#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcg h LYS 3 N 0.00 1.08 -0.12 4.33 6.56 -1.92 -2.84 116.57 123.66 2hcg h LYS 3 Ca 0.00 -0.33 0.02 0.00 -1.06 0.00 0.00 60.65 59.28 2hcg h LYS 3 Cb 0.00 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 2hcg h LYS 3 CO 0.00 1.03 0.08 0.78 -2.06 0.00 0.00 179.45 179.28 2hcg h GLY 4 N 0.98 0.10 1.55 3.86 0.00 -1.73 -2.26 103.07 105.58 2hcg h GLY 4 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.54 2hcg h GLY 4 CO 0.03 0.03 0.16 -2.09 0.00 0.00 0.00 176.54 174.67 2hcg h GLU 5 N 0.10 0.00 0.00 4.80 4.81 -1.65 -1.15 114.58 121.49 2hcg h GLU 5 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2hcg h GLU 5 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2hcg h GLU 5 CO -0.01 0.00 -0.04 0.93 -0.73 0.00 0.00 179.01 179.16 2hcg h GLU 6 N 0.00 0.00 0.00 1.92 5.08 -1.58 -1.45 114.58 118.56 2hcg h GLU 6 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2hcg h GLU 6 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2hcg h GLU 6 CO -0.00 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 2hcg n LEU 7 N -3.82 0.00 -0.19 1.33 4.77 -0.44 -3.68 117.00 114.98 2hcg n LEU 7 Ca -0.03 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2hcg n LEU 7 Cb 0.14 -0.44 0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2hcg n LEU 7 CO 0.29 -0.14 0.56 0.49 -1.33 0.00 0.00 177.39 177.25 2hcg n PHE 8 N -1.44 0.15 0.57 -1.77 3.01 -0.54 -4.70 117.46 112.73 2hcg n PHE 8 Ca 0.06 -0.71 0.12 0.00 1.01 0.00 0.00 57.45 57.93 2hcg n PHE 8 Cb 0.21 -0.11 0.45 0.00 -0.01 0.00 0.00 39.48 40.03 2hcg n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2hcg n THR 9 N -0.71 0.65 -4.09 4.37 -2.24 -1.24 -4.23 114.28 106.79 2hcg n THR 9 Ca 0.09 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.80 2hcg n THR 9 Cb 0.47 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 2hcg n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hcg n GLY 10 N 0.75 4.05 3.71 3.38 0.00 -1.26 -4.82 105.19 111.00 2hcg n GLY 10 Ca 0.04 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2hcg n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hcg s VAL 11 N -1.49 3.57 -0.11 1.61 1.01 -1.26 -4.54 120.40 119.19 2hcg s VAL 11 Ca 0.01 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.14 2hcg s VAL 11 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2hcg s VAL 11 CO 0.01 0.07 -0.22 -0.69 0.00 0.00 0.00 175.10 174.27 2hcg s VAL 12 N 1.29 1.98 0.48 2.92 1.01 -0.13 -4.97 120.40 122.99 2hcg s VAL 12 Ca 0.63 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2hcg s VAL 12 Cb -0.34 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 2hcg s VAL 12 CO 0.29 0.54 1.20 -2.84 0.00 0.00 0.00 175.10 174.29 2hcg s PRO 13 N 0.51 3.61 -0.02 2.72 0.02 -1.26 -1.17 135.00 139.41 2hcg s PRO 13 Ca -0.15 1.84 0.05 0.00 0.02 0.00 0.00 61.00 62.77 2hcg s PRO 13 Cb -0.17 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.99 2hcg s PRO 13 CO 0.05 -0.69 -0.18 0.42 -0.33 0.00 0.00 177.00 176.27 2hcg s ILE 14 N -1.52 1.43 -0.04 2.83 1.01 -0.12 -1.23 121.20 123.56 2hcg s ILE 14 Ca 0.66 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.59 2hcg s ILE 14 Cb -0.30 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2hcg s ILE 14 CO 0.36 0.41 -0.21 -0.76 0.00 0.00 0.00 174.94 174.74 2hcg s LEU 15 N -0.36 1.99 -0.07 2.97 1.43 -0.38 -2.36 118.68 121.89 2hcg s LEU 15 Ca 0.06 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2hcg s LEU 15 Cb -0.08 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2hcg s LEU 15 CO -0.00 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.93 2hcg s VAL 16 N -0.11 1.38 -0.07 -1.59 1.01 -0.12 -1.13 120.40 119.77 2hcg s VAL 16 Ca -0.02 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 2hcg s VAL 16 Cb -0.12 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2hcg s VAL 16 CO 0.02 0.41 -0.04 -1.61 0.00 0.00 0.00 175.10 173.88 2hcg s GLU 17 N 0.53 0.98 -0.04 2.72 0.41 -0.24 -0.07 118.70 122.99 2hcg s GLU 17 Ca -0.15 -0.08 0.04 0.00 -0.41 0.00 0.00 54.97 54.37 2hcg s GLU 17 Cb -0.16 -1.11 -0.00 0.00 -1.78 0.00 0.00 34.13 31.08 2hcg s GLU 17 CO 0.05 -0.20 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.29 2hcg s LEU 18 N 1.49 1.88 -0.15 1.80 0.20 -0.16 -0.51 118.68 123.23 2hcg s LEU 18 Ca -0.01 -0.33 -0.02 0.00 0.69 0.00 0.00 54.13 54.45 2hcg s LEU 18 Cb -0.13 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.69 2hcg s LEU 18 CO -0.04 0.13 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.46 2hcg s ASP 19 N 0.10 4.48 0.09 3.68 2.15 -0.28 -1.36 116.67 125.53 2hcg s ASP 19 Ca -0.05 -0.21 0.04 0.00 0.43 0.00 0.00 52.55 52.76 2hcg s ASP 19 Cb -0.11 -1.72 -0.03 0.00 -0.30 0.00 0.00 42.92 40.76 2hcg s ASP 19 CO 0.02 0.16 -0.10 -0.83 -0.17 0.00 0.00 175.17 174.25 2hcg s GLY 20 N 0.40 0.81 -0.15 2.66 0.00 0.55 -0.54 107.32 111.05 2hcg s GLY 20 Ca -0.06 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 2hcg s GLY 20 CO 0.04 -1.19 0.16 -0.35 0.00 0.00 0.00 173.10 171.76 2hcg s ASP 21 N -2.27 1.41 -0.24 1.64 -1.08 -0.61 -1.53 116.67 113.98 2hcg s ASP 21 Ca 0.03 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 51.95 2hcg s ASP 21 Cb -0.04 0.16 0.05 0.00 -1.46 0.00 0.00 42.92 41.62 2hcg s ASP 21 CO 0.00 -0.30 -0.12 -0.69 0.52 0.00 0.00 175.17 174.58 2hcg s VAL 22 N 2.26 2.25 -1.34 1.11 1.01 -0.32 -0.12 120.40 125.25 2hcg s VAL 22 Ca 0.04 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.56 2hcg s VAL 22 Cb -0.14 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2hcg s VAL 22 CO -0.09 0.13 0.44 0.59 0.00 0.00 0.00 175.10 176.17 2hcg n ASN 23 N 4.51 -4.49 0.00 3.32 4.13 -0.45 -0.84 115.26 121.45 2hcg n ASN 23 Ca -0.16 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 55.84 2hcg n ASN 23 Cb 0.45 -3.69 0.00 0.00 -1.54 0.00 0.00 39.78 34.99 2hcg n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hcg n GLY 24 N -1.21 1.38 3.60 7.41 0.00 -1.26 -5.01 105.19 110.09 2hcg n GLY 24 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2hcg n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hcg s HIS 25 N -3.29 2.77 -0.07 1.61 3.76 -0.02 -5.02 115.29 115.03 2hcg s HIS 25 Ca 0.00 0.67 -0.15 0.00 -0.15 0.00 0.00 55.06 55.43 2hcg s HIS 25 Cb 0.00 -4.45 -0.05 0.00 1.11 0.00 0.00 32.58 29.19 2hcg s HIS 25 CO 0.00 -1.35 0.38 0.15 -0.85 0.00 0.00 174.74 173.07 2hcg s LYS 26 N 4.55 4.07 0.15 1.40 1.02 -1.26 -1.17 119.74 128.51 2hcg s LYS 26 Ca 0.48 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.61 2hcg s LYS 26 Cb -0.07 -3.32 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2hcg s LYS 26 CO 0.31 0.46 0.46 -0.59 -0.92 0.00 0.00 175.35 175.07 2hcg s PHE 27 N -0.29 -0.21 0.01 3.18 -0.71 -0.58 -5.00 117.98 114.38 2hcg s PHE 27 Ca 0.22 -0.10 0.02 0.00 -1.04 0.00 0.00 56.93 56.03 2hcg s PHE 27 Cb -0.15 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 2hcg s PHE 27 CO 0.10 -0.78 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.02 2hcg s SER 28 N -2.82 0.65 -0.03 1.98 0.01 -1.26 -0.33 113.70 111.90 2hcg s SER 28 Ca 0.05 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.10 2hcg s SER 28 Cb 0.01 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 2hcg s SER 28 CO -0.09 -0.03 -0.15 -0.69 0.41 0.00 0.00 173.24 172.68 2hcg s VAL 29 N -0.54 1.25 -0.06 3.43 1.01 -0.46 -1.26 120.40 123.76 2hcg s VAL 29 Ca -0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2hcg s VAL 29 Cb -0.05 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 2hcg s VAL 29 CO -0.00 0.36 -0.20 -0.44 0.00 0.00 0.00 175.10 174.82 2hcg s SER 30 N 0.01 2.59 0.08 3.32 0.01 -0.36 -0.99 113.70 118.36 2hcg s SER 30 Ca -0.02 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 56.88 2hcg s SER 30 Cb -0.10 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 2hcg s SER 30 CO 0.01 0.17 -0.21 -0.83 0.41 0.00 0.00 173.24 172.79 2hcg s GLY 31 N 0.14 1.21 0.02 3.44 0.00 0.90 -0.78 107.32 112.24 2hcg s GLY 31 Ca -0.09 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.47 2hcg s GLY 31 CO 0.04 -1.14 -0.06 -0.54 0.00 0.00 0.00 173.10 171.40 2hcg s GLU 32 N -1.58 0.46 0.00 2.90 2.02 -0.63 -0.94 118.70 120.92 2hcg s GLU 32 Ca 0.07 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2hcg s GLU 32 Cb -0.09 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.85 2hcg s GLU 32 CO 0.03 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2hcg n GLY 33 N 2.00 -0.70 3.41 -1.39 0.00 -1.00 -1.34 105.19 106.17 2hcg n GLY 33 Ca -0.19 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 2hcg n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hcg s GLU 34 N -0.97 1.22 0.03 1.61 -1.05 -0.36 -0.94 118.70 118.24 2hcg s GLU 34 Ca 0.00 -0.83 0.03 0.00 -0.15 0.00 0.00 54.97 54.02 2hcg s GLU 34 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2hcg s GLU 34 CO 0.00 -0.49 -0.10 0.20 0.95 0.00 0.00 175.26 175.81 2hcg s GLY 35 N -2.85 0.58 -0.34 -3.83 0.00 -0.32 -1.45 107.32 99.10 2hcg s GLY 35 Ca 0.07 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 2hcg s GLY 35 CO -0.06 -0.64 0.16 -0.35 0.00 0.00 0.00 173.10 172.21 2hcg s ASP 36 N -0.96 3.59 0.56 1.64 -1.08 0.13 -0.95 116.67 119.60 2hcg s ASP 36 Ca -0.01 -1.91 0.30 0.00 -0.52 0.00 0.00 52.55 50.41 2hcg s ASP 36 Cb -0.07 -0.68 1.66 0.00 -1.46 0.00 0.00 42.92 42.37 2hcg s ASP 36 CO 0.01 -0.36 2.15 0.00 0.52 0.00 0.00 175.17 177.48 2hcg h ALA 37 N 7.60 1.30 -0.59 3.66 0.00 -1.74 -1.01 119.26 128.49 2hcg h ALA 37 Ca -0.07 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2hcg h ALA 37 Cb 0.98 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2hcg h ALA 37 CO 0.42 0.08 0.42 1.15 0.00 0.00 0.00 179.25 181.32 2hcg h THR 38 N 0.00 0.74 -0.08 0.00 2.02 -1.87 -1.98 112.91 111.73 2hcg h THR 38 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2hcg h THR 38 Cb 0.22 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2hcg h THR 38 CO 0.01 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 2hcg n TYR 39 N -4.39 0.10 -2.64 3.16 4.01 -0.46 -4.96 117.16 111.99 2hcg n TYR 39 Ca 0.11 -0.49 -0.20 0.00 -0.16 0.00 0.00 57.90 57.16 2hcg n TYR 39 Cb 0.61 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2hcg n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hcg n GLY 40 N -0.26 -0.50 3.44 2.72 0.00 -0.74 -4.75 105.19 105.10 2hcg n GLY 40 Ca 0.03 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2hcg n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hcg s LYS 41 N -5.29 3.55 -0.05 1.61 2.20 -0.76 -0.71 119.74 120.30 2hcg s LYS 41 Ca 0.11 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 2hcg s LYS 41 Cb -0.05 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2hcg s LYS 41 CO 0.13 0.22 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.59 2hcg s LEU 42 N 0.39 2.06 -0.19 5.43 1.43 0.04 -0.69 118.68 127.15 2hcg s LEU 42 Ca -0.07 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2hcg s LEU 42 Cb -0.15 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.79 2hcg s LEU 42 CO 0.04 0.26 0.01 0.42 0.23 0.00 0.00 176.35 177.31 2hcg s THR 43 N -0.25 0.69 0.02 5.49 -4.23 -0.53 -1.29 115.64 115.54 2hcg s THR 43 Ca -0.01 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2hcg s THR 43 Cb -0.13 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 2hcg s THR 43 CO 0.03 -0.13 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.18 2hcg s LEU 44 N 1.79 2.18 -0.15 4.79 1.43 -0.67 -1.22 118.68 126.83 2hcg s LEU 44 Ca -0.01 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2hcg s LEU 44 Cb -0.17 -0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.06 2hcg s LEU 44 CO -0.07 -0.20 -0.20 -0.75 0.23 0.00 0.00 176.35 175.36 2hcg s LYS 45 N -1.11 3.08 -0.05 1.70 2.20 -0.45 -0.74 119.74 124.38 2hcg s LYS 45 Ca -0.10 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 2hcg s LYS 45 Cb -0.07 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2hcg s LYS 45 CO -0.00 -0.02 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.88 2hcg s PHE 46 N 0.85 3.03 -0.05 4.03 0.40 0.42 -1.61 117.98 125.04 2hcg s PHE 46 Ca -0.06 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 2hcg s PHE 46 Cb -0.15 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.67 2hcg s PHE 46 CO -0.02 0.41 -0.14 0.42 0.70 0.00 0.00 175.22 176.59 2hcg s ILE 47 N -0.92 1.19 -0.40 0.64 1.01 0.04 -0.62 121.20 122.14 2hcg s ILE 47 Ca 0.15 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 2hcg s ILE 47 Cb -0.11 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.32 2hcg s ILE 47 CO 0.04 0.36 1.10 0.00 0.00 0.00 0.00 174.94 176.45 2hcg n THR 49 N 6.38 0.00 1.03 0.00 -2.24 -0.39 -3.65 114.28 115.41 2hcg n THR 49 Ca 0.12 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 2hcg n THR 49 Cb 0.48 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.89 2hcg n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hcg n THR 50 N -0.99 0.00 0.00 4.28 -2.24 -1.25 -5.01 114.28 109.07 2hcg n THR 50 Ca 0.11 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2hcg n THR 50 Cb 0.32 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2hcg n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hcg n GLY 51 N 1.42 0.36 3.74 3.38 0.00 -1.24 -5.04 105.19 107.81 2hcg n GLY 51 Ca 0.09 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2hcg n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hcg s LYS 52 N -1.09 4.62 0.07 1.61 2.20 -1.26 -4.51 119.74 121.38 2hcg s LYS 52 Ca 0.00 1.73 -0.31 0.00 -0.36 0.00 0.00 55.97 57.03 2hcg s LYS 52 Cb 0.00 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2hcg s LYS 52 CO 0.00 0.14 1.33 -1.17 -0.36 0.00 0.00 175.35 175.28 2hcg s LEU 53 N -0.70 4.36 0.00 5.43 2.96 -1.26 -4.92 118.68 124.54 2hcg s LEU 53 Ca 0.48 2.17 0.30 0.00 -0.22 0.00 0.00 54.13 56.86 2hcg s LEU 53 Cb -0.30 -3.58 1.55 0.00 0.50 0.00 0.00 46.19 44.36 2hcg s LEU 53 CO 0.36 -0.61 2.03 -0.81 -1.32 0.00 0.00 176.35 176.01 2hcg n PRO 54 N 4.30 1.01 -4.35 0.98 -0.04 -1.26 -4.79 135.00 130.84 2hcg n PRO 54 Ca 0.11 -0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 2hcg n PRO 54 Cb 0.44 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2hcg n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hcg s VAL 55 N -2.16 1.48 0.27 0.52 -7.23 -1.26 -4.70 120.40 107.32 2hcg s VAL 55 Ca 0.40 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2hcg s VAL 55 Cb 0.21 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 2hcg s VAL 55 CO 0.40 -0.49 1.29 -2.84 -0.31 0.00 0.00 175.10 173.15 2hcg s PRO 56 N -3.73 4.40 0.26 4.82 0.02 -1.26 -4.93 135.00 134.58 2hcg s PRO 56 Ca 0.24 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 2hcg s PRO 56 Cb 0.02 -3.13 0.54 0.00 0.02 0.00 0.00 34.50 31.95 2hcg s PRO 56 CO 0.07 -0.18 1.68 -1.49 -0.33 0.00 0.00 177.00 176.76 2hcg h TRP 57 N 4.27 0.33 -0.15 6.54 4.06 -1.95 -1.20 115.95 127.84 2hcg h TRP 57 Ca -0.47 0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.57 2hcg h TRP 57 Cb 1.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 2hcg h TRP 57 CO 0.59 -0.10 0.13 -1.35 -3.56 0.00 0.00 178.44 174.14 2hcg h PRO 58 N 0.28 0.00 0.00 0.49 0.11 -1.89 -0.82 132.00 130.17 2hcg h PRO 58 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2hcg h PRO 58 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2hcg h PRO 58 CO -0.54 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.50 2hcg n THR 59 N -4.22 0.91 0.96 -1.15 -2.24 -0.45 -2.60 114.28 105.49 2hcg n THR 59 Ca 0.01 0.32 0.10 0.00 -2.27 0.00 0.00 64.05 62.20 2hcg n THR 59 Cb 0.25 -1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.17 2hcg n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2hcg n LEU 60 N -2.15 1.42 -0.06 3.22 4.77 -0.32 -4.66 117.00 119.22 2hcg n LEU 60 Ca 0.02 -0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 55.31 2hcg n LEU 60 Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2hcg n LEU 60 CO 0.17 0.30 0.83 0.58 -1.33 0.00 0.00 177.39 177.94 2hcg h VAL 61 N 1.05 0.78 -0.21 4.08 2.07 -1.52 -0.84 116.25 121.66 2hcg h VAL 61 Ca 0.00 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2hcg h VAL 61 Cb 0.59 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2hcg h VAL 61 CO 0.00 0.00 -0.06 0.71 0.02 0.00 0.00 177.57 178.24 2hcg h THR 62 N 0.03 1.17 -0.35 2.57 1.35 -1.83 -2.62 112.91 113.23 2hcg h THR 62 Ca 0.12 -0.70 -0.13 0.00 -0.55 0.00 0.00 66.41 65.14 2hcg h THR 62 Cb 0.17 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2hcg h THR 62 CO -0.24 0.23 -0.31 0.74 -0.25 0.00 0.00 175.52 175.69 2hcg h THR 63 N 0.30 1.29 0.00 6.82 2.02 -1.67 -3.46 112.91 118.21 2hcg h THR 63 Ca 0.07 -1.47 -0.35 0.00 0.77 0.00 0.00 66.41 65.43 2hcg h THR 63 Cb 0.31 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2hcg h THR 63 CO 0.01 0.48 2.28 0.18 0.37 0.00 0.00 175.52 178.85 2hcg n LEU 64 N -4.18 4.74 0.00 2.58 4.77 -0.39 -5.03 117.00 119.49 2hcg n LEU 64 Ca -0.03 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 2hcg n LEU 64 Cb 0.49 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2hcg n LEU 64 CO 0.46 0.66 0.00 1.33 -1.33 0.00 0.00 177.39 178.52 2hcg n VAL 68 N 3.99 0.00 0.84 4.08 0.24 -1.26 -5.01 118.33 121.22 2hcg n VAL 68 Ca 0.42 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.81 2hcg n VAL 68 Cb 0.18 0.00 0.44 0.00 -1.47 0.00 0.00 33.84 32.99 2hcg n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hcg n GLN 69 N 0.00 0.29 0.24 7.34 6.02 -1.26 -1.30 117.38 128.70 2hcg n GLN 69 Ca 0.00 0.11 0.16 0.00 -0.01 0.00 0.00 57.00 57.26 2hcg n GLN 69 Cb 0.00 -1.50 0.84 0.00 1.02 0.00 0.00 30.24 30.60 2hcg n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hcg n PHE 71 N -2.62 0.20 -1.79 0.00 3.72 -0.42 -4.69 117.46 111.85 2hcg n PHE 71 Ca -0.02 -0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 56.90 2hcg n PHE 71 Cb 0.07 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.65 2hcg n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hcg s SER 72 N -1.60 5.34 -0.40 4.37 0.01 -0.77 -4.12 113.70 116.54 2hcg s SER 72 Ca 0.33 2.78 -0.24 0.00 1.31 0.00 0.00 55.95 60.12 2hcg s SER 72 Cb 0.18 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2hcg s SER 72 CO 0.27 -1.52 0.86 -0.60 0.41 0.00 0.00 173.24 172.65 2hcg s ARG 73 N -2.86 3.68 -0.36 12.44 3.52 0.24 -4.79 118.95 130.82 2hcg s ARG 73 Ca 0.70 0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 56.40 2hcg s ARG 73 Cb -0.41 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 2hcg s ARG 73 CO 0.49 -1.00 0.59 0.71 -0.81 0.00 0.00 175.30 175.28 2hcg s TYR 74 N 3.38 3.15 0.51 5.12 1.51 -1.26 -0.54 117.35 129.23 2hcg s TYR 74 Ca 0.34 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.43 2hcg s TYR 74 Cb -0.12 -3.08 -0.08 0.00 -0.11 0.00 0.00 41.96 38.56 2hcg s TYR 74 CO 0.20 -0.62 0.88 -2.30 -1.11 0.00 0.00 175.55 172.60 2hcg n PRO 75 N 5.96 0.99 -0.33 -1.71 -0.02 -1.26 -4.70 135.00 133.93 2hcg n PRO 75 Ca -0.03 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 61.99 2hcg n PRO 75 Cb 0.49 -2.00 0.36 0.00 -0.02 0.00 0.00 33.50 32.33 2hcg n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2hcg h ASP 76 N 0.88 0.50 0.56 2.55 3.58 -2.00 0.13 116.42 122.62 2hcg h ASP 76 Ca -0.46 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2hcg h ASP 76 Cb 1.36 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2hcg h ASP 76 CO 0.52 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.91 2hcg n HIS 77 N -4.98 0.00 -0.06 0.28 1.44 -1.26 -2.41 115.22 108.24 2hcg n HIS 77 Ca 0.25 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.97 2hcg n HIS 77 Cb 0.73 -0.49 0.03 0.00 0.12 0.00 0.00 29.99 30.38 2hcg n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2hcg n MET 78 N -1.49 2.94 0.31 -1.40 2.81 0.42 -4.78 117.12 115.93 2hcg n MET 78 Ca 0.04 -1.61 0.20 0.00 -1.81 0.00 0.00 57.70 54.51 2hcg n MET 78 Cb 0.19 -1.06 0.96 0.00 -0.71 0.00 0.00 33.22 32.60 2hcg n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2hcg h LYS 79 N 0.31 0.00 0.00 0.03 -0.00 -1.11 -0.09 116.57 115.71 2hcg h LYS 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2hcg h LYS 79 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.78 2hcg h LYS 79 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 179.45 179.46 2hcg n GLN 80 N -3.13 0.44 -0.29 0.07 0.00 -1.26 -2.66 117.38 110.54 2hcg n GLN 80 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 57.00 57.12 2hcg n GLN 80 Cb 0.18 -1.50 0.24 0.00 0.00 0.00 0.00 30.24 29.16 2hcg n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2hcg n HIS 81 N -1.11 0.75 -3.03 2.61 8.25 -0.05 -4.62 115.22 118.02 2hcg n HIS 81 Ca 0.11 -0.52 -0.44 0.00 -0.26 0.00 0.00 57.72 56.61 2hcg n HIS 81 Cb 0.09 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 2hcg n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2hcg s ASP 82 N -1.03 6.83 0.16 0.41 -1.08 -1.09 -4.52 116.67 116.35 2hcg s ASP 82 Ca 0.36 -2.53 -0.16 0.00 -0.52 0.00 0.00 52.55 49.70 2hcg s ASP 82 Cb 0.19 -2.36 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 2hcg s ASP 82 CO 0.23 -0.84 1.82 0.15 0.52 0.00 0.00 175.17 177.05 2hcg h PHE 83 N 8.04 0.52 -0.19 -5.34 3.57 -1.90 -3.10 116.94 118.53 2hcg h PHE 83 Ca 0.20 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2hcg h PHE 83 Cb 0.97 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2hcg h PHE 83 CO 1.10 0.33 0.03 0.74 -2.23 0.00 0.00 178.31 178.28 2hcg h PHE 84 N 0.56 0.05 0.00 0.41 0.04 -1.89 -1.51 116.94 114.61 2hcg h PHE 84 Ca 0.15 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 2hcg h PHE 84 Cb -0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2hcg h PHE 84 CO -0.05 0.01 -0.49 0.87 -0.60 0.00 0.00 178.31 178.05 2hcg h LYS 85 N 0.11 0.00 0.00 1.51 1.57 -1.84 -3.08 116.57 114.83 2hcg h LYS 85 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2hcg h LYS 85 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2hcg h LYS 85 CO -0.12 0.49 -0.05 0.66 -0.57 0.00 0.00 179.45 179.86 2hcg h SER 86 N 0.00 0.00 0.57 0.86 4.64 -1.21 -1.85 113.55 116.57 2hcg h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hcg h SER 86 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2hcg h SER 86 CO 0.06 0.05 -0.08 0.00 -0.87 0.00 0.00 176.83 175.99 2hcg n ALA 87 N -2.13 2.64 -2.30 5.18 0.00 -0.94 -4.60 120.51 118.38 2hcg n ALA 87 Ca -0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2hcg n ALA 87 Cb 0.30 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 2hcg n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2hcg s MET 88 N -2.65 3.83 0.00 0.00 1.00 -0.69 -0.67 119.30 120.11 2hcg s MET 88 Ca 0.24 0.40 0.28 0.00 0.00 0.00 0.00 55.69 56.61 2hcg s MET 88 Cb 0.20 -2.52 0.98 0.00 0.00 0.00 0.00 34.83 33.48 2hcg s MET 88 CO 0.50 0.17 1.74 -0.35 0.00 0.00 0.00 175.02 177.08 2hcg n PRO 89 N -0.59 0.08 -0.03 2.03 -0.04 -1.26 -4.19 135.00 130.99 2hcg n PRO 89 Ca 0.01 -0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2hcg n PRO 89 Cb 0.53 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 2hcg n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2hcg h GLU 90 N 0.06 0.61 0.00 0.54 3.07 -1.90 -2.76 114.58 114.19 2hcg h GLU 90 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2hcg h GLU 90 Cb 0.48 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2hcg h GLU 90 CO 0.00 0.58 0.00 0.41 -1.40 0.00 0.00 179.01 178.60 2hcg n GLY 91 N -0.95 -1.78 3.09 -3.84 0.00 0.15 -4.63 105.19 97.23 2hcg n GLY 91 Ca 0.02 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 2hcg n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hcg s TYR 92 N -0.13 0.34 -0.12 1.61 -0.85 -0.38 -0.77 117.35 117.06 2hcg s TYR 92 Ca 0.00 -0.76 -0.16 0.00 -0.52 0.00 0.00 57.07 55.63 2hcg s TYR 92 Cb 0.00 -0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2hcg s TYR 92 CO 0.00 -0.36 0.40 0.08 -1.52 0.00 0.00 175.55 174.15 2hcg s VAL 93 N -3.11 5.21 -0.17 -3.49 1.01 0.42 -1.12 120.40 119.15 2hcg s VAL 93 Ca -0.01 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2hcg s VAL 93 Cb 0.02 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2hcg s VAL 93 CO -0.07 0.39 -0.20 -1.58 0.00 0.00 0.00 175.10 173.63 2hcg s GLN 94 N 0.32 2.95 -0.02 2.72 0.74 0.13 -1.48 119.66 125.03 2hcg s GLN 94 Ca 0.22 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.88 2hcg s GLN 94 Cb -0.15 -2.50 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 2hcg s GLN 94 CO 0.08 -0.16 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.24 2hcg s GLU 95 N 1.17 2.19 0.07 1.67 2.02 0.09 -0.53 118.70 125.38 2hcg s GLU 95 Ca 0.02 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.15 2hcg s GLU 95 Cb -0.14 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2hcg s GLU 95 CO -0.10 0.57 -0.08 1.03 0.02 0.00 0.00 175.26 176.71 2hcg s ARG 96 N -0.78 0.69 -0.18 1.61 0.52 -0.71 -0.97 118.95 119.13 2hcg s ARG 96 Ca 0.11 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.28 2hcg s ARG 96 Cb -0.10 -0.30 -0.00 0.00 0.52 0.00 0.00 34.95 35.06 2hcg s ARG 96 CO 0.00 0.03 -0.12 0.99 0.02 0.00 0.00 175.30 176.23 2hcg s THR 97 N -2.33 2.89 -0.29 0.02 2.01 -0.46 -1.31 115.64 116.16 2hcg s THR 97 Ca 0.00 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2hcg s THR 97 Cb -0.03 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.26 2hcg s THR 97 CO -0.02 0.49 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 2hcg s ILE 98 N 1.07 3.05 -0.38 1.82 1.01 0.51 -1.51 121.20 126.77 2hcg s ILE 98 Ca -0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.30 2hcg s ILE 98 Cb -0.15 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.67 2hcg s ILE 98 CO -0.03 -0.02 0.22 -0.44 0.00 0.00 0.00 174.94 174.67 2hcg s SER 99 N 1.29 5.74 -0.28 3.58 0.01 0.24 -0.91 113.70 123.37 2hcg s SER 99 Ca -0.03 -1.08 -0.27 0.00 1.31 0.00 0.00 55.95 55.88 2hcg s SER 99 Cb -0.19 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.02 2hcg s SER 99 CO -0.02 -0.42 0.94 -0.36 0.41 0.00 0.00 173.24 173.80 2hcg s PHE 100 N 1.54 3.25 0.21 2.43 0.40 -0.41 -1.22 117.98 124.17 2hcg s PHE 100 Ca 0.02 1.16 -0.32 0.00 -0.60 0.00 0.00 56.93 57.18 2hcg s PHE 100 Cb -0.20 -3.32 -0.14 0.00 0.51 0.00 0.00 43.02 39.87 2hcg s PHE 100 CO 0.06 -0.56 1.47 1.17 0.70 0.00 0.00 175.22 178.06 2hcg n LYS 101 N 6.37 2.08 -1.98 0.44 4.81 -0.46 -1.11 118.16 128.31 2hcg n LYS 101 Ca 0.08 0.74 -0.21 0.00 -0.87 0.00 0.00 58.31 58.06 2hcg n LYS 101 Cb 0.47 -2.44 -0.05 0.00 0.02 0.00 0.00 35.03 33.03 2hcg n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hcg n ASP 102 N 2.58 -5.67 -0.16 3.14 8.00 -1.26 -4.82 116.55 118.36 2hcg n ASP 102 Ca 0.13 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2hcg n ASP 102 Cb 0.30 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.53 2hcg n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2hcg n ASP 103 N -1.67 0.00 -2.64 -2.24 -0.08 -0.26 -4.94 116.55 104.72 2hcg n ASP 103 Ca -0.23 -0.16 -0.09 0.00 -1.51 0.00 0.00 54.79 52.81 2hcg n ASP 103 Cb 0.68 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.21 2hcg n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hcg n GLY 104 N 0.00 -1.63 3.04 0.27 0.00 -1.11 -4.58 105.19 101.18 2hcg n GLY 104 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 2hcg n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hcg s ASN 105 N -2.42 0.78 -0.12 1.61 2.20 -0.75 -1.29 114.94 114.94 2hcg s ASN 105 Ca 0.22 -0.50 -0.08 0.00 -0.94 0.00 0.00 52.86 51.56 2hcg s ASN 105 Cb -0.01 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.23 2hcg s ASN 105 CO 0.16 -0.19 0.15 -0.31 -2.94 0.00 0.00 177.10 173.97 2hcg s TYR 106 N -1.27 3.58 -0.13 1.54 2.02 -0.09 -1.68 117.35 121.32 2hcg s TYR 106 Ca -0.09 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2hcg s TYR 106 Cb -0.09 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2hcg s TYR 106 CO 0.00 0.69 -0.15 0.15 -1.57 0.00 0.00 175.55 174.67 2hcg s LYS 107 N -0.88 3.31 0.04 -0.62 1.02 0.45 -0.37 119.74 122.70 2hcg s LYS 107 Ca 0.15 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 55.48 2hcg s LYS 107 Cb -0.12 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2hcg s LYS 107 CO 0.04 0.17 -0.17 0.95 -0.92 0.00 0.00 175.35 175.42 2hcg s THR 108 N 0.45 1.36 -0.07 2.17 -4.23 -0.43 -0.71 115.64 114.18 2hcg s THR 108 Ca -0.11 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2hcg s THR 108 Cb -0.16 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.49 2hcg s THR 108 CO 0.05 0.08 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.56 2hcg s ARG 109 N -1.19 1.08 0.08 3.99 3.52 -0.53 -1.74 118.95 124.16 2hcg s ARG 109 Ca 0.04 -0.15 0.05 0.00 -0.13 0.00 0.00 55.73 55.54 2hcg s ARG 109 Cb -0.08 -1.11 -0.03 0.00 -1.56 0.00 0.00 34.95 32.17 2hcg s ARG 109 CO 0.02 -0.13 -0.13 0.00 -0.81 0.00 0.00 175.30 174.24 2hcg s ALA 110 N 1.20 1.17 -0.17 6.12 0.00 0.31 -0.89 121.76 129.50 2hcg s ALA 110 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2hcg s ALA 110 Cb -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2hcg s ALA 110 CO -0.02 0.11 -0.15 -1.21 0.00 0.00 0.00 175.76 174.50 2hcg s GLU 111 N -2.02 3.18 -0.24 0.00 2.02 -0.06 -0.69 118.70 120.90 2hcg s GLU 111 Ca 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 2hcg s GLU 111 Cb -0.08 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.53 2hcg s GLU 111 CO 0.02 -0.05 -0.09 0.08 0.02 0.00 0.00 175.26 175.24 2hcg s VAL 112 N 0.97 2.67 0.24 2.63 1.01 -0.28 -1.57 120.40 126.07 2hcg s VAL 112 Ca -0.02 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 2hcg s VAL 112 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2hcg s VAL 112 CO -0.03 0.23 0.66 -1.59 0.00 0.00 0.00 175.10 174.37 2hcg s LYS 113 N 1.29 1.63 0.19 2.72 -2.85 -0.51 -1.25 119.74 120.97 2hcg s LYS 113 Ca -0.00 -0.88 -0.27 0.00 -1.00 0.00 0.00 55.97 53.82 2hcg s LYS 113 Cb -0.16 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.11 2hcg s LYS 113 CO -0.06 -0.73 0.84 -0.06 0.10 0.00 0.00 175.35 175.43 2hcg s PHE 114 N -3.88 3.94 -0.39 1.78 0.08 -1.04 -0.94 117.98 117.52 2hcg s PHE 114 Ca 0.09 1.74 0.01 0.00 0.12 0.00 0.00 56.93 58.89 2hcg s PHE 114 Cb -0.04 -2.84 0.11 0.00 -0.57 0.00 0.00 43.02 39.67 2hcg s PHE 114 CO 0.02 0.50 0.14 -1.21 -0.10 0.00 0.00 175.22 174.56 2hcg s GLU 115 N -1.16 1.75 6.89 0.44 0.41 0.25 -4.94 118.70 122.33 2hcg s GLU 115 Ca 0.38 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 2hcg s GLU 115 Cb -0.24 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 2hcg s GLU 115 CO 0.28 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.45 2hcg n GLY 116 N 4.27 2.37 1.15 -1.39 0.00 -1.26 -2.05 105.19 108.28 2hcg n GLY 116 Ca 0.02 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2hcg n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hcg n ASP 117 N 4.96 3.35 -4.73 1.61 10.43 -1.26 -4.90 116.55 126.01 2hcg n ASP 117 Ca 0.00 -2.06 -0.35 0.00 2.57 0.00 0.00 54.79 54.95 2hcg n ASP 117 Cb 0.00 -0.42 -0.08 0.00 1.84 0.00 0.00 41.12 42.46 2hcg n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2hcg s THR 118 N -1.29 5.02 -0.20 -3.53 2.01 -0.87 -4.44 115.64 112.35 2hcg s THR 118 Ca 0.41 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.22 2hcg s THR 118 Cb 0.22 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2hcg s THR 118 CO 0.26 0.53 0.72 -0.22 -0.69 0.00 0.00 174.62 175.23 2hcg s LEU 119 N -0.26 4.14 -0.08 4.42 1.98 -0.37 -0.59 118.68 127.93 2hcg s LEU 119 Ca 0.09 0.97 0.03 0.00 -2.89 0.00 0.00 54.13 52.33 2hcg s LEU 119 Cb -0.12 -3.04 -0.02 0.00 0.66 0.00 0.00 46.19 43.67 2hcg s LEU 119 CO 0.01 -0.35 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.28 2hcg s VAL 120 N 2.13 2.90 -0.28 1.68 1.01 -0.12 -1.25 120.40 126.48 2hcg s VAL 120 Ca 0.33 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2hcg s VAL 120 Cb -0.16 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.14 2hcg s VAL 120 CO 0.11 0.57 -0.06 0.21 0.00 0.00 0.00 175.10 175.92 2hcg s ASN 121 N -0.31 4.52 -0.22 3.32 2.47 -0.28 -1.43 114.94 123.00 2hcg s ASN 121 Ca 0.02 -1.60 -0.06 0.00 0.42 0.00 0.00 52.86 51.64 2hcg s ASN 121 Cb -0.13 -1.56 -0.03 0.00 -1.45 0.00 0.00 41.25 38.08 2hcg s ASN 121 CO 0.03 -0.24 0.04 -0.13 -3.72 0.00 0.00 177.10 173.08 2hcg s ARG 122 N 1.06 3.70 -0.02 0.43 0.52 -0.61 -1.07 118.95 122.95 2hcg s ARG 122 Ca -0.03 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2hcg s ARG 122 Cb -0.20 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.06 2hcg s ARG 122 CO -0.06 -0.03 -0.12 0.42 0.02 0.00 0.00 175.30 175.53 2hcg s ILE 123 N 1.16 0.97 -0.15 1.52 1.01 0.34 -0.88 121.20 125.17 2hcg s ILE 123 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 2hcg s ILE 123 Cb -0.14 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2hcg s ILE 123 CO 0.03 0.29 -0.09 -1.61 0.00 0.00 0.00 174.94 173.55 2hcg s GLU 124 N -0.02 3.48 -0.08 2.79 2.02 -0.07 -1.13 118.70 125.69 2hcg s GLU 124 Ca -0.00 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.40 2hcg s GLU 124 Cb -0.08 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2hcg s GLU 124 CO 0.00 0.19 -0.21 -1.17 0.02 0.00 0.00 175.26 174.10 2hcg s LEU 125 N 0.44 1.97 -0.11 1.80 0.20 0.30 -1.46 118.68 121.82 2hcg s LEU 125 Ca -0.07 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.29 2hcg s LEU 125 Cb -0.15 -1.23 0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2hcg s LEU 125 CO 0.04 0.15 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.37 2hcg s LYS 126 N 0.28 2.04 -0.10 1.98 2.47 0.11 -1.58 119.74 124.94 2hcg s LYS 126 Ca -0.14 -0.48 0.01 0.00 -1.56 0.00 0.00 55.97 53.80 2hcg s LYS 126 Cb -0.16 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.38 2hcg s LYS 126 CO 0.06 -0.12 -0.13 0.20 0.16 0.00 0.00 175.35 175.52 2hcg s GLY 127 N 1.17 1.55 0.09 5.54 0.00 0.83 -0.41 107.32 116.09 2hcg s GLY 127 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2hcg s GLY 127 CO -0.04 -0.37 -0.08 -0.26 0.00 0.00 0.00 173.10 172.35 2hcg s ILE 128 N -0.01 0.73 -1.39 0.90 -4.36 -0.68 -1.34 121.20 115.05 2hcg s ILE 128 Ca -0.03 -1.74 -0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2hcg s ILE 128 Cb -0.14 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.13 2hcg s ILE 128 CO 0.04 -0.73 0.01 0.47 0.24 0.00 0.00 174.94 174.98 2hcg n ASP 129 N 0.32 -4.86 -4.79 4.36 8.00 -1.26 -1.81 116.55 116.51 2hcg n ASP 129 Ca -0.15 -0.02 -0.36 0.00 0.71 0.00 0.00 54.79 54.97 2hcg n ASP 129 Cb 0.59 -3.97 -0.06 0.00 -0.02 0.00 0.00 41.12 37.66 2hcg n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2hcg s PHE 130 N -2.82 3.65 0.13 1.24 0.40 -1.26 -2.76 117.98 116.56 2hcg s PHE 130 Ca 0.01 1.72 -0.28 0.00 -0.60 0.00 0.00 56.93 57.77 2hcg s PHE 130 Cb -0.00 -2.88 -0.07 0.00 0.51 0.00 0.00 43.02 40.58 2hcg s PHE 130 CO 0.01 0.20 0.89 0.15 0.70 0.00 0.00 175.22 177.16 2hcg s LYS 131 N -2.14 4.66 0.26 0.44 1.02 -1.26 -4.91 119.74 117.81 2hcg s LYS 131 Ca 0.50 1.33 -0.02 0.00 0.02 0.00 0.00 55.97 57.80 2hcg s LYS 131 Cb -0.17 -3.34 0.46 0.00 -0.52 0.00 0.00 37.83 34.25 2hcg s LYS 131 CO 0.22 0.34 1.84 1.49 -0.92 0.00 0.00 175.35 178.33 2hcg h GLU 132 N 5.14 0.95 -0.57 1.68 4.81 -1.96 -2.02 114.58 122.60 2hcg h GLU 132 Ca -0.44 -0.06 -0.41 0.00 -0.13 0.00 0.00 59.36 58.32 2hcg h GLU 132 Cb 1.21 -0.22 -0.38 0.00 0.63 0.00 0.00 28.75 29.99 2hcg h GLU 132 CO 0.70 0.63 -0.88 -3.47 -0.73 0.00 0.00 179.01 175.27 2hcg n ASP 133 N -4.62 3.65 -2.54 1.04 4.64 -1.26 -3.80 116.55 113.65 2hcg n ASP 133 Ca 0.16 -3.26 -0.07 0.00 -1.38 0.00 0.00 54.79 50.23 2hcg n ASP 133 Cb 0.28 -0.39 0.05 0.00 -1.04 0.00 0.00 41.12 40.02 2hcg n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2hcg n GLY 134 N -0.67 -1.55 0.24 0.27 0.00 -0.76 -4.64 105.19 98.08 2hcg n GLY 134 Ca 0.31 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.81 2hcg n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hcg h ASN 135 N -0.68 0.00 0.00 1.61 2.35 -1.93 -0.13 115.58 116.80 2hcg h ASN 135 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2hcg h ASN 135 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2hcg h ASN 135 CO 0.07 0.19 -0.03 0.40 -1.65 0.00 0.00 177.43 176.41 2hcg h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -1.72 117.51 121.71 2hcg h ILE 136 Ca -0.00 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 2hcg h ILE 136 Cb 0.56 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 2hcg h ILE 136 CO 0.02 0.00 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.37 2hcg h LEU 137 N -0.35 0.00 -0.43 1.44 3.38 -1.75 -1.39 115.31 116.20 2hcg h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hcg h LEU 137 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2hcg h LEU 137 CO 0.00 0.06 -0.04 0.61 0.09 0.00 0.00 178.44 179.16 2hcg n GLY 138 N 0.03 -0.61 3.67 0.83 0.00 -0.06 -4.87 105.19 104.18 2hcg n GLY 138 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2hcg n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hcg n HIS 139 N -0.55 -1.93 -0.14 1.61 8.25 -0.53 -4.91 115.22 117.03 2hcg n HIS 139 Ca 0.19 0.54 0.07 0.00 -0.26 0.00 0.00 57.72 58.25 2hcg n HIS 139 Cb 0.25 -3.59 0.17 0.00 1.12 0.00 0.00 29.99 27.94 2hcg n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hcg n LYS 140 N -4.13 2.67 -3.54 -0.41 5.02 -0.65 -4.98 118.16 112.13 2hcg n LYS 140 Ca -0.12 -2.07 -0.37 0.00 -2.02 0.00 0.00 58.31 53.73 2hcg n LYS 140 Cb 0.61 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 2hcg n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hcg s LEU 141 N -1.01 4.29 0.70 -0.35 1.43 -1.25 -0.94 118.68 121.55 2hcg s LEU 141 Ca 0.26 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 2hcg s LEU 141 Cb 0.14 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.97 2hcg s LEU 141 CO 0.18 0.15 1.16 -1.61 0.23 0.00 0.00 176.35 176.46 2hcg s GLU 142 N 0.15 2.44 -1.25 1.70 2.02 -0.21 -4.87 118.70 118.68 2hcg s GLU 142 Ca 0.18 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.66 2hcg s GLU 142 Cb -0.14 -1.89 0.17 0.00 0.10 0.00 0.00 34.13 32.37 2hcg s GLU 142 CO 0.06 -1.57 1.67 0.98 0.02 0.00 0.00 175.26 176.41 2hcg n TYR 143 N -2.56 3.95 -3.61 1.61 9.36 -1.26 -4.81 117.16 119.84 2hcg n TYR 143 Ca 0.12 -3.06 -0.07 0.00 3.32 0.00 0.00 57.90 58.21 2hcg n TYR 143 Cb 0.51 -2.08 0.02 0.00 -0.63 0.00 0.00 39.34 37.16 2hcg n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2hcg n ASN 144 N 4.82 -1.68 -3.63 2.98 0.23 -1.26 -4.87 115.26 111.84 2hcg n ASN 144 Ca 0.39 -2.20 -0.05 0.00 -0.53 0.00 0.00 54.58 52.19 2hcg n ASN 144 Cb 0.40 2.81 -0.07 0.00 -2.08 0.00 0.00 39.78 40.84 2hcg n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2hcg s TYR 145 N -3.88 -0.93 0.15 -2.53 5.04 -1.26 -4.87 117.35 109.07 2hcg s TYR 145 Ca 0.12 1.82 -0.16 0.00 -2.44 0.00 0.00 57.07 56.42 2hcg s TYR 145 Cb -0.04 0.56 -0.07 0.00 0.35 0.00 0.00 41.96 42.76 2hcg s TYR 145 CO 0.09 -0.46 0.58 -0.80 -1.34 0.00 0.00 175.55 173.62 2hcg s ASN 146 N 1.68 6.88 0.55 4.32 0.01 -1.26 -4.68 114.94 122.43 2hcg s ASN 146 Ca -0.09 1.15 -0.21 0.00 -0.71 0.00 0.00 52.86 53.00 2hcg s ASN 146 Cb -0.05 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 2hcg s ASN 146 CO -0.18 0.11 1.31 -0.44 -1.51 0.00 0.00 177.10 176.38 2hcg s SER 147 N -1.65 5.32 0.17 -1.22 0.01 -1.26 -4.81 113.70 110.26 2hcg s SER 147 Ca 0.38 2.65 -0.16 0.00 1.31 0.00 0.00 55.95 60.13 2hcg s SER 147 Cb -0.16 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.47 2hcg s SER 147 CO 0.19 -1.53 0.45 -1.38 0.41 0.00 0.00 173.24 171.38 2hcg s HIS 148 N -1.37 -0.05 -0.12 2.43 -3.43 -0.73 -5.01 115.29 107.02 2hcg s HIS 148 Ca 0.72 -0.30 -0.02 0.00 -0.80 0.00 0.00 55.06 54.66 2hcg s HIS 148 Cb -0.37 0.27 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 2hcg s HIS 148 CO 0.44 -0.82 -0.02 -0.80 -2.00 0.00 0.00 174.74 171.53 2hcg s ASN 149 N -2.87 4.97 -0.40 7.38 0.01 -1.26 -0.88 114.94 121.89 2hcg s ASN 149 Ca 0.09 -0.00 -0.16 0.00 -0.71 0.00 0.00 52.86 52.08 2hcg s ASN 149 Cb 0.01 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 40.11 2hcg s ASN 149 CO -0.05 0.28 0.35 -0.69 -1.51 0.00 0.00 177.10 175.48 2hcg s VAL 150 N -0.30 5.19 -0.30 1.60 1.01 0.11 -4.65 120.40 123.06 2hcg s VAL 150 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2hcg s VAL 150 Cb -0.12 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2hcg s VAL 150 CO 0.02 -0.29 0.58 -0.31 0.00 0.00 0.00 175.10 175.10 2hcg s TYR 151 N 1.89 3.23 -0.08 5.22 2.02 -0.91 -1.06 117.35 127.66 2hcg s TYR 151 Ca 0.08 0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2hcg s TYR 151 Cb -0.18 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 2hcg s TYR 151 CO 0.12 -0.42 0.06 0.42 -1.57 0.00 0.00 175.55 174.16 2hcg s ILE 152 N 2.49 4.79 0.04 2.71 1.01 -0.06 -1.43 121.20 130.74 2hcg s ILE 152 Ca 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2hcg s ILE 152 Cb -0.15 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2hcg s ILE 152 CO 0.11 0.55 -0.05 0.28 0.00 0.00 0.00 174.94 175.84 2hcg s THR 153 N -1.00 0.31 0.46 2.92 -1.32 -0.38 -2.42 115.64 114.21 2hcg s THR 153 Ca 0.16 -1.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.19 2hcg s THR 153 Cb -0.12 -0.75 -0.08 0.00 -1.51 0.00 0.00 72.50 70.04 2hcg s THR 153 CO 0.05 -0.60 1.07 0.00 -2.21 0.00 0.00 174.62 172.93 2hcg s ALA 154 N -2.13 2.93 -0.63 11.08 0.00 -1.24 -0.94 121.76 130.84 2hcg s ALA 154 Ca -0.07 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.64 2hcg s ALA 154 Cb -0.05 -3.29 0.16 0.00 0.00 0.00 0.00 23.12 19.94 2hcg s ALA 154 CO -0.03 -0.37 0.42 0.34 0.00 0.00 0.00 175.76 176.13 2hcg s ASP 155 N -1.74 4.28 0.42 0.00 2.15 0.28 -4.70 116.67 117.35 2hcg s ASP 155 Ca 0.64 -3.56 0.18 0.00 0.43 0.00 0.00 52.55 50.25 2hcg s ASP 155 Cb -0.20 -1.46 0.92 0.00 -0.30 0.00 0.00 42.92 41.88 2hcg s ASP 155 CO 0.25 -0.13 1.88 0.11 -0.17 0.00 0.00 175.17 177.11 2hcg h LYS 156 N 5.68 0.00 -0.41 4.34 1.57 -1.96 -1.38 116.57 124.40 2hcg h LYS 156 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2hcg h LYS 156 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2hcg h LYS 156 CO 0.66 0.29 0.17 1.96 -0.57 0.00 0.00 179.45 181.96 2hcg h GLN 157 N 0.00 0.58 -0.59 3.15 4.20 -1.93 -1.15 115.11 119.37 2hcg h GLN 157 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2hcg h GLN 157 Cb 0.62 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2hcg h GLN 157 CO 0.04 0.48 0.00 1.63 -0.67 0.00 0.00 178.83 180.31 2hcg n LYS 158 N -4.38 2.49 -3.85 1.46 5.02 -0.79 -4.94 118.16 113.16 2hcg n LYS 158 Ca 0.03 -2.30 -0.29 0.00 -2.02 0.00 0.00 58.31 53.73 2hcg n LYS 158 Cb 0.14 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 2hcg n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hcg n ASN 159 N 1.39 -5.05 0.00 4.39 5.15 -0.44 -4.67 115.26 116.04 2hcg n ASN 159 Ca 0.21 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 2hcg n ASN 159 Cb 0.55 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.68 2hcg n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hcg n GLY 160 N -1.76 3.88 3.16 8.20 0.00 -0.59 -4.37 105.19 113.71 2hcg n GLY 160 Ca 0.03 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2hcg n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hcg s ILE 161 N -0.41 0.22 0.16 -0.61 -4.36 -0.66 -0.56 121.20 114.99 2hcg s ILE 161 Ca 0.00 -1.91 0.08 0.00 -0.26 0.00 0.00 60.65 58.56 2hcg s ILE 161 Cb 0.00 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 2hcg s ILE 161 CO 0.00 -0.54 -0.16 -0.54 0.24 0.00 0.00 174.94 173.93 2hcg s LYS 162 N -4.01 1.21 0.03 0.37 1.02 -0.12 -1.09 119.74 117.15 2hcg s LYS 162 Ca 0.22 -1.39 -0.03 0.00 0.02 0.00 0.00 55.97 54.79 2hcg s LYS 162 Cb 0.07 -1.16 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 2hcg s LYS 162 CO 0.00 0.22 0.03 0.00 -0.92 0.00 0.00 175.35 174.69 2hcg s ALA 163 N -2.26 0.07 -0.01 5.17 0.00 -0.04 -1.25 121.76 123.44 2hcg s ALA 163 Ca 0.15 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2hcg s ALA 163 Cb -0.04 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2hcg s ALA 163 CO 0.05 -0.24 -0.01 -0.80 0.00 0.00 0.00 175.76 174.76 2hcg s ASN 164 N -1.85 0.23 0.06 0.00 0.01 -0.51 -0.92 114.94 111.95 2hcg s ASN 164 Ca -0.09 -0.03 -0.27 0.00 -0.71 0.00 0.00 52.86 51.75 2hcg s ASN 164 Cb -0.05 -0.05 0.09 0.00 0.41 0.00 0.00 41.25 41.65 2hcg s ASN 164 CO -0.03 0.00 0.97 0.72 -1.51 0.00 0.00 177.10 177.25 2hcg s PHE 165 N 0.14 -0.21 -0.13 2.20 -0.12 -0.83 -2.14 117.98 116.88 2hcg s PHE 165 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 2hcg s PHE 165 Cb -0.03 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2hcg s PHE 165 CO -0.00 -0.64 -0.19 0.15 -0.05 0.00 0.00 175.22 174.48 2hcg s LYS 166 N -3.11 3.15 -0.15 1.99 1.02 -1.26 -0.41 119.74 120.98 2hcg s LYS 166 Ca 0.09 -0.80 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 2hcg s LYS 166 Cb -0.01 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 2hcg s LYS 166 CO -0.03 0.11 0.10 0.42 -0.92 0.00 0.00 175.35 175.02 2hcg s ILE 167 N 0.56 5.16 -0.38 2.17 -1.09 -0.43 -4.87 121.20 122.32 2hcg s ILE 167 Ca -0.12 0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2hcg s ILE 167 Cb -0.16 -3.28 0.07 0.00 -1.58 0.00 0.00 42.46 37.51 2hcg s ILE 167 CO 0.04 0.54 0.17 -0.13 -1.23 0.00 0.00 174.94 174.33 2hcg s ARG 168 N -0.39 2.44 -0.13 2.79 0.52 -1.26 -0.63 118.95 122.28 2hcg s ARG 168 Ca 0.11 -1.46 -0.19 0.00 -0.52 0.00 0.00 55.73 53.67 2hcg s ARG 168 Cb -0.12 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 2hcg s ARG 168 CO 0.02 -0.87 0.52 -1.01 0.02 0.00 0.00 175.30 173.98 2hcg s HIS 169 N 1.32 3.48 0.04 -0.53 3.76 0.16 -4.50 115.29 119.03 2hcg s HIS 169 Ca 0.02 0.91 -0.30 0.00 -0.15 0.00 0.00 55.06 55.54 2hcg s HIS 169 Cb -0.22 -2.62 -0.06 0.00 1.11 0.00 0.00 32.58 30.79 2hcg s HIS 169 CO 0.00 0.08 1.36 -0.80 -0.85 0.00 0.00 174.74 174.53 2hcg s ASN 170 N 0.79 6.89 0.23 1.40 0.01 -1.26 -0.84 114.94 122.16 2hcg s ASN 170 Ca 0.27 2.14 -0.13 0.00 -0.71 0.00 0.00 52.86 54.43 2hcg s ASN 170 Cb -0.16 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 38.86 2hcg s ASN 170 CO 0.11 -0.66 0.61 -0.63 -1.51 0.00 0.00 177.10 175.02 2hcg s ILE 171 N 1.86 4.82 -1.04 0.60 1.01 -0.23 -1.04 121.20 127.18 2hcg s ILE 171 Ca 0.63 0.75 0.06 0.00 0.00 0.00 0.00 60.65 62.09 2hcg s ILE 171 Cb -0.32 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.53 2hcg s ILE 171 CO 0.28 0.01 1.16 -1.84 0.00 0.00 0.00 174.94 174.55 2hcg n GLU 172 N 0.13 0.01 -0.29 2.79 0.28 -0.12 -1.60 120.64 121.84 2hcg n GLU 172 Ca -0.01 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.50 2hcg n GLU 172 Cb 0.52 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.17 2hcg n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2hcg n ASP 173 N -1.48 3.64 0.00 -1.84 5.75 -1.26 -4.94 116.55 116.42 2hcg n ASP 173 Ca 0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2hcg n ASP 173 Cb 0.06 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 2hcg n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hcg n GLY 174 N 1.58 0.45 0.56 6.12 0.00 -0.63 -5.08 105.19 108.20 2hcg n GLY 174 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2hcg n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hcg n SER 175 N 0.00 0.14 -3.98 1.61 2.88 -1.25 -4.87 113.62 108.16 2hcg n SER 175 Ca 0.00 -1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 56.20 2hcg n SER 175 Cb 0.00 -0.11 -0.16 0.00 -0.75 0.00 0.00 64.21 63.19 2hcg n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2hcg s VAL 176 N -0.60 0.73 -0.41 2.46 1.01 -1.26 -1.07 120.40 121.27 2hcg s VAL 176 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 2hcg s VAL 176 Cb -0.00 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.74 2hcg s VAL 176 CO 0.07 0.24 0.28 -1.58 0.00 0.00 0.00 175.10 174.10 2hcg s GLN 177 N 0.36 2.89 0.23 2.72 2.00 -0.02 -4.90 119.66 122.93 2hcg s GLN 177 Ca -0.06 -1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 51.88 2hcg s GLN 177 Cb -0.10 -3.90 -0.09 0.00 0.80 0.00 0.00 33.01 29.73 2hcg s GLN 177 CO 0.01 -0.79 1.02 -1.17 -0.50 0.00 0.00 175.29 173.86 2hcg s LEU 178 N 1.61 4.58 -0.36 3.68 2.96 -1.26 -0.66 118.68 129.22 2hcg s LEU 178 Ca 0.04 2.06 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 2hcg s LEU 178 Cb -0.20 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 42.99 2hcg s LEU 178 CO 0.08 -0.02 0.15 0.00 -1.32 0.00 0.00 176.35 175.23 2hcg s ALA 179 N -0.91 1.82 0.14 5.97 0.00 0.19 -1.36 121.76 127.62 2hcg s ALA 179 Ca 0.44 -2.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.02 2hcg s ALA 179 Cb -0.28 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 2hcg s ALA 179 CO 0.35 -1.83 1.30 -0.51 0.00 0.00 0.00 175.76 175.07 2hcg s ASP 180 N 1.09 6.94 -0.16 0.00 1.01 -0.36 -1.31 116.67 123.88 2hcg s ASP 180 Ca 0.13 2.26 -0.01 0.00 0.71 0.00 0.00 52.55 55.64 2hcg s ASP 180 Cb -0.20 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 2hcg s ASP 180 CO -0.14 -0.54 -0.10 -1.00 0.21 0.00 0.00 175.17 173.61 2hcg s HIS 181 N 0.65 2.87 -0.10 4.23 3.76 0.46 -0.59 115.29 126.58 2hcg s HIS 181 Ca 0.59 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2hcg s HIS 181 Cb -0.34 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.41 2hcg s HIS 181 CO 0.33 -0.33 -0.23 -0.47 -0.85 0.00 0.00 174.74 173.20 2hcg s TYR 182 N 0.73 2.57 0.01 1.40 5.04 -0.57 -1.97 117.35 124.56 2hcg s TYR 182 Ca -0.05 -0.94 0.02 0.00 -2.44 0.00 0.00 57.07 53.67 2hcg s TYR 182 Cb -0.15 -1.71 -0.01 0.00 0.35 0.00 0.00 41.96 40.44 2hcg s TYR 182 CO 0.02 -0.36 -0.06 -1.14 -1.34 0.00 0.00 175.55 172.67 2hcg s GLN 183 N 0.25 0.49 -0.00 4.97 0.74 -0.10 -1.35 119.66 124.66 2hcg s GLN 183 Ca -0.15 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 54.89 2hcg s GLN 183 Cb -0.17 -0.41 -0.00 0.00 1.10 0.00 0.00 33.01 33.53 2hcg s GLN 183 CO 0.08 0.10 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.23 2hcg s GLN 184 N -0.58 0.37 -0.03 1.67 -0.21 -0.14 -0.86 119.66 119.89 2hcg s GLN 184 Ca -0.01 -0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.24 2hcg s GLN 184 Cb -0.05 -0.37 0.00 0.00 1.00 0.00 0.00 33.01 33.60 2hcg s GLN 184 CO 0.00 0.09 -0.10 -0.80 -2.12 0.00 0.00 175.29 172.36 2hcg s ASN 185 N -0.06 1.31 0.00 5.90 -0.87 -0.25 -0.74 114.94 120.23 2hcg s ASN 185 Ca 0.01 -0.20 0.01 0.00 -1.57 0.00 0.00 52.86 51.11 2hcg s ASN 185 Cb -0.02 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.25 40.84 2hcg s ASN 185 CO -0.00 0.07 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.67 2hcg s THR 186 N 0.20 0.28 0.49 1.60 2.01 -0.55 -1.65 115.64 118.02 2hcg s THR 186 Ca -0.04 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 2hcg s THR 186 Cb -0.09 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.08 2hcg s THR 186 CO 0.01 -0.03 1.10 -2.16 -0.69 0.00 0.00 174.62 172.85 2hcg s PRO 187 N -0.37 3.70 -0.04 4.92 0.04 -1.26 -0.43 135.00 141.56 2hcg s PRO 187 Ca -0.01 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 2hcg s PRO 187 Cb -0.03 -2.20 -0.32 0.00 0.04 0.00 0.00 34.50 32.00 2hcg s PRO 187 CO -0.00 -0.55 0.77 0.82 0.04 0.00 0.00 177.00 178.07 2hcg h ILE 188 N 1.60 1.14 -3.55 0.56 2.04 -1.23 -3.45 117.51 114.62 2hcg h ILE 188 Ca -0.49 -2.54 -0.45 0.00 1.00 0.00 0.00 64.86 62.38 2hcg h ILE 188 Cb 1.24 2.90 0.16 0.00 -0.74 0.00 0.00 36.82 40.38 2hcg h ILE 188 CO 0.59 0.79 0.37 -0.83 0.00 0.00 0.00 178.15 179.07 2hcg s GLY 189 N -4.84 1.80 0.00 5.37 0.00 -1.26 -5.01 107.32 103.39 2hcg s GLY 189 Ca -0.15 -1.40 0.19 0.00 0.00 0.00 0.00 44.72 43.36 2hcg s GLY 189 CO 0.86 -0.62 1.10 2.09 0.00 0.00 0.00 173.10 176.53 2hcg n ASP 190 N -3.66 2.58 -4.75 1.64 3.85 -1.26 -4.99 116.55 109.96 2hcg n ASP 190 Ca 0.16 -1.79 -0.30 0.00 -0.71 0.00 0.00 54.79 52.15 2hcg n ASP 190 Cb 0.59 -0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.47 2hcg n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2hcg s GLY 191 N -1.57 1.63 0.47 6.12 0.00 -1.26 -4.97 107.32 107.74 2hcg s GLY 191 Ca 0.22 -0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.69 2hcg s GLY 191 CO 0.24 0.41 1.17 2.56 0.00 0.00 0.00 173.10 177.48 2hcg s PRO 192 N -4.99 3.71 0.34 2.90 0.04 -1.26 -5.04 135.00 130.70 2hcg s PRO 192 Ca 0.62 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.53 2hcg s PRO 192 Cb -0.17 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 2hcg s PRO 192 CO 0.56 -0.59 -0.07 0.14 0.04 0.00 0.00 177.00 177.08 2hcg s VAL 193 N -1.55 2.03 -0.12 -0.36 -7.23 -1.26 -4.83 120.40 107.07 2hcg s VAL 193 Ca 0.64 -2.16 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 2hcg s VAL 193 Cb -0.29 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 2hcg s VAL 193 CO 0.35 -0.20 0.58 -0.76 -0.31 0.00 0.00 175.10 174.76 2hcg s LEU 194 N -3.58 4.25 -0.35 1.32 1.43 -1.26 -5.04 118.68 115.45 2hcg s LEU 194 Ca 0.32 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2hcg s LEU 194 Cb 0.04 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.44 2hcg s LEU 194 CO 0.15 -0.10 0.16 -0.76 0.23 0.00 0.00 176.35 176.03 2hcg s LEU 195 N 1.01 4.47 0.45 1.79 1.43 -1.26 -4.03 118.68 122.53 2hcg s LEU 195 Ca 0.30 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 2hcg s LEU 195 Cb -0.16 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 2hcg s LEU 195 CO 0.13 -0.34 0.85 -2.16 0.23 0.00 0.00 176.35 175.06 2hcg s PRO 196 N 1.50 3.84 0.88 1.29 0.04 -1.26 -4.94 135.00 136.34 2hcg s PRO 196 Ca 0.01 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 2hcg s PRO 196 Cb -0.19 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.18 2hcg s PRO 196 CO 0.05 -0.12 1.10 -0.51 0.04 0.00 0.00 177.00 177.55 2hcg s ASP 197 N -3.12 3.48 0.29 6.66 -0.00 -1.26 -3.60 116.67 119.11 2hcg s ASP 197 Ca 0.54 1.74 -0.30 0.00 -0.00 0.00 0.00 52.55 54.53 2hcg s ASP 197 Cb -0.10 -2.38 -0.12 0.00 -0.00 0.00 0.00 42.92 40.32 2hcg s ASP 197 CO 0.31 -2.67 1.47 0.59 -0.00 0.00 0.00 175.17 174.87 2hcg n ASN 198 N -3.93 3.28 -2.64 0.27 3.02 -1.26 -4.80 115.26 109.19 2hcg n ASN 198 Ca 0.08 1.16 -0.04 0.00 -0.03 0.00 0.00 54.58 55.75 2hcg n ASN 198 Cb 0.54 -1.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.21 2hcg n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hcg n HIS 199 N 1.66 -1.53 -4.10 3.10 1.44 -1.01 -4.72 115.22 110.06 2hcg n HIS 199 Ca 0.09 -1.17 -0.09 0.00 -2.01 0.00 0.00 57.72 54.54 2hcg n HIS 199 Cb 0.35 0.58 -0.10 0.00 0.12 0.00 0.00 29.99 30.94 2hcg n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2hcg s TYR 200 N -3.23 0.69 -0.26 -1.40 -0.85 -0.57 -0.89 117.35 110.85 2hcg s TYR 200 Ca 0.16 -1.11 -0.07 0.00 -0.52 0.00 0.00 57.07 55.53 2hcg s TYR 200 Cb -0.03 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.90 2hcg s TYR 200 CO 0.06 -0.50 0.06 -0.51 -1.52 0.00 0.00 175.55 173.14 2hcg s LEU 201 N -3.00 3.47 -0.29 -3.49 1.43 -0.23 -0.66 118.68 115.92 2hcg s LEU 201 Ca 0.18 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 2hcg s LEU 201 Cb 0.07 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 2hcg s LEU 201 CO -0.02 -0.07 0.77 -0.55 0.23 0.00 0.00 176.35 176.70 2hcg s SER 202 N 1.57 6.68 -0.11 2.29 0.15 0.33 -0.71 113.70 123.90 2hcg s SER 202 Ca 0.05 0.74 0.03 0.00 0.70 0.00 0.00 55.95 57.47 2hcg s SER 202 Cb -0.15 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2hcg s SER 202 CO 0.02 -0.55 -0.22 0.42 1.20 0.00 0.00 173.24 174.11 2hcg s THR 203 N 2.86 2.27 -0.08 6.45 -4.23 -0.06 -1.16 115.64 121.69 2hcg s THR 203 Ca 0.32 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2hcg s THR 203 Cb -0.15 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2hcg s THR 203 CO 0.11 0.55 -0.16 -1.10 -0.54 0.00 0.00 174.62 173.48 2hcg s GLN 204 N 0.36 2.16 -0.04 3.99 1.11 -0.15 -1.77 119.66 125.32 2hcg s GLN 204 Ca -0.17 -0.57 0.02 0.00 0.01 0.00 0.00 55.36 54.66 2hcg s GLN 204 Cb -0.17 -1.72 0.01 0.00 -1.01 0.00 0.00 33.01 30.11 2hcg s GLN 204 CO 0.08 0.06 -0.08 -1.12 0.01 0.00 0.00 175.29 174.24 2hcg s SER 205 N 0.61 1.23 -0.11 5.90 0.01 -1.26 -1.05 113.70 119.03 2hcg s SER 205 Ca -0.15 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2hcg s SER 205 Cb -0.16 -0.44 0.01 0.00 0.21 0.00 0.00 66.02 65.64 2hcg s SER 205 CO 0.05 0.03 -0.17 0.00 0.41 0.00 0.00 173.24 173.55 2hcg s ALA 206 N 0.44 1.81 -0.08 1.44 0.00 0.39 -4.55 121.76 121.21 2hcg s ALA 206 Ca -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2hcg s ALA 206 Cb -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2hcg s ALA 206 CO 0.01 0.03 -0.00 -0.51 0.00 0.00 0.00 175.76 175.29 2hcg s LEU 207 N 0.79 3.56 0.00 0.00 1.43 -1.26 -1.54 118.68 121.65 2hcg s LEU 207 Ca -0.10 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 2hcg s LEU 207 Cb -0.16 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2hcg s LEU 207 CO 0.01 0.38 0.47 -1.54 0.23 0.00 0.00 176.35 175.90 2hcg n SER 208 N 2.13 -1.32 -4.27 2.29 3.41 0.23 -4.93 113.62 111.15 2hcg n SER 208 Ca -0.19 -2.48 -0.25 0.00 -0.26 0.00 0.00 58.87 55.69 2hcg n SER 208 Cb 0.54 2.37 -0.13 0.00 -0.26 0.00 0.00 64.21 66.72 2hcg n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hcg s LYS 209 N -2.50 1.25 -0.31 4.33 -0.14 -1.26 -1.26 119.74 119.85 2hcg s LYS 209 Ca 0.21 -1.07 -0.24 0.00 -1.36 0.00 0.00 55.97 53.51 2hcg s LYS 209 Cb -0.02 -1.46 0.00 0.00 -1.68 0.00 0.00 37.83 34.68 2hcg s LYS 209 CO 0.15 0.35 0.81 0.34 -0.76 0.00 0.00 175.35 176.25 2hcg s ASP 210 N -1.59 6.68 0.20 2.83 -1.08 -1.26 -4.93 116.67 117.51 2hcg s ASP 210 Ca 0.07 0.68 0.18 0.00 -0.52 0.00 0.00 52.55 52.96 2hcg s ASP 210 Cb -0.09 -2.42 0.84 0.00 -1.46 0.00 0.00 42.92 39.79 2hcg s ASP 210 CO 0.03 -0.64 1.55 -0.81 0.52 0.00 0.00 175.17 175.82 2hcg n PRO 211 N 6.27 0.12 -0.19 4.34 -0.04 -1.26 -1.86 135.00 142.38 2hcg n PRO 211 Ca 0.04 0.48 0.09 0.00 -0.04 0.00 0.00 63.50 64.08 2hcg n PRO 211 Cb 0.48 -1.79 0.19 0.00 -0.04 0.00 0.00 33.50 32.35 2hcg n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hcg n ASN 212 N -2.02 3.21 -4.55 3.54 4.13 -1.26 -4.94 115.26 113.36 2hcg n ASN 212 Ca 0.01 -1.92 -0.37 0.00 1.68 0.00 0.00 54.58 53.97 2hcg n ASN 212 Cb 0.12 -0.25 -0.11 0.00 -1.54 0.00 0.00 39.78 38.00 2hcg n ASN 212 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2hcg s GLU 213 N -1.21 3.86 0.08 3.52 2.56 -0.77 -4.96 118.70 121.79 2hcg s GLU 213 Ca 0.33 -0.37 0.23 0.00 0.00 0.00 0.00 54.97 55.16 2hcg s GLU 213 Cb 0.19 -3.51 -0.07 0.00 2.00 0.00 0.00 34.13 32.74 2hcg s GLU 213 CO 0.26 -0.13 0.89 1.63 -0.56 0.00 0.00 175.26 177.35 2hcg n LYS 214 N 4.84 0.50 -1.59 4.30 5.02 -1.26 -4.89 118.16 125.08 2hcg n LYS 214 Ca -0.15 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.82 2hcg n LYS 214 Cb 0.52 -1.66 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 2hcg n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2hcg s ARG 215 N -3.34 2.84 0.03 1.97 0.52 -1.26 -4.97 118.95 114.74 2hcg s ARG 215 Ca -0.01 1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 2hcg s ARG 215 Cb 0.13 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 2hcg s ARG 215 CO 0.83 -1.18 1.38 0.34 0.02 0.00 0.00 175.30 176.69 2hcg s ASP 216 N -3.49 6.86 0.28 0.23 -1.08 -1.26 -4.95 116.67 113.26 2hcg s ASP 216 Ca 0.60 2.15 -0.19 0.00 -0.52 0.00 0.00 52.55 54.59 2hcg s ASP 216 Cb -0.15 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2hcg s ASP 216 CO 0.52 -0.68 0.68 -1.38 0.52 0.00 0.00 175.17 174.82 2hcg s HIS 217 N 2.00 -0.08 -0.07 -5.34 -3.43 -1.26 -1.00 115.29 106.11 2hcg s HIS 217 Ca 0.64 -0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 54.50 2hcg s HIS 217 Cb -0.32 0.62 0.04 0.00 -1.43 0.00 0.00 32.58 31.49 2hcg s HIS 217 CO 0.28 -1.21 0.15 1.41 -2.00 0.00 0.00 174.74 173.37 2hcg s MET 218 N -3.88 0.08 -0.19 -0.38 1.75 0.21 -4.96 119.30 111.93 2hcg s MET 218 Ca 0.13 0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 54.86 2hcg s MET 218 Cb -0.05 -0.20 -0.05 0.00 2.84 0.00 0.00 34.83 37.37 2hcg s MET 218 CO 0.08 -0.20 0.28 0.08 -0.65 0.00 0.00 175.02 174.61 2hcg s VAL 219 N 1.47 5.29 -0.09 10.11 1.01 -0.39 -0.44 120.40 137.37 2hcg s VAL 219 Ca -0.06 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2hcg s VAL 219 Cb -0.12 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2hcg s VAL 219 CO -0.06 0.34 -0.15 -0.22 0.00 0.00 0.00 175.10 175.01 2hcg s LEU 220 N 0.84 1.72 -0.18 3.92 2.96 0.08 -0.60 118.68 127.42 2hcg s LEU 220 Ca 0.15 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2hcg s LEU 220 Cb -0.13 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 2hcg s LEU 220 CO 0.05 0.04 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.80 2hcg s LEU 221 N 0.76 2.72 -0.00 -0.68 2.96 -0.59 -1.67 118.68 122.18 2hcg s LEU 221 Ca -0.12 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2hcg s LEU 221 Cb -0.16 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 2hcg s LEU 221 CO 0.02 0.06 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.39 2hcg s GLU 222 N 1.01 0.19 -0.09 1.98 2.12 -0.41 -0.46 118.70 123.03 2hcg s GLU 222 Ca -0.01 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.26 2hcg s GLU 222 Cb -0.15 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.07 2hcg s GLU 222 CO -0.01 0.04 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.47 2hcg s PHE 223 N -0.12 2.56 -0.09 5.30 0.40 -0.22 -0.78 117.98 125.04 2hcg s PHE 223 Ca 0.00 -0.84 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 2hcg s PHE 223 Cb -0.01 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.85 2hcg s PHE 223 CO -0.00 -0.30 -0.04 0.08 0.70 0.00 0.00 175.22 175.67 2hcg s VAL 224 N 0.13 0.67 -0.07 -0.44 1.01 0.12 -0.97 120.40 120.84 2hcg s VAL 224 Ca -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2hcg s VAL 224 Cb -0.16 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2hcg s VAL 224 CO 0.06 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 174.47 2hcg s THR 225 N 1.74 1.01 0.40 3.92 2.01 -0.31 -0.59 115.64 123.81 2hcg s THR 225 Ca 0.03 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 2hcg s THR 225 Cb -0.13 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 2hcg s THR 225 CO -0.06 0.33 1.03 0.00 -0.69 0.00 0.00 174.62 175.24 2hcg s ALA 226 N 0.86 3.09 0.36 7.40 0.00 0.30 -0.51 121.76 133.26 2hcg s ALA 226 Ca -0.11 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 2hcg s ALA 226 Cb -0.15 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2hcg s ALA 226 CO 0.01 -0.14 0.67 0.00 0.00 0.00 0.00 175.76 176.31 2hcg s ALA 227 N -1.70 -0.30 0.00 0.00 0.00 0.16 -4.58 121.76 115.34 2hcg s ALA 227 Ca 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2hcg s ALA 227 Cb -0.20 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2hcg s ALA 227 CO 0.26 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2hcg n GLY 228 N -0.53 0.75 3.38 0.00 0.00 -1.26 -1.51 105.19 106.02 2hcg n GLY 228 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2hcg n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hcg s ILE 229 N -2.15 2.82 0.19 -0.61 -1.09 -1.26 -4.76 121.20 114.34 2hcg s ILE 229 Ca 0.00 -0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 57.34 2hcg s ILE 229 Cb 0.00 -2.13 -0.09 0.00 -1.58 0.00 0.00 42.46 38.67 2hcg s ILE 229 CO 0.00 0.56 1.31 -0.89 -1.23 0.00 0.00 174.94 174.69 2hcg s THR 230 N -0.10 3.23 0.17 2.92 2.01 -1.26 -5.04 115.64 117.57 2hcg s THR 230 Ca -0.03 1.00 0.03 0.00 0.31 0.00 0.00 61.69 63.00 2hcg s THR 230 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2hcg s THR 230 CO 0.04 0.14 -0.03 -1.38 -0.69 0.00 0.00 174.62 172.70 2hcg s HIS 231 N 0.19 1.26 -0.22 4.92 -3.43 -1.26 -5.06 115.29 111.69 2hcg s HIS 231 Ca 0.57 -0.93 0.14 0.00 -0.80 0.00 0.00 55.06 54.04 2hcg s HIS 231 Cb -0.36 -0.70 0.52 0.00 -1.43 0.00 0.00 32.58 30.60 2hcg s HIS 231 CO 0.38 -0.11 1.44 0.41 -2.00 0.00 0.00 174.74 174.85 2hcg n GLY 232 N -0.25 4.37 0.20 -1.38 0.00 -1.26 -4.68 105.19 102.20 2hcg n GLY 232 Ca -0.08 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.90 2hcg n GLY 232 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2hcg h MET 233 N 1.43 0.00 -0.73 1.61 -1.53 -2.03 -2.97 114.93 110.72 2hcg h MET 233 Ca 0.09 0.00 0.18 0.00 -3.44 0.00 0.00 59.70 56.53 2hcg h MET 233 Cb 1.53 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.54 2hcg h MET 233 CO 0.29 0.33 0.51 -0.44 0.14 0.00 0.00 176.91 177.74 2hcg h ASP 234 N 0.00 0.18 0.00 1.39 3.32 -1.96 0.17 116.42 119.52 2hcg h ASP 234 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2hcg h ASP 234 Cb 0.78 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2hcg h ASP 234 CO 0.04 0.09 0.03 -0.33 -1.72 0.00 0.00 179.24 177.35 2hcg h GLU 235 N 0.19 0.00 0.00 3.56 5.08 -1.91 -1.85 114.58 119.65 2hcg h GLU 235 Ca 0.36 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 2hcg h GLU 235 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2hcg h GLU 235 CO -0.07 0.00 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.69 2hcg h LEU 236 N 0.00 0.00 -1.59 1.33 3.38 -0.87 -3.54 115.31 114.03 2hcg h LEU 236 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hcg h LEU 236 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hcg h LEU 236 CO 0.00 0.18 0.00 -1.22 0.09 0.00 0.00 178.44 177.49