE 60 Cb 0.01 -4.37 0.05 0.00 0.01 0.00 0.00 42.46 38.16 1x5c s ILE 60 CO 0.07 -0.67 -0.03 -0.69 0.00 0.00 0.00 174.94 173.62 1x5c s VAL 61 N 3.56 1.04 0.30 2.92 1.01 -0.66 -4.26 120.40 124.30 1x5c s VAL 61 Ca 0.37 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1x5c s VAL 61 Cb -0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 1x5c s VAL 61 CO 0.22 -0.03 0.93 -0.63 0.00 0.00 0.00 175.10 175.60 1x5c s ILE 62 N 1.64 4.19 0.00 2.22 -1.09 -1.26 -1.11 121.20 125.79 1x5c s ILE 62 Ca -0.02 1.88 -0.17 0.00 -2.23 0.00 0.00 60.65 60.11 1x5c s ILE 62 Cb -0.17 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1x5c s ILE 62 CO -0.07 0.24 0.38 0.00 -1.23 0.00 0.00 174.94 174.26 1x5c s ALA 63 N -1.49 -0.94 0.09 9.38 0.00 -0.66 -1.92 121.76 126.23 1x5c s ALA 63 Ca 0.47 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.92 1x5c s ALA 63 Cb -0.21 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1x5c s ALA 63 CO 0.26 -0.33 -0.21 -1.59 0.00 0.00 0.00 175.76 173.88 1x5c s LYS 64 N -1.70 1.18 -0.16 0.00 -2.85 0.98 -1.49 119.74 115.70 1x5c s LYS 64 Ca -0.10 -1.14 -0.07 0.00 -1.00 0.00 0.00 55.97 53.65 1x5c s LYS 64 Cb -0.03 -1.44 0.06 0.00 -2.06 0.00 0.00 37.83 34.36 1x5c s LYS 64 CO 0.03 0.34 0.36 1.41 0.10 0.00 0.00 175.35 177.58 1x5c s MET 65 N -1.80 0.31 -0.83 1.78 1.75 -0.89 -0.95 119.30 118.66 1x5c s MET 65 Ca 0.07 0.76 -0.24 0.00 -1.25 0.00 0.00 55.69 55.03 1x5c s MET 65 Cb -0.10 0.01 0.06 0.00 2.84 0.00 0.00 34.83 37.63 1x5c s MET 65 CO 0.04 -0.19 1.25 0.34 -0.65 0.00 0.00 175.02 175.81 1x5c s ASP 66 N 1.66 6.32 0.51 1.11 2.15 -1.26 -2.86 116.67 124.31 1x5c s ASP 66 Ca -0.07 -1.06 0.22 0.00 0.43 0.00 0.00 52.55 52.07 1x5c s ASP 66 Cb -0.10 -2.52 1.32 0.00 -0.30 0.00 0.00 42.92 41.33 1x5c s ASP 66 CO -0.11 -1.57 2.02 -1.28 -0.17 0.00 0.00 175.17 174.06 1x5c h SER 67 N 9.72 0.06 0.87 -0.34 0.87 -1.75 0.53 113.55 123.50 1x5c h SER 67 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1x5c h SER 67 Cb 1.04 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x5c h SER 67 CO 1.29 0.03 0.00 0.35 -0.53 0.00 0.00 176.83 177.97 1x5c n THR 68 N -4.42 0.78 0.00 2.23 -2.24 -1.26 -2.94 114.28 106.44 1x5c n THR 68 Ca 0.08 0.14 0.04 0.00 -2.27 0.00 0.00 64.05 62.03 1x5c n THR 68 Cb 0.49 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.78 2.30 -2.72 6.98 0.00 0.13 -5.00 120.51 120.42 1x5c n ALA 69 Ca 0.03 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 1x5c n ALA 69 Cb 0.27 -0.26 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 1x5c n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x5c s ASN 70 N -2.85 2.13 -0.15 0.00 2.20 0.14 -4.88 114.94 111.52 1x5c s ASN 70 Ca -0.03 -0.34 0.02 0.00 -0.94 0.00 0.00 52.86 51.57 1x5c s ASN 70 Cb 0.05 -0.44 0.01 0.00 -2.00 0.00 0.00 41.25 38.88 1x5c s ASN 70 CO 0.32 0.18 -0.21 -0.70 -2.94 0.00 0.00 177.10 173.76 1x5c s GLU 71 N -0.17 2.94 0.01 3.55 2.56 -1.26 -4.35 118.70 121.97 1x5c s GLU 71 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 54.97 54.18 1x5c s GLU 71 Cb -0.09 -2.45 -0.01 0.00 2.00 0.00 0.00 34.13 33.58 1x5c s GLU 71 CO 0.01 -0.10 -0.06 0.14 -0.56 0.00 0.00 175.26 174.68 1x5c s VAL 72 N 1.04 0.47 -0.36 3.70 -7.23 -1.26 -4.93 120.40 111.82 1x5c s VAL 72 Ca -0.02 -0.44 0.23 0.00 -1.81 0.00 0.00 61.98 59.94 1x5c s VAL 72 Cb -0.14 -0.43 0.22 0.00 0.56 0.00 0.00 36.38 36.58 1x5c s VAL 72 CO -0.07 0.01 1.41 1.05 -0.31 0.00 0.00 175.10 177.19 1x5c h GLU 73 N 5.64 0.00 0.00 4.82 4.11 -2.01 -3.24 114.58 123.91 1x5c h GLU 73 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 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 0.48 0.01 0.00 0.00 0.07 0.00 0.00 179.01 179.57 1x5c n ALA 74 N -2.13 1.58 -3.64 1.06 0.00 -1.26 -4.54 120.51 111.57 1x5c n ALA 74 Ca 0.03 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1x5c n ALA 74 Cb 0.54 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.31 -0.55 -0.34 0.00 1.01 -1.22 -5.02 120.40 110.96 1x5c s VAL 75 Ca 0.04 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1x5c s VAL 75 Cb 0.09 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1x5c s VAL 75 CO 0.35 0.08 0.18 -0.54 0.00 0.00 0.00 175.10 175.17 1x5c s LYS 76 N 2.53 3.13 -0.25 2.72 -0.14 -1.26 -4.55 119.74 121.92 1x5c s LYS 76 Ca 0.00 -0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1x5c s LYS 76 Cb -0.12 -3.65 0.01 0.00 -1.68 0.00 0.00 37.83 32.38 1x5c s LYS 76 CO -0.11 -0.54 -0.02 0.08 -0.76 0.00 0.00 175.35 174.00 1x5c s VAL 77 N 1.60 3.33 -0.25 3.17 1.01 -1.26 -4.97 120.40 123.03 1x5c s VAL 77 Ca 0.04 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.40 1x5c s VAL 77 Cb -0.18 -2.63 0.49 0.00 0.00 0.00 0.00 36.38 34.06 1x5c s VAL 77 CO 0.07 0.26 1.41 1.41 0.00 0.00 0.00 175.10 178.25 1x5c n HIS 78 N 4.77 0.88 -3.67 5.22 -0.00 -1.26 -5.02 115.22 116.14 1x5c n HIS 78 Ca -0.17 -1.42 -0.01 0.00 -0.00 0.00 0.00 57.72 56.13 1x5c n HIS 78 Cb 0.49 -0.41 -0.01 0.00 -0.00 0.00 0.00 29.99 30.06 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5c s SER 79 N -2.52 -0.11 -0.04 0.41 1.04 -1.26 -5.19 113.70 106.03 1x5c s SER 79 Ca 0.43 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 1x5c s SER 79 Cb 0.38 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.88 1x5c s SER 79 CO 0.01 -0.55 0.74 -0.36 0.98 0.00 0.00 173.24 174.07 1x5c s PHE 80 N -2.79 -0.57 0.39 5.02 0.40 -1.26 -4.10 117.98 115.08 1x5c s PHE 80 Ca 0.13 0.87 -0.26 0.00 -0.60 0.00 0.00 56.93 57.08 1x5c s PHE 80 Cb 0.02 0.45 -0.09 0.00 0.51 0.00 0.00 43.02 43.91 1x5c s PHE 80 CO -0.02 -0.59 1.19 -1.25 0.70 0.00 0.00 175.22 175.26 1x5c s PRO 81 N -1.63 4.10 -0.11 0.24 0.04 -1.26 -4.78 135.00 131.60 1x5c s PRO 81 Ca -0.07 1.91 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1x5c s PRO 81 Cb -0.00 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1x5c s PRO 81 CO 0.04 -0.30 -0.23 0.99 0.04 0.00 0.00 177.00 177.53 1x5c s THR 82 N -1.36 2.05 -0.05 1.26 2.01 -0.23 -5.02 115.64 114.30 1x5c s THR 82 Ca 0.56 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.62 1x5c s THR 82 Cb -0.32 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1x5c s THR 82 CO 0.41 0.56 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.89 1x5c s LEU 83 N 0.45 2.13 -0.04 4.42 1.43 -1.26 0.11 118.68 125.92 1x5c s LEU 83 Ca -0.16 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1x5c s LEU 83 Cb -0.17 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1x5c s LEU 83 CO 0.07 0.27 0.01 -0.54 0.23 0.00 0.00 176.35 176.39 1x5c s LYS 84 N -0.33 0.35 -0.19 1.70 1.02 -1.09 -2.94 119.74 118.26 1x5c s LYS 84 Ca 0.01 0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.95 1x5c s LYS 84 Cb -0.12 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1x5c s LYS 84 CO 0.02 -0.20 0.47 0.12 -0.92 0.00 0.00 175.35 174.84 1x5c s PHE 85 N 1.41 3.39 -0.42 3.18 5.36 -0.10 -2.14 117.98 128.66 1x5c s PHE 85 Ca -0.04 0.73 -0.09 0.00 -0.96 0.00 0.00 56.93 56.57 1x5c s PHE 85 Cb -0.13 -2.60 0.08 0.00 -0.34 0.00 0.00 43.02 40.03 1x5c s PHE 85 CO -0.03 -0.03 0.25 -0.06 -1.46 0.00 0.00 175.22 173.90 1x5c s PHE 86 N 1.39 3.35 1.08 10.12 0.08 0.24 -0.62 117.98 133.62 1x5c s PHE 86 Ca 0.22 -1.58 -0.15 0.00 0.12 0.00 0.00 56.93 55.55 1x5c s PHE 86 Cb -0.15 -2.97 0.23 0.00 -0.57 0.00 0.00 43.02 39.56 1x5c s PHE 86 CO 0.09 -0.85 1.10 -1.25 -0.10 0.00 0.00 175.22 174.20 1x5c s PRO 87 N 1.41 -0.24 -0.32 0.24 0.04 -1.26 -1.40 135.00 133.47 1x5c s PRO 87 Ca 0.03 0.29 -0.05 0.00 0.04 0.00 0.00 61.00 61.30 1x5c s PRO 87 Cb -0.23 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 1x5c s PRO 87 CO 0.02 -3.13 2.82 0.00 0.04 0.00 0.00 177.00 176.75 1x5c n ALA 88 N -4.41 5.40 -3.95 8.56 0.00 -1.25 -4.75 120.51 120.10 1x5c n ALA 88 Ca 0.08 -1.75 -0.34 0.00 0.00 0.00 0.00 53.44 51.43 1x5c n ALA 88 Cb 0.58 -2.53 -0.15 0.00 0.00 0.00 0.00 19.45 17.35 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 2.38 3.44 0.00 0.00 0.01 -1.26 -4.01 113.70 114.26 1x5c s SER 89 Ca 0.52 -0.58 0.10 0.00 1.31 0.00 0.00 55.95 57.30 1x5c s SER 89 Cb 0.22 -1.55 0.47 0.00 0.21 0.00 0.00 66.02 65.38 1x5c s SER 89 CO -0.01 -0.00 1.20 0.00 0.41 0.00 0.00 173.24 174.83 1x5c n ALA 90 N 4.65 1.60 -0.08 1.44 0.00 -1.26 -2.97 120.51 123.88 1x5c n ALA 90 Ca -0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 1x5c n ALA 90 Cb 0.50 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.31 4.48 -3.77 0.00 8.00 -1.26 -4.83 116.55 117.87 1x5c n ASP 91 Ca 0.04 -2.55 -0.23 0.00 0.71 0.00 0.00 54.79 52.77 1x5c n ASP 91 Cb 0.08 -0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 1x5c n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x5c n ARG 92 N 0.50 -0.94 -2.61 -1.24 1.74 -1.16 -4.83 116.66 108.12 1x5c n ARG 92 Ca 0.14 0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.90 1x5c n ARG 92 Cb 0.66 -2.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.45 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 -3.83 3.80 -0.05 0.55 2.01 -1.25 -5.06 115.64 111.81 1x5c s THR 93 Ca 0.06 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.79 1x5c s THR 93 Cb -0.04 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1x5c s THR 93 CO 0.71 0.33 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.15 1x5c s VAL 94 N -1.30 1.05 -0.07 3.82 1.01 -1.26 -4.26 120.40 119.40 1x5c s VAL 94 Ca 0.46 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1x5c s VAL 94 Cb -0.27 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1x5c s VAL 94 CO 0.34 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 175.04 1x5c s ILE 95 N 0.41 3.43 -0.01 2.22 1.01 0.21 -4.96 121.20 123.52 1x5c s ILE 95 Ca -0.09 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 1x5c s ILE 95 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1x5c s ILE 95 CO 0.02 0.59 0.79 -1.81 0.00 0.00 0.00 174.94 174.53 1x5c s ASP 96 N -0.63 7.17 -0.39 3.58 1.01 -1.26 -0.93 116.67 125.22 1x5c s ASP 96 Ca 0.09 1.40 -0.11 0.00 0.71 0.00 0.00 52.55 54.65 1x5c s ASP 96 Cb -0.11 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.38 1x5c s ASP 96 CO 0.01 -0.10 0.22 -0.47 0.21 0.00 0.00 175.17 175.05 1x5c s TYR 97 N 0.52 3.25 -0.53 4.23 6.14 -1.15 -4.91 117.35 124.91 1x5c s TYR 97 Ca 0.41 -1.01 0.07 0.00 0.64 0.00 0.00 57.07 57.18 1x5c s TYR 97 Cb -0.20 -2.52 0.24 0.00 0.42 0.00 0.00 41.96 39.91 1x5c s TYR 97 CO 0.22 -0.67 0.63 0.09 0.64 0.00 0.00 175.55 176.46 1x5c n ASN 98 N 5.01 2.05 0.00 4.32 3.02 -1.26 -4.70 115.26 123.69 1x5c n ASN 98 Ca -0.12 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.36 1x5c n ASN 98 Cb 0.46 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.19 5.59 0.29 7.41 0.00 -1.26 -5.00 105.19 113.42 1x5c n GLY 99 Ca 0.26 -1.75 0.17 0.00 0.00 0.00 0.00 46.02 44.70 1x5c n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5c h GLU 100 N 0.00 0.00 -5.82 1.61 4.11 -1.98 -3.47 114.58 109.04 1x5c h GLU 100 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 1x5c h GLU 100 Cb 0.00 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.38 1x5c h GLU 100 CO 0.00 0.04 -0.82 -2.13 0.07 0.00 0.00 179.01 176.17 1x5c n ARG 101 N -3.22 -4.92 -4.28 1.06 0.63 -1.26 -5.01 116.66 99.65 1x5c n ARG 101 Ca -0.01 0.74 -0.19 0.00 -0.92 0.00 0.00 57.85 57.47 1x5c n ARG 101 Cb 0.24 -5.49 -0.13 0.00 0.45 0.00 0.00 32.46 27.54 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 -3.49 1.09 0.25 5.15 -4.23 -1.26 -4.98 115.64 108.16 1x5c s THR 102 Ca 0.10 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 1x5c s THR 102 Cb -0.02 -1.01 0.39 0.00 1.34 0.00 0.00 72.50 73.20 1x5c s THR 102 CO 0.77 -0.08 1.35 -0.11 -0.54 0.00 0.00 174.62 176.01 1x5c n LEU 103 N 1.70 -0.27 0.09 4.79 7.94 -1.26 0.22 117.00 130.21 1x5c n LEU 103 Ca -0.19 1.48 -0.06 0.00 -1.11 0.00 0.00 56.01 56.13 1x5c n LEU 103 Cb 0.55 -0.47 0.07 0.00 0.53 0.00 0.00 43.42 44.10 1x5c n LEU 103 CO 0.22 -1.44 0.39 -0.78 -1.11 0.00 0.00 177.39 174.67 1x5c h ASP 104 N 0.00 0.21 -0.49 1.96 3.58 -1.96 -3.21 116.42 116.51 1x5c h ASP 104 Ca 0.44 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 1x5c h ASP 104 Cb 0.72 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1x5c h ASP 104 CO -0.87 0.86 -0.05 1.23 -2.88 0.00 0.00 179.24 177.53 1x5c h GLY 105 N 1.73 1.02 0.94 -0.78 0.00 0.24 -3.09 103.07 103.13 1x5c h GLY 105 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.57 1x5c h GLY 105 CO 0.11 0.69 0.16 0.74 0.00 0.00 0.00 176.54 178.24 1x5c h PHE 106 N 0.86 0.31 -0.79 5.60 0.04 -0.40 -2.49 116.94 120.08 1x5c h PHE 106 Ca 0.15 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.06 1x5c h PHE 106 Cb 0.57 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.53 1x5c h PHE 106 CO 0.04 0.18 0.37 0.87 -0.60 0.00 0.00 178.31 179.17 1x5c h LYS 107 N 0.34 0.54 -0.12 1.51 1.57 -1.58 -0.61 116.57 118.22 1x5c h LYS 107 Ca 0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1x5c h LYS 107 Cb -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1x5c h LYS 107 CO -0.05 0.36 -0.04 0.87 -0.57 0.00 0.00 179.45 180.01 1x5c h LYS 108 N 0.55 -0.02 -0.03 3.15 1.57 -1.39 0.46 116.57 120.86 1x5c h LYS 108 Ca 0.42 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1x5c h LYS 108 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1x5c h LYS 108 CO -0.36 -0.01 -0.00 0.35 -0.57 0.00 0.00 179.45 178.86 1x5c h PHE 109 N -0.02 -0.01 0.51 -1.35 3.57 -1.04 -2.36 116.94 116.24 1x5c h PHE 109 Ca 0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1x5c h PHE 109 Cb 0.12 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1x5c h PHE 109 CO -0.17 -0.01 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.59 1x5c h LEU 110 N 0.01 -0.58 -1.00 0.59 3.38 -0.90 -2.21 115.31 114.59 1x5c h LEU 110 Ca 0.01 0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.40 1x5c h LEU 110 Cb 0.02 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 40.77 1x5c h LEU 110 CO -0.03 -0.37 0.58 -0.62 0.09 0.00 0.00 178.44 178.09 1x5c n GLU 111 N -4.05 -0.05 -0.11 1.13 1.02 0.16 0.22 120.64 118.96 1x5c n GLU 111 Ca -0.08 1.20 -0.13 0.00 -0.02 0.00 0.00 57.16 58.13 1x5c n GLU 111 Cb 0.27 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.44 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 0.85 0.00 1.62 0.02 -1.25 -3.48 113.55 111.31 1x5c h SER 112 Ca 0.77 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1x5c h SER 112 Cb 2.18 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1x5c h SER 112 CO -0.60 1.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1x5c n GLY 113 N 0.09 1.74 3.08 -3.77 0.00 0.61 -4.69 105.19 102.26 1x5c n GLY 113 Ca -0.03 0.00 -0.15 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 -0.31 -0.25 3.23 -0.02 0.00 -0.89 -4.97 105.19 101.98 1x5c n GLY 114 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.31 2.99 -0.07 1.61 -1.52 -1.26 -4.86 119.66 111.24 1x5c s GLN 115 Ca 0.08 -2.28 -0.11 0.00 -1.95 0.00 0.00 55.36 51.11 1x5c s GLN 115 Cb -0.04 -4.09 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1x5c s GLN 115 CO 0.61 -1.24 -0.21 -1.13 -0.25 0.00 0.00 175.29 173.08 1x5c n SER 116 N 4.12 1.49 -3.48 5.90 3.41 -1.26 -5.10 113.62 118.70 1x5c n SER 116 Ca 0.05 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1x5c n SER 116 Cb 0.42 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1x5c n SER 116 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5c s GLY 117 N -4.44 -0.58 0.00 5.00 0.00 -1.26 -5.01 107.32 101.03 1x5c s GLY 117 Ca -0.17 0.82 0.15 0.00 0.00 0.00 0.00 44.72 45.52 1x5c s GLY 117 CO 0.25 0.48 1.40 -1.55 0.00 0.00 0.00 173.10 173.68 1x5c n PRO 118 N 0.20 0.25 0.04 2.90 -0.04 -1.26 -3.90 135.00 133.20 1x5c n PRO 118 Ca -0.18 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1x5c n PRO 118 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1x5c n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5c n SER 119 N -1.24 0.45 -4.29 3.54 2.88 -1.26 -5.01 113.62 108.69 1x5c n SER 119 Ca 0.08 0.14 -0.37 0.00 -1.33 0.00 0.00 58.87 57.38 1x5c n SER 119 Cb 0.11 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 1x5c n SER 119 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5c n SER 120 N -3.23 -1.17 0.00 -3.46 7.64 -1.25 -5.11 113.62 107.03 1x5c n SER 120 Ca 0.00 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1x5c n SER 120 Cb 0.15 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64