#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c h SER 2 N 0.00 0.00 -0.91 1.61 0.02 -2.10 -3.47 113.55 108.69 1x5c h SER 2 Ca 0.00 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1x5c h SER 2 Cb 0.00 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.33 1x5c h SER 2 CO 0.00 0.63 -0.24 -0.55 -1.14 0.00 0.00 176.83 175.53 1x5c s SER 3 N -5.65 -1.30 0.43 3.07 0.15 -1.26 -5.17 113.70 103.96 1x5c s SER 3 Ca -0.07 0.70 0.08 0.00 0.70 0.00 0.00 55.95 57.36 1x5c s SER 3 Cb 0.01 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 1x5c s SER 3 CO 0.11 -0.24 0.49 -0.83 1.20 0.00 0.00 173.24 173.97 1x5c s GLY 4 N 2.87 2.04 0.00 9.45 0.00 -1.26 -5.06 107.32 115.36 1x5c s GLY 4 Ca 0.17 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1x5c s GLY 4 CO -0.21 -1.61 0.00 -1.26 0.00 0.00 0.00 173.10 170.03 1x5c n SER 5 N -1.73 0.37 -4.05 1.64 2.88 -1.26 -5.10 113.62 106.37 1x5c n SER 5 Ca 0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.24 1x5c n SER 5 Cb 0.61 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.11 1x5c n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5c n SER 6 N -2.60 -5.57 -4.24 -3.46 3.41 -1.26 -5.00 113.62 94.88 1x5c n SER 6 Ca 0.00 0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.60 1x5c n SER 6 Cb 0.24 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.29 1x5c n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5c s GLY 7 N -1.11 2.17 -0.01 5.00 0.00 -1.26 -5.08 107.32 107.04 1x5c s GLY 7 Ca 0.42 -1.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.18 1x5c s GLY 7 CO 0.81 -1.74 1.28 -0.56 0.00 0.00 0.00 173.10 172.89 1x5c h PRO 8 N 2.08 0.06 -5.65 2.90 0.13 -1.90 -3.45 132.00 126.18 1x5c h PRO 8 Ca -0.37 -0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.07 1x5c h PRO 8 Cb 1.25 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.07 1x5c h PRO 8 CO 0.61 0.53 -0.87 0.54 -0.23 0.00 0.00 178.00 178.58 1x5c s VAL 9 N -4.25 1.92 0.52 1.56 0.11 -1.26 -2.69 120.40 116.31 1x5c s VAL 9 Ca -0.16 -0.97 -0.22 0.00 -2.93 0.00 0.00 61.98 57.71 1x5c s VAL 9 Cb 0.02 -1.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 1x5c s VAL 9 CO 0.69 0.53 1.26 -0.54 -3.33 0.00 0.00 175.10 173.71 1x5c s LYS 10 N 0.05 3.33 -0.42 1.54 1.02 -0.87 -4.80 119.74 119.58 1x5c s LYS 10 Ca -0.09 1.98 -0.08 0.00 0.02 0.00 0.00 55.97 57.81 1x5c s LYS 10 Cb -0.15 -2.24 0.09 0.00 -0.52 0.00 0.00 37.83 35.02 1x5c s LYS 10 CO 0.05 -0.96 0.26 0.08 -0.92 0.00 0.00 175.35 173.85 1x5c s VAL 11 N -1.45 3.98 0.24 3.17 1.01 -1.26 -0.14 120.40 125.95 1x5c s VAL 11 Ca 0.70 -1.61 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 1x5c s VAL 11 Cb -0.34 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1x5c s VAL 11 CO 0.40 -0.58 0.79 -0.76 0.00 0.00 0.00 175.10 174.95 1x5c s LEU 12 N 1.35 4.38 0.21 3.92 1.43 -0.33 -4.95 118.68 124.69 1x5c s LEU 12 Ca 0.04 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 1x5c s LEU 12 Cb -0.24 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1x5c s LEU 12 CO 0.00 0.03 -0.13 0.68 0.23 0.00 0.00 176.35 177.17 1x5c s VAL 13 N -1.49 1.66 -1.90 -1.59 -7.23 -1.26 -4.43 120.40 104.17 1x5c s VAL 13 Ca 0.44 -2.19 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1x5c s VAL 13 Cb -0.18 -2.08 0.29 0.00 0.56 0.00 0.00 36.38 34.98 1x5c s VAL 13 CO 0.23 -0.57 1.13 0.61 -0.31 0.00 0.00 175.10 176.18 1x5c n GLY 14 N -0.39 -0.40 0.12 2.32 0.00 -1.26 0.15 105.19 105.74 1x5c n GLY 14 Ca -0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -1.05 0.64 -0.71 1.61 0.00 -1.26 -4.58 118.16 112.81 1x5c n LYS 15 Ca 0.08 0.45 0.05 0.00 0.00 0.00 0.00 58.31 58.89 1x5c n LYS 15 Cb 0.05 -1.73 0.09 0.00 0.00 0.00 0.00 35.03 33.44 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x5c n ASN 16 N -4.06 1.24 0.11 3.14 6.94 -1.06 -4.89 115.26 116.69 1x5c n ASN 16 Ca -0.33 -2.73 -0.14 0.00 -0.02 0.00 0.00 54.58 51.36 1x5c n ASN 16 Cb 0.83 -0.36 -0.08 0.00 -2.36 0.00 0.00 39.78 37.80 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 0.54 -1.28 0.00 -2.53 3.57 0.12 0.04 116.94 117.40 1x5c h PHE 17 Ca -0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1x5c h PHE 17 Cb 1.35 0.54 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 1x5c h PHE 17 CO 0.27 -0.51 -0.13 0.93 -2.23 0.00 0.00 178.31 176.64 1x5c h GLU 18 N -0.66 0.00 -0.58 1.11 3.07 -1.90 0.88 114.58 116.50 1x5c h GLU 18 Ca -0.01 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1x5c h GLU 18 Cb 0.65 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 1x5c h GLU 18 CO -0.22 0.13 0.13 -0.44 -1.40 0.00 0.00 179.01 177.22 1x5c h ASP 19 N 0.00 0.84 0.00 1.42 3.32 -1.53 -2.56 116.42 117.91 1x5c h ASP 19 Ca -0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1x5c h ASP 19 Cb 0.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1x5c h ASP 19 CO 0.02 0.83 -1.23 0.52 -1.72 0.00 0.00 179.24 177.65 1x5c n VAL 20 N -4.26 1.50 -0.05 -1.35 0.31 -0.11 -4.68 118.33 109.70 1x5c n VAL 20 Ca 0.04 0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1x5c n VAL 20 Cb 0.24 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 30.80 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 -0.80 -1.06 3.52 0.00 0.62 -3.26 119.26 117.28 1x5c h ALA 21 Ca -0.11 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 1x5c h ALA 21 Cb 1.09 1.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.79 1x5c h ALA 21 CO -0.06 -0.99 1.49 -0.06 0.00 0.00 0.00 179.25 179.63 1x5c s PHE 22 N -5.34 2.49 -0.05 0.00 0.08 -0.96 -4.54 117.98 109.67 1x5c s PHE 22 Ca -0.13 -0.78 0.05 0.00 0.12 0.00 0.00 56.93 56.19 1x5c s PHE 22 Cb 0.07 -4.65 -0.01 0.00 -0.57 0.00 0.00 43.02 37.86 1x5c s PHE 22 CO 0.53 -1.91 -0.22 -0.51 -0.10 0.00 0.00 175.22 173.01 1x5c s ASP 23 N 5.16 2.72 0.68 1.36 1.01 -1.23 -4.66 116.67 121.70 1x5c s ASP 23 Ca 0.48 -0.45 -0.15 0.00 0.71 0.00 0.00 52.55 53.14 1x5c s ASP 23 Cb -0.00 -0.74 0.01 0.00 1.01 0.00 0.00 42.92 43.20 1x5c s ASP 23 CO -0.08 0.21 1.16 -0.70 0.21 0.00 0.00 175.17 175.97 1x5c s GLU 24 N -0.10 2.57 -1.53 8.23 2.12 -1.26 -3.03 118.70 125.70 1x5c s GLU 24 Ca -0.03 1.58 -0.17 0.00 0.36 0.00 0.00 54.97 56.70 1x5c s GLU 24 Cb -0.13 -1.90 0.16 0.00 0.26 0.00 0.00 34.13 32.52 1x5c s GLU 24 CO 0.03 -1.46 0.59 1.63 -0.54 0.00 0.00 175.26 175.50 1x5c n LYS 25 N -2.43 -2.26 -3.66 4.30 4.76 -1.26 -4.90 118.16 112.71 1x5c n LYS 25 Ca 0.12 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.74 1x5c n LYS 25 Cb 0.51 -4.91 -0.10 0.00 -1.84 0.00 0.00 35.03 28.69 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 -6.69 0.35 -0.85 1.97 2.47 -1.17 -4.87 119.74 110.94 1x5c s LYS 26 Ca 0.65 1.01 -0.19 0.00 -1.56 0.00 0.00 55.97 55.87 1x5c s LYS 26 Cb -0.36 0.29 0.12 0.00 -1.46 0.00 0.00 37.83 36.41 1x5c s LYS 26 CO 0.79 -0.23 1.06 -0.80 0.16 0.00 0.00 175.35 176.33 1x5c s ASN 27 N 2.42 6.50 -0.27 1.43 0.01 0.18 -3.85 114.94 121.37 1x5c s ASN 27 Ca -0.03 -1.79 -0.14 0.00 -0.71 0.00 0.00 52.86 50.19 1x5c s ASN 27 Cb -0.11 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1x5c s ASN 27 CO -0.13 -1.14 0.34 -0.69 -1.51 0.00 0.00 177.10 173.97 1x5c s VAL 28 N 2.95 5.20 -0.53 1.60 1.01 -0.94 -1.27 120.40 128.41 1x5c s VAL 28 Ca 0.29 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1x5c s VAL 28 Cb -0.09 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.76 1x5c s VAL 28 CO -0.04 0.18 0.47 0.12 0.00 0.00 0.00 175.10 175.83 1x5c s PHE 29 N 1.95 3.30 0.57 5.22 5.36 -0.69 -1.07 117.98 132.62 1x5c s PHE 29 Ca 0.14 -1.44 -0.09 0.00 -0.96 0.00 0.00 56.93 54.58 1x5c s PHE 29 Cb -0.16 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.75 1x5c s PHE 29 CO 0.10 -1.01 0.94 0.08 -1.46 0.00 0.00 175.22 173.86 1x5c s VAL 30 N 1.51 4.71 -0.23 3.12 1.01 -0.83 -1.81 120.40 127.88 1x5c s VAL 30 Ca 0.04 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1x5c s VAL 30 Cb -0.29 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1x5c s VAL 30 CO 0.02 -1.00 0.11 -0.70 0.00 0.00 0.00 175.10 173.53 1x5c s GLU 31 N -5.02 0.18 -0.79 2.72 2.12 -0.67 -2.41 118.70 114.84 1x5c s GLU 31 Ca 0.52 -0.34 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 1x5c s GLU 31 Cb -0.11 -1.54 0.03 0.00 0.26 0.00 0.00 34.13 32.77 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 2.09 2.34 0.47 5.30 0.08 0.29 -2.28 117.98 126.25 1x5c s PHE 32 Ca 0.05 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.98 1x5c s PHE 32 Cb -0.16 -4.63 0.01 0.00 -0.57 0.00 0.00 43.02 37.67 1x5c s PHE 32 CO -0.22 -2.04 0.48 1.52 -0.10 0.00 0.00 175.22 174.86 1x5c s TYR 33 N 5.56 2.32 -0.03 0.36 -0.85 -1.06 -1.18 117.35 122.47 1x5c s TYR 33 Ca 0.37 -0.58 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1x5c s TYR 33 Cb -0.07 -2.17 -0.00 0.00 0.38 0.00 0.00 41.96 40.10 1x5c s TYR 33 CO 0.10 -0.41 -0.14 0.00 -1.52 0.00 0.00 175.55 173.59 1x5c s ALA 34 N -2.54 1.25 -1.38 9.51 0.00 -1.26 -3.28 121.76 124.07 1x5c s ALA 34 Ca 0.49 -0.56 0.15 0.00 0.00 0.00 0.00 51.96 52.03 1x5c s ALA 34 Cb -0.05 -0.41 0.73 0.00 0.00 0.00 0.00 23.12 23.39 1x5c s ALA 34 CO 0.29 0.24 1.41 -0.35 0.00 0.00 0.00 175.76 177.35 1x5c n PRO 35 N 3.11 0.19 -0.01 0.00 -0.04 -1.26 -3.36 135.00 133.62 1x5c n PRO 35 Ca -0.17 0.16 -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 -1.31 0.00 -1.53 0.54 4.27 -1.26 -5.01 117.44 113.15 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 -0.06 -0.08 0.00 -1.36 0.00 0.00 31.31 29.94 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 10.09 -0.69 -0.28 0.00 0.00 -1.95 -1.45 103.07 108.81 1x5c h GLY 38 Ca -0.33 0.42 0.28 0.00 0.00 0.00 0.00 47.33 47.70 1x5c h GLY 38 CO 1.00 -0.26 0.65 0.45 0.00 0.00 0.00 176.54 178.39 1x5c h HIS 39 N -0.58 0.80 -0.46 5.60 3.86 -1.91 0.28 115.15 122.74 1x5c h HIS 39 Ca 0.03 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 1x5c h HIS 39 Cb 0.61 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1x5c h HIS 39 CO -0.31 0.01 -0.08 0.00 0.86 0.00 0.00 177.93 178.41 1x5c h LYS 41 N 0.71 0.00 0.00 0.00 1.57 0.41 0.74 116.57 120.00 1x5c h LYS 41 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1x5c h LYS 41 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1x5c h LYS 41 CO 0.04 0.00 -0.89 1.96 -0.57 0.00 0.00 179.45 179.99 1x5c h GLN 42 N 0.00 0.00 0.00 3.15 1.08 -1.33 -3.30 115.11 114.71 1x5c h GLN 42 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1x5c h GLN 42 Cb 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1x5c h GLN 42 CO -0.00 0.08 -0.31 1.25 -0.95 0.00 0.00 178.83 178.90 1x5c h LEU 43 N 0.00 0.00 -0.24 1.46 5.85 0.54 -3.34 115.31 119.58 1x5c h LEU 43 Ca -0.03 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1x5c h LEU 43 Cb 1.13 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1x5c h LEU 43 CO 0.01 0.02 -0.31 0.00 -0.34 0.00 0.00 178.44 177.83 1x5c h ALA 44 N 2.27 -0.26 0.04 1.25 0.00 -1.43 0.50 119.26 121.62 1x5c h ALA 44 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x5c h ALA 44 Cb 0.87 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1x5c h ALA 44 CO 0.00 -0.75 -0.02 -1.00 0.00 0.00 0.00 179.25 177.48 1x5c h PRO 45 N -0.32 -0.05 -0.96 0.00 0.13 -1.80 -2.22 132.00 126.79 1x5c h PRO 45 Ca 0.13 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.37 1x5c h PRO 45 Cb 0.53 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.59 1x5c h PRO 45 CO -0.42 0.42 0.61 0.82 -0.23 0.00 0.00 178.00 179.20 1x5c h ILE 46 N -0.54 0.95 -0.15 -3.56 2.04 -1.64 0.17 117.51 114.79 1x5c h ILE 46 Ca -0.00 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 1x5c h ILE 46 Cb 0.49 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1x5c h ILE 46 CO 0.01 0.17 -0.53 -0.25 0.00 0.00 0.00 178.15 177.55 1x5c h TRP 47 N 0.96 0.52 0.00 1.37 2.91 -0.01 -2.60 115.95 119.10 1x5c h TRP 47 Ca 0.46 -0.18 -0.13 0.00 1.13 0.00 0.00 58.89 60.16 1x5c h TRP 47 Cb 0.44 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 1x5c h TRP 47 CO -0.00 0.86 -0.62 0.22 -1.03 0.00 0.00 178.44 177.87 1x5c h ASP 48 N 0.33 0.00 1.03 2.65 1.82 -0.50 -1.60 116.42 120.15 1x5c h ASP 48 Ca 0.01 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 1x5c h ASP 48 Cb 1.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 1x5c h ASP 48 CO 0.09 0.62 -0.53 0.11 -1.61 0.00 0.00 179.24 177.93 1x5c h LYS 49 N 0.00 0.00 0.12 0.28 1.57 -0.59 -3.10 116.57 114.84 1x5c h LYS 49 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1x5c h LYS 49 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x5c h LYS 49 CO 0.08 0.53 -1.69 1.25 -0.57 0.00 0.00 179.45 179.05 1x5c h LEU 50 N 0.00 0.38 -0.70 2.94 5.85 -1.36 -3.34 115.31 119.08 1x5c h LEU 50 Ca -0.01 -0.62 0.01 0.00 0.84 0.00 0.00 57.88 58.10 1x5c h LEU 50 Cb 1.19 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1x5c h LEU 50 CO 0.07 1.53 0.46 1.23 -0.34 0.00 0.00 178.44 181.39 1x5c h GLY 51 N 1.63 0.99 2.00 3.75 0.00 -1.33 -1.58 103.07 108.55 1x5c h GLY 51 Ca -0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1x5c h GLY 51 CO 0.14 0.35 -0.09 1.05 0.00 0.00 0.00 176.54 177.98 1x5c h GLU 52 N 0.94 0.00 -0.21 4.80 4.11 -1.43 0.11 114.58 122.90 1x5c h GLU 52 Ca 0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.55 1x5c h GLU 52 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1x5c h GLU 52 CO -0.07 0.09 -0.46 1.15 0.07 0.00 0.00 179.01 179.80 1x5c h THR 53 N 0.00 1.31 -0.16 -1.06 2.02 -1.40 -3.20 112.91 110.42 1x5c h THR 53 Ca -0.00 -1.65 -0.10 0.00 0.77 0.00 0.00 66.41 65.43 1x5c h THR 53 Cb 0.24 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1x5c h THR 53 CO 0.01 0.52 -0.40 -1.22 0.37 0.00 0.00 175.52 174.79 1x5c n TYR 54 N -4.00 0.52 0.13 3.16 4.02 -0.80 -4.67 117.16 115.51 1x5c n TYR 54 Ca -0.02 -1.60 -0.00 0.00 -0.01 0.00 0.00 57.90 56.27 1x5c n TYR 54 Cb 0.54 -0.33 0.08 0.00 -0.02 0.00 0.00 39.34 39.61 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 1.10 0.00 -0.10 -0.72 2.10 -0.81 -3.24 116.57 114.90 1x5c h LYS 55 Ca 0.09 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.72 1x5c h LYS 55 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1x5c h LYS 55 CO 0.17 0.65 -0.11 -3.47 -2.00 0.00 0.00 179.45 174.70 1x5c n ASP 56 N -3.44 2.58 -3.09 7.07 -0.08 -1.26 -5.03 116.55 113.29 1x5c n ASP 56 Ca 0.00 -3.32 -0.17 0.00 -1.51 0.00 0.00 54.79 49.79 1x5c n ASP 56 Cb 0.72 -0.50 0.14 0.00 2.34 0.00 0.00 41.12 43.83 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1x5c n HIS 57 N -1.14 -3.34 -0.13 -0.67 -0.00 -1.22 -5.03 115.22 103.69 1x5c n HIS 57 Ca 0.20 -0.52 -0.27 0.00 0.46 0.00 0.00 57.72 57.60 1x5c n HIS 57 Cb 0.76 -0.64 -0.09 0.00 -0.12 0.00 0.00 29.99 29.89 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 -3.57 0.54 -0.01 1.57 0.28 -1.26 -4.80 120.64 113.39 1x5c n GLU 58 Ca 0.08 0.23 -0.01 0.00 -0.16 0.00 0.00 57.16 57.30 1x5c n GLU 58 Cb 0.33 -1.40 -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 -4.07 4.08 -4.61 -1.84 0.23 -1.26 -4.96 115.26 102.82 1x5c n ASN 59 Ca -0.49 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.13 1x5c n ASN 59 Cb 0.86 0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 39.29 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 -2.15 4.50 -0.24 1.53 1.01 -1.26 0.52 121.20 125.12 1x5c s ILE 60 Ca -0.02 1.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.94 1x5c s ILE 60 Cb 0.02 -4.40 0.07 0.00 0.01 0.00 0.00 42.46 38.16 1x5c s ILE 60 CO 0.16 -0.61 0.02 -0.69 0.00 0.00 0.00 174.94 173.82 1x5c s VAL 61 N 3.68 1.03 0.34 2.92 1.01 -0.40 -4.25 120.40 124.73 1x5c s VAL 61 Ca 0.41 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1x5c s VAL 61 Cb -0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 1x5c s VAL 61 CO 0.20 -0.28 1.02 -0.63 0.00 0.00 0.00 175.10 175.40 1x5c s ILE 62 N 1.60 3.86 0.01 2.22 -1.09 -1.26 -1.71 121.20 124.83 1x5c s ILE 62 Ca -0.00 1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 59.84 1x5c s ILE 62 Cb -0.18 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1x5c s ILE 62 CO -0.11 0.16 0.35 0.00 -1.23 0.00 0.00 174.94 174.12 1x5c s ALA 63 N -1.50 -0.87 -0.03 9.38 0.00 -0.75 -2.05 121.76 125.94 1x5c s ALA 63 Ca 0.51 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1x5c s ALA 63 Cb -0.23 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1x5c s ALA 63 CO 0.29 -0.34 -0.15 -1.59 0.00 0.00 0.00 175.76 173.97 1x5c s LYS 64 N -1.83 1.41 0.01 0.00 -2.85 0.81 -1.66 119.74 115.62 1x5c s LYS 64 Ca -0.10 -0.53 0.02 0.00 -1.00 0.00 0.00 55.97 54.37 1x5c s LYS 64 Cb -0.03 -1.29 -0.01 0.00 -2.06 0.00 0.00 37.83 34.44 1x5c s LYS 64 CO 0.02 0.26 -0.07 1.41 0.10 0.00 0.00 175.35 177.06 1x5c s MET 65 N -0.10 0.52 -0.60 1.78 1.75 -0.97 -1.18 119.30 120.50 1x5c s MET 65 Ca 0.00 -0.43 -0.20 0.00 -1.25 0.00 0.00 55.69 53.82 1x5c s MET 65 Cb -0.09 -0.44 0.09 0.00 2.84 0.00 0.00 34.83 37.23 1x5c s MET 65 CO 0.01 0.11 0.78 0.34 -0.65 0.00 0.00 175.02 175.60 1x5c s ASP 66 N -0.68 6.18 0.57 1.11 -1.08 -1.26 -2.56 116.67 118.96 1x5c s ASP 66 Ca -0.02 -1.26 0.33 0.00 -0.52 0.00 0.00 52.55 51.08 1x5c s ASP 66 Cb -0.05 -2.34 1.75 0.00 -1.46 0.00 0.00 42.92 40.83 1x5c s ASP 66 CO 0.00 -1.20 2.17 -1.28 0.52 0.00 0.00 175.17 175.39 1x5c h SER 67 N 9.29 0.00 1.39 -0.34 0.87 -1.70 0.81 113.55 123.86 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 1.12 0.05 -0.21 0.71 -0.53 0.00 0.00 176.83 177.97 1x5c h THR 68 N 0.00 0.00 0.00 2.23 1.35 -1.90 -3.31 112.91 111.28 1x5c h THR 68 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1x5c h THR 68 Cb 0.20 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1x5c h THR 68 CO 0.01 0.00 -1.23 0.00 -0.25 0.00 0.00 175.52 174.04 1x5c n ALA 69 N -1.87 2.42 -3.70 6.62 0.00 -0.26 -4.98 120.51 118.74 1x5c n ALA 69 Ca 0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1x5c n ALA 69 Cb 0.46 -0.29 -0.17 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.79 0.78 -0.14 0.00 0.01 0.27 -4.92 114.94 108.16 1x5c s ASN 70 Ca -0.02 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1x5c s ASN 70 Cb 0.05 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1x5c s ASN 70 CO 0.35 -0.12 -0.18 -1.61 -1.51 0.00 0.00 177.10 174.03 1x5c s GLU 71 N 1.25 3.16 -0.01 -0.60 2.02 -1.26 -4.12 118.70 119.15 1x5c s GLU 71 Ca -0.06 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1x5c s GLU 71 Cb -0.13 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 1x5c s GLU 71 CO -0.02 0.05 -0.12 0.14 0.02 0.00 0.00 175.26 175.33 1x5c s VAL 72 N 0.69 0.98 0.20 2.63 -7.23 -1.26 -4.98 120.40 111.42 1x5c s VAL 72 Ca -0.08 -0.56 0.16 0.00 -1.81 0.00 0.00 61.98 59.69 1x5c s VAL 72 Cb -0.16 -0.82 0.09 0.00 0.56 0.00 0.00 36.38 36.05 1x5c s VAL 72 CO 0.01 0.25 1.70 1.05 -0.31 0.00 0.00 175.10 177.80 1x5c h GLU 73 N 5.76 0.00 0.00 4.82 4.11 -2.01 -2.85 114.58 124.41 1x5c h GLU 73 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1x5c h GLU 73 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x5c h GLU 73 CO 0.49 0.44 0.00 0.00 0.07 0.00 0.00 179.01 180.01 1x5c n ALA 74 N -2.33 1.12 -3.65 1.06 0.00 -1.26 -4.44 120.51 111.01 1x5c n ALA 74 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1x5c n ALA 74 Cb 0.54 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.90 -0.57 -0.38 0.00 1.01 -1.08 -5.00 120.40 111.48 1x5c s VAL 75 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1x5c s VAL 75 Cb 0.01 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.44 1x5c s VAL 75 CO 0.03 0.00 0.21 -0.54 0.00 0.00 0.00 175.10 174.80 1x5c s LYS 76 N 2.36 2.73 -0.36 2.72 -0.14 -1.26 -4.41 119.74 121.37 1x5c s LYS 76 Ca -0.08 -1.22 -0.10 0.00 -1.36 0.00 0.00 55.97 53.21 1x5c s LYS 76 Cb -0.09 -3.71 0.02 0.00 -1.68 0.00 0.00 37.83 32.37 1x5c s LYS 76 CO -0.19 -0.78 0.18 0.08 -0.76 0.00 0.00 175.35 173.88 1x5c s VAL 77 N 1.49 4.50 -0.25 3.17 1.01 -1.26 -4.93 120.40 124.13 1x5c s VAL 77 Ca 0.02 -0.79 0.13 0.00 0.00 0.00 0.00 61.98 61.33 1x5c s VAL 77 Cb -0.20 -3.47 0.57 0.00 0.00 0.00 0.00 36.38 33.28 1x5c s VAL 77 CO 0.05 -0.16 1.53 1.41 0.00 0.00 0.00 175.10 177.92 1x5c n HIS 78 N 4.98 1.35 -3.68 5.22 8.25 -1.26 -5.00 115.22 125.07 1x5c n HIS 78 Ca -0.12 -1.18 -0.03 0.00 -0.26 0.00 0.00 57.72 56.12 1x5c n HIS 78 Cb 0.47 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x5c s SER 79 N -1.92 -0.17 -0.04 0.41 0.01 -1.26 -5.19 113.70 105.54 1x5c s SER 79 Ca 0.46 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 1x5c s SER 79 Cb 0.38 0.37 0.08 0.00 0.21 0.00 0.00 66.02 67.07 1x5c s SER 79 CO 0.07 -0.68 0.72 -0.36 0.41 0.00 0.00 173.24 173.40 1x5c s PHE 80 N -3.00 -0.60 0.44 2.43 0.08 -1.26 -4.12 117.98 111.95 1x5c s PHE 80 Ca 0.12 0.96 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 1x5c s PHE 80 Cb 0.00 0.43 -0.08 0.00 -0.57 0.00 0.00 43.02 42.81 1x5c s PHE 80 CO -0.01 -0.60 1.17 -1.25 -0.10 0.00 0.00 175.22 174.43 1x5c s PRO 81 N -1.48 3.83 -0.10 0.24 0.04 -1.26 -4.81 135.00 131.46 1x5c s PRO 81 Ca -0.08 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1x5c s PRO 81 Cb -0.00 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1x5c s PRO 81 CO 0.06 -0.50 -0.13 0.99 0.04 0.00 0.00 177.00 177.46 1x5c s THR 82 N -1.51 1.33 0.01 1.26 2.01 -0.32 -5.02 115.64 113.40 1x5c s THR 82 Ca 0.62 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.12 1x5c s THR 82 Cb -0.29 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1x5c s THR 82 CO 0.36 0.41 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.83 1x5c s LEU 83 N 1.03 2.96 -0.08 4.42 1.43 -1.26 0.10 118.68 127.29 1x5c s LEU 83 Ca -0.07 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1x5c s LEU 83 Cb -0.15 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1x5c s LEU 83 CO -0.01 0.28 0.15 -0.54 0.23 0.00 0.00 176.35 176.46 1x5c s LYS 84 N -1.34 0.05 -0.17 1.70 1.02 -1.01 -3.55 119.74 116.43 1x5c s LYS 84 Ca 0.16 0.48 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 1x5c s LYS 84 Cb -0.11 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 36.91 1x5c s LYS 84 CO 0.06 -0.26 0.46 0.12 -0.92 0.00 0.00 175.35 174.81 1x5c s PHE 85 N 1.89 3.42 -0.43 3.18 2.19 0.03 -1.96 117.98 126.30 1x5c s PHE 85 Ca -0.01 0.75 -0.13 0.00 0.33 0.00 0.00 56.93 57.87 1x5c s PHE 85 Cb -0.12 -2.57 0.06 0.00 -1.31 0.00 0.00 43.02 39.08 1x5c s PHE 85 CO -0.06 0.04 0.31 -0.06 1.83 0.00 0.00 175.22 177.28 1x5c s PHE 86 N 1.13 3.27 0.58 10.12 0.08 -0.23 -0.55 117.98 132.39 1x5c s PHE 86 Ca 0.23 -1.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 1x5c s PHE 86 Cb -0.15 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1x5c s PHE 86 CO 0.09 -0.77 1.12 -1.25 -0.10 0.00 0.00 175.22 174.31 1x5c s PRO 87 N 1.56 3.17 -0.66 0.24 0.04 -1.26 -2.22 135.00 135.87 1x5c s PRO 87 Ca 0.03 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 1x5c s PRO 87 Cb -0.23 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.08 1x5c s PRO 87 CO 0.06 -0.98 1.87 0.00 0.04 0.00 0.00 177.00 177.98 1x5c n ALA 88 N -1.69 1.22 -3.22 8.56 0.00 -1.25 -4.82 120.51 119.30 1x5c n ALA 88 Ca 0.11 -2.71 -0.22 0.00 0.00 0.00 0.00 53.44 50.62 1x5c n ALA 88 Cb 0.51 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.24 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 7.05 1.41 0.58 0.00 0.15 -1.26 -4.18 113.70 117.45 1x5c s SER 89 Ca 0.71 -0.22 0.29 0.00 0.70 0.00 0.00 55.95 57.42 1x5c s SER 89 Cb 0.06 -0.50 1.49 0.00 -1.71 0.00 0.00 66.02 65.37 1x5c s SER 89 CO 0.23 0.05 1.93 0.00 1.20 0.00 0.00 173.24 176.64 1x5c h ALA 90 N 6.64 2.18 -1.91 5.45 0.00 -1.91 -3.42 119.26 126.30 1x5c h ALA 90 Ca -0.33 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.11 1x5c h ALA 90 Cb 1.17 0.03 0.14 0.00 0.00 0.00 0.00 17.79 19.14 1x5c h ALA 90 CO 0.48 -0.68 0.35 -0.51 0.00 0.00 0.00 179.25 178.89 1x5c s ASP 91 N -5.36 3.50 -0.37 0.00 1.01 -1.26 -4.95 116.67 109.24 1x5c s ASP 91 Ca -0.04 0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.37 1x5c s ASP 91 Cb 0.16 -0.31 0.31 0.00 1.01 0.00 0.00 42.92 44.09 1x5c s ASP 91 CO 0.57 -2.47 1.90 0.54 0.21 0.00 0.00 175.17 175.92 1x5c n ARG 92 N -3.52 1.95 -1.79 8.23 5.12 -1.26 -4.96 116.66 120.44 1x5c n ARG 92 Ca 0.15 -1.95 -0.40 0.00 -1.93 0.00 0.00 57.85 53.72 1x5c n ARG 92 Cb 0.60 -1.76 0.01 0.00 -1.16 0.00 0.00 32.46 30.15 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1x5c s THR 93 N -2.68 2.05 0.01 0.55 2.01 -1.26 -5.02 115.64 111.29 1x5c s THR 93 Ca 0.38 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.44 1x5c s THR 93 Cb 0.30 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 1x5c s THR 93 CO 0.01 0.01 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1x5c s VAL 94 N -1.18 0.44 -0.00 3.82 1.01 -1.26 -4.32 120.40 118.89 1x5c s VAL 94 Ca 0.60 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1x5c s VAL 94 Cb -0.44 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1x5c s VAL 94 CO 0.58 -0.09 -0.26 -0.63 0.00 0.00 0.00 175.10 174.71 1x5c s ILE 95 N -0.62 2.03 -0.08 2.22 1.01 0.29 -4.97 121.20 121.08 1x5c s ILE 95 Ca -0.03 -1.16 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 1x5c s ILE 95 Cb -0.05 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1x5c s ILE 95 CO 0.00 0.51 0.72 1.51 0.00 0.00 0.00 174.94 177.68 1x5c s ASP 96 N -0.76 6.98 -0.50 3.58 1.47 -1.26 -0.79 116.67 125.39 1x5c s ASP 96 Ca 0.10 1.19 -0.26 0.00 1.18 0.00 0.00 52.55 54.76 1x5c s ASP 96 Cb -0.10 -2.42 0.03 0.00 -0.34 0.00 0.00 42.92 40.10 1x5c s ASP 96 CO -0.00 -0.16 0.98 -0.47 0.68 0.00 0.00 175.17 176.20 1x5c s TYR 97 N 1.00 2.83 -0.59 2.11 5.04 -1.23 -4.92 117.35 121.60 1x5c s TYR 97 Ca 0.38 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 55.32 1x5c s TYR 97 Cb -0.18 -4.11 0.39 0.00 0.35 0.00 0.00 41.96 38.42 1x5c s TYR 97 CO 0.18 -1.25 1.44 0.09 -1.34 0.00 0.00 175.55 174.67 1x5c n ASN 98 N 7.47 5.74 -0.07 4.32 3.02 -1.26 -4.89 115.26 129.60 1x5c n ASN 98 Ca 0.06 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1x5c n ASN 98 Cb 0.48 -0.68 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 -0.50 1.80 0.44 7.41 0.00 -1.26 -5.01 105.19 108.07 1x5c n GLY 99 Ca 0.44 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 1.46 -3.57 1.61 0.00 -1.26 -4.98 120.64 113.89 1x5c n GLU 100 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 57.16 56.01 1x5c n GLU 100 Cb 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 31.44 30.14 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 -0.04 -7.71 -4.57 3.44 0.63 -1.26 -5.00 116.66 102.14 1x5c n ARG 101 Ca 0.08 0.83 -0.24 0.00 -0.92 0.00 0.00 57.85 57.60 1x5c n ARG 101 Cb 0.41 -5.88 -0.14 0.00 0.45 0.00 0.00 32.46 27.30 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 -3.33 1.50 0.22 5.15 -4.23 -1.26 -5.00 115.64 108.69 1x5c s THR 102 Ca 0.48 -1.12 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1x5c s THR 102 Cb -0.21 -1.31 0.27 0.00 1.34 0.00 0.00 72.50 72.59 1x5c s THR 102 CO 0.73 0.16 1.41 -0.11 -0.54 0.00 0.00 174.62 176.27 1x5c n LEU 103 N 1.91 -0.52 -0.01 4.79 7.94 -1.26 0.13 117.00 129.98 1x5c n LEU 103 Ca -0.17 1.58 -0.08 0.00 -1.11 0.00 0.00 56.01 56.23 1x5c n LEU 103 Cb 0.54 -0.39 0.10 0.00 0.53 0.00 0.00 43.42 44.19 1x5c n LEU 103 CO 0.23 -1.44 0.59 -0.78 -1.11 0.00 0.00 177.39 174.88 1x5c h ASP 104 N 0.00 0.61 -0.90 1.96 3.58 -1.96 -3.11 116.42 116.60 1x5c h ASP 104 Ca 0.35 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1x5c h ASP 104 Cb 0.57 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 1x5c h ASP 104 CO -0.91 0.95 0.50 1.23 -2.88 0.00 0.00 179.24 178.14 1x5c h GLY 105 N 1.04 1.34 0.88 -0.78 0.00 0.74 -2.82 103.07 103.47 1x5c h GLY 105 Ca 0.04 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.79 1x5c h GLY 105 CO 0.08 0.57 0.18 0.74 0.00 0.00 0.00 176.54 178.12 1x5c h PHE 106 N 1.26 0.34 -0.92 5.60 0.04 -0.39 -2.01 116.94 120.85 1x5c h PHE 106 Ca 0.32 0.01 0.15 0.00 2.80 0.00 0.00 57.97 61.26 1x5c h PHE 106 Cb 0.01 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.98 1x5c h PHE 106 CO 0.01 0.19 0.59 0.87 -0.60 0.00 0.00 178.31 179.37 1x5c h LYS 107 N 0.37 0.68 -0.19 1.51 1.57 -1.51 0.58 116.57 119.58 1x5c h LYS 107 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1x5c h LYS 107 Cb 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1x5c h LYS 107 CO -0.08 0.45 0.06 0.87 -0.57 0.00 0.00 179.45 180.18 1x5c h LYS 108 N 0.70 0.30 -0.53 3.15 1.57 -1.25 0.44 116.57 120.95 1x5c h LYS 108 Ca 0.47 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.14 1x5c h LYS 108 Cb 0.78 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1x5c h LYS 108 CO -0.23 0.40 0.12 0.35 -0.57 0.00 0.00 179.45 179.51 1x5c h PHE 109 N 0.15 0.90 0.30 -1.35 3.04 -0.91 -2.73 116.94 116.33 1x5c h PHE 109 Ca 0.06 -0.11 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1x5c h PHE 109 Cb 0.22 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1x5c h PHE 109 CO -0.00 0.79 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.87 1x5c h LEU 110 N 0.74 -0.34 -1.32 0.59 3.38 -0.83 -2.20 115.31 115.33 1x5c h LEU 110 Ca 0.16 0.01 0.45 0.00 0.09 0.00 0.00 57.88 58.60 1x5c h LEU 110 Cb 0.35 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.06 1x5c h LEU 110 CO 0.00 -0.09 0.85 -0.62 0.09 0.00 0.00 178.44 178.67 1x5c n GLU 111 N -3.94 -0.03 -0.09 1.13 1.02 0.15 0.22 120.64 119.09 1x5c n GLU 111 Ca -0.05 1.18 -0.14 0.00 -0.02 0.00 0.00 57.16 58.13 1x5c n GLU 111 Cb 0.16 -2.34 -0.04 0.00 -0.02 0.00 0.00 31.44 29.20 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 0.86 0.00 1.62 0.02 -1.48 -3.48 113.55 111.08 1x5c h SER 112 Ca 0.83 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1x5c h SER 112 Cb 2.71 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 65.01 1x5c h SER 112 CO -0.43 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 1x5c n GLY 113 N 0.23 1.48 3.07 -3.77 0.00 0.59 -4.70 105.19 102.10 1x5c n GLY 113 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.21 -0.24 3.23 -0.02 0.00 -0.85 -4.97 105.19 102.12 1x5c n GLY 114 Ca 0.00 0.02 -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 -5.25 2.96 0.03 1.61 -1.52 -1.26 -5.06 119.66 111.18 1x5c s GLN 115 Ca 0.05 -2.25 0.04 0.00 -1.95 0.00 0.00 55.36 51.25 1x5c s GLN 115 Cb -0.02 -4.08 -0.04 0.00 -0.22 0.00 0.00 33.01 28.65 1x5c s GLN 115 CO 0.62 -1.24 -0.06 0.45 -0.25 0.00 0.00 175.29 174.81 1x5c s SER 116 N 1.96 4.64 0.47 5.90 0.15 -1.26 -5.09 113.70 120.47 1x5c s SER 116 Ca 0.13 -0.18 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1x5c s SER 116 Cb -0.19 -1.06 -0.09 0.00 -1.71 0.00 0.00 66.02 62.97 1x5c s SER 116 CO -0.04 0.25 0.98 -0.83 1.20 0.00 0.00 173.24 174.81 1x5c s GLY 117 N -1.64 2.34 -0.60 9.45 0.00 -1.26 -4.96 107.32 110.65 1x5c s GLY 117 Ca 0.19 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.05 1x5c s GLY 117 CO 0.10 0.70 1.85 2.56 0.00 0.00 0.00 173.10 178.31 1x5c s PRO 118 N -3.41 2.66 0.36 2.90 0.04 -1.26 -4.98 135.00 131.31 1x5c s PRO 118 Ca 0.63 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1x5c s PRO 118 Cb -0.11 -4.38 -0.06 0.00 0.04 0.00 0.00 34.50 29.99 1x5c s PRO 118 CO 0.19 -2.70 0.69 0.45 0.04 0.00 0.00 177.00 175.67 1x5c s SER 119 N 8.00 6.51 0.46 6.66 0.15 -1.26 -5.06 113.70 129.17 1x5c s SER 119 Ca 0.67 0.99 -0.22 0.00 0.70 0.00 0.00 55.95 58.09 1x5c s SER 119 Cb -0.13 -2.26 -0.08 0.00 -1.71 0.00 0.00 66.02 61.84 1x5c s SER 119 CO 0.21 -0.31 1.11 -0.44 1.20 0.00 0.00 173.24 175.01 1x5c s SER 120 N -3.09 6.26 0.00 5.45 0.01 -1.26 -5.30 113.70 115.78 1x5c s SER 120 Ca 0.49 2.14 0.04 0.00 1.31 0.00 0.00 55.95 59.93 1x5c s SER 120 Cb -0.10 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.57 1x5c s SER 120 CO 0.30 -0.84 0.63 0.61 0.41 0.00 0.00 173.24 174.35