#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h6r s LYS 3 N 0.00 0.48 5.20 1.43 2.47 -1.26 -4.57 119.74 123.48 1h6r s LYS 3 Ca 0.00 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1h6r s LYS 3 Cb 0.00 -0.41 0.00 0.00 -1.46 0.00 0.00 37.83 35.96 1h6r s LYS 3 CO 0.00 0.10 0.00 0.41 0.16 0.00 0.00 175.35 176.02 1h6r n GLY 4 N 2.54 2.07 0.32 5.54 0.00 0.08 -3.28 105.19 112.46 1h6r n GLY 4 Ca -0.16 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.50 1h6r n GLY 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1h6r h GLU 5 N 0.00 0.00 -0.09 1.61 4.11 -1.90 -1.56 114.58 116.75 1h6r h GLU 5 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1h6r h GLU 5 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1h6r h GLU 5 CO 0.00 0.00 0.08 1.49 0.07 0.00 0.00 179.01 180.65 1h6r h GLU 6 N 0.00 0.00 0.00 1.06 4.57 -1.93 -0.32 114.58 117.96 1h6r h GLU 6 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1h6r h GLU 6 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1h6r h GLU 6 CO -0.00 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.11 1h6r n LEU 7 N -4.05 0.19 -0.47 1.64 4.77 -0.59 -3.18 117.00 115.32 1h6r n LEU 7 Ca -0.01 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 1h6r n LEU 7 Cb 0.19 -0.52 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1h6r n LEU 7 CO 0.30 -0.33 0.61 0.49 -1.33 0.00 0.00 177.39 177.13 1h6r n PHE 8 N -1.71 0.40 0.31 -1.77 3.01 -0.13 -4.70 117.46 112.86 1h6r n PHE 8 Ca 0.03 -0.63 0.16 0.00 1.01 0.00 0.00 57.45 58.03 1h6r n PHE 8 Cb 0.19 -0.10 0.66 0.00 -0.01 0.00 0.00 39.48 40.22 1h6r n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1h6r h THR 9 N 1.27 0.00 -2.63 4.37 1.35 -1.60 -3.38 112.91 112.29 1h6r h THR 9 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1h6r h THR 9 Cb 0.84 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1h6r h THR 9 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1h6r n GLY 10 N -0.02 7.38 3.68 5.82 0.00 -1.26 -4.83 105.19 115.96 1h6r n GLY 10 Ca 0.01 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1h6r n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h6r s VAL 11 N 0.95 4.92 -0.18 1.61 1.01 -1.26 -4.44 120.40 123.01 1h6r s VAL 11 Ca 0.00 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 1h6r s VAL 11 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1h6r s VAL 11 CO 0.00 0.08 -0.09 -0.69 0.00 0.00 0.00 175.10 174.40 1h6r s VAL 12 N 1.82 3.16 0.44 2.92 1.01 0.09 -4.94 120.40 124.90 1h6r s VAL 12 Ca 0.38 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 1h6r s VAL 12 Cb -0.17 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 1h6r s VAL 12 CO 0.14 0.48 1.27 -2.84 0.00 0.00 0.00 175.10 174.15 1h6r s PRO 13 N 0.95 3.77 -0.02 2.72 0.02 -1.26 -0.70 135.00 140.48 1h6r s PRO 13 Ca -0.01 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.12 1h6r s PRO 13 Cb -0.15 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.79 1h6r s PRO 13 CO -0.00 -0.62 -0.22 0.42 -0.33 0.00 0.00 177.00 176.25 1h6r s ILE 14 N -1.35 1.72 -0.09 2.83 1.01 0.04 -1.19 121.20 124.16 1h6r s ILE 14 Ca 0.61 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1h6r s ILE 14 Cb -0.35 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1h6r s ILE 14 CO 0.44 0.49 -0.21 -0.22 0.00 0.00 0.00 174.94 175.43 1h6r s LEU 15 N -0.40 1.99 -0.05 2.97 2.96 -0.38 -1.90 118.68 123.86 1h6r s LEU 15 Ca 0.05 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1h6r s LEU 15 Cb -0.09 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1h6r s LEU 15 CO 0.00 0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.26 1h6r s VAL 16 N 0.39 1.80 -0.03 1.68 1.01 -0.04 -0.83 120.40 124.37 1h6r s VAL 16 Ca -0.17 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1h6r s VAL 16 Cb -0.17 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1h6r s VAL 16 CO 0.08 0.51 -0.05 -1.61 0.00 0.00 0.00 175.10 174.02 1h6r s GLU 17 N -0.06 0.80 -0.04 2.72 2.02 -0.11 -0.19 118.70 123.83 1h6r s GLU 17 Ca -0.04 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.80 1h6r s GLU 17 Cb -0.13 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.34 1h6r s GLU 17 CO 0.03 -0.01 -0.05 -1.17 0.02 0.00 0.00 175.26 174.08 1h6r s LEU 18 N 0.62 1.34 -0.20 1.80 0.20 -0.10 0.30 118.68 122.65 1h6r s LEU 18 Ca -0.08 -0.13 -0.06 0.00 0.69 0.00 0.00 54.13 54.55 1h6r s LEU 18 Cb -0.12 -0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 45.16 1h6r s LEU 18 CO 0.00 -0.05 0.02 -1.81 -0.29 0.00 0.00 176.35 174.22 1h6r s ASP 19 N 0.90 5.01 0.17 3.68 1.01 -0.38 -1.08 116.67 125.98 1h6r s ASP 19 Ca -0.11 -0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.07 1h6r s ASP 19 Cb -0.14 -1.86 -0.05 0.00 1.01 0.00 0.00 42.92 41.88 1h6r s ASP 19 CO 0.00 0.09 -0.12 -0.83 0.21 0.00 0.00 175.17 174.52 1h6r s GLY 20 N 0.87 1.24 -0.24 0.21 0.00 0.76 -0.90 107.32 109.25 1h6r s GLY 20 Ca 0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 1h6r s GLY 20 CO 0.02 -1.67 0.39 -0.35 0.00 0.00 0.00 173.10 171.49 1h6r s ASP 21 N -3.23 0.14 -0.22 1.64 -1.08 -0.67 -1.51 116.67 111.74 1h6r s ASP 21 Ca 0.19 0.32 0.01 0.00 -0.52 0.00 0.00 52.55 52.56 1h6r s ASP 21 Cb 0.01 1.17 0.05 0.00 -1.46 0.00 0.00 42.92 42.69 1h6r s ASP 21 CO 0.04 -0.29 -0.09 -0.69 0.52 0.00 0.00 175.17 174.65 1h6r s VAL 22 N 2.56 1.76 -1.47 1.11 1.01 -0.16 0.70 120.40 125.92 1h6r s VAL 22 Ca 0.12 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1h6r s VAL 22 Cb -0.15 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.36 1h6r s VAL 22 CO -0.16 0.05 0.86 0.59 0.00 0.00 0.00 175.10 176.45 1h6r n ASN 23 N 4.61 -5.93 0.00 3.32 4.13 0.22 -1.30 115.26 120.31 1h6r n ASN 23 Ca -0.14 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.68 1h6r n ASN 23 Cb 0.45 -4.74 0.00 0.00 -1.54 0.00 0.00 39.78 33.95 1h6r n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h6r n GLY 24 N -1.71 2.97 3.60 7.41 0.00 -1.26 -4.99 105.19 111.22 1h6r n GLY 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1h6r n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h6r s HIS 25 N -1.67 2.08 0.14 1.61 3.76 -0.42 -4.99 115.29 115.80 1h6r s HIS 25 Ca 0.00 0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 55.44 1h6r s HIS 25 Cb 0.00 -4.18 -0.06 0.00 1.11 0.00 0.00 32.58 29.44 1h6r s HIS 25 CO 0.00 -2.57 0.48 0.15 -0.85 0.00 0.00 174.74 171.95 1h6r s LYS 26 N 5.25 3.82 0.04 1.40 1.02 -1.26 -0.99 119.74 129.02 1h6r s LYS 26 Ca 0.72 0.26 -0.28 0.00 0.02 0.00 0.00 55.97 56.68 1h6r s LYS 26 Cb -0.19 -2.88 0.09 0.00 -0.52 0.00 0.00 37.83 34.33 1h6r s LYS 26 CO 0.33 0.47 1.02 -0.59 -0.92 0.00 0.00 175.35 175.66 1h6r s PHE 27 N -1.54 -0.18 0.09 3.18 -0.12 -0.57 -4.98 117.98 113.87 1h6r s PHE 27 Ca 0.39 -0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 57.22 1h6r s PHE 27 Cb -0.13 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1h6r s PHE 27 CO 0.20 -0.58 0.06 -1.54 -0.05 0.00 0.00 175.22 173.31 1h6r s SER 28 N -2.73 0.33 -0.03 1.98 1.04 -1.26 -0.17 113.70 112.86 1h6r s SER 28 Ca 0.10 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 1h6r s SER 28 Cb -0.00 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1h6r s SER 28 CO -0.03 -0.69 0.13 -0.69 0.98 0.00 0.00 173.24 172.95 1h6r s VAL 29 N -3.96 0.03 0.01 5.02 1.01 -0.24 -0.98 120.40 121.29 1h6r s VAL 29 Ca 0.13 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1h6r s VAL 29 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1h6r s VAL 29 CO -0.05 -0.15 -0.20 -0.55 0.00 0.00 0.00 175.10 174.14 1h6r s SER 30 N -0.47 2.42 0.06 3.32 0.15 -0.76 -0.92 113.70 117.50 1h6r s SER 30 Ca -0.06 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1h6r s SER 30 Cb -0.04 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.00 1h6r s SER 30 CO 0.01 0.21 -0.07 -0.83 1.20 0.00 0.00 173.24 173.76 1h6r s GLY 31 N -0.76 0.59 0.03 9.45 0.00 0.74 -0.65 107.32 116.72 1h6r s GLY 31 Ca 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.66 1h6r s GLY 31 CO 0.00 -1.08 0.30 -1.83 0.00 0.00 0.00 173.10 170.49 1h6r s GLU 32 N -2.56 0.77 0.00 2.90 -1.05 -0.50 -0.87 118.70 117.40 1h6r s GLU 32 Ca -0.01 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1h6r s GLU 32 Cb -0.03 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1h6r s GLU 32 CO -0.02 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.36 1h6r n GLY 33 N 0.73 -0.74 3.37 -3.83 0.00 -0.80 -1.18 105.19 102.74 1h6r n GLY 33 Ca -0.19 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1h6r n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h6r s GLU 34 N -0.84 1.05 0.04 1.61 -1.05 -0.27 -0.78 118.70 118.46 1h6r s GLU 34 Ca 0.00 -0.40 0.07 0.00 -0.15 0.00 0.00 54.97 54.49 1h6r s GLU 34 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 1h6r s GLU 34 CO 0.00 -0.40 -0.19 0.20 0.95 0.00 0.00 175.26 175.82 1h6r s GLY 35 N -2.27 1.05 -0.42 -3.83 0.00 0.12 -1.53 107.32 100.45 1h6r s GLY 35 Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1h6r s GLY 35 CO -0.06 -0.94 0.24 -0.35 0.00 0.00 0.00 173.10 171.99 1h6r s ASP 36 N -1.15 3.35 0.59 1.64 3.68 0.60 -0.73 116.67 124.64 1h6r s ASP 36 Ca 0.06 -2.53 0.35 0.00 2.13 0.00 0.00 52.55 52.57 1h6r s ASP 36 Cb -0.09 -0.82 1.82 0.00 -1.45 0.00 0.00 42.92 42.39 1h6r s ASP 36 CO 0.02 -0.27 2.18 0.00 0.13 0.00 0.00 175.17 177.22 1h6r h ALA 37 N 6.74 1.14 -0.38 3.66 0.00 -1.73 -1.42 119.26 127.27 1h6r h ALA 37 Ca 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1h6r h ALA 37 Cb 0.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1h6r h ALA 37 CO 0.41 0.05 0.26 1.15 0.00 0.00 0.00 179.25 181.12 1h6r h THR 38 N 0.00 0.89 -0.20 0.00 2.02 -1.87 -0.68 112.91 113.07 1h6r h THR 38 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1h6r h THR 38 Cb 0.23 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1h6r h THR 38 CO 0.01 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 1h6r n TYR 39 N -4.46 0.26 -2.36 3.16 4.01 -0.61 -4.93 117.16 112.23 1h6r n TYR 39 Ca 0.05 -0.28 -0.20 0.00 -0.16 0.00 0.00 57.90 57.31 1h6r n TYR 39 Cb 0.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.34 1h6r n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h6r n GLY 40 N 0.56 -0.39 3.59 2.72 0.00 -0.26 -4.72 105.19 106.69 1h6r n GLY 40 Ca 0.09 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1h6r n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h6r s LYS 41 N -4.96 3.58 -0.06 1.61 2.20 -0.76 -0.32 119.74 121.04 1h6r s LYS 41 Ca 0.00 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 1h6r s LYS 41 Cb 0.00 -2.97 -0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1h6r s LYS 41 CO 0.00 0.37 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.65 1h6r s LEU 42 N 0.03 1.97 -0.13 5.43 1.43 0.38 -0.29 118.68 127.50 1h6r s LEU 42 Ca 0.02 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1h6r s LEU 42 Cb -0.13 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1h6r s LEU 42 CO 0.02 0.18 -0.05 0.42 0.23 0.00 0.00 176.35 177.15 1h6r s THR 43 N 0.04 0.89 0.03 5.49 -4.23 -0.58 -1.05 115.64 116.23 1h6r s THR 43 Ca -0.06 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1h6r s THR 43 Cb -0.13 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 1h6r s THR 43 CO 0.04 0.23 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.55 1h6r s LEU 44 N 1.75 2.30 -0.06 4.79 1.43 -0.16 -1.11 118.68 127.61 1h6r s LEU 44 Ca 0.03 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1h6r s LEU 44 Cb -0.14 0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.19 1h6r s LEU 44 CO -0.07 -0.36 -0.14 -0.75 0.23 0.00 0.00 176.35 175.26 1h6r s LYS 45 N -2.01 1.78 -0.07 1.70 2.20 -0.33 -0.13 119.74 122.88 1h6r s LYS 45 Ca -0.10 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1h6r s LYS 45 Cb -0.06 -1.48 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1h6r s LYS 45 CO -0.03 0.11 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.82 1h6r s PHE 46 N 0.41 2.61 -0.07 4.03 0.40 0.68 -1.41 117.98 124.63 1h6r s PHE 46 Ca -0.11 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 1h6r s PHE 46 Cb -0.14 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.73 1h6r s PHE 46 CO 0.03 -0.09 -0.12 0.42 0.70 0.00 0.00 175.22 176.16 1h6r s ILE 47 N -0.21 1.15 0.44 0.64 1.01 0.18 -1.02 121.20 123.38 1h6r s ILE 47 Ca -0.01 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 1h6r s ILE 47 Cb -0.13 -1.06 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 1h6r s ILE 47 CO 0.03 0.36 1.22 0.54 0.00 0.00 0.00 174.94 177.09 1h6r s VAL 48 N 0.75 2.91 0.22 2.92 0.11 -0.90 -1.83 120.40 124.58 1h6r s VAL 48 Ca -0.13 0.74 -0.07 0.00 -2.93 0.00 0.00 61.98 59.58 1h6r s VAL 48 Cb -0.16 -3.40 0.17 0.00 -1.53 0.00 0.00 36.38 31.47 1h6r s VAL 48 CO 0.03 0.04 1.80 0.74 -3.33 0.00 0.00 175.10 174.38 1h6r h THR 49 N 2.11 0.92 -2.65 5.04 2.02 -1.42 -3.45 112.91 115.47 1h6r h THR 49 Ca -0.49 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1h6r h THR 49 Cb 1.25 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.68 1h6r h THR 49 CO 0.61 0.13 0.21 0.28 0.37 0.00 0.00 175.52 177.12 1h6r s THR 50 N -6.07 0.00 0.00 3.16 -1.32 -1.26 -5.10 115.64 105.05 1h6r s THR 50 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1h6r s THR 50 Cb 0.17 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1h6r s THR 50 CO 0.77 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.79 1h6r n GLY 51 N 0.04 2.51 3.43 6.08 0.00 -1.26 -4.74 105.19 111.25 1h6r n GLY 51 Ca -0.17 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1h6r n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1h6r s LYS 52 N 0.00 2.44 0.19 1.61 2.20 -1.26 -4.46 119.74 120.46 1h6r s LYS 52 Ca 0.00 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 1h6r s LYS 52 Cb 0.00 -2.30 -0.09 0.00 -1.51 0.00 0.00 37.83 33.92 1h6r s LYS 52 CO 0.00 0.59 1.40 -1.17 -0.36 0.00 0.00 175.35 175.81 1h6r s LEU 53 N -0.66 4.39 0.07 5.43 2.96 -1.26 -4.91 118.68 124.69 1h6r s LEU 53 Ca 0.10 2.49 0.21 0.00 -0.22 0.00 0.00 54.13 56.72 1h6r s LEU 53 Cb -0.11 -3.61 0.88 0.00 0.50 0.00 0.00 46.19 43.86 1h6r s LEU 53 CO 0.00 -0.64 1.68 -0.81 -1.32 0.00 0.00 176.35 175.26 1h6r n PRO 54 N 2.97 0.06 -4.33 0.98 -0.04 -1.26 -4.79 135.00 128.58 1h6r n PRO 54 Ca 0.08 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.57 1h6r n PRO 54 Cb 0.41 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 1h6r n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1h6r s VAL 55 N -3.06 1.31 0.26 0.52 -7.23 -1.26 -4.63 120.40 106.30 1h6r s VAL 55 Ca 0.09 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1h6r s VAL 55 Cb 0.13 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1h6r s VAL 55 CO 0.40 -0.48 1.26 -2.84 -0.31 0.00 0.00 175.10 173.13 1h6r s PRO 56 N -3.77 4.44 0.26 4.82 0.02 -1.26 -4.92 135.00 134.59 1h6r s PRO 56 Ca 0.24 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 1h6r s PRO 56 Cb 0.03 -3.15 0.54 0.00 0.02 0.00 0.00 34.50 31.95 1h6r s PRO 56 CO 0.07 -0.12 1.71 -1.49 -0.33 0.00 0.00 177.00 176.84 1h6r h TRP 57 N 4.29 0.48 -0.46 6.54 4.06 -1.97 -1.08 115.95 127.80 1h6r h TRP 57 Ca -0.47 0.04 0.13 0.00 2.06 0.00 0.00 58.89 60.66 1h6r h TRP 57 Cb 1.22 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.27 1h6r h TRP 57 CO 0.59 -0.01 0.34 -1.35 -3.56 0.00 0.00 178.44 174.45 1h6r h PRO 58 N 0.38 0.00 0.00 0.49 0.11 -1.91 -1.19 132.00 129.88 1h6r h PRO 58 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1h6r h PRO 58 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1h6r h PRO 58 CO -0.48 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.56 1h6r n THR 59 N -4.34 0.94 0.70 -1.15 -2.24 -0.41 -2.59 114.28 105.19 1h6r n THR 59 Ca 0.08 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1h6r n THR 59 Cb 0.55 -1.05 0.04 0.00 -2.10 0.00 0.00 70.33 67.76 1h6r n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h6r n LEU 60 N -1.75 2.05 -0.08 3.22 4.77 -0.45 -4.64 117.00 120.12 1h6r n LEU 60 Ca 0.03 -0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 55.05 1h6r n LEU 60 Cb 0.19 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1h6r n LEU 60 CO 0.16 0.37 0.82 0.58 -1.33 0.00 0.00 177.39 177.99 1h6r h VAL 61 N 2.62 0.72 0.00 4.08 2.07 -1.51 0.45 116.25 124.69 1h6r h VAL 61 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1h6r h VAL 61 Cb 0.63 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1h6r h VAL 61 CO 0.00 0.00 -0.28 0.71 0.02 0.00 0.00 177.57 178.03 1h6r h THR 62 N 0.03 1.10 -0.11 2.57 1.35 -1.82 -2.74 112.91 113.29 1h6r h THR 62 Ca 0.14 -0.99 -0.15 0.00 -0.55 0.00 0.00 66.41 64.86 1h6r h THR 62 Cb 0.21 1.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1h6r h THR 62 CO -0.29 0.27 -0.53 0.74 -0.25 0.00 0.00 175.52 175.47 1h6r h THR 63 N 0.00 1.36 0.00 6.82 2.02 -1.63 -3.45 112.91 118.02 1h6r h THR 63 Ca -0.00 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.32 1h6r h THR 63 Cb 0.53 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1h6r h THR 63 CO 0.04 0.56 0.05 0.49 0.37 0.00 0.00 175.52 177.02 1h6r n PHE 64 N -4.20 0.00 0.00 3.16 0.99 0.07 -5.03 117.46 112.44 1h6r n PHE 64 Ca -0.08 -0.46 0.00 0.00 -0.00 0.00 0.00 57.45 56.91 1h6r n PHE 64 Cb 0.61 -0.53 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 1h6r n PHE 64 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1h6r n LEU 68 N 2.15 0.00 0.13 4.37 4.77 -1.26 -5.02 117.00 122.14 1h6r n LEU 68 Ca 0.06 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1h6r n LEU 68 Cb 0.25 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.84 1h6r n LEU 68 CO 0.07 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 176.93 1h6r n GLN 69 N 0.00 0.14 0.04 3.23 6.02 -1.26 -1.60 117.38 123.95 1h6r n GLN 69 Ca 0.00 0.55 0.07 0.00 -0.01 0.00 0.00 57.00 57.61 1h6r n GLN 69 Cb 0.00 -1.88 0.30 0.00 1.02 0.00 0.00 30.24 29.68 1h6r n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h6r n PHE 71 N -1.70 0.63 -1.91 0.00 3.72 -0.63 -4.65 117.46 112.92 1h6r n PHE 71 Ca 0.02 -0.31 -0.37 0.00 -0.05 0.00 0.00 57.45 56.74 1h6r n PHE 71 Cb 0.14 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1h6r n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h6r s ALA 72 N -1.37 2.67 -0.46 4.37 0.00 -0.90 -3.96 121.76 122.10 1h6r s ALA 72 Ca 0.36 1.16 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 1h6r s ALA 72 Cb 0.19 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1h6r s ALA 72 CO 0.26 -1.26 0.77 0.50 0.00 0.00 0.00 175.76 176.03 1h6r s ARG 73 N -3.10 3.36 -0.20 0.00 3.52 0.05 -4.71 118.95 117.87 1h6r s ARG 73 Ca 0.75 -0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.97 1h6r s ARG 73 Cb -0.35 -3.96 -0.04 0.00 -1.56 0.00 0.00 34.95 29.04 1h6r s ARG 73 CO 0.40 -1.15 0.41 0.71 -0.81 0.00 0.00 175.30 174.86 1h6r s TYR 74 N 3.25 3.37 1.02 5.12 1.51 -1.26 -1.18 117.35 129.17 1h6r s TYR 74 Ca 0.28 0.62 -0.12 0.00 -1.01 0.00 0.00 57.07 56.84 1h6r s TYR 74 Cb -0.13 -2.54 0.17 0.00 -0.11 0.00 0.00 41.96 39.35 1h6r s TYR 74 CO 0.21 -0.03 0.89 -2.30 -1.11 0.00 0.00 175.55 173.22 1h6r n PRO 75 N 4.53 -1.17 0.28 -1.71 -0.02 -1.26 -4.77 135.00 130.88 1h6r n PRO 75 Ca -0.08 -0.29 0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1h6r n PRO 75 Cb 0.51 -2.17 0.99 0.00 -0.02 0.00 0.00 33.50 32.81 1h6r n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1h6r h ASP 76 N -2.11 0.00 -0.22 2.55 3.45 -2.00 -0.37 116.42 117.71 1h6r h ASP 76 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 1h6r h ASP 76 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1h6r h ASP 76 CO 0.42 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.09 1h6r n HIS 77 N -2.80 0.27 -0.91 4.55 1.44 -1.26 -4.34 115.22 112.17 1h6r n HIS 77 Ca -0.02 -0.13 0.07 0.00 -2.01 0.00 0.00 57.72 55.62 1h6r n HIS 77 Cb 0.07 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.27 1h6r n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1h6r n MET 78 N 1.25 1.52 0.26 -1.40 2.81 -0.15 -4.80 117.12 116.61 1h6r n MET 78 Ca 0.17 -2.15 0.09 0.00 -1.81 0.00 0.00 57.70 54.01 1h6r n MET 78 Cb 0.56 -1.28 0.68 0.00 -0.71 0.00 0.00 33.22 32.47 1h6r n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1h6r h LYS 79 N 0.00 0.00 0.00 0.03 1.79 -1.75 -1.37 116.57 115.27 1h6r h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1h6r h LYS 79 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1h6r h LYS 79 CO 0.00 0.05 0.00 -2.13 -1.08 0.00 0.00 179.45 176.29 1h6r n ARG 80 N -4.27 0.30 -0.28 3.15 0.63 -1.26 -2.78 116.66 112.14 1h6r n ARG 80 Ca -0.03 0.09 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 1h6r n ARG 80 Cb 0.13 -1.50 0.25 0.00 0.45 0.00 0.00 32.46 31.79 1h6r n ARG 80 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1h6r n HIS 81 N -1.28 0.74 -3.09 -0.14 8.25 -0.52 -4.61 115.22 114.59 1h6r n HIS 81 Ca 0.10 -0.50 -0.45 0.00 -0.26 0.00 0.00 57.72 56.61 1h6r n HIS 81 Cb 0.16 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1h6r n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1h6r s ASP 82 N -1.00 6.68 0.12 0.41 -1.08 -1.12 -4.41 116.67 116.27 1h6r s ASP 82 Ca 0.37 -2.30 -0.16 0.00 -0.52 0.00 0.00 52.55 49.94 1h6r s ASP 82 Cb 0.19 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.31 1h6r s ASP 82 CO 0.25 -0.87 1.61 0.15 0.52 0.00 0.00 175.17 176.84 1h6r h PHE 83 N 8.41 0.64 -0.14 -5.34 3.57 -1.89 -3.03 116.94 119.16 1h6r h PHE 83 Ca 0.14 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1h6r h PHE 83 Cb 1.03 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1h6r h PHE 83 CO 1.11 0.64 -0.10 0.74 -2.23 0.00 0.00 178.31 178.47 1h6r h PHE 84 N 0.46 -0.24 -0.05 0.41 -1.00 -1.89 -1.89 116.94 112.75 1h6r h PHE 84 Ca 0.12 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 1h6r h PHE 84 Cb 0.33 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1h6r h PHE 84 CO 0.02 -0.15 -0.57 0.87 -1.61 0.00 0.00 178.31 176.87 1h6r h LYS 85 N -0.10 0.14 0.00 1.51 1.57 -1.83 -3.14 116.57 114.73 1h6r h LYS 85 Ca 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1h6r h LYS 85 Cb 0.23 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1h6r h LYS 85 CO -0.20 0.68 -0.03 0.66 -0.57 0.00 0.00 179.45 179.98 1h6r h SER 86 N 0.11 0.00 0.95 0.86 4.64 -1.22 -1.14 113.55 117.75 1h6r h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h6r h SER 86 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1h6r h SER 86 CO 0.08 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1h6r n ALA 87 N -2.25 2.34 -1.96 5.18 0.00 -0.99 -4.52 120.51 118.31 1h6r n ALA 87 Ca -0.03 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1h6r n ALA 87 Cb 0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 1h6r n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h6r s MET 88 N -2.96 4.03 0.31 0.00 1.00 -0.43 -0.63 119.30 120.63 1h6r s MET 88 Ca 0.15 0.87 0.25 0.00 0.00 0.00 0.00 55.69 56.96 1h6r s MET 88 Cb 0.19 -2.26 0.60 0.00 0.00 0.00 0.00 34.83 33.36 1h6r s MET 88 CO 0.52 -0.05 1.70 -1.00 0.00 0.00 0.00 175.02 176.19 1h6r h PRO 89 N 1.63 0.00 -0.50 2.03 0.13 -1.87 0.26 132.00 133.68 1h6r h PRO 89 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1h6r h PRO 89 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1h6r h PRO 89 CO 0.63 0.00 0.33 0.93 -0.23 0.00 0.00 178.00 179.66 1h6r h GLU 90 N 0.00 0.64 0.00 0.86 5.08 -1.89 -2.21 114.58 117.06 1h6r h GLU 90 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1h6r h GLU 90 Cb 0.86 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1h6r h GLU 90 CO 0.00 0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.85 1h6r n GLY 91 N -1.46 -1.81 3.20 -3.84 0.00 0.20 -4.70 105.19 96.77 1h6r n GLY 91 Ca 0.05 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1h6r n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h6r s TYR 92 N 0.00 0.26 -0.19 1.61 -0.85 -0.35 -0.87 117.35 116.97 1h6r s TYR 92 Ca 0.00 -0.70 -0.10 0.00 -0.52 0.00 0.00 57.07 55.75 1h6r s TYR 92 Cb 0.00 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 1h6r s TYR 92 CO 0.00 -0.53 0.14 0.08 -1.52 0.00 0.00 175.55 173.71 1h6r s VAL 93 N -3.89 5.42 -0.18 -3.49 1.01 0.40 -0.82 120.40 118.85 1h6r s VAL 93 Ca 0.07 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1h6r s VAL 93 Cb 0.05 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1h6r s VAL 93 CO -0.09 0.46 -0.12 -1.58 0.00 0.00 0.00 175.10 173.77 1h6r s GLN 94 N 0.18 3.23 -0.03 2.72 0.74 0.35 -1.33 119.66 125.53 1h6r s GLN 94 Ca 0.09 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 54.86 1h6r s GLN 94 Cb -0.11 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 1h6r s GLN 94 CO -0.01 -0.10 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.18 1h6r s GLU 95 N 1.13 2.19 0.04 1.67 2.02 0.32 -0.92 118.70 125.15 1h6r s GLU 95 Ca 0.01 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 1h6r s GLU 95 Cb -0.14 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1h6r s GLU 95 CO -0.04 0.56 0.00 1.03 0.02 0.00 0.00 175.26 176.83 1h6r s ARG 96 N -0.60 0.52 -0.08 1.61 0.52 -0.63 -1.23 118.95 119.07 1h6r s ARG 96 Ca 0.09 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1h6r s ARG 96 Cb -0.10 0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.56 1h6r s ARG 96 CO -0.01 -0.11 -0.18 0.99 0.02 0.00 0.00 175.30 176.02 1h6r s THR 97 N -2.90 1.58 -0.23 0.02 2.01 -0.52 -1.03 115.64 114.58 1h6r s THR 97 Ca -0.03 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1h6r s THR 97 Cb 0.01 -1.40 0.04 0.00 0.01 0.00 0.00 72.50 71.16 1h6r s THR 97 CO -0.06 0.45 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 1h6r s ILE 98 N 0.52 2.23 -0.32 1.82 1.01 0.18 -1.03 121.20 125.60 1h6r s ILE 98 Ca -0.16 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.07 1h6r s ILE 98 Cb -0.17 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1h6r s ILE 98 CO 0.06 0.22 0.25 -0.36 0.00 0.00 0.00 174.94 175.11 1h6r s PHE 99 N 1.20 3.22 -0.25 3.97 0.40 0.37 -1.31 117.98 125.59 1h6r s PHE 99 Ca -0.02 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.02 1h6r s PHE 99 Cb -0.17 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 1h6r s PHE 99 CO -0.08 -0.31 0.69 -0.06 0.70 0.00 0.00 175.22 176.16 1h6r s PHE 100 N 1.79 3.29 0.04 0.36 0.40 -0.44 -0.22 117.98 123.21 1h6r s PHE 100 Ca 0.07 0.92 -0.37 0.00 -0.60 0.00 0.00 56.93 56.96 1h6r s PHE 100 Cb -0.17 -2.90 -0.16 0.00 0.51 0.00 0.00 43.02 40.30 1h6r s PHE 100 CO 0.11 -0.34 1.47 1.17 0.70 0.00 0.00 175.22 178.32 1h6r n LYS 101 N 5.78 1.39 -1.49 0.44 3.00 -0.47 -0.91 118.16 125.90 1h6r n LYS 101 Ca 0.01 0.50 -0.17 0.00 -0.00 0.00 0.00 58.31 58.66 1h6r n LYS 101 Cb 0.48 -2.19 -0.07 0.00 0.00 0.00 0.00 35.03 33.26 1h6r n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1h6r n ASP 102 N 3.31 -5.11 -0.02 3.14 10.43 -1.26 -4.81 116.55 122.22 1h6r n ASP 102 Ca 0.19 0.42 0.00 0.00 2.57 0.00 0.00 54.79 57.98 1h6r n ASP 102 Cb 0.21 -4.11 0.00 0.00 1.84 0.00 0.00 41.12 39.06 1h6r n ASP 102 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1h6r n ASP 103 N -0.82 0.00 -2.22 -2.24 4.64 -0.09 -4.93 116.55 110.90 1h6r n ASP 103 Ca -0.17 -0.02 -0.01 0.00 -1.38 0.00 0.00 54.79 53.20 1h6r n ASP 103 Cb 0.57 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.66 1h6r n ASP 103 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1h6r n GLY 104 N 0.00 -1.51 3.04 0.27 0.00 -1.16 -4.56 105.19 101.27 1h6r n GLY 104 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1h6r n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h6r s ASN 105 N -1.34 0.53 -0.02 1.61 2.20 -0.80 -1.33 114.94 115.79 1h6r s ASN 105 Ca 0.03 -0.63 0.01 0.00 -0.94 0.00 0.00 52.86 51.34 1h6r s ASN 105 Cb -0.00 0.09 -0.04 0.00 -2.00 0.00 0.00 41.25 39.31 1h6r s ASN 105 CO 0.02 -0.33 -0.00 -0.31 -2.94 0.00 0.00 177.10 173.55 1h6r s TYR 106 N -1.96 3.08 -0.11 1.54 2.02 -0.43 -1.39 117.35 120.11 1h6r s TYR 106 Ca -0.09 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1h6r s TYR 106 Cb -0.06 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1h6r s TYR 106 CO -0.02 0.46 -0.19 0.15 -1.57 0.00 0.00 175.55 174.38 1h6r s LYS 107 N -1.43 2.54 0.07 -0.62 1.02 0.76 -0.65 119.74 121.43 1h6r s LYS 107 Ca 0.18 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1h6r s LYS 107 Cb -0.11 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1h6r s LYS 107 CO 0.09 0.02 -0.15 0.95 -0.92 0.00 0.00 175.35 175.34 1h6r s THR 108 N 0.74 1.16 -0.05 2.17 -4.23 -0.19 -1.23 115.64 114.01 1h6r s THR 108 Ca -0.11 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1h6r s THR 108 Cb -0.16 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.61 1h6r s THR 108 CO 0.02 -0.16 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.33 1h6r s ARG 109 N -1.62 0.59 0.05 3.99 3.52 -0.55 -1.60 118.95 123.34 1h6r s ARG 109 Ca -0.00 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 1h6r s ARG 109 Cb -0.10 -0.80 -0.02 0.00 -1.56 0.00 0.00 34.95 32.47 1h6r s ARG 109 CO 0.02 -0.19 -0.10 0.00 -0.81 0.00 0.00 175.30 174.22 1h6r s ALA 110 N 1.39 0.77 -0.18 6.12 0.00 -0.10 -0.99 121.76 128.78 1h6r s ALA 110 Ca -0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1h6r s ALA 110 Cb -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1h6r s ALA 110 CO -0.03 0.06 -0.11 -1.21 0.00 0.00 0.00 175.76 174.47 1h6r s GLU 111 N -1.49 3.29 -0.22 0.00 2.02 -0.32 -0.49 118.70 121.48 1h6r s GLU 111 Ca -0.06 -0.70 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1h6r s GLU 111 Cb -0.09 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1h6r s GLU 111 CO 0.01 -0.04 -0.06 0.08 0.02 0.00 0.00 175.26 175.26 1h6r s VAL 112 N 1.00 3.13 0.10 2.63 1.01 -0.00 -1.58 120.40 126.69 1h6r s VAL 112 Ca -0.01 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 1h6r s VAL 112 Cb -0.15 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.87 1h6r s VAL 112 CO -0.02 0.40 0.87 -1.59 0.00 0.00 0.00 175.10 174.76 1h6r s LYS 113 N 1.43 1.10 0.16 2.72 -2.85 -0.50 -1.21 119.74 120.59 1h6r s LYS 113 Ca 0.05 -0.52 -0.25 0.00 -1.00 0.00 0.00 55.97 54.25 1h6r s LYS 113 Cb -0.14 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 1h6r s LYS 113 CO -0.05 -0.50 0.76 -0.06 0.10 0.00 0.00 175.35 175.61 1h6r s PHE 114 N -3.32 3.90 -0.27 1.78 0.40 -0.83 -0.60 117.98 119.03 1h6r s PHE 114 Ca 0.08 1.61 0.01 0.00 -0.60 0.00 0.00 56.93 58.03 1h6r s PHE 114 Cb -0.02 -2.75 0.08 0.00 0.51 0.00 0.00 43.02 40.84 1h6r s PHE 114 CO -0.04 0.52 0.00 -1.21 0.70 0.00 0.00 175.22 175.20 1h6r s GLU 115 N -1.15 1.35 5.12 0.44 2.02 -0.06 -4.91 118.70 121.52 1h6r s GLU 115 Ca 0.35 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1h6r s GLU 115 Cb -0.23 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1h6r s GLU 115 CO 0.26 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1h6r n GLY 116 N 4.64 1.89 0.71 -1.39 0.00 -1.26 -2.13 105.19 107.65 1h6r n GLY 116 Ca -0.06 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1h6r n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h6r n ASP 117 N 1.91 2.10 -4.75 1.61 8.00 -1.26 -4.87 116.55 119.29 1h6r n ASP 117 Ca 0.00 -1.89 -0.35 0.00 0.71 0.00 0.00 54.79 53.26 1h6r n ASP 117 Cb 0.00 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 1h6r n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h6r s THR 118 N -1.58 5.29 -0.20 -3.53 2.01 -0.91 -4.40 115.64 112.32 1h6r s THR 118 Ca 0.30 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1h6r s THR 118 Cb 0.16 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 1h6r s THR 118 CO 0.23 0.49 0.78 -0.22 -0.69 0.00 0.00 174.62 175.21 1h6r s LEU 119 N -0.02 4.14 -0.08 4.42 1.98 -0.33 -0.88 118.68 127.91 1h6r s LEU 119 Ca 0.09 1.05 0.03 0.00 -2.89 0.00 0.00 54.13 52.41 1h6r s LEU 119 Cb -0.11 -3.13 -0.02 0.00 0.66 0.00 0.00 46.19 43.58 1h6r s LEU 119 CO -0.00 -0.40 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.20 1h6r s VAL 120 N 2.29 2.83 -0.31 1.68 1.01 0.23 -1.25 120.40 126.89 1h6r s VAL 120 Ca 0.35 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1h6r s VAL 120 Cb -0.16 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1h6r s VAL 120 CO 0.10 0.56 -0.01 0.21 0.00 0.00 0.00 175.10 175.97 1h6r s ASN 121 N -0.21 4.61 -0.24 3.32 2.47 -0.01 -1.41 114.94 123.47 1h6r s ASN 121 Ca -0.00 -1.85 -0.07 0.00 0.42 0.00 0.00 52.86 51.37 1h6r s ASN 121 Cb -0.13 -1.57 -0.03 0.00 -1.45 0.00 0.00 41.25 38.08 1h6r s ASN 121 CO 0.03 -0.31 0.05 -0.13 -3.72 0.00 0.00 177.10 173.02 1h6r s ARG 122 N 1.01 3.62 0.05 0.43 0.52 -0.62 -0.93 118.95 123.03 1h6r s ARG 122 Ca 0.03 -0.50 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1h6r s ARG 122 Cb -0.19 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1h6r s ARG 122 CO -0.07 -0.15 -0.23 0.42 0.02 0.00 0.00 175.30 175.29 1h6r s ILE 123 N 1.48 1.87 -0.09 1.52 1.01 0.15 -1.18 121.20 125.96 1h6r s ILE 123 Ca 0.06 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.42 1h6r s ILE 123 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1h6r s ILE 123 CO 0.02 0.24 -0.23 -1.61 0.00 0.00 0.00 174.94 173.36 1h6r s GLU 124 N -1.31 2.90 -0.03 2.79 2.02 -0.17 -1.25 118.70 123.66 1h6r s GLU 124 Ca 0.09 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1h6r s GLU 124 Cb -0.09 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1h6r s GLU 124 CO 0.02 0.27 -0.09 -1.17 0.02 0.00 0.00 175.26 174.31 1h6r s LEU 125 N 0.13 1.75 -0.08 1.80 0.20 -0.08 -1.48 118.68 120.93 1h6r s LEU 125 Ca -0.12 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.52 1h6r s LEU 125 Cb -0.16 -0.55 0.02 0.00 -0.43 0.00 0.00 46.19 45.07 1h6r s LEU 125 CO 0.07 0.06 -0.08 -0.75 -0.29 0.00 0.00 176.35 175.35 1h6r s LYS 126 N 0.26 1.40 -0.05 1.98 2.20 -0.37 -1.67 119.74 123.49 1h6r s LYS 126 Ca -0.04 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 55.38 1h6r s LYS 126 Cb -0.09 -1.37 -0.01 0.00 -1.51 0.00 0.00 37.83 34.85 1h6r s LYS 126 CO 0.01 -0.15 -0.24 0.20 -0.36 0.00 0.00 175.35 174.81 1h6r s GLY 127 N 1.28 1.32 0.09 5.54 0.00 0.22 -0.17 107.32 115.60 1h6r s GLY 127 Ca -0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.63 1h6r s GLY 127 CO -0.03 -0.71 -0.01 -0.26 0.00 0.00 0.00 173.10 172.09 1h6r s ILE 128 N -0.29 0.34 -1.77 0.90 -4.36 -0.49 -0.61 121.20 114.92 1h6r s ILE 128 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1h6r s ILE 128 Cb -0.13 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.84 1h6r s ILE 128 CO 0.02 -0.79 0.00 0.47 0.24 0.00 0.00 174.94 174.89 1h6r n ASP 129 N -0.01 -5.37 -4.81 4.36 8.00 -1.26 -1.91 116.55 115.55 1h6r n ASP 129 Ca -0.11 0.18 -0.34 0.00 0.71 0.00 0.00 54.79 55.23 1h6r n ASP 129 Cb 0.62 -4.46 -0.07 0.00 -0.02 0.00 0.00 41.12 37.19 1h6r n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1h6r s PHE 130 N -2.84 3.36 -0.04 1.24 0.40 -1.26 -3.00 117.98 115.84 1h6r s PHE 130 Ca 0.00 1.64 -0.24 0.00 -0.60 0.00 0.00 56.93 57.73 1h6r s PHE 130 Cb 0.00 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 1h6r s PHE 130 CO 0.00 -0.11 0.72 0.15 0.70 0.00 0.00 175.22 176.68 1h6r s LYS 131 N -2.96 4.45 0.45 0.44 1.02 -1.26 -4.88 119.74 117.00 1h6r s LYS 131 Ca 0.60 0.93 0.22 0.00 0.02 0.00 0.00 55.97 57.74 1h6r s LYS 131 Cb -0.12 -3.43 1.21 0.00 -0.52 0.00 0.00 37.83 34.98 1h6r s LYS 131 CO 0.16 0.12 1.85 0.93 -0.92 0.00 0.00 175.35 177.49 1h6r h GLU 132 N 6.49 0.27 -0.26 1.68 5.08 -1.95 0.58 114.58 126.48 1h6r h GLU 132 Ca -0.42 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1h6r h GLU 132 Cb 1.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1h6r h GLU 132 CO 0.74 0.18 -0.00 -0.40 -1.00 0.00 0.00 179.01 178.53 1h6r n ASP 133 N -4.45 3.79 -4.04 1.42 5.75 -1.26 -4.02 116.55 113.73 1h6r n ASP 133 Ca 0.20 -3.05 -0.30 0.00 -0.01 0.00 0.00 54.79 51.63 1h6r n ASP 133 Cb 0.80 -0.55 0.20 0.00 -1.03 0.00 0.00 41.12 40.54 1h6r n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1h6r s GLY 134 N -1.99 1.81 0.53 6.12 0.00 0.20 -4.76 107.32 109.22 1h6r s GLY 134 Ca 0.42 -1.29 0.28 0.00 0.00 0.00 0.00 44.72 44.13 1h6r s GLY 134 CO 0.08 -0.48 2.08 3.43 0.00 0.00 0.00 173.10 178.21 1h6r h ASN 135 N -1.70 0.00 0.00 1.64 2.35 -1.93 0.04 115.58 115.98 1h6r h ASN 135 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1h6r h ASN 135 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1h6r h ASN 135 CO 0.34 0.11 -0.06 0.40 -1.65 0.00 0.00 177.43 176.57 1h6r h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -1.40 117.51 122.02 1h6r h ILE 136 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1h6r h ILE 136 Cb 0.32 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1h6r h ILE 136 CO 0.01 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.41 1h6r h LEU 137 N -0.27 0.00 -1.17 1.44 3.38 -1.74 -1.15 115.31 115.80 1h6r h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h6r h LEU 137 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h6r h LEU 137 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1h6r n GLY 138 N -0.48 0.25 3.80 0.83 0.00 0.00 -4.91 105.19 104.68 1h6r n GLY 138 Ca -0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1h6r n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h6r n HIS 139 N 0.41 -1.78 -0.40 1.61 8.25 -0.44 -4.89 115.22 117.99 1h6r n HIS 139 Ca 0.18 0.49 0.08 0.00 -0.26 0.00 0.00 57.72 58.21 1h6r n HIS 139 Cb 0.39 -3.47 0.23 0.00 1.12 0.00 0.00 29.99 28.27 1h6r n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1h6r n LYS 140 N -4.34 2.99 -3.43 -0.41 5.02 -0.53 -4.99 118.16 112.47 1h6r n LYS 140 Ca -0.16 -2.40 -0.36 0.00 -2.02 0.00 0.00 58.31 53.37 1h6r n LYS 140 Cb 0.62 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1h6r n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h6r s LEU 141 N -1.39 4.40 0.52 -0.35 1.43 -1.25 -2.39 118.68 119.65 1h6r s LEU 141 Ca 0.35 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 54.26 1h6r s LEU 141 Cb 0.21 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1h6r s LEU 141 CO 0.19 0.20 1.10 -1.61 0.23 0.00 0.00 176.35 176.46 1h6r s GLU 142 N -1.61 3.53 -1.30 1.70 2.02 -0.03 -4.85 118.70 118.15 1h6r s GLU 142 Ca 0.32 1.53 -0.12 0.00 0.02 0.00 0.00 54.97 56.72 1h6r s GLU 142 Cb -0.16 -2.05 0.13 0.00 0.10 0.00 0.00 34.13 32.15 1h6r s GLU 142 CO 0.17 -0.69 1.82 0.98 0.02 0.00 0.00 175.26 177.57 1h6r n TYR 143 N -1.14 3.74 -3.63 1.61 9.36 -1.26 -4.81 117.16 121.02 1h6r n TYR 143 Ca 0.11 -2.97 -0.07 0.00 3.32 0.00 0.00 57.90 58.29 1h6r n TYR 143 Cb 0.51 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 1h6r n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1h6r n ASN 144 N 5.23 -1.23 -3.65 2.98 0.23 -1.26 -4.82 115.26 112.75 1h6r n ASN 144 Ca 0.42 -2.07 -0.09 0.00 -0.53 0.00 0.00 54.58 52.32 1h6r n ASN 144 Cb 0.39 2.11 -0.07 0.00 -2.08 0.00 0.00 39.78 40.13 1h6r n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1h6r s TYR 145 N -4.36 -0.96 0.47 -2.53 5.04 -1.26 -4.87 117.35 108.88 1h6r s TYR 145 Ca 0.13 1.99 -0.09 0.00 -2.44 0.00 0.00 57.07 56.66 1h6r s TYR 145 Cb -0.02 0.53 -0.05 0.00 0.35 0.00 0.00 41.96 42.76 1h6r s TYR 145 CO 0.10 -0.48 0.83 -0.80 -1.34 0.00 0.00 175.55 173.86 1h6r s ASN 146 N 1.37 6.40 0.26 4.32 0.01 -1.26 -4.64 114.94 121.39 1h6r s ASN 146 Ca -0.08 1.14 -0.03 0.00 -0.71 0.00 0.00 52.86 53.18 1h6r s ASN 146 Cb -0.05 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1h6r s ASN 146 CO -0.15 -0.55 0.49 -0.44 -1.51 0.00 0.00 177.10 174.94 1h6r s SER 147 N -3.63 6.41 -0.08 -1.22 0.01 -1.26 -4.65 113.70 109.28 1h6r s SER 147 Ca 0.51 0.57 -0.32 0.00 1.31 0.00 0.00 55.95 58.02 1h6r s SER 147 Cb -0.10 -2.08 0.14 0.00 0.21 0.00 0.00 66.02 64.18 1h6r s SER 147 CO 0.39 -0.15 1.41 -1.38 0.41 0.00 0.00 173.24 173.93 1h6r s HIS 148 N -2.02 -0.01 0.07 2.43 -3.43 -0.97 -5.02 115.29 106.34 1h6r s HIS 148 Ca 0.41 -0.02 0.07 0.00 -0.80 0.00 0.00 55.06 54.73 1h6r s HIS 148 Cb -0.11 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1h6r s HIS 148 CO 0.30 -0.06 -0.15 0.00 -2.00 0.00 0.00 174.74 172.83 1h6r s VAL 150 N -1.04 2.66 -0.37 0.00 -7.23 0.32 -4.93 120.40 109.80 1h6r s VAL 150 Ca 0.17 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1h6r s VAL 150 Cb -0.11 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1h6r s VAL 150 CO 0.08 -0.14 0.32 -0.47 -0.31 0.00 0.00 175.10 174.58 1h6r s TYR 151 N -1.75 3.22 -0.17 2.82 5.04 -1.26 -1.14 117.35 124.10 1h6r s TYR 151 Ca 0.23 -0.30 -0.16 0.00 -2.44 0.00 0.00 57.07 54.40 1h6r s TYR 151 Cb -0.08 -2.62 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 1h6r s TYR 151 CO 0.12 -0.50 0.38 0.42 -1.34 0.00 0.00 175.55 174.63 1h6r s ILE 152 N 1.85 5.24 0.01 3.14 -1.09 0.52 -4.43 121.20 126.43 1h6r s ILE 152 Ca 0.08 0.70 0.04 0.00 -2.23 0.00 0.00 60.65 59.25 1h6r s ILE 152 Cb -0.18 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1h6r s ILE 152 CO 0.11 0.32 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.31 1h6r s VAL 153 N 0.84 1.09 0.48 2.92 1.01 -0.96 -1.73 120.40 124.06 1h6r s VAL 153 Ca 0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1h6r s VAL 153 Cb -0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 1h6r s VAL 153 CO 0.07 0.18 1.01 0.00 0.00 0.00 0.00 175.10 176.36 1h6r s ALA 154 N -0.53 2.93 -0.65 5.51 0.00 -1.26 -0.75 121.76 127.02 1h6r s ALA 154 Ca 0.04 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1h6r s ALA 154 Cb -0.06 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.01 1h6r s ALA 154 CO 0.00 -0.21 0.44 0.34 0.00 0.00 0.00 175.76 176.33 1h6r s ASP 155 N -2.21 4.48 0.31 0.00 -1.08 0.12 -4.73 116.67 113.56 1h6r s ASP 155 Ca 0.65 -3.63 0.05 0.00 -0.52 0.00 0.00 52.55 49.10 1h6r s ASP 155 Cb -0.13 -1.54 0.68 0.00 -1.46 0.00 0.00 42.92 40.48 1h6r s ASP 155 CO 0.20 -0.12 1.84 0.11 0.52 0.00 0.00 175.17 177.72 1h6r h LYS 156 N 5.64 0.82 0.00 4.34 1.57 -1.95 -0.81 116.57 126.17 1h6r h LYS 156 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1h6r h LYS 156 Cb 0.79 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1h6r h LYS 156 CO 0.68 0.54 -0.02 1.96 -0.57 0.00 0.00 179.45 182.04 1h6r h GLN 157 N 0.85 0.00 -0.02 3.15 4.20 -1.94 -2.03 115.11 119.32 1h6r h GLN 157 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1h6r h GLN 157 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1h6r h GLN 157 CO -0.26 0.02 -0.03 1.63 -0.67 0.00 0.00 178.83 179.52 1h6r n LYS 158 N -3.13 1.65 -3.53 1.46 4.76 -0.58 -4.96 118.16 113.84 1h6r n LYS 158 Ca 0.00 -1.58 -0.26 0.00 -2.87 0.00 0.00 58.31 53.61 1h6r n LYS 158 Cb 0.31 -1.37 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 1h6r n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1h6r n ASN 159 N 0.99 -5.41 0.00 4.39 5.15 -0.42 -4.65 115.26 115.31 1h6r n ASN 159 Ca 0.11 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 1h6r n ASN 159 Cb 0.47 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 1h6r n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h6r n GLY 160 N -1.66 4.45 3.25 8.20 0.00 -0.82 -4.29 105.19 114.32 1h6r n GLY 160 Ca -0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1h6r n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h6r s ILE 161 N 0.21 0.92 0.07 -0.61 -5.25 -0.93 0.14 121.20 115.75 1h6r s ILE 161 Ca 0.00 -2.01 0.04 0.00 -0.99 0.00 0.00 60.65 57.69 1h6r s ILE 161 Cb 0.00 -2.01 -0.03 0.00 2.95 0.00 0.00 42.46 43.37 1h6r s ILE 161 CO 0.00 -0.60 -0.12 -0.54 -1.79 0.00 0.00 174.94 171.89 1h6r s LYS 162 N -3.83 0.74 -0.15 0.37 1.02 0.07 -1.34 119.74 116.62 1h6r s LYS 162 Ca 0.21 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1h6r s LYS 162 Cb 0.05 -0.67 0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1h6r s LYS 162 CO 0.02 0.14 0.38 0.08 -0.92 0.00 0.00 175.35 175.05 1h6r s VAL 163 N -1.37 -0.01 -0.08 3.17 1.01 -0.20 -2.26 120.40 120.67 1h6r s VAL 163 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1h6r s VAL 163 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1h6r s VAL 163 CO 0.02 0.02 -0.12 0.20 0.00 0.00 0.00 175.10 175.22 1h6r s ASN 164 N 0.81 1.88 0.23 3.32 0.02 -1.26 0.30 114.94 120.24 1h6r s ASN 164 Ca -0.05 -0.31 -0.19 0.00 -1.02 0.00 0.00 52.86 51.30 1h6r s ASN 164 Cb -0.06 -0.84 0.02 0.00 0.02 0.00 0.00 41.25 40.39 1h6r s ASN 164 CO -0.06 0.01 0.59 0.72 0.02 0.00 0.00 177.10 178.38 1h6r s PHE 165 N 0.85 -0.11 0.00 2.20 -0.12 -0.48 -4.62 117.98 115.70 1h6r s PHE 165 Ca -0.11 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1h6r s PHE 165 Cb -0.15 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1h6r s PHE 165 CO 0.01 -1.04 -0.23 0.15 -0.05 0.00 0.00 175.22 174.06 1h6r s LYS 166 N -3.90 2.07 -0.11 1.99 1.02 -1.26 0.28 119.74 119.83 1h6r s LYS 166 Ca 0.11 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1h6r s LYS 166 Cb -0.03 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1h6r s LYS 166 CO 0.02 0.55 -0.03 0.42 -0.92 0.00 0.00 175.35 175.39 1h6r s ILE 167 N -0.72 4.02 -0.37 2.17 -1.09 -0.07 -4.94 121.20 120.19 1h6r s ILE 167 Ca 0.11 -0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 1h6r s ILE 167 Cb -0.10 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1h6r s ILE 167 CO 0.01 0.56 0.23 -0.13 -1.23 0.00 0.00 174.94 174.37 1h6r s ARG 168 N -0.35 3.08 -0.28 2.79 0.52 -1.26 -0.87 118.95 122.57 1h6r s ARG 168 Ca 0.06 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1h6r s ARG 168 Cb -0.12 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 1h6r s ARG 168 CO 0.02 -0.62 0.30 -1.01 0.02 0.00 0.00 175.30 174.02 1h6r s HIS 169 N 1.63 3.23 0.24 -0.53 3.76 0.19 -4.51 115.29 119.30 1h6r s HIS 169 Ca 0.04 0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.90 1h6r s HIS 169 Cb -0.18 -2.51 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 1h6r s HIS 169 CO 0.08 -0.23 1.37 -0.80 -0.85 0.00 0.00 174.74 174.31 1h6r s ASN 170 N 1.69 6.77 0.08 1.40 0.01 -1.26 -0.16 114.94 123.47 1h6r s ASN 170 Ca 0.12 2.56 0.02 0.00 -0.71 0.00 0.00 52.86 54.85 1h6r s ASN 170 Cb -0.16 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 1h6r s ASN 170 CO 0.11 -0.61 0.15 -0.63 -1.51 0.00 0.00 177.10 174.61 1h6r s ILE 171 N -0.12 4.92 0.53 0.60 1.01 0.63 -0.85 121.20 127.91 1h6r s ILE 171 Ca 0.57 -0.63 0.18 0.00 0.00 0.00 0.00 60.65 60.77 1h6r s ILE 171 Cb -0.39 -3.40 0.29 0.00 0.01 0.00 0.00 42.46 38.97 1h6r s ILE 171 CO 0.43 0.10 2.13 1.05 0.00 0.00 0.00 174.94 178.65 1h6r h GLU 172 N 3.08 0.00 0.00 2.79 4.11 -1.76 -0.82 114.58 121.99 1h6r h GLU 172 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1h6r h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1h6r h GLU 172 CO 0.70 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.38 1h6r n ASP 173 N -4.46 0.00 0.00 3.06 3.85 -1.26 -4.86 116.55 112.88 1h6r n ASP 173 Ca -0.01 -0.68 0.00 0.00 -0.71 0.00 0.00 54.79 53.39 1h6r n ASP 173 Cb 0.16 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1h6r n ASP 173 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h6r n GLY 174 N 0.91 0.65 2.03 6.12 0.00 -0.31 -5.07 105.19 109.52 1h6r n GLY 174 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1h6r n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h6r n SER 175 N 0.00 0.36 -4.08 1.61 3.41 -1.25 -4.80 113.62 108.87 1h6r n SER 175 Ca 0.00 -1.42 -0.19 0.00 -0.26 0.00 0.00 58.87 57.00 1h6r n SER 175 Cb 0.00 -0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 63.37 1h6r n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1h6r s VAL 176 N -2.04 0.90 -0.30 -3.33 1.01 -1.26 -0.27 120.40 115.11 1h6r s VAL 176 Ca 0.37 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1h6r s VAL 176 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1h6r s VAL 176 CO 0.26 0.10 0.14 -1.58 0.00 0.00 0.00 175.10 174.02 1h6r s GLN 177 N -0.67 3.47 0.21 2.72 2.00 0.77 -4.91 119.66 123.25 1h6r s GLN 177 Ca 0.02 -0.63 -0.23 0.00 -2.00 0.00 0.00 55.36 52.52 1h6r s GLN 177 Cb -0.06 -3.54 -0.08 0.00 0.80 0.00 0.00 33.01 30.13 1h6r s GLN 177 CO 0.00 -0.35 0.78 -0.51 -0.50 0.00 0.00 175.29 174.71 1h6r s LEU 178 N 1.64 4.47 -0.25 3.68 2.01 -1.26 -0.64 118.68 128.32 1h6r s LEU 178 Ca 0.05 1.59 -0.01 0.00 0.01 0.00 0.00 54.13 55.76 1h6r s LEU 178 Cb -0.17 -3.50 0.08 0.00 0.01 0.00 0.00 46.19 42.61 1h6r s LEU 178 CO 0.06 0.11 0.05 0.00 1.01 0.00 0.00 176.35 177.58 1h6r s ALA 179 N -1.35 1.36 -0.37 4.21 0.00 -0.05 -1.37 121.76 124.18 1h6r s ALA 179 Ca 0.40 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 1h6r s ALA 179 Cb -0.20 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1h6r s ALA 179 CO 0.24 -1.40 0.84 0.34 0.00 0.00 0.00 175.76 175.78 1h6r s ASP 180 N 1.70 6.59 -0.18 0.00 2.15 0.70 -0.89 116.67 126.73 1h6r s ASP 180 Ca 0.03 0.40 -0.12 0.00 0.43 0.00 0.00 52.55 53.29 1h6r s ASP 180 Cb -0.17 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 1h6r s ASP 180 CO -0.16 -0.79 0.23 -1.00 -0.17 0.00 0.00 175.17 173.28 1h6r s HIS 181 N 3.26 3.44 -0.17 -5.34 3.76 0.14 -0.48 115.29 119.90 1h6r s HIS 181 Ca 0.34 0.48 0.01 0.00 -0.15 0.00 0.00 55.06 55.74 1h6r s HIS 181 Cb -0.13 -2.27 0.02 0.00 1.11 0.00 0.00 32.58 31.31 1h6r s HIS 181 CO 0.18 0.25 -0.18 0.71 -0.85 0.00 0.00 174.74 174.85 1h6r s TYR 182 N 0.46 2.56 0.01 1.40 1.51 -0.20 -1.38 117.35 121.70 1h6r s TYR 182 Ca 0.13 -1.50 0.05 0.00 -1.01 0.00 0.00 57.07 54.75 1h6r s TYR 182 Cb -0.12 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1h6r s TYR 182 CO 0.02 -0.76 -0.16 -1.14 -1.11 0.00 0.00 175.55 172.40 1h6r s GLN 183 N 1.36 1.17 -0.02 -0.62 0.74 0.15 -1.44 119.66 120.99 1h6r s GLN 183 Ca 0.05 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.82 1h6r s GLN 183 Cb -0.13 -1.16 0.01 0.00 1.10 0.00 0.00 33.01 32.83 1h6r s GLN 183 CO -0.12 0.31 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.76 1h6r s GLN 184 N -0.66 0.37 -0.07 1.67 2.00 -0.36 -1.03 119.66 121.58 1h6r s GLN 184 Ca 0.05 -0.06 0.03 0.00 -2.00 0.00 0.00 55.36 53.38 1h6r s GLN 184 Cb -0.07 -0.42 0.00 0.00 0.80 0.00 0.00 33.01 33.33 1h6r s GLN 184 CO 0.00 -0.01 -0.17 -0.80 -0.50 0.00 0.00 175.29 173.81 1h6r s ASN 185 N 0.39 2.26 -0.02 6.67 -0.87 -0.45 -0.52 114.94 122.40 1h6r s ASN 185 Ca -0.04 -0.39 0.03 0.00 -1.57 0.00 0.00 52.86 50.90 1h6r s ASN 185 Cb -0.07 -0.90 -0.00 0.00 -0.02 0.00 0.00 41.25 40.25 1h6r s ASN 185 CO -0.01 0.11 -0.12 -0.89 -2.57 0.00 0.00 177.10 173.62 1h6r s THR 186 N 0.36 0.98 0.63 1.60 2.01 -0.44 -2.19 115.64 118.59 1h6r s THR 186 Ca -0.12 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 1h6r s THR 186 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1h6r s THR 186 CO 0.05 0.29 1.15 -2.84 -0.69 0.00 0.00 174.62 172.57 1h6r s PRO 187 N -0.10 2.87 -0.07 4.92 0.02 -1.26 -0.45 135.00 140.93 1h6r s PRO 187 Ca 0.01 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 62.46 1h6r s PRO 187 Cb -0.07 -1.94 -0.30 0.00 0.02 0.00 0.00 34.50 32.21 1h6r s PRO 187 CO 0.00 -1.23 0.70 0.82 -0.33 0.00 0.00 177.00 176.96 1h6r h ILE 188 N 0.45 1.16 -3.31 2.83 2.04 -1.29 -3.44 117.51 115.95 1h6r h ILE 188 Ca -0.48 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 62.86 1h6r h ILE 188 Cb 1.27 2.87 0.01 0.00 -0.74 0.00 0.00 36.82 40.23 1h6r h ILE 188 CO 0.54 0.74 0.01 0.61 0.00 0.00 0.00 178.15 180.05 1h6r n GLY 189 N 1.74 0.54 0.97 5.37 0.00 -1.26 -5.01 105.19 107.54 1h6r n GLY 189 Ca -0.21 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 43.95 1h6r n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h6r n ASP 190 N -3.00 3.84 -4.18 1.61 3.85 -1.26 -5.01 116.55 112.40 1h6r n ASP 190 Ca 0.02 -2.65 -0.30 0.00 -0.71 0.00 0.00 54.79 51.15 1h6r n ASP 190 Cb 0.05 -0.47 0.19 0.00 -1.35 0.00 0.00 41.12 39.54 1h6r n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1h6r s GLY 191 N -1.46 1.68 0.45 6.12 0.00 -1.26 -5.01 107.32 107.85 1h6r s GLY 191 Ca 0.39 -1.00 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 1h6r s GLY 191 CO 0.13 -0.25 1.11 2.56 0.00 0.00 0.00 173.10 176.66 1h6r s PRO 192 N -5.65 3.85 0.05 2.90 0.04 -1.26 -5.04 135.00 129.89 1h6r s PRO 192 Ca 0.71 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.39 1h6r s PRO 192 Cb -0.07 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1h6r s PRO 192 CO 0.54 -0.44 -0.06 0.14 0.04 0.00 0.00 177.00 177.22 1h6r s VAL 193 N -1.65 0.47 -0.35 -0.36 -7.23 -1.26 -4.65 120.40 105.37 1h6r s VAL 193 Ca 0.63 -1.24 -0.22 0.00 -1.81 0.00 0.00 61.98 59.34 1h6r s VAL 193 Cb -0.25 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 35.91 1h6r s VAL 193 CO 0.30 -0.53 0.71 -0.76 -0.31 0.00 0.00 175.10 174.51 1h6r s LEU 194 N -1.89 4.18 -0.20 1.32 1.43 -1.26 -5.03 118.68 117.23 1h6r s LEU 194 Ca -0.06 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.15 1h6r s LEU 194 Cb -0.06 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1h6r s LEU 194 CO -0.01 -0.65 0.44 -0.76 0.23 0.00 0.00 176.35 175.59 1h6r s LEU 195 N 2.89 4.15 0.52 1.79 1.43 -1.26 -3.49 118.68 124.71 1h6r s LEU 195 Ca 0.28 0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 53.85 1h6r s LEU 195 Cb -0.14 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1h6r s LEU 195 CO 0.15 -0.12 0.89 -2.16 0.23 0.00 0.00 176.35 175.34 1h6r s PRO 196 N 1.47 3.63 0.65 1.29 0.04 -1.26 -4.88 135.00 135.94 1h6r s PRO 196 Ca 0.21 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1h6r s PRO 196 Cb -0.15 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1h6r s PRO 196 CO 0.09 -0.31 1.05 -0.51 0.04 0.00 0.00 177.00 177.35 1h6r s ASP 197 N -3.90 5.69 0.31 6.66 1.01 -1.26 -4.04 116.67 121.15 1h6r s ASP 197 Ca 0.52 1.62 -0.29 0.00 0.71 0.00 0.00 52.55 55.11 1h6r s ASP 197 Cb -0.11 -2.50 -0.12 0.00 1.01 0.00 0.00 42.92 41.20 1h6r s ASP 197 CO 0.45 -1.23 1.35 0.59 0.21 0.00 0.00 175.17 176.54 1h6r n ASN 198 N -2.74 2.86 -1.11 0.27 3.02 -1.26 -4.83 115.26 111.47 1h6r n ASN 198 Ca 0.07 1.19 -0.01 0.00 -0.03 0.00 0.00 54.58 55.81 1h6r n ASN 198 Cb 0.53 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1h6r n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h6r n HIS 199 N 0.89 -1.09 -4.50 3.10 1.44 -0.70 -4.82 115.22 109.54 1h6r n HIS 199 Ca 0.07 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.38 1h6r n HIS 199 Cb 0.35 0.06 -0.13 0.00 0.12 0.00 0.00 29.99 30.39 1h6r n HIS 199 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1h6r s TYR 200 N -8.55 2.16 -0.15 -1.40 1.51 -0.27 -0.35 117.35 110.30 1h6r s TYR 200 Ca 0.01 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1h6r s TYR 200 Cb -0.00 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1h6r s TYR 200 CO 0.01 0.25 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.99 1h6r s LEU 201 N -1.79 2.25 -0.16 -1.29 1.43 -0.30 -0.87 118.68 117.97 1h6r s LEU 201 Ca 0.11 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1h6r s LEU 201 Cb -0.10 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1h6r s LEU 201 CO 0.04 0.07 -0.04 0.00 0.23 0.00 0.00 176.35 176.66 1h6r s TYR 203 N 0.36 2.91 -0.03 0.00 1.51 0.44 -1.14 117.35 121.39 1h6r s TYR 203 Ca -0.04 -0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1h6r s TYR 203 Cb -0.14 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 1h6r s TYR 203 CO 0.03 0.39 0.03 -0.65 -1.11 0.00 0.00 175.55 174.24 1h6r s GLN 204 N -1.48 0.09 0.02 -0.62 -0.21 -0.61 -2.30 119.66 114.55 1h6r s GLN 204 Ca 0.18 0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.80 1h6r s GLN 204 Cb -0.11 -0.47 -0.02 0.00 1.00 0.00 0.00 33.01 33.41 1h6r s GLN 204 CO 0.08 -0.23 -0.07 -1.12 -2.12 0.00 0.00 175.29 171.83 1h6r s SER 205 N 1.54 0.76 -0.03 5.90 0.01 -1.26 -0.76 113.70 119.87 1h6r s SER 205 Ca -0.03 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1h6r s SER 205 Cb -0.13 -0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1h6r s SER 205 CO -0.03 -0.10 -0.05 0.00 0.41 0.00 0.00 173.24 173.47 1h6r s ALA 206 N -0.90 0.63 -0.09 1.44 0.00 0.05 -4.57 121.76 118.31 1h6r s ALA 206 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1h6r s ALA 206 Cb -0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1h6r s ALA 206 CO 0.00 0.03 0.04 -0.51 0.00 0.00 0.00 175.76 175.33 1h6r s LEU 207 N 0.64 3.82 0.00 0.00 1.43 -1.26 -1.31 118.68 121.99 1h6r s LEU 207 Ca -0.08 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1h6r s LEU 207 Cb -0.12 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1h6r s LEU 207 CO 0.00 0.38 0.44 -1.54 0.23 0.00 0.00 176.35 175.86 1h6r n SER 208 N 2.03 -1.24 -4.30 2.29 3.41 0.09 -4.92 113.62 110.97 1h6r n SER 208 Ca -0.19 -2.41 -0.24 0.00 -0.26 0.00 0.00 58.87 55.78 1h6r n SER 208 Cb 0.54 2.23 -0.12 0.00 -0.26 0.00 0.00 64.21 66.60 1h6r n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1h6r s LYS 209 N -2.48 1.16 -0.23 4.33 -0.14 -1.26 -1.42 119.74 119.70 1h6r s LYS 209 Ca 0.20 -1.22 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1h6r s LYS 209 Cb -0.02 -1.38 0.01 0.00 -1.68 0.00 0.00 37.83 34.76 1h6r s LYS 209 CO 0.14 0.31 0.99 0.34 -0.76 0.00 0.00 175.35 176.37 1h6r s ASP 210 N -2.07 7.04 0.55 2.83 -1.08 -1.26 -4.93 116.67 117.74 1h6r s ASP 210 Ca 0.08 1.30 0.32 0.00 -0.52 0.00 0.00 52.55 53.73 1h6r s ASP 210 Cb -0.09 -2.51 1.48 0.00 -1.46 0.00 0.00 42.92 40.33 1h6r s ASP 210 CO 0.05 -0.63 1.84 1.55 0.52 0.00 0.00 175.17 178.50 1h6r h PRO 211 N 7.50 0.00 -0.13 4.34 0.13 -2.05 -2.22 132.00 139.57 1h6r h PRO 211 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1h6r h PRO 211 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h6r h PRO 211 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1h6r n ASN 212 N -4.08 2.36 -4.66 1.44 3.02 -1.26 -4.97 115.26 107.10 1h6r n ASN 212 Ca 0.18 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 1h6r n ASN 212 Cb 1.00 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 1h6r n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1h6r s GLU 213 N -1.04 4.28 0.19 3.52 2.56 -0.84 -4.93 118.70 122.44 1h6r s GLU 213 Ca 0.18 1.25 0.23 0.00 0.00 0.00 0.00 54.97 56.64 1h6r s GLU 213 Cb 0.12 -3.61 0.09 0.00 2.00 0.00 0.00 34.13 32.72 1h6r s GLU 213 CO 0.17 -0.51 1.12 0.87 -0.56 0.00 0.00 175.26 176.35 1h6r h LYS 214 N 7.40 0.00 -7.26 4.30 1.79 -1.93 -3.47 116.57 117.40 1h6r h LYS 214 Ca -0.23 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.73 1h6r h LYS 214 Cb 1.09 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.79 1h6r h LYS 214 CO 0.92 0.00 0.35 1.03 -1.08 0.00 0.00 179.45 180.67 1h6r s ARG 215 N -3.31 3.61 0.07 3.15 0.52 -1.26 -4.99 118.95 116.74 1h6r s ARG 215 Ca 0.01 0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 55.56 1h6r s ARG 215 Cb 0.10 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.35 1h6r s ARG 215 CO 0.77 -0.47 1.53 0.34 0.02 0.00 0.00 175.30 177.49 1h6r s ASP 216 N -4.08 6.71 0.31 0.23 3.68 -1.26 -4.95 116.67 117.31 1h6r s ASP 216 Ca 0.54 2.36 -0.19 0.00 2.13 0.00 0.00 52.55 57.39 1h6r s ASP 216 Cb -0.11 -2.57 0.03 0.00 -1.45 0.00 0.00 42.92 38.82 1h6r s ASP 216 CO 0.50 -0.79 0.73 -1.38 0.13 0.00 0.00 175.17 174.36 1h6r s HIS 217 N 2.17 -0.06 -0.08 -5.34 -3.43 -1.26 -2.12 115.29 105.17 1h6r s HIS 217 Ca 0.69 -0.46 -0.05 0.00 -0.80 0.00 0.00 55.06 54.44 1h6r s HIS 217 Cb -0.37 0.73 0.03 0.00 -1.43 0.00 0.00 32.58 31.54 1h6r s HIS 217 CO 0.30 -1.34 0.19 1.41 -2.00 0.00 0.00 174.74 173.31 1h6r s MET 218 N -3.40 0.17 -0.16 -0.38 0.00 -0.19 -4.98 119.30 110.36 1h6r s MET 218 Ca 0.13 0.39 -0.06 0.00 0.00 0.00 0.00 55.69 56.16 1h6r s MET 218 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.67 1h6r s MET 218 CO 0.09 -0.12 0.03 0.08 0.00 0.00 0.00 175.02 175.09 1h6r s VAL 219 N 0.87 4.48 -0.07 10.11 1.01 -0.51 -0.23 120.40 136.06 1h6r s VAL 219 Ca -0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1h6r s VAL 219 Cb -0.08 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1h6r s VAL 219 CO -0.05 0.49 -0.20 -0.22 0.00 0.00 0.00 175.10 175.12 1h6r s LEU 220 N 0.23 1.95 -0.14 3.92 2.96 0.81 -0.73 118.68 127.67 1h6r s LEU 220 Ca 0.02 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1h6r s LEU 220 Cb -0.13 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1h6r s LEU 220 CO 0.01 0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.77 1h6r s LEU 221 N 0.20 2.04 -0.00 -0.68 2.96 -0.43 -0.99 118.68 121.77 1h6r s LEU 221 Ca -0.10 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1h6r s LEU 221 Cb -0.15 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 1h6r s LEU 221 CO 0.05 0.05 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.38 1h6r s GLU 222 N 0.97 0.37 -0.10 1.98 2.12 -0.21 -0.77 118.70 123.06 1h6r s GLU 222 Ca -0.04 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.18 1h6r s GLU 222 Cb -0.15 -0.37 -0.00 0.00 0.26 0.00 0.00 34.13 33.87 1h6r s GLU 222 CO -0.05 0.09 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.47 1h6r s PHE 223 N -0.05 2.56 -0.06 5.30 0.08 0.06 -0.47 117.98 125.40 1h6r s PHE 223 Ca 0.01 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.12 1h6r s PHE 223 Cb -0.02 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1h6r s PHE 223 CO -0.00 -0.36 -0.09 0.08 -0.10 0.00 0.00 175.22 174.74 1h6r s VAL 224 N 0.25 0.92 -0.04 -0.44 1.01 0.57 -1.57 120.40 121.10 1h6r s VAL 224 Ca -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1h6r s VAL 224 Cb -0.17 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1h6r s VAL 224 CO 0.08 0.31 -0.05 -0.89 0.00 0.00 0.00 175.10 174.55 1h6r s THR 225 N 0.88 0.56 0.36 3.92 2.01 -0.30 -0.77 115.64 122.31 1h6r s THR 225 Ca -0.11 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 1h6r s THR 225 Cb -0.15 -0.57 -0.10 0.00 0.01 0.00 0.00 72.50 71.70 1h6r s THR 225 CO 0.01 0.22 0.84 0.00 -0.69 0.00 0.00 174.62 175.00 1h6r s ALA 226 N 0.75 3.20 0.33 7.40 0.00 -0.33 -0.43 121.76 132.68 1h6r s ALA 226 Ca -0.10 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1h6r s ALA 226 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.07 1h6r s ALA 226 CO 0.00 0.24 0.73 0.00 0.00 0.00 0.00 175.76 176.73 1h6r s ALA 227 N -2.03 -0.86 0.00 0.00 0.00 -0.05 -4.54 121.76 114.28 1h6r s ALA 227 Ca 0.57 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1h6r s ALA 227 Cb -0.10 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1h6r s ALA 227 CO 0.16 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1h6r n GLY 228 N -0.49 0.73 3.74 0.00 0.00 -1.26 -1.11 105.19 106.80 1h6r n GLY 228 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1h6r n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h6r s ILE 229 N -2.10 4.98 0.39 -0.61 -1.09 -1.26 -4.92 121.20 116.59 1h6r s ILE 229 Ca 0.00 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.19 1h6r s ILE 229 Cb 0.00 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.61 1h6r s ILE 229 CO 0.00 0.55 1.08 0.42 -1.23 0.00 0.00 174.94 175.76 1h6r s THR 230 N -0.44 3.56 0.86 2.92 -4.23 -1.26 -5.01 115.64 112.04 1h6r s THR 230 Ca 0.10 1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.77 1h6r s THR 230 Cb -0.12 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1h6r s THR 230 CO 0.02 0.07 1.13 -1.00 -0.54 0.00 0.00 174.62 174.30 1h6r s HIS 231 N -1.54 1.97 0.00 3.99 3.76 -1.26 -5.02 115.29 117.18 1h6r s HIS 231 Ca 0.56 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 57.18 1h6r s HIS 231 Cb -0.25 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.19 1h6r s HIS 231 CO 0.32 -2.45 0.00 0.41 -0.85 0.00 0.00 174.74 172.17