#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0c n ASN 2 N 0.00 2.05 -3.86 4.52 6.94 -1.25 -1.78 115.26 121.88 3a0c n ASN 2 Ca 0.00 -3.58 -0.11 0.00 -0.02 0.00 0.00 54.58 50.87 3a0c n ASN 2 Cb 0.00 -0.47 -0.09 0.00 -2.36 0.00 0.00 39.78 36.85 3a0c n ASN 2 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3a0c s SER 3 N -3.13 0.01 -0.13 0.53 1.04 -1.26 -1.46 113.70 109.30 3a0c s SER 3 Ca 0.39 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 3a0c s SER 3 Cb 0.38 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.77 3a0c s SER 3 CO -0.07 -0.42 0.03 -0.22 0.98 0.00 0.00 173.24 173.55 3a0c s LEU 4 N -1.54 0.74 0.07 2.42 2.96 -0.04 -4.96 118.68 118.33 3a0c s LEU 4 Ca -0.13 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3a0c s LEU 4 Cb -0.06 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 3a0c s LEU 4 CO 0.01 -0.27 0.07 -0.94 -1.32 0.00 0.00 176.35 173.90 3a0c s SER 5 N 1.97 5.49 0.20 3.68 1.04 -1.26 0.16 113.70 124.98 3a0c s SER 5 Ca 0.02 -0.01 -0.32 0.00 0.48 0.00 0.00 55.95 56.12 3a0c s SER 5 Cb -0.15 -1.47 -0.15 0.00 0.10 0.00 0.00 66.02 64.35 3a0c s SER 5 CO -0.07 0.18 1.30 -1.20 0.98 0.00 0.00 173.24 174.44 3a0c n SER 6 N 0.56 2.06 -2.16 7.02 7.64 0.04 -0.03 113.62 128.74 3a0c n SER 6 Ca -0.09 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.63 3a0c n SER 6 Cb 0.52 -1.32 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 3a0c n SER 6 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3a0c n PRO 7 N 2.00 2.98 -0.78 1.43 -0.04 -1.26 -4.79 135.00 134.55 3a0c n PRO 7 Ca 0.14 -3.60 -0.28 0.00 -0.04 0.00 0.00 63.50 59.71 3a0c n PRO 7 Cb 0.27 -2.26 0.22 0.00 -0.04 0.00 0.00 33.50 31.70 3a0c n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3a0c s ASN 8 N -2.51 1.59 0.04 3.54 -0.87 0.95 -4.62 114.94 113.06 3a0c s ASN 8 Ca 0.59 1.40 -0.01 0.00 -1.57 0.00 0.00 52.86 53.27 3a0c s ASN 8 Cb 0.47 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.25 39.52 3a0c s ASN 8 CO 0.01 -3.81 -0.03 -0.55 -2.57 0.00 0.00 177.10 170.16 3a0c s SER 9 N -2.87 0.40 -0.47 -1.22 0.15 -1.26 -2.46 113.70 105.96 3a0c s SER 9 Ca 0.67 -0.82 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 3a0c s SER 9 Cb -0.23 0.16 0.12 0.00 -1.71 0.00 0.00 66.02 64.37 3a0c s SER 9 CO 0.62 -0.49 0.30 -0.76 1.20 0.00 0.00 173.24 174.11 3a0c s LEU 10 N -2.39 5.45 1.08 3.45 1.43 0.36 -4.92 118.68 123.14 3a0c s LEU 10 Ca -0.01 -2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 50.81 3a0c s LEU 10 Cb 0.01 -1.91 0.23 0.00 0.03 0.00 0.00 46.19 44.56 3a0c s LEU 10 CO -0.07 -0.58 1.14 -0.36 0.23 0.00 0.00 176.35 176.72 3a0c s PHE 11 N 1.03 1.33 0.08 0.29 0.40 -1.26 -1.00 117.98 118.84 3a0c s PHE 11 Ca 0.09 0.63 -0.36 0.00 -0.60 0.00 0.00 56.93 56.69 3a0c s PHE 11 Cb -0.23 -3.50 -0.15 0.00 0.51 0.00 0.00 43.02 39.64 3a0c s PHE 11 CO -0.03 -3.25 1.49 2.41 0.70 0.00 0.00 175.22 176.54 3a0c n THR 12 N -4.33 0.06 0.00 0.64 -1.04 -0.83 -1.00 114.28 107.78 3a0c n THR 12 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3a0c n THR 12 Cb 0.59 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 3a0c n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a0c n GLY 13 N 3.10 2.55 3.84 3.41 0.00 0.33 -4.96 105.19 113.47 3a0c n GLY 13 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3a0c n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a0c s HIS 14 N -2.17 3.42 0.19 1.61 4.02 -0.17 -4.78 115.29 117.41 3a0c s HIS 14 Ca 0.00 1.42 -0.19 0.00 1.02 0.00 0.00 55.06 57.31 3a0c s HIS 14 Cb 0.00 -2.81 0.04 0.00 -1.02 0.00 0.00 32.58 28.79 3a0c s HIS 14 CO 0.00 -0.60 0.57 -1.54 1.02 0.00 0.00 174.74 174.18 3a0c s SER 15 N -3.36 -0.35 0.13 1.40 1.04 -1.26 -0.89 113.70 110.41 3a0c s SER 15 Ca 0.58 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.72 3a0c s SER 15 Cb -0.11 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3a0c s SER 15 CO 0.39 -1.06 -0.01 -0.76 0.98 0.00 0.00 173.24 172.78 3a0c s LEU 16 N -2.84 3.35 -0.08 2.42 1.43 0.12 -4.92 118.68 118.16 3a0c s LEU 16 Ca 0.07 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3a0c s LEU 16 Cb -0.02 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3a0c s LEU 16 CO -0.05 0.14 0.22 -1.61 0.23 0.00 0.00 176.35 175.28 3a0c s GLU 17 N -2.56 0.27 0.02 1.70 2.02 -0.73 -0.46 118.70 118.95 3a0c s GLU 17 Ca 0.26 0.30 -0.15 0.00 0.02 0.00 0.00 54.97 55.40 3a0c s GLU 17 Cb -0.11 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.28 3a0c s GLU 17 CO 0.18 -0.03 0.31 0.54 0.02 0.00 0.00 175.26 176.28 3a0c s VAL 18 N 0.08 0.07 0.80 2.63 0.11 -0.77 -3.96 120.40 119.36 3a0c s VAL 18 Ca -0.00 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.37 3a0c s VAL 18 Cb -0.02 -0.79 0.07 0.00 -1.53 0.00 0.00 36.38 34.12 3a0c s VAL 18 CO 0.00 -0.31 1.10 -0.83 -3.33 0.00 0.00 175.10 171.73 3a0c s GLY 19 N -1.71 1.67 0.09 6.54 0.00 -1.26 -1.68 107.32 110.97 3a0c s GLY 19 Ca -0.09 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 3a0c s GLY 19 CO 0.00 0.63 1.31 -0.56 0.00 0.00 0.00 173.10 174.49 3a0c h PRO 20 N -1.26 0.73 -0.31 2.90 0.13 -1.94 -3.39 132.00 128.86 3a0c h PRO 20 Ca -0.44 -0.54 -0.26 0.00 -0.87 0.00 0.00 66.00 63.88 3a0c h PRO 20 Cb 1.24 0.10 -0.23 0.00 0.13 0.00 0.00 31.00 32.24 3a0c h PRO 20 CO 0.51 1.16 -0.61 -1.13 -0.23 0.00 0.00 178.00 177.70 3a0c n SER 21 N -4.07 -0.90 -4.66 1.44 3.41 -1.25 -5.07 113.62 102.52 3a0c n SER 21 Ca -0.07 -2.55 -0.35 0.00 -0.26 0.00 0.00 58.87 55.65 3a0c n SER 21 Cb 0.65 0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 65.07 3a0c n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3a0c s TYR 22 N -0.80 3.15 -0.10 7.33 4.12 -0.68 -1.35 117.35 129.02 3a0c s TYR 22 Ca 0.24 0.13 -0.04 0.00 0.02 0.00 0.00 57.07 57.42 3a0c s TYR 22 Cb 0.42 -1.83 0.05 0.00 -1.52 0.00 0.00 41.96 39.08 3a0c s TYR 22 CO -0.05 0.39 0.18 1.03 0.02 0.00 0.00 175.55 177.12 3a0c s ARG 23 N -0.65 0.06 -0.42 -0.62 0.52 -0.81 -1.85 118.95 115.18 3a0c s ARG 23 Ca 0.11 0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 55.74 3a0c s ARG 23 Cb -0.12 -0.33 0.05 0.00 0.52 0.00 0.00 34.95 35.07 3a0c s ARG 23 CO 0.02 -0.33 0.30 -1.17 0.02 0.00 0.00 175.30 174.14 3a0c s LEU 24 N 2.31 5.17 0.02 2.53 2.96 0.39 -0.72 118.68 131.34 3a0c s LEU 24 Ca 0.03 -1.13 0.07 0.00 -0.22 0.00 0.00 54.13 52.88 3a0c s LEU 24 Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3a0c s LEU 24 CO -0.07 -0.50 -0.21 -0.51 -1.32 0.00 0.00 176.35 173.75 3a0c s ILE 25 N 1.60 2.58 -0.77 6.68 2.07 -0.76 -0.70 121.20 131.90 3a0c s ILE 25 Ca 0.04 -1.15 -0.16 0.00 -1.41 0.00 0.00 60.65 57.98 3a0c s ILE 25 Cb -0.21 -2.03 0.18 0.00 0.13 0.00 0.00 42.46 40.53 3a0c s ILE 25 CO 0.07 0.42 0.78 -0.32 -1.91 0.00 0.00 174.94 173.98 3a0c s MET 26 N -1.15 3.45 0.95 3.50 -2.45 -0.07 -2.40 119.30 121.13 3a0c s MET 26 Ca 0.13 -2.11 -0.12 0.00 -1.25 0.00 0.00 55.69 52.34 3a0c s MET 26 Cb -0.10 -4.47 0.16 0.00 1.25 0.00 0.00 34.83 31.67 3a0c s MET 26 CO 0.03 -1.40 1.09 -0.65 1.05 0.00 0.00 175.02 175.14 3a0c s GLN 27 N 1.05 0.82 0.38 4.11 -0.21 -1.09 0.12 119.66 124.85 3a0c s GLN 27 Ca 0.17 0.78 0.28 0.00 0.02 0.00 0.00 55.36 56.61 3a0c s GLN 27 Cb -0.14 -1.76 1.05 0.00 1.00 0.00 0.00 33.01 33.16 3a0c s GLN 27 CO -0.06 -2.53 1.81 0.78 -2.12 0.00 0.00 175.29 173.18 3a0c h GLY 28 N -1.76 0.00 -1.28 3.09 0.00 -1.93 -2.75 103.07 98.45 3a0c h GLY 28 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3a0c h GLY 28 CO 0.54 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.17 3a0c n ASP 29 N -2.63 2.00 0.00 0.19 5.75 -1.26 -4.41 116.55 116.19 3a0c n ASP 29 Ca 0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3a0c n ASP 29 Cb 0.31 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3a0c n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a0c s ASN 31 N -2.21 6.66 -0.48 0.00 2.47 -1.26 -4.39 114.94 115.73 3a0c s ASN 31 Ca 0.00 0.81 -0.18 0.00 0.42 0.00 0.00 52.86 53.90 3a0c s ASN 31 Cb 0.00 -2.35 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 3a0c s ASN 31 CO 0.00 -0.32 0.57 0.12 -3.72 0.00 0.00 177.10 173.75 3a0c s PHE 32 N 2.18 3.09 0.06 0.43 5.36 -1.26 -2.66 117.98 125.17 3a0c s PHE 32 Ca 0.28 -0.52 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 3a0c s PHE 32 Cb -0.16 -3.38 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 3a0c s PHE 32 CO 0.10 -0.94 -0.16 0.54 -1.46 0.00 0.00 175.22 173.29 3a0c s VAL 33 N 2.44 1.30 -0.29 3.12 0.11 -1.01 0.31 120.40 126.39 3a0c s VAL 33 Ca 0.14 -1.18 -0.11 0.00 -2.93 0.00 0.00 61.98 57.89 3a0c s VAL 33 Cb -0.19 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 3a0c s VAL 33 CO 0.12 -0.02 0.19 -0.22 -3.33 0.00 0.00 175.10 171.84 3a0c s LEU 34 N -1.39 4.08 -0.10 2.54 2.96 0.14 -1.82 118.68 125.09 3a0c s LEU 34 Ca 0.03 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3a0c s LEU 34 Cb -0.09 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3a0c s LEU 34 CO 0.02 -0.09 0.10 -0.31 -1.32 0.00 0.00 176.35 174.75 3a0c s TYR 35 N 1.74 3.46 -0.36 5.38 2.02 0.10 -0.96 117.35 128.73 3a0c s TYR 35 Ca 0.07 0.41 0.02 0.00 -0.37 0.00 0.00 57.07 57.20 3a0c s TYR 35 Cb -0.16 -1.88 0.11 0.00 -0.40 0.00 0.00 41.96 39.62 3a0c s TYR 35 CO 0.10 0.65 0.11 0.34 -1.57 0.00 0.00 175.55 175.18 3a0c s ASP 36 N -1.04 4.32 -1.62 2.29 -1.08 0.14 -1.92 116.67 117.77 3a0c s ASP 36 Ca 0.15 -2.10 -0.02 0.00 -0.52 0.00 0.00 52.55 50.06 3a0c s ASP 36 Cb -0.12 -1.28 0.01 0.00 -1.46 0.00 0.00 42.92 40.07 3a0c s ASP 36 CO 0.04 -0.37 0.28 -1.20 0.52 0.00 0.00 175.17 174.45 3a0c n SER 37 N 4.28 -5.79 0.00 -0.34 7.64 -0.46 -1.47 113.62 117.48 3a0c n SER 37 Ca 0.02 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3a0c n SER 37 Cb 0.40 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 3a0c n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0c n GLY 38 N -1.23 0.52 3.56 0.23 0.00 -1.26 -5.05 105.19 101.96 3a0c n GLY 38 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3a0c n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a0c s LYS 39 N -0.84 3.86 -0.36 1.61 2.20 -0.55 -5.05 119.74 120.61 3a0c s LYS 39 Ca 0.00 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 3a0c s LYS 39 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3a0c s LYS 39 CO 0.00 -0.05 1.45 -1.25 -0.36 0.00 0.00 175.35 175.14 3a0c s PRO 40 N 1.31 3.65 0.01 4.03 0.04 -1.26 0.28 135.00 143.05 3a0c s PRO 40 Ca 0.06 1.14 0.22 0.00 0.04 0.00 0.00 61.00 62.46 3a0c s PRO 40 Cb -0.15 -4.01 -0.19 0.00 0.04 0.00 0.00 34.50 30.19 3a0c s PRO 40 CO 0.05 -1.47 0.78 1.33 0.04 0.00 0.00 177.00 177.73 3a0c n VAL 41 N 6.85 0.06 -3.52 -0.36 0.24 -0.14 -4.97 118.33 116.49 3a0c n VAL 41 Ca 0.17 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 3a0c n VAL 41 Cb 0.47 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.18 3a0c n VAL 41 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3a0c s TRP 42 N -3.25 -0.58 -0.07 6.34 -0.00 -1.16 -4.99 118.94 115.23 3a0c s TRP 42 Ca 0.01 0.85 -0.29 0.00 -0.00 0.00 0.00 56.10 56.66 3a0c s TRP 42 Cb 0.15 0.41 0.10 0.00 -0.00 0.00 0.00 33.47 34.13 3a0c s TRP 42 CO 0.86 -0.65 0.85 0.00 -0.00 0.00 0.00 176.95 178.02 3a0c s ALA 43 N -1.84 -1.84 -1.12 5.86 0.00 -1.26 0.27 121.76 121.83 3a0c s ALA 43 Ca -0.08 1.29 0.25 0.00 0.00 0.00 0.00 51.96 53.43 3a0c s ALA 43 Cb -0.01 -0.13 1.15 0.00 0.00 0.00 0.00 23.12 24.13 3a0c s ALA 43 CO 0.04 -0.45 1.83 -1.13 0.00 0.00 0.00 175.76 176.05 3a0c n SER 44 N 0.46 0.00 -2.31 0.00 3.41 0.15 -4.90 113.62 110.43 3a0c n SER 44 Ca -0.13 0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.61 3a0c n SER 44 Cb 0.59 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3a0c n SER 44 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3a0c n ASN 45 N -1.44 -5.83 -1.41 4.04 3.02 -1.26 -4.87 115.26 107.51 3a0c n ASN 45 Ca 0.08 0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.76 3a0c n ASN 45 Cb 0.27 -4.88 0.33 0.00 -0.61 0.00 0.00 39.78 34.89 3a0c n ASN 45 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3a0c n THR 46 N -3.81 2.21 -1.68 3.41 -2.24 -1.26 -5.00 114.28 105.91 3a0c n THR 46 Ca -0.24 -1.45 -0.45 0.00 -2.27 0.00 0.00 64.05 59.64 3a0c n THR 46 Cb 0.69 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 3a0c n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a0c n GLY 47 N 0.44 1.48 1.80 3.38 0.00 -1.26 -1.43 105.19 109.60 3a0c n GLY 47 Ca 0.24 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.01 3a0c n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0c n GLY 48 N 4.09 0.79 0.07 -0.02 0.00 0.40 -4.93 105.19 105.59 3a0c n GLY 48 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3a0c n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0c n LEU 49 N 0.00 0.52 -3.84 0.99 4.77 -0.51 -4.98 117.00 113.94 3a0c n LEU 49 Ca 0.00 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 3a0c n LEU 49 Cb 0.00 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3a0c n LEU 49 CO 0.00 0.11 0.74 -0.83 -1.33 0.00 0.00 177.39 176.08 3a0c s GLY 50 N -2.80 0.07 0.07 -0.72 0.00 -1.26 -5.03 107.32 97.65 3a0c s GLY 50 Ca 0.18 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.67 3a0c s GLY 50 CO 0.59 1.38 -0.19 -0.56 0.00 0.00 0.00 173.10 174.32 3a0c s SER 51 N -3.24 2.23 -1.46 1.64 0.01 -1.26 -4.28 113.70 107.34 3a0c s SER 51 Ca 0.18 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.75 3a0c s SER 51 Cb -0.03 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.12 3a0c s SER 51 CO 0.06 0.07 1.01 0.61 0.41 0.00 0.00 173.24 175.40 3a0c n GLY 52 N 1.50 -0.49 3.79 3.44 0.00 -1.26 0.76 105.19 112.94 3a0c n GLY 52 Ca -0.19 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3a0c n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0c s ARG 54 N -4.60 0.44 -0.33 0.00 1.70 -0.88 -1.96 118.95 113.32 3a0c s ARG 54 Ca 0.62 -0.46 -0.08 0.00 -0.47 0.00 0.00 55.73 55.34 3a0c s ARG 54 Cb -0.17 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.41 3a0c s ARG 54 CO 0.49 -0.10 0.12 -1.17 -1.08 0.00 0.00 175.30 173.56 3a0c s LEU 55 N -1.40 4.21 -0.12 -1.89 2.96 -0.17 -2.04 118.68 120.22 3a0c s LEU 55 Ca -0.15 -0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 52.85 3a0c s LEU 55 Cb -0.08 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3a0c s LEU 55 CO 0.01 -0.28 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.84 3a0c s THR 56 N 1.49 3.98 -0.38 3.68 2.01 0.42 -0.49 115.64 126.35 3a0c s THR 56 Ca 0.01 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 3a0c s THR 56 Cb -0.18 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.68 3a0c s THR 56 CO 0.04 0.54 0.20 -0.22 -0.69 0.00 0.00 174.62 174.49 3a0c s LEU 57 N -0.13 4.81 0.77 4.42 2.96 -1.03 -0.42 118.68 130.06 3a0c s LEU 57 Ca 0.03 -1.29 -0.11 0.00 -0.22 0.00 0.00 54.13 52.54 3a0c s LEU 57 Cb -0.13 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.65 3a0c s LEU 57 CO 0.02 -0.44 1.08 -1.00 -1.32 0.00 0.00 176.35 174.70 3a0c s HIS 58 N 1.44 2.87 -1.57 5.38 3.76 -0.24 -3.99 115.29 122.95 3a0c s HIS 58 Ca 0.01 1.29 0.11 0.00 -0.15 0.00 0.00 55.06 56.33 3a0c s HIS 58 Cb -0.21 -3.03 0.60 0.00 1.11 0.00 0.00 32.58 31.05 3a0c s HIS 58 CO 0.03 -1.63 1.23 0.09 -0.85 0.00 0.00 174.74 173.62 3a0c n ASN 59 N -3.37 0.00 -1.00 1.40 3.02 -1.26 -1.94 115.26 112.11 3a0c n ASN 59 Ca 0.07 0.01 0.10 0.00 -0.03 0.00 0.00 54.58 54.73 3a0c n ASN 59 Cb 0.55 -0.22 0.18 0.00 -0.61 0.00 0.00 39.78 39.68 3a0c n ASN 59 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3a0c n ASN 60 N -1.22 3.20 0.00 6.41 6.94 -1.26 -0.22 115.26 129.10 3a0c n ASN 60 Ca 0.06 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 3a0c n ASN 60 Cb 0.08 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 3a0c n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a0c n GLY 61 N 1.27 0.63 3.68 4.83 0.00 -0.82 0.12 105.19 114.91 3a0c n GLY 61 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3a0c n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a0c s ASN 62 N -2.82 6.92 -0.32 1.61 2.47 -1.24 -4.42 114.94 117.14 3a0c s ASN 62 Ca 0.00 1.12 -0.12 0.00 0.42 0.00 0.00 52.86 54.28 3a0c s ASN 62 Cb 0.00 -2.42 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 3a0c s ASN 62 CO 0.00 -0.27 0.21 -0.22 -3.72 0.00 0.00 177.10 173.10 3a0c s LEU 63 N 1.61 4.32 0.05 3.21 2.96 -1.26 -1.08 118.68 128.50 3a0c s LEU 63 Ca 0.36 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 3a0c s LEU 63 Cb -0.17 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3a0c s LEU 63 CO 0.14 -0.18 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.09 3a0c s VAL 64 N 1.71 1.69 -0.23 1.68 1.01 0.44 -1.41 120.40 125.29 3a0c s VAL 64 Ca 0.06 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3a0c s VAL 64 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3a0c s VAL 64 CO 0.10 0.16 0.01 -0.63 0.00 0.00 0.00 175.10 174.73 3a0c s ILE 65 N -0.87 3.77 -0.01 2.22 1.01 0.16 -0.44 121.20 127.05 3a0c s ILE 65 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3a0c s ILE 65 Cb -0.09 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3a0c s ILE 65 CO 0.02 0.38 -0.11 -0.31 0.00 0.00 0.00 174.94 174.93 3a0c s TYR 66 N 1.54 2.78 0.05 3.97 2.02 -0.87 -0.72 117.35 126.12 3a0c s TYR 66 Ca 0.06 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3a0c s TYR 66 Cb -0.15 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3a0c s TYR 66 CO -0.00 0.30 0.06 -0.40 -1.57 0.00 0.00 175.55 173.94 3a0c n ASP 67 N 1.77 0.02 0.18 2.29 5.68 -0.82 -2.07 116.55 123.61 3a0c n ASP 67 Ca -0.16 -1.03 0.14 0.00 -0.50 0.00 0.00 54.79 53.23 3a0c n ASP 67 Cb 0.52 -0.05 0.54 0.00 -1.14 0.00 0.00 41.12 40.99 3a0c n ASP 67 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3a0c h GLN 68 N 0.00 0.00 -0.53 0.11 4.15 0.29 -2.55 115.11 116.59 3a0c h GLN 68 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3a0c h GLN 68 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3a0c h GLN 68 CO 0.02 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.35 3a0c n SER 69 N -2.57 5.32 -2.27 -0.69 7.64 -1.26 -4.95 113.62 114.85 3a0c n SER 69 Ca 0.02 -2.90 -0.19 0.00 1.01 0.00 0.00 58.87 56.80 3a0c n SER 69 Cb 0.29 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3a0c n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3a0c n ASN 70 N 0.46 -5.54 -4.77 6.43 3.02 -0.96 -5.00 115.26 108.90 3a0c n ASN 70 Ca 0.26 -0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 3a0c n ASN 70 Cb 1.12 -4.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.68 3a0c n ASN 70 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3a0c s ARG 71 N -5.06 4.26 -0.65 3.52 0.52 -1.26 -4.80 118.95 115.49 3a0c s ARG 71 Ca 0.04 0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 55.65 3a0c s ARG 71 Cb -0.02 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 3a0c s ARG 71 CO 0.05 0.41 1.71 0.08 0.02 0.00 0.00 175.30 177.58 3a0c s VAL 72 N -0.29 3.45 0.04 3.52 1.01 -1.26 -1.94 120.40 124.93 3a0c s VAL 72 Ca 0.29 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.58 3a0c s VAL 72 Cb -0.18 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 3a0c s VAL 72 CO 0.16 -1.16 0.97 0.40 0.00 0.00 0.00 175.10 175.48 3a0c h ILE 73 N 6.67 1.29 -1.85 2.22 1.08 -1.29 -3.48 117.51 122.16 3a0c h ILE 73 Ca -0.26 -3.04 0.00 0.00 -0.39 0.00 0.00 64.86 61.18 3a0c h ILE 73 Cb 1.13 2.68 -0.20 0.00 -3.07 0.00 0.00 36.82 37.36 3a0c h ILE 73 CO 1.24 0.78 0.34 0.86 -0.69 0.00 0.00 178.15 180.68 3a0c s TRP 74 N -2.65 -0.53 -0.16 1.37 -0.00 -1.14 -4.98 118.94 110.85 3a0c s TRP 74 Ca -0.03 0.89 -0.28 0.00 -0.00 0.00 0.00 56.10 56.67 3a0c s TRP 74 Cb 0.09 0.43 0.09 0.00 -0.00 0.00 0.00 33.47 34.08 3a0c s TRP 74 CO 0.83 -0.50 0.81 1.14 -0.00 0.00 0.00 176.95 179.23 3a0c s GLN 75 N -1.26 0.82 0.28 5.86 -2.07 -1.26 0.38 119.66 122.40 3a0c s GLN 75 Ca -0.07 0.46 0.24 0.00 -1.82 0.00 0.00 55.36 54.18 3a0c s GLN 75 Cb -0.00 0.39 0.50 0.00 -1.09 0.00 0.00 33.01 32.81 3a0c s GLN 75 CO 0.06 -0.20 1.59 1.79 -1.32 0.00 0.00 175.29 177.20 3a0c h THR 76 N 3.23 0.00 -2.69 3.63 1.35 -1.62 -3.47 112.91 113.34 3a0c h THR 76 Ca -0.26 -0.72 -0.35 0.00 -0.55 0.00 0.00 66.41 64.54 3a0c h THR 76 Cb 1.16 1.61 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 3a0c h THR 76 CO 0.25 0.00 -0.41 1.17 -0.25 0.00 0.00 175.52 176.28 3a0c n LYS 77 N -2.58 -1.75 -1.67 4.72 4.81 -1.26 -4.87 118.16 115.56 3a0c n LYS 77 Ca 0.04 0.90 -0.34 0.00 -0.87 0.00 0.00 58.31 58.05 3a0c n LYS 77 Cb 0.48 -5.45 0.00 0.00 0.02 0.00 0.00 35.03 30.09 3a0c n LYS 77 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3a0c n THR 78 N -3.28 3.46 -3.26 3.15 -2.24 -1.26 -4.97 114.28 105.89 3a0c n THR 78 Ca -0.20 -3.58 -0.38 0.00 -2.27 0.00 0.00 64.05 57.62 3a0c n THR 78 Cb 0.63 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 3a0c n THR 78 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3a0c s ASN 79 N -0.51 6.73 0.00 3.42 4.22 -1.26 -3.60 114.94 123.93 3a0c s ASN 79 Ca 0.55 0.87 0.00 0.00 -2.14 0.00 0.00 52.86 52.14 3a0c s ASN 79 Cb 0.41 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.63 3a0c s ASN 79 CO -0.30 -0.04 0.00 0.61 -2.04 0.00 0.00 177.10 175.33 3a0c n GLY 80 N 3.31 4.48 3.68 0.45 0.00 0.33 -4.94 105.19 112.48 3a0c n GLY 80 Ca -0.06 -0.59 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 3a0c n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a0c n LYS 81 N 0.00 2.15 -1.91 1.61 4.81 -1.26 -4.74 118.16 118.82 3a0c n LYS 81 Ca 0.00 0.78 -0.39 0.00 -0.87 0.00 0.00 58.31 57.83 3a0c n LYS 81 Cb 0.00 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.42 3a0c n LYS 81 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3a0c s GLU 82 N 2.86 2.71 0.00 1.64 2.56 -1.26 -4.42 118.70 122.79 3a0c s GLU 82 Ca 0.88 1.05 0.00 0.00 0.00 0.00 0.00 54.97 56.90 3a0c s GLU 82 Cb -0.69 -4.38 0.00 0.00 2.00 0.00 0.00 34.13 31.05 3a0c s GLU 82 CO 0.47 -2.60 0.00 -3.47 -0.56 0.00 0.00 175.26 169.09 3a0c n ASP 83 N 12.77 0.00 -3.75 -1.70 -0.08 0.69 -4.97 116.55 119.51 3a0c n ASP 83 Ca 0.25 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.40 3a0c n ASP 83 Cb 0.51 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.84 3a0c n ASP 83 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 3a0c s HIS 84 N 2.54 -0.26 0.44 -0.67 3.76 -1.23 -4.64 115.29 115.21 3a0c s HIS 84 Ca 0.00 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 3a0c s HIS 84 Cb 0.00 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 3a0c s HIS 84 CO 0.00 -0.19 0.09 0.71 -0.85 0.00 0.00 174.74 174.50 3a0c s TYR 85 N 0.98 1.83 -0.04 1.40 1.51 -1.26 -2.89 117.35 118.89 3a0c s TYR 85 Ca -0.07 -1.17 -0.09 0.00 -1.01 0.00 0.00 57.07 54.73 3a0c s TYR 85 Cb -0.09 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3a0c s TYR 85 CO -0.06 -0.12 0.21 0.54 -1.11 0.00 0.00 175.55 175.01 3a0c s VAL 86 N -3.10 0.05 -0.25 0.71 0.11 -0.53 -0.78 120.40 116.61 3a0c s VAL 86 Ca 0.19 -0.38 -0.05 0.00 -2.93 0.00 0.00 61.98 58.81 3a0c s VAL 86 Cb 0.02 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 3a0c s VAL 86 CO 0.11 -0.21 0.00 -0.22 -3.33 0.00 0.00 175.10 171.46 3a0c s LEU 87 N -0.79 3.27 -0.18 2.54 0.20 0.12 -1.04 118.68 122.81 3a0c s LEU 87 Ca -0.09 -0.54 -0.00 0.00 0.69 0.00 0.00 54.13 54.19 3a0c s LEU 87 Cb -0.05 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 3a0c s LEU 87 CO 0.02 -0.09 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.14 3a0c s VAL 88 N 1.47 2.51 -0.44 1.68 1.01 0.21 -0.86 120.40 125.98 3a0c s VAL 88 Ca 0.04 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 3a0c s VAL 88 Cb -0.16 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3a0c s VAL 88 CO -0.01 0.51 0.74 -0.22 0.00 0.00 0.00 175.10 176.12 3a0c s LEU 89 N 1.13 4.33 0.30 3.92 2.96 -0.53 -1.07 118.68 129.71 3a0c s LEU 89 Ca 0.01 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3a0c s LEU 89 Cb -0.14 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 3a0c s LEU 89 CO -0.06 -0.86 0.56 -1.10 -1.32 0.00 0.00 176.35 173.57 3a0c s GLN 90 N 3.13 3.62 0.55 1.98 -0.21 -0.79 -4.79 119.66 123.15 3a0c s GLN 90 Ca 0.28 -0.01 0.37 0.00 0.02 0.00 0.00 55.36 56.01 3a0c s GLN 90 Cb -0.13 -2.63 1.89 0.00 1.00 0.00 0.00 33.01 33.13 3a0c s GLN 90 CO 0.21 0.19 2.12 1.96 -2.12 0.00 0.00 175.29 177.65 3a0c h GLN 91 N 1.54 0.00 -0.33 2.91 4.20 -1.89 0.30 115.11 121.85 3a0c h GLN 91 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3a0c h GLN 91 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3a0c h GLN 91 CO 0.66 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.42 3a0c n ASP 92 N -2.86 1.65 0.00 1.46 5.75 -1.26 -4.52 116.55 116.77 3a0c n ASP 92 Ca -0.02 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3a0c n ASP 92 Cb 0.12 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3a0c n ASP 92 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3a0c n ARG 93 N 0.34 -0.52 -3.18 0.11 0.63 0.11 -5.00 116.66 109.15 3a0c n ARG 93 Ca 0.10 0.13 -0.39 0.00 -0.92 0.00 0.00 57.85 56.77 3a0c n ARG 93 Cb 0.27 -3.88 -0.06 0.00 0.45 0.00 0.00 32.46 29.24 3a0c n ARG 93 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3a0c s ASN 94 N -2.23 7.10 -0.37 6.15 2.47 -1.25 -4.80 114.94 122.01 3a0c s ASN 94 Ca 0.00 1.31 -0.11 0.00 0.42 0.00 0.00 52.86 54.48 3a0c s ASN 94 Cb 0.00 -2.39 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 3a0c s ASN 94 CO 0.00 0.19 0.20 -0.69 -3.72 0.00 0.00 177.10 173.08 3a0c s VAL 95 N -0.74 4.61 0.08 -5.21 1.01 -1.26 -1.89 120.40 117.00 3a0c s VAL 95 Ca 0.32 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3a0c s VAL 95 Cb -0.20 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3a0c s VAL 95 CO 0.20 -0.20 -0.21 -0.69 0.00 0.00 0.00 175.10 174.20 3a0c s VAL 96 N 1.57 2.60 -0.21 2.92 1.01 -0.24 -4.93 120.40 123.13 3a0c s VAL 96 Ca 0.02 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.53 3a0c s VAL 96 Cb -0.19 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3a0c s VAL 96 CO 0.07 0.23 0.02 -0.63 0.00 0.00 0.00 175.10 174.78 3a0c s ILE 97 N -0.99 4.06 0.17 2.22 1.01 -1.26 0.67 121.20 127.09 3a0c s ILE 97 Ca 0.15 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.64 3a0c s ILE 97 Cb -0.10 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3a0c s ILE 97 CO 0.06 0.41 -0.23 -0.31 0.00 0.00 0.00 174.94 174.87 3a0c s TYR 98 N 1.09 2.35 0.00 3.97 1.51 -0.21 -4.97 117.35 121.10 3a0c s TYR 98 Ca 0.03 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 3a0c s TYR 98 Cb -0.14 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 3a0c s TYR 98 CO 0.02 0.46 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 3a0c n GLY 99 N 0.43 2.73 0.00 0.71 0.00 -1.26 -1.45 105.19 106.35 3a0c n GLY 99 Ca -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3a0c n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a0c n PRO 100 N -1.04 0.34 -2.56 1.61 -0.02 -1.26 -5.07 135.00 127.00 3a0c n PRO 100 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 3a0c n PRO 100 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3a0c n PRO 100 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3a0c s VAL 101 N -0.42 3.95 -0.15 -1.45 -7.23 -1.14 -4.94 120.40 109.02 3a0c s VAL 101 Ca 0.00 1.71 0.07 0.00 -1.81 0.00 0.00 61.98 61.95 3a0c s VAL 101 Cb 0.00 -4.09 -0.14 0.00 0.56 0.00 0.00 36.38 32.71 3a0c s VAL 101 CO 0.00 0.30 -0.03 0.52 -0.31 0.00 0.00 175.10 175.58 3a0c n VAL 102 N 2.30 0.93 -3.50 1.32 0.31 -1.26 -5.04 118.33 113.39 3a0c n VAL 102 Ca 0.02 -0.48 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 3a0c n VAL 102 Cb 0.47 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 3a0c n VAL 102 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3a0c s TRP 103 N -2.33 -0.45 0.06 3.52 -0.00 -1.26 -5.18 118.94 113.31 3a0c s TRP 103 Ca -0.13 0.47 -0.19 0.00 -0.00 0.00 0.00 56.10 56.25 3a0c s TRP 103 Cb 0.05 0.50 0.04 0.00 -0.00 0.00 0.00 33.47 34.06 3a0c s TRP 103 CO 0.48 -0.58 0.45 0.00 -0.00 0.00 0.00 176.95 177.29 3a0c s ALA 104 N -2.55 -1.11 -0.08 5.86 0.00 -1.26 -5.05 121.76 117.57 3a0c s ALA 104 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 51.96 52.43 3a0c s ALA 104 Cb -0.01 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3a0c s ALA 104 CO -0.05 -0.51 1.36 1.79 0.00 0.00 0.00 175.76 178.35 3a0c h THR 105 N 2.81 1.08 0.00 0.00 1.35 -2.03 -3.47 112.91 112.65 3a0c h THR 105 Ca -0.32 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 3a0c h THR 105 Cb 1.22 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 3a0c h THR 105 CO 0.43 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 3a0c n GLY 106 N 1.27 0.51 0.00 5.82 0.00 -1.26 -4.87 105.19 106.66 3a0c n GLY 106 Ca 0.01 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3a0c n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a0c n SER 107 N 0.00 0.00 -3.40 1.61 3.41 -1.26 -4.80 113.62 109.18 3a0c n SER 107 Ca 0.00 0.39 -0.19 0.00 -0.26 0.00 0.00 58.87 58.81 3a0c n SER 107 Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 3a0c n SER 107 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3a0c s GLY 108 N -2.91 2.23 0.00 5.00 0.00 -1.26 -5.32 107.32 105.06 3a0c s GLY 108 Ca 0.13 -2.02 0.21 0.00 0.00 0.00 0.00 44.72 43.03 3a0c s GLY 108 CO 0.39 -1.44 1.61 -1.55 0.00 0.00 0.00 173.10 172.11