#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hss s LEU -11 N 0.00 4.20 0.01 3.41 1.43 -1.25 -5.02 118.68 121.45 3hss s LEU -11 Ca 0.00 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 53.92 3hss s LEU -11 Cb 0.00 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 3hss s LEU -11 CO 0.00 -0.04 0.10 -0.31 0.23 0.00 0.00 176.35 176.33 3hss s TYR -10 N -1.76 0.09 0.17 0.29 1.51 -1.26 -1.46 117.35 114.93 3hss s TYR -10 Ca 0.46 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.34 3hss s TYR -10 Cb -0.12 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 3hss s TYR -10 CO 0.21 -0.27 -0.13 -0.59 -1.11 0.00 0.00 175.55 173.66 3hss s PHE -9 N -1.46 1.51 -0.21 2.71 -0.71 -0.38 -4.92 117.98 114.52 3hss s PHE -9 Ca -0.15 -0.63 -0.29 0.00 -1.04 0.00 0.00 56.93 54.83 3hss s PHE -9 Cb -0.08 -0.74 0.01 0.00 -1.21 0.00 0.00 43.02 41.00 3hss s PHE -9 CO 0.01 0.23 1.02 -1.14 -1.34 0.00 0.00 175.22 174.00 3hss s GLN -8 N -3.47 4.28 0.90 1.99 0.74 -1.26 -0.99 119.66 121.84 3hss s GLN -8 Ca 0.18 1.34 -0.12 0.00 0.05 0.00 0.00 55.36 56.80 3hss s GLN -8 Cb -0.01 -3.63 0.13 0.00 1.10 0.00 0.00 33.01 30.61 3hss s GLN -8 CO 0.04 -0.58 1.15 0.20 -0.55 0.00 0.00 175.29 175.55 3hss s GLY -7 N 1.19 1.58 0.81 2.59 0.00 0.30 -4.80 107.32 109.00 3hss s GLY -7 Ca 0.44 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 44.49 3hss s GLY -7 CO 0.08 -0.01 1.11 0.00 0.00 0.00 0.00 173.10 174.27 3hss s ALA -6 N -3.34 2.05 0.20 3.20 0.00 -1.26 -4.56 121.76 118.04 3hss s ALA -6 Ca 0.64 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 3hss s ALA -6 Cb -0.14 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3hss s ALA -6 CO 0.53 -2.03 1.32 1.41 0.00 0.00 0.00 175.76 176.98 3hss s MET -5 N -4.83 4.38 0.68 0.00 1.75 -1.26 -4.50 119.30 115.52 3hss s MET -5 Ca 0.63 2.07 -0.03 0.00 -1.25 0.00 0.00 55.69 57.10 3hss s MET -5 Cb -0.19 -3.19 0.08 0.00 2.84 0.00 0.00 34.83 34.37 3hss s MET -5 CO 0.56 -0.27 0.95 0.16 -0.65 0.00 0.00 175.02 175.78 3hss s ASP -4 N 0.37 4.69 0.00 1.11 1.47 -0.11 -4.91 116.67 119.29 3hss s ASP -4 Ca 0.57 0.03 0.15 0.00 1.18 0.00 0.00 52.55 54.48 3hss s ASP -4 Cb -0.37 -0.63 0.74 0.00 -0.34 0.00 0.00 42.92 42.32 3hss s ASP -4 CO 0.38 -1.62 1.41 -2.65 0.68 0.00 0.00 175.17 173.37 3hss n PRO -3 N -2.77 0.20 -0.59 2.11 -0.02 -1.26 -0.55 135.00 132.12 3hss n PRO -3 Ca 0.11 0.15 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 3hss n PRO -3 Cb 0.60 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.91 3hss n PRO -3 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hss n GLU -2 N -1.30 3.72 -1.53 -0.52 4.71 -1.26 -4.97 120.64 119.48 3hss n GLU -2 Ca 0.07 -2.85 -0.10 0.00 -0.01 0.00 0.00 57.16 54.27 3hss n GLU -2 Cb 0.12 -1.88 -0.03 0.00 -1.01 0.00 0.00 31.44 28.63 3hss n GLU -2 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3hss n PHE -1 N 0.72 -0.13 -4.04 -0.32 3.72 0.29 -5.01 117.46 112.69 3hss n PHE -1 Ca 0.24 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.30 3hss n PHE -1 Cb 0.90 -2.08 -0.06 0.00 -0.94 0.00 0.00 39.48 37.29 3hss n PHE -1 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hss s ARG 0 N -3.29 3.22 -0.15 -1.08 0.52 -1.26 -4.85 118.95 112.05 3hss s ARG 0 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3hss s ARG 0 Cb 0.00 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 3hss s ARG 0 CO 0.00 0.68 -0.16 0.08 0.02 0.00 0.00 175.30 175.93 3hss s VAL 1 N -1.17 2.63 0.30 3.52 1.01 -1.26 -0.93 120.40 124.50 3hss s VAL 1 Ca 0.22 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3hss s VAL 1 Cb -0.12 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 3hss s VAL 1 CO 0.13 0.52 -0.09 0.27 0.00 0.00 0.00 175.10 175.92 3hss s ILE 2 N 0.81 1.97 0.06 2.22 -4.36 -1.26 -5.02 121.20 115.61 3hss s ILE 2 Ca -0.05 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 58.13 3hss s ILE 2 Cb -0.15 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 3hss s ILE 2 CO -0.00 -0.28 0.24 0.20 0.24 0.00 0.00 174.94 175.34 3hss s ASN 3 N -3.51 6.40 -0.05 4.36 0.01 -1.26 -0.54 114.94 120.35 3hss s ASN 3 Ca 0.30 0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.88 3hss s ASN 3 Cb 0.02 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 3hss s ASN 3 CO 0.14 0.17 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.92 3hss s LEU 4 N -2.38 2.00 0.26 0.60 1.43 -0.16 -4.86 118.68 115.57 3hss s LEU 4 Ca 0.34 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3hss s LEU 4 Cb -0.13 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.81 3hss s LEU 4 CO 0.25 0.20 1.11 0.00 0.23 0.00 0.00 176.35 178.14 3hss s ALA 5 N -0.06 3.41 0.18 4.21 0.00 -1.26 -1.25 121.76 126.98 3hss s ALA 5 Ca -0.04 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 3hss s ALA 5 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3hss s ALA 5 CO 0.03 -0.20 0.09 1.52 0.00 0.00 0.00 175.76 177.20 3hss s TYR 6 N -0.91 1.11 0.01 0.00 1.13 -0.53 -1.13 117.35 117.02 3hss s TYR 6 Ca 0.46 -1.27 0.04 0.00 -1.41 0.00 0.00 57.07 54.89 3hss s TYR 6 Cb -0.32 -0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 39.94 3hss s TYR 6 CO 0.40 -0.52 -0.12 0.34 -2.51 0.00 0.00 175.55 173.13 3hss s ASP 7 N -3.14 1.45 -0.15 -0.18 -1.08 0.16 -3.90 116.67 109.82 3hss s ASP 7 Ca 0.32 -0.31 -0.04 0.00 -0.52 0.00 0.00 52.55 52.00 3hss s ASP 7 Cb 0.07 -0.13 0.06 0.00 -1.46 0.00 0.00 42.92 41.46 3hss s ASP 7 CO 0.08 0.09 0.12 -0.62 0.52 0.00 0.00 175.17 175.36 3hss s ASP 8 N -0.62 1.86 -0.03 -0.34 -1.08 -1.26 -1.87 116.67 113.33 3hss s ASP 8 Ca 0.03 -0.36 0.03 0.00 -0.52 0.00 0.00 52.55 51.73 3hss s ASP 8 Cb -0.06 -0.05 -0.00 0.00 -1.46 0.00 0.00 42.92 41.35 3hss s ASP 8 CO 0.00 -0.32 -0.11 0.20 0.52 0.00 0.00 175.17 175.46 3hss s ASN 9 N 2.20 1.42 0.00 -0.34 0.01 -0.63 -5.00 114.94 112.60 3hss s ASN 9 Ca 0.03 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 3hss s ASN 9 Cb -0.15 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 41.17 3hss s ASN 9 CO -0.09 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 3hss n GLY 10 N 3.16 0.37 0.00 0.66 0.00 -1.26 -0.49 105.19 107.64 3hss n GLY 10 Ca -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3hss n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hss n THR 11 N 0.68 0.00 0.00 2.61 -2.24 -1.26 -4.78 114.28 109.29 3hss n THR 11 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hss n THR 11 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3hss n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hss n GLY 12 N 0.63 -0.05 3.69 3.38 0.00 -1.26 -4.85 105.19 106.72 3hss n GLY 12 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3hss n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hss s ASP 13 N -1.17 6.63 0.20 1.61 1.11 -1.08 -3.82 116.67 120.16 3hss s ASP 13 Ca 0.00 2.44 -0.30 0.00 0.18 0.00 0.00 52.55 54.87 3hss s ASP 13 Cb 0.00 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.34 3hss s ASP 13 CO 0.00 -0.87 1.23 -2.84 1.18 0.00 0.00 175.17 173.87 3hss s PRO 14 N 2.66 4.46 -0.09 8.23 0.02 -1.26 -0.49 135.00 148.53 3hss s PRO 14 Ca 0.73 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.70 3hss s PRO 14 Cb -0.39 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 30.93 3hss s PRO 14 CO 0.32 -0.14 -0.13 0.08 -0.33 0.00 0.00 177.00 176.80 3hss s VAL 15 N -0.06 1.28 -0.22 3.83 1.01 0.94 -3.16 120.40 124.02 3hss s VAL 15 Ca 0.54 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3hss s VAL 15 Cb -0.34 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3hss s VAL 15 CO 0.38 0.39 0.13 -0.69 0.00 0.00 0.00 175.10 175.31 3hss s VAL 16 N 0.92 5.18 -0.16 2.92 1.01 -0.20 -0.77 120.40 129.29 3hss s VAL 16 Ca -0.09 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3hss s VAL 16 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3hss s VAL 16 CO 0.00 0.39 0.10 -0.36 0.00 0.00 0.00 175.10 175.23 3hss s PHE 17 N 0.82 3.40 -0.23 5.22 0.08 -0.36 -0.92 117.98 126.00 3hss s PHE 17 Ca 0.07 0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.44 3hss s PHE 17 Cb -0.13 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3hss s PHE 17 CO 0.02 0.40 -0.10 0.42 -0.10 0.00 0.00 175.22 175.86 3hss s ILE 18 N -0.14 1.83 0.82 0.64 1.01 0.13 -4.42 121.20 121.07 3hss s ILE 18 Ca 0.09 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 3hss s ILE 18 Cb -0.12 -1.94 0.09 0.00 0.01 0.00 0.00 42.46 40.50 3hss s ILE 18 CO 0.01 0.06 1.09 0.00 0.00 0.00 0.00 174.94 176.10 3hss s ALA 19 N 1.29 2.04 0.84 9.38 0.00 -1.26 -2.31 121.76 131.74 3hss s ALA 19 Ca -0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 3hss s ALA 19 Cb -0.18 -3.14 0.14 0.00 0.00 0.00 0.00 23.12 19.94 3hss s ALA 19 CO -0.07 -1.91 0.89 0.41 0.00 0.00 0.00 175.76 175.08 3hss n GLY 20 N -1.75 -0.45 3.66 0.00 0.00 -1.16 -2.94 105.19 102.56 3hss n GLY 20 Ca 0.07 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 3hss n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hss n ARG 21 N -2.79 1.91 0.00 1.61 0.63 -1.26 -0.88 116.66 115.88 3hss n ARG 21 Ca 0.12 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3hss n ARG 21 Cb 0.44 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.03 3hss n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hss n GLY 22 N 2.23 2.76 3.75 5.14 0.00 -1.26 -5.01 105.19 112.80 3hss n GLY 22 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3hss n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hss s GLY 23 N -1.93 2.50 0.62 -0.02 0.00 -0.06 -4.99 107.32 103.44 3hss s GLY 23 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 3hss s GLY 23 CO 0.00 0.71 0.94 0.00 0.00 0.00 0.00 173.10 174.76 3hss s ALA 24 N 0.13 3.23 0.44 3.20 0.00 -1.26 -4.61 121.76 122.89 3hss s ALA 24 Ca 0.28 -0.70 0.16 0.00 0.00 0.00 0.00 51.96 51.71 3hss s ALA 24 Cb -0.17 -2.65 1.09 0.00 0.00 0.00 0.00 23.12 21.39 3hss s ALA 24 CO 0.14 -0.93 1.95 0.78 0.00 0.00 0.00 175.76 177.70 3hss h GLY 25 N -0.31 0.57 2.00 0.00 0.00 -1.75 -1.76 103.07 101.82 3hss h GLY 25 Ca -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3hss h GLY 25 CO 0.61 0.07 0.00 -2.13 0.00 0.00 0.00 176.54 175.09 3hss n ARG 26 N -4.46 0.14 0.31 4.80 0.63 -1.26 -2.12 116.66 114.69 3hss n ARG 26 Ca 0.12 0.57 0.19 0.00 -0.92 0.00 0.00 57.85 57.81 3hss n ARG 26 Cb 0.48 -1.91 0.97 0.00 0.45 0.00 0.00 32.46 32.45 3hss n ARG 26 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3hss h THR 27 N 0.00 0.15 0.00 5.15 1.35 -1.70 -1.78 112.91 116.08 3hss h THR 27 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3hss h THR 27 Cb 0.09 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3hss h THR 27 CO 0.00 0.02 -0.52 0.79 -0.25 0.00 0.00 175.52 175.56 3hss n TRP 28 N -3.25 0.39 0.09 4.73 7.02 -0.90 -4.33 117.44 121.18 3hss n TRP 28 Ca -0.02 0.11 -0.07 0.00 -1.02 0.00 0.00 57.50 56.51 3hss n TRP 28 Cb 0.16 -0.55 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 3hss n TRP 28 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3hss h HIS 29 N 0.00 0.18 -0.51 -5.99 3.86 -1.50 -0.64 115.15 110.55 3hss h HIS 29 Ca 0.00 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 3hss h HIS 29 Cb 0.66 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 3hss h HIS 29 CO 0.00 0.91 -0.07 -1.35 0.86 0.00 0.00 177.93 178.29 3hss h PRO 30 N 0.07 0.90 0.00 2.45 0.11 -1.75 -3.39 132.00 130.38 3hss h PRO 30 Ca -0.03 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hss h PRO 30 Cb 1.48 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3hss h PRO 30 CO 0.12 0.94 -0.96 0.72 -0.21 0.00 0.00 178.00 178.62 3hss n HIS 31 N -4.17 0.00 -0.11 0.65 8.25 -1.25 -4.84 115.22 113.75 3hss n HIS 31 Ca 0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.25 3hss n HIS 31 Cb 0.36 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 3hss n HIS 31 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3hss n GLN 32 N -1.95 0.56 -0.13 -0.41 3.00 -0.71 -4.35 117.38 113.39 3hss n GLN 32 Ca 0.00 0.43 -0.04 0.00 -0.01 0.00 0.00 57.00 57.38 3hss n GLN 32 Cb 0.48 -1.62 0.04 0.00 0.00 0.00 0.00 30.24 29.14 3hss n GLN 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3hss h VAL 33 N -1.00 0.72 -0.87 5.09 2.07 -1.35 -1.48 116.25 119.43 3hss h VAL 33 Ca -0.43 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hss h VAL 33 Cb 1.33 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3hss h VAL 33 CO -0.26 0.03 0.52 -0.65 0.02 0.00 0.00 177.57 177.23 3hss h PRO 34 N 0.16 1.17 -0.48 1.57 0.11 -1.81 -0.24 132.00 132.48 3hss h PRO 34 Ca 0.21 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 3hss h PRO 34 Cb 0.29 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3hss h PRO 34 CO -0.31 0.82 0.06 0.00 -0.21 0.00 0.00 178.00 178.35 3hss h ALA 35 N 1.38 0.64 -0.34 -0.75 0.00 -1.61 -1.56 119.26 117.02 3hss h ALA 35 Ca 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3hss h ALA 35 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hss h ALA 35 CO -0.06 0.39 -0.06 0.74 0.00 0.00 0.00 179.25 180.26 3hss h PHE 36 N 0.68 0.72 -0.88 0.00 0.04 -0.85 -1.77 116.94 114.87 3hss h PHE 36 Ca 0.14 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3hss h PHE 36 Cb 0.43 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 3hss h PHE 36 CO 0.03 0.80 0.58 -0.07 -0.60 0.00 0.00 178.31 179.05 3hss h LEU 37 N 0.44 0.99 -1.37 1.54 3.38 -1.03 -0.79 115.31 118.48 3hss h LEU 37 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hss h LEU 37 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hss h LEU 37 CO 0.03 0.71 -0.31 0.00 0.09 0.00 0.00 178.44 178.95 3hss h ALA 38 N 1.46 1.39 -0.22 1.53 0.00 -1.05 -1.77 119.26 120.60 3hss h ALA 38 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hss h ALA 38 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hss h ALA 38 CO -0.08 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3hss n ALA 39 N -2.44 2.49 -1.71 0.00 0.00 -0.69 -4.93 120.51 113.23 3hss n ALA 39 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 3hss n ALA 39 Cb 0.37 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 3hss n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hss n GLY 40 N 0.96 0.38 3.91 0.00 0.00 -0.66 -5.02 105.19 104.75 3hss n GLY 40 Ca 0.11 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3hss n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hss s TYR 41 N -2.15 3.48 -0.09 1.61 2.02 -0.37 -2.62 117.35 119.23 3hss s TYR 41 Ca 0.00 0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 57.02 3hss s TYR 41 Cb 0.00 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3hss s TYR 41 CO 0.00 0.44 0.37 0.50 -1.57 0.00 0.00 175.55 175.30 3hss s ARG 42 N -2.79 4.13 -0.21 -0.62 3.52 0.36 -3.99 118.95 119.34 3hss s ARG 42 Ca 0.40 0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 56.24 3hss s ARG 42 Cb -0.12 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3hss s ARG 42 CO 0.26 0.39 -0.02 0.00 -0.81 0.00 0.00 175.30 175.13 3hss s ILE 44 N 1.25 3.87 0.21 0.00 -1.09 0.05 -1.60 121.20 123.89 3hss s ILE 44 Ca 0.03 -0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.21 3hss s ILE 44 Cb -0.14 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 3hss s ILE 44 CO -0.00 0.40 -0.16 0.42 -1.23 0.00 0.00 174.94 174.37 3hss s THR 45 N 1.30 1.88 0.25 2.92 -4.23 -0.78 -1.22 115.64 115.77 3hss s THR 45 Ca 0.04 -2.20 -0.19 0.00 -1.18 0.00 0.00 61.69 58.16 3hss s THR 45 Cb -0.15 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.66 3hss s THR 45 CO 0.01 -0.52 0.63 0.72 -0.54 0.00 0.00 174.62 174.92 3hss s PHE 46 N -2.74 -0.08 -0.43 3.99 -0.71 -1.26 -0.67 117.98 116.09 3hss s PHE 46 Ca 0.23 -0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 55.63 3hss s PHE 46 Cb -0.02 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.36 3hss s PHE 46 CO 0.08 -1.12 0.35 -0.51 -1.34 0.00 0.00 175.22 172.69 3hss s ASP 47 N -2.93 6.13 0.49 1.98 1.01 -0.29 -1.90 116.67 121.17 3hss s ASP 47 Ca 0.13 -0.95 -0.21 0.00 0.71 0.00 0.00 52.55 52.22 3hss s ASP 47 Cb -0.04 -2.18 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 3hss s ASP 47 CO 0.05 -0.52 0.78 0.59 0.21 0.00 0.00 175.17 176.28 3hss n ASN 48 N 5.27 0.14 -4.60 0.27 3.02 -1.26 -4.43 115.26 113.66 3hss n ASN 48 Ca -0.11 0.89 -0.50 0.00 -0.03 0.00 0.00 54.58 54.84 3hss n ASN 48 Cb 0.46 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.32 3hss n ASN 48 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3hss n ARG 49 N -0.02 1.34 -0.25 3.52 0.63 -1.26 -1.35 116.66 119.28 3hss n ARG 49 Ca 0.11 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 3hss n ARG 49 Cb 0.43 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.25 3hss n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hss n GLY 50 N 2.43 0.65 3.34 5.14 0.00 -1.17 -4.94 105.19 110.64 3hss n GLY 50 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hss n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hss s ILE 51 N -2.43 2.19 0.00 -0.61 -1.09 -0.46 -3.84 121.20 114.96 3hss s ILE 51 Ca 0.00 -1.20 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 3hss s ILE 51 Cb 0.00 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 3hss s ILE 51 CO 0.00 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3hss n GLY 52 N 2.12 3.27 0.32 6.18 0.00 -1.26 -1.89 105.19 113.92 3hss n GLY 52 Ca -0.16 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 45.90 3hss n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hss h ALA 53 N -0.55 1.13 -0.48 4.61 0.00 -1.96 -1.27 119.26 120.74 3hss h ALA 53 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3hss h ALA 53 Cb 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 3hss h ALA 53 CO 0.00 0.02 0.08 0.25 0.00 0.00 0.00 179.25 179.60 3hss n THR 54 N -3.30 2.67 0.29 0.00 -2.24 -0.79 -4.72 114.28 106.19 3hss n THR 54 Ca -0.02 -2.46 0.18 0.00 -2.27 0.00 0.00 64.05 59.48 3hss n THR 54 Cb 0.12 -0.34 0.91 0.00 -2.10 0.00 0.00 70.33 68.92 3hss n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hss h GLU 55 N 1.16 0.00 -0.04 -0.78 4.11 -1.32 -0.88 114.58 116.83 3hss h GLU 55 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3hss h GLU 55 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3hss h GLU 55 CO 0.52 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.69 3hss n ASN 56 N -2.81 1.88 -4.77 3.06 3.02 -1.26 -0.79 115.26 113.59 3hss n ASN 56 Ca -0.02 -1.64 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 3hss n ASN 56 Cb 0.12 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 3hss n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hss s ALA 57 N -1.97 3.20 0.30 5.41 0.00 -0.34 -4.64 121.76 123.72 3hss s ALA 57 Ca 0.35 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 3hss s ALA 57 Cb 0.21 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3hss s ALA 57 CO 0.32 -1.07 0.52 -1.83 0.00 0.00 0.00 175.76 173.71 3hss s GLU 58 N -2.43 1.79 -0.48 0.00 -1.05 -1.26 -2.63 118.70 112.63 3hss s GLU 58 Ca 0.61 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 3hss s GLU 58 Cb -0.41 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3hss s GLU 58 CO 0.52 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 176.38 3hss n GLY 59 N -0.47 0.71 3.94 -3.83 0.00 -1.26 -5.01 105.19 99.27 3hss n GLY 59 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3hss n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hss s PHE 60 N -2.04 2.77 0.36 1.61 -0.71 -1.26 -4.33 117.98 114.38 3hss s PHE 60 Ca 0.00 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 55.50 3hss s PHE 60 Cb 0.00 -2.26 -0.03 0.00 -1.21 0.00 0.00 43.02 39.52 3hss s PHE 60 CO 0.00 -0.26 0.17 0.95 -1.34 0.00 0.00 175.22 174.74 3hss s THR 61 N -2.40 0.41 0.28 -4.49 -4.23 -1.26 -4.94 115.64 99.01 3hss s THR 61 Ca 0.51 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3hss s THR 61 Cb -0.07 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.61 3hss s THR 61 CO 0.30 0.00 1.80 0.74 -0.54 0.00 0.00 174.62 176.93 3hss h THR 62 N 2.00 0.83 -0.40 3.99 2.02 -1.92 -1.71 112.91 117.72 3hss h THR 62 Ca -0.33 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 3hss h THR 62 Cb 1.26 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3hss h THR 62 CO 0.52 0.16 -0.02 1.56 0.37 0.00 0.00 175.52 178.10 3hss h GLN 63 N 0.85 0.64 -0.79 6.66 7.50 -1.99 -0.65 115.11 127.34 3hss h GLN 63 Ca 0.51 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 59.46 3hss h GLN 63 Cb 0.62 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.04 3hss h GLN 63 CO -0.31 0.68 0.36 1.15 -1.50 0.00 0.00 178.83 179.21 3hss h THR 64 N 0.60 1.25 -0.07 -0.54 2.02 -1.71 -1.80 112.91 112.67 3hss h THR 64 Ca 0.12 -0.74 -0.19 0.00 0.77 0.00 0.00 66.41 66.38 3hss h THR 64 Cb 0.42 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hss h THR 64 CO 0.02 0.31 -0.74 0.24 0.37 0.00 0.00 175.52 175.71 3hss h MET 65 N 1.13 0.40 -0.46 6.66 2.86 -1.06 -0.04 114.93 124.43 3hss h MET 65 Ca 0.27 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hss h MET 65 Cb 0.15 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3hss h MET 65 CO -0.03 0.98 0.30 0.28 1.06 0.00 0.00 176.91 179.50 3hss h VAL 66 N 0.27 1.12 -0.28 -2.22 2.07 -1.03 -1.49 116.25 114.69 3hss h VAL 66 Ca -0.03 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3hss h VAL 66 Cb 1.32 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hss h VAL 66 CO 0.13 0.12 -0.32 0.00 0.02 0.00 0.00 177.57 177.52 3hss h ALA 67 N 1.16 0.93 -0.62 1.67 0.00 -1.07 -0.24 119.26 121.10 3hss h ALA 67 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hss h ALA 67 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hss h ALA 67 CO -0.04 0.61 0.40 -0.44 0.00 0.00 0.00 179.25 179.79 3hss h ASP 68 N 0.50 0.72 -0.43 0.00 3.32 -0.75 0.41 116.42 120.19 3hss h ASP 68 Ca 0.06 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3hss h ASP 68 Cb 0.79 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3hss h ASP 68 CO 0.06 0.53 -0.11 0.74 -1.72 0.00 0.00 179.24 178.75 3hss h THR 69 N 0.84 1.27 -0.74 0.35 2.02 -0.81 -0.58 112.91 115.26 3hss h THR 69 Ca 0.23 -1.22 0.05 0.00 0.77 0.00 0.00 66.41 66.24 3hss h THR 69 Cb -0.08 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3hss h THR 69 CO -0.05 0.41 0.44 0.00 0.37 0.00 0.00 175.52 176.70 3hss h ALA 70 N 0.86 0.99 -0.59 6.16 0.00 -0.83 -1.90 119.26 123.96 3hss h ALA 70 Ca 0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hss h ALA 70 Cb 0.65 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hss h ALA 70 CO 0.04 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.62 3hss h ALA 71 N 1.35 1.16 -0.27 0.00 0.00 -0.38 0.90 119.26 122.03 3hss h ALA 71 Ca 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hss h ALA 71 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hss h ALA 71 CO -0.16 0.57 0.13 1.25 0.00 0.00 0.00 179.25 181.04 3hss h LEU 72 N 0.87 0.36 -0.17 0.00 5.85 -0.74 0.76 115.31 122.23 3hss h LEU 72 Ca 0.19 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hss h LEU 72 Cb 0.30 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3hss h LEU 72 CO -0.00 0.39 0.09 0.40 -0.34 0.00 0.00 178.44 178.98 3hss h ILE 73 N 0.30 1.10 -0.61 4.05 2.04 -0.85 -2.02 117.51 121.52 3hss h ILE 73 Ca 0.09 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3hss h ILE 73 Cb 0.13 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hss h ILE 73 CO -0.01 0.10 0.24 -0.33 0.00 0.00 0.00 178.15 178.15 3hss h GLU 74 N 0.18 0.91 -0.84 2.37 5.08 -0.74 -1.52 114.58 120.02 3hss h GLU 74 Ca 0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hss h GLU 74 Cb 0.07 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3hss h GLU 74 CO -0.01 0.78 0.54 1.15 -1.00 0.00 0.00 179.01 180.46 3hss h THR 75 N 0.85 1.22 -0.00 1.13 2.02 -0.69 -2.22 112.91 115.22 3hss h THR 75 Ca 0.20 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3hss h THR 75 Cb 0.21 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3hss h THR 75 CO -0.02 0.22 -0.08 0.18 0.37 0.00 0.00 175.52 176.20 3hss n LEU 76 N -4.47 0.18 -3.73 2.58 4.77 -0.77 -4.94 117.00 110.61 3hss n LEU 76 Ca 0.09 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 3hss n LEU 76 Cb 0.03 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3hss n LEU 76 CO 0.37 0.04 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.72 3hss n ASP 77 N -1.27 -1.23 -0.46 -1.43 2.03 -0.60 -4.91 116.55 108.69 3hss n ASP 77 Ca 0.12 -0.83 0.04 0.00 0.52 0.00 0.00 54.79 54.64 3hss n ASP 77 Cb 0.29 -3.97 0.12 0.00 -0.72 0.00 0.00 41.12 36.84 3hss n ASP 77 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3hss n ILE 78 N -4.30 1.15 -1.99 5.18 -5.35 -1.05 -5.03 119.36 107.97 3hss n ILE 78 Ca -0.29 -1.13 -0.41 0.00 -0.27 0.00 0.00 62.75 60.66 3hss n ILE 78 Cb 0.67 0.41 -0.02 0.00 -1.74 0.00 0.00 39.64 38.96 3hss n ILE 78 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hss s ALA 79 N -1.23 3.59 0.10 -1.28 0.00 -1.26 -2.87 121.76 118.81 3hss s ALA 79 Ca 0.18 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.23 3hss s ALA 79 Cb 0.11 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 3hss s ALA 79 CO 0.10 -0.78 0.91 -1.25 0.00 0.00 0.00 175.76 174.73 3hss s PRO 80 N -1.07 4.64 0.10 0.00 0.04 -1.25 -5.04 135.00 132.42 3hss s PRO 80 Ca 0.56 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.96 3hss s PRO 80 Cb -0.42 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 3hss s PRO 80 CO 0.50 0.24 0.16 0.00 0.04 0.00 0.00 177.00 177.94 3hss s ALA 81 N -0.05 3.76 0.38 8.56 0.00 0.82 -4.33 121.76 130.90 3hss s ALA 81 Ca 0.44 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 3hss s ALA 81 Cb -0.23 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 3hss s ALA 81 CO 0.28 0.70 1.11 1.03 0.00 0.00 0.00 175.76 178.88 3hss s ARG 82 N -2.67 4.19 -0.01 0.00 0.52 -1.19 -0.77 118.95 119.03 3hss s ARG 82 Ca 0.32 1.71 0.03 0.00 -0.52 0.00 0.00 55.73 57.27 3hss s ARG 82 Cb -0.12 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 3hss s ARG 82 CO 0.25 -0.16 -0.11 0.08 0.02 0.00 0.00 175.30 175.38 3hss s VAL 83 N -1.46 0.88 -0.16 3.52 1.01 -0.46 -1.04 120.40 122.69 3hss s VAL 83 Ca 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3hss s VAL 83 Cb -0.28 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.40 3hss s VAL 83 CO 0.35 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.87 3hss s VAL 84 N -0.28 1.54 0.11 2.92 1.01 -0.09 -0.90 120.40 124.71 3hss s VAL 84 Ca 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3hss s VAL 84 Cb -0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3hss s VAL 84 CO -0.00 0.39 -0.19 -0.83 0.00 0.00 0.00 175.10 174.46 3hss s GLY 85 N 1.49 1.21 -0.06 4.51 0.00 -0.53 0.21 107.32 114.15 3hss s GLY 85 Ca 0.04 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3hss s GLY 85 CO -0.10 -1.29 -0.14 0.54 0.00 0.00 0.00 173.10 172.11 3hss s VAL 86 N -1.43 1.28 0.00 1.40 0.11 -0.98 -0.53 120.40 120.25 3hss s VAL 86 Ca 0.07 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3hss s VAL 86 Cb -0.09 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 3hss s VAL 86 CO 0.04 0.38 0.00 -0.24 -3.33 0.00 0.00 175.10 171.95 3hss n SER 87 N 3.53 0.00 -0.31 3.54 2.88 -0.29 -0.49 113.62 122.48 3hss n SER 87 Ca -0.21 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.47 3hss n SER 87 Cb 0.52 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.36 3hss n SER 87 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hss h MET 88 N 0.00 0.67 -0.80 -1.46 1.85 -1.86 -0.41 114.93 112.92 3hss h MET 88 Ca 0.00 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 3hss h MET 88 Cb 0.00 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 31.84 3hss h MET 88 CO 0.00 0.44 0.42 0.78 -0.40 0.00 0.00 176.91 178.15 3hss h GLY 89 N 0.69 1.21 1.40 1.39 0.00 -0.67 -0.48 103.07 106.60 3hss h GLY 89 Ca 0.51 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3hss h GLY 89 CO -0.27 0.53 -0.13 0.00 0.00 0.00 0.00 176.54 176.67 3hss h ALA 90 N 1.33 1.03 -0.26 3.60 0.00 -1.08 -0.49 119.26 123.39 3hss h ALA 90 Ca 0.28 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hss h ALA 90 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hss h ALA 90 CO -0.04 0.58 0.01 0.35 0.00 0.00 0.00 179.25 180.16 3hss h PHE 91 N 0.64 0.49 -0.38 0.00 3.57 -0.63 -0.63 116.94 120.00 3hss h PHE 91 Ca 0.11 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3hss h PHE 91 Cb 0.59 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3hss h PHE 91 CO 0.03 0.59 0.18 0.82 -2.23 0.00 0.00 178.31 177.70 3hss h ILE 92 N 0.24 0.97 -0.90 1.41 2.04 -1.04 -1.50 117.51 118.73 3hss h ILE 92 Ca 0.08 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3hss h ILE 92 Cb 0.39 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3hss h ILE 92 CO 0.01 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.80 3hss h ALA 93 N 1.21 1.24 0.05 1.87 0.00 -0.80 0.15 119.26 122.98 3hss h ALA 93 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hss h ALA 93 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hss h ALA 93 CO -0.12 0.33 -0.02 1.96 0.00 0.00 0.00 179.25 181.39 3hss h GLN 94 N 1.03 -0.06 -0.22 0.00 4.20 -0.64 -1.02 115.11 118.41 3hss h GLN 94 Ca 0.39 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.02 3hss h GLN 94 Cb 0.17 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3hss h GLN 94 CO -0.17 0.01 -0.26 0.93 -0.67 0.00 0.00 178.83 178.67 3hss h GLU 95 N -0.11 0.41 -0.44 1.46 4.39 -1.01 -1.35 114.58 117.93 3hss h GLU 95 Ca -0.01 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3hss h GLU 95 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3hss h GLU 95 CO 0.01 0.64 0.22 1.25 -1.16 0.00 0.00 179.01 179.98 3hss h LEU 96 N 0.37 0.57 -1.44 1.33 5.85 -0.53 -2.51 115.31 118.94 3hss h LEU 96 Ca 0.05 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3hss h LEU 96 Cb 0.65 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3hss h LEU 96 CO 0.05 0.53 0.05 0.24 -0.34 0.00 0.00 178.44 178.96 3hss h MET 97 N 0.57 0.41 -0.10 1.25 2.86 -0.59 0.19 114.93 119.52 3hss h MET 97 Ca 0.15 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hss h MET 97 Cb 0.10 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3hss h MET 97 CO -0.02 0.40 0.04 0.28 1.06 0.00 0.00 176.91 178.68 3hss h VAL 98 N 0.41 1.13 0.00 -2.22 2.07 -1.04 -3.16 116.25 113.43 3hss h VAL 98 Ca 0.10 -0.39 -0.23 0.00 0.82 0.00 0.00 66.70 67.00 3hss h VAL 98 Cb 0.20 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3hss h VAL 98 CO -0.00 0.12 -1.70 1.33 0.02 0.00 0.00 177.57 177.34 3hss n VAL 99 N -4.93 1.26 -3.16 2.57 0.24 -0.96 -4.65 118.33 108.69 3hss n VAL 99 Ca -0.06 -0.74 -0.19 0.00 -2.04 0.00 0.00 64.34 61.31 3hss n VAL 99 Cb 0.10 -0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 3hss n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hss n ALA 100 N -2.49 2.34 0.28 2.33 0.00 0.65 -4.97 120.51 118.66 3hss n ALA 100 Ca -0.15 -3.56 0.13 0.00 0.00 0.00 0.00 53.44 49.86 3hss n ALA 100 Cb 0.93 -0.90 0.84 0.00 0.00 0.00 0.00 19.45 20.32 3hss n ALA 100 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hss h PRO 101 N 3.04 0.00 0.00 0.00 0.13 -1.68 -0.87 132.00 132.62 3hss h PRO 101 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hss h PRO 101 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3hss h PRO 101 CO 0.54 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.37 3hss h GLU 102 N 0.00 0.00 0.00 0.86 9.09 -1.93 -2.53 114.58 120.07 3hss h GLU 102 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hss h GLU 102 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3hss h GLU 102 CO 0.00 0.00 -0.35 1.28 0.05 0.00 0.00 179.01 179.99 3hss n LEU 103 N -2.46 0.53 -3.88 3.06 4.77 -0.33 -3.77 117.00 114.91 3hss n LEU 103 Ca -0.00 0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 56.00 3hss n LEU 103 Cb 0.13 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 3hss n LEU 103 CO 0.16 -0.02 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.08 3hss s VAL 104 N -3.08 0.95 0.05 4.08 1.01 -0.95 -0.13 120.40 122.33 3hss s VAL 104 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3hss s VAL 104 Cb 0.15 -1.02 -0.29 0.00 0.00 0.00 0.00 36.38 35.23 3hss s VAL 104 CO 0.65 0.31 1.05 0.77 0.00 0.00 0.00 175.10 177.88 3hss h SER 105 N 8.19 0.45 -4.78 3.32 4.64 -1.14 -3.44 113.55 120.78 3hss h SER 105 Ca -0.28 -0.51 0.17 0.00 -0.47 0.00 0.00 61.79 60.70 3hss h SER 105 Cb 1.13 -0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 3hss h SER 105 CO 0.39 1.41 0.59 -0.94 -0.87 0.00 0.00 176.83 177.41 3hss s SER 106 N -7.13 -0.26 0.01 4.97 1.04 -1.26 -4.22 113.70 106.86 3hss s SER 106 Ca -0.06 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.13 3hss s SER 106 Cb 0.07 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3hss s SER 106 CO 0.88 -0.56 0.34 0.00 0.98 0.00 0.00 173.24 174.88 3hss s ALA 107 N -2.94 -0.83 -0.14 5.32 0.00 -1.02 -1.35 121.76 120.80 3hss s ALA 107 Ca 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3hss s ALA 107 Cb -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3hss s ALA 107 CO -0.06 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 175.31 3hss s VAL 108 N -1.95 3.09 -0.27 0.00 1.01 -0.08 -1.19 120.40 121.01 3hss s VAL 108 Ca -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3hss s VAL 108 Cb -0.03 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.10 3hss s VAL 108 CO 0.01 0.51 -0.07 -0.76 0.00 0.00 0.00 175.10 174.79 3hss s LEU 109 N 0.50 3.61 -0.09 3.92 1.43 0.51 -1.45 118.68 127.11 3hss s LEU 109 Ca -0.08 -1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 51.62 3hss s LEU 109 Cb -0.16 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3hss s LEU 109 CO 0.04 -0.21 0.15 -0.04 0.23 0.00 0.00 176.35 176.52 3hss s MET 110 N 1.16 3.43 -1.19 1.70 -1.94 0.31 -0.73 119.30 122.04 3hss s MET 110 Ca -0.07 -0.19 -0.12 0.00 -1.71 0.00 0.00 55.69 53.60 3hss s MET 110 Cb -0.20 -3.16 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 3hss s MET 110 CO -0.04 0.75 0.75 0.00 -0.01 0.00 0.00 175.02 176.47 3hss n ALA 111 N 1.68 -2.36 -2.71 3.03 0.00 -0.20 -1.13 120.51 118.82 3hss n ALA 111 Ca -0.17 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 3hss n ALA 111 Cb 0.54 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.34 3hss n ALA 111 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hss s THR 112 N -3.56 0.99 0.16 0.00 -1.32 -1.26 -3.06 115.64 107.59 3hss s THR 112 Ca 0.31 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.56 3hss s THR 112 Cb -0.10 -2.17 0.06 0.00 -1.51 0.00 0.00 72.50 68.78 3hss s THR 112 CO 0.84 0.00 0.74 0.00 -2.21 0.00 0.00 174.62 173.99 3hss s ARG 113 N -3.84 1.32 0.00 7.08 3.03 -1.26 -2.70 118.95 122.59 3hss s ARG 113 Ca 0.09 -0.61 0.00 0.00 2.03 0.00 0.00 55.73 57.23 3hss s ARG 113 Cb 0.01 0.53 0.00 0.00 -1.03 0.00 0.00 34.95 34.46 3hss s ARG 113 CO 0.05 -0.59 0.87 0.41 -1.13 0.00 0.00 175.30 174.91 3hss n GLY 114 N -0.39 1.83 3.56 3.88 0.00 -1.26 -4.85 105.19 107.95 3hss n GLY 114 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3hss n GLY 114 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hss s ARG 115 N -0.74 1.00 -0.20 1.61 1.70 -1.26 -0.09 118.95 120.97 3hss s ARG 115 Ca 0.00 -0.43 -0.11 0.00 -0.47 0.00 0.00 55.73 54.72 3hss s ARG 115 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 3hss s ARG 115 CO 0.00 -0.44 0.19 -0.51 -1.08 0.00 0.00 175.30 173.45 3hss s LEU 116 N -2.64 4.20 0.00 -1.89 1.43 -1.26 -4.96 118.68 113.55 3hss s LEU 116 Ca 0.06 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3hss s LEU 116 Cb -0.01 -2.18 0.18 0.00 0.03 0.00 0.00 46.19 44.20 3hss s LEU 116 CO -0.06 0.13 0.78 -0.90 0.23 0.00 0.00 176.35 176.52 3hss n ASP 117 N 3.72 -1.00 0.22 2.29 5.68 -1.26 -4.68 116.55 121.51 3hss n ASP 117 Ca -0.14 -1.09 -0.15 0.00 -0.50 0.00 0.00 54.79 52.91 3hss n ASP 117 Cb 0.52 -0.66 -0.08 0.00 -1.14 0.00 0.00 41.12 39.76 3hss n ASP 117 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3hss h ARG 118 N 0.00 -0.47 -0.39 0.11 9.65 -1.99 -0.42 114.38 120.86 3hss h ARG 118 Ca -0.27 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3hss h ARG 118 Cb 0.80 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.43 3hss h ARG 118 CO 0.18 -0.30 0.07 0.00 2.80 0.00 0.00 179.97 182.72 3hss h ALA 119 N 0.13 0.42 0.00 2.80 0.00 -1.99 -1.46 119.26 119.15 3hss h ALA 119 Ca -0.05 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3hss h ALA 119 Cb 0.39 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hss h ALA 119 CO 0.08 -0.33 -0.42 0.00 0.00 0.00 0.00 179.25 178.58 3hss h ARG 120 N 0.19 0.00 -0.49 0.00 -0.00 -1.89 -0.43 114.38 111.77 3hss h ARG 120 Ca 0.19 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.57 3hss h ARG 120 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 3hss h ARG 120 CO -0.26 0.42 -0.09 0.37 0.00 0.00 0.00 179.97 180.42 3hss h GLN 121 N 0.00 0.89 -0.38 0.04 5.75 -0.58 -2.39 115.11 118.44 3hss h GLN 121 Ca -0.00 -0.30 -0.14 0.00 -0.15 0.00 0.00 58.65 58.06 3hss h GLN 121 Cb 0.80 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 3hss h GLN 121 CO 0.06 0.94 -0.30 0.35 -2.65 0.00 0.00 178.83 177.23 3hss h PHE 122 N 0.80 1.03 -0.76 3.99 3.57 -0.65 -1.70 116.94 123.22 3hss h PHE 122 Ca 0.13 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 3hss h PHE 122 Cb 0.60 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3hss h PHE 122 CO 0.04 1.09 0.31 0.74 -2.23 0.00 0.00 178.31 178.25 3hss h PHE 123 N 0.68 1.13 -0.21 0.41 0.04 -0.98 0.57 116.94 118.57 3hss h PHE 123 Ca 0.07 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3hss h PHE 123 Cb 0.88 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 3hss h PHE 123 CO 0.06 0.85 0.10 -0.97 -0.60 0.00 0.00 178.31 177.75 3hss h ASN 124 N 1.09 0.27 -0.72 2.17 -1.24 -1.31 -1.63 115.58 114.21 3hss h ASN 124 Ca 0.25 -0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.17 3hss h ASN 124 Cb 0.19 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 3hss h ASN 124 CO -0.02 0.31 0.45 0.50 -1.29 0.00 0.00 177.43 177.38 3hss h LYS 125 N 0.21 0.87 -0.61 6.67 3.64 -0.86 -1.78 116.57 124.70 3hss h LYS 125 Ca 0.07 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hss h LYS 125 Cb 0.11 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3hss h LYS 125 CO -0.01 0.57 0.38 0.00 -2.27 0.00 0.00 179.45 178.12 3hss h ALA 126 N 1.30 0.78 -0.55 5.00 0.00 -0.73 -0.63 119.26 124.43 3hss h ALA 126 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hss h ALA 126 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hss h ALA 126 CO -0.10 0.12 0.11 0.93 0.00 0.00 0.00 179.25 180.31 3hss h GLU 127 N 0.74 0.90 -0.66 0.00 4.39 -1.05 -0.82 114.58 118.07 3hss h GLU 127 Ca 0.24 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3hss h GLU 127 Cb 0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3hss h GLU 127 CO -0.09 0.86 0.35 0.00 -1.16 0.00 0.00 179.01 178.96 3hss h ALA 128 N 1.00 0.85 -0.42 3.43 0.00 -1.08 -2.14 119.26 120.91 3hss h ALA 128 Ca 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hss h ALA 128 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hss h ALA 128 CO 0.01 0.38 0.25 1.49 0.00 0.00 0.00 179.25 181.37 3hss h GLU 129 N 0.91 0.57 -0.34 0.00 4.81 -0.77 0.15 114.58 119.90 3hss h GLU 129 Ca 0.23 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3hss h GLU 129 Cb 0.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3hss h GLU 129 CO -0.03 0.43 0.11 1.25 -0.73 0.00 0.00 179.01 180.04 3hss h LEU 130 N 0.55 0.11 0.17 1.64 5.85 -0.91 0.48 115.31 123.19 3hss h LEU 130 Ca 0.15 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3hss h LEU 130 Cb 0.01 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hss h LEU 130 CO -0.03 0.10 -0.08 0.22 -0.34 0.00 0.00 178.44 178.31 3hss h TYR 131 N 0.25 -0.21 0.00 1.25 3.20 -1.09 -3.00 116.97 117.38 3hss h TYR 131 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3hss h TYR 131 Cb 0.14 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3hss h TYR 131 CO -0.15 0.07 0.00 -0.44 -1.64 0.00 0.00 178.16 176.00 3hss h ASP 132 N -0.48 0.00 1.14 -2.11 3.32 -0.54 -1.54 116.42 116.22 3hss h ASP 132 Ca -0.02 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3hss h ASP 132 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3hss h ASP 132 CO 0.04 0.00 -0.42 0.77 -1.72 0.00 0.00 179.24 177.91 3hss h SER 133 N 0.00 0.00 0.00 6.45 4.64 -0.76 -3.47 113.55 120.40 3hss h SER 133 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hss h SER 133 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hss h SER 133 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3hss n GLY 134 N 0.67 2.22 3.74 -0.77 0.00 -0.58 -5.01 105.19 105.46 3hss n GLY 134 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hss n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hss s VAL 135 N -2.86 3.31 -0.19 1.61 1.01 -1.24 -5.00 120.40 117.03 3hss s VAL 135 Ca 0.00 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 3hss s VAL 135 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3hss s VAL 135 CO 0.00 0.16 0.01 -1.10 0.00 0.00 0.00 175.10 174.17 3hss s GLN 136 N -0.10 3.70 0.18 2.72 -0.21 -1.26 -4.78 119.66 119.91 3hss s GLN 136 Ca 0.56 -0.48 -0.31 0.00 0.02 0.00 0.00 55.36 55.15 3hss s GLN 136 Cb -0.35 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.47 3hss s GLN 136 CO 0.38 0.09 1.43 -0.51 -2.12 0.00 0.00 175.29 174.56 3hss s LEU 137 N 0.80 4.38 0.50 2.90 1.43 -1.26 -4.99 118.68 122.45 3hss s LEU 137 Ca 0.01 2.51 -0.22 0.00 -1.03 0.00 0.00 54.13 55.40 3hss s LEU 137 Cb -0.14 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 3hss s LEU 137 CO 0.02 -0.68 1.15 -2.65 0.23 0.00 0.00 176.35 174.42 3hss n PRO 138 N 3.21 1.46 -0.02 1.29 -0.02 -1.26 -4.76 135.00 134.91 3hss n PRO 138 Ca 0.10 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 3hss n PRO 138 Cb 0.41 -2.30 0.32 0.00 -0.02 0.00 0.00 33.50 31.91 3hss n PRO 138 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hss h PRO 139 N 1.36 0.57 -0.05 0.52 0.13 -1.99 -0.54 132.00 132.00 3hss h PRO 139 Ca -0.48 -0.09 -0.18 0.00 -0.87 0.00 0.00 66.00 64.38 3hss h PRO 139 Cb 1.33 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hss h PRO 139 CO 0.56 0.52 -0.66 1.15 -0.23 0.00 0.00 178.00 179.35 3hss h THR 140 N 0.56 1.37 -0.50 1.56 2.02 -1.99 -1.32 112.91 114.60 3hss h THR 140 Ca 0.13 -2.01 0.08 0.00 0.77 0.00 0.00 66.41 65.38 3hss h THR 140 Cb 0.22 2.37 -0.07 0.00 -1.74 0.00 0.00 68.15 68.94 3hss h THR 140 CO -0.00 0.60 0.13 0.22 0.37 0.00 0.00 175.52 176.84 3hss h TYR 141 N 0.11 0.21 -0.35 3.16 3.20 -1.89 -1.25 116.97 120.15 3hss h TYR 141 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3hss h TYR 141 Cb 1.33 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 3hss h TYR 141 CO 0.12 0.03 0.20 0.22 -1.64 0.00 0.00 178.16 177.09 3hss h ASP 142 N 0.27 0.44 -0.60 -2.11 3.58 -0.99 -1.26 116.42 115.75 3hss h ASP 142 Ca 0.25 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3hss h ASP 142 Cb 0.32 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 3hss h ASP 142 CO -0.30 0.39 0.33 0.00 -2.88 0.00 0.00 179.24 176.77 3hss h ALA 143 N 1.07 0.77 -0.44 -0.78 0.00 -1.01 -1.01 119.26 117.86 3hss h ALA 143 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hss h ALA 143 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3hss h ALA 143 CO -0.02 0.29 0.20 -0.09 0.00 0.00 0.00 179.25 179.62 3hss h ARG 144 N 0.81 0.65 -0.61 0.00 2.43 -0.96 -1.49 114.38 115.20 3hss h ARG 144 Ca 0.21 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3hss h ARG 144 Cb 0.05 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3hss h ARG 144 CO -0.03 0.57 0.34 0.00 -1.51 0.00 0.00 179.97 179.34 3hss h ALA 145 N 1.04 0.78 -0.96 2.80 0.00 -0.99 -0.76 119.26 121.16 3hss h ALA 145 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hss h ALA 145 Cb 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3hss h ALA 145 CO -0.02 0.29 0.64 -0.09 0.00 0.00 0.00 179.25 180.07 3hss h ARG 146 N 0.82 1.24 -0.00 0.00 2.43 -1.01 -1.66 114.38 116.20 3hss h ARG 146 Ca 0.21 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hss h ARG 146 Cb 0.04 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 3hss h ARG 146 CO -0.04 0.82 -0.00 1.25 -1.51 0.00 0.00 179.97 180.49 3hss h LEU 147 N 1.28 0.00 -1.40 3.80 5.85 -0.95 -2.92 115.31 120.97 3hss h LEU 147 Ca 0.36 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hss h LEU 147 Cb -0.10 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hss h LEU 147 CO -0.09 0.44 0.43 -0.07 -0.34 0.00 0.00 178.44 178.82 3hss h LEU 148 N -0.44 0.68 0.00 2.25 3.38 -0.96 -2.69 115.31 117.53 3hss h LEU 148 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hss h LEU 148 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hss h LEU 148 CO 0.00 0.47 -0.10 -0.33 0.09 0.00 0.00 178.44 178.57 3hss h GLU 149 N 0.79 0.00 0.00 1.13 5.08 -1.32 -3.38 114.58 116.88 3hss h GLU 149 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3hss h GLU 149 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hss h GLU 149 CO -0.07 0.00 -0.54 0.09 -1.00 0.00 0.00 179.01 177.49 3hss n ASN 150 N -2.78 1.65 -4.47 1.42 3.02 -1.04 -4.40 115.26 108.67 3hss n ASN 150 Ca 0.04 -0.37 -0.24 0.00 -0.03 0.00 0.00 54.58 53.98 3hss n ASN 150 Cb 0.50 1.06 -0.10 0.00 -0.61 0.00 0.00 39.78 40.63 3hss n ASN 150 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3hss s PHE 151 N -1.67 2.29 0.76 3.10 0.08 -1.05 -2.02 117.98 119.47 3hss s PHE 151 Ca 0.00 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 3hss s PHE 151 Cb 0.03 -1.00 0.05 0.00 -0.57 0.00 0.00 43.02 41.52 3hss s PHE 151 CO 0.15 0.70 1.08 -1.54 -0.10 0.00 0.00 175.22 175.51 3hss s SER 152 N -3.46 4.79 0.33 1.36 1.04 -1.26 -4.56 113.70 111.94 3hss s SER 152 Ca 0.29 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.27 3hss s SER 152 Cb -0.05 -2.33 0.55 0.00 0.10 0.00 0.00 66.02 64.29 3hss s SER 152 CO 0.15 -1.81 1.98 0.03 0.98 0.00 0.00 173.24 174.57 3hss h ARG 153 N -0.97 0.92 -0.75 4.02 2.47 -1.92 -0.94 114.38 117.21 3hss h ARG 153 Ca -0.45 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 3hss h ARG 153 Cb 1.24 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 29.32 3hss h ARG 153 CO 0.56 0.62 0.46 -0.22 0.56 0.00 0.00 179.97 181.96 3hss h LYS 154 N 0.95 1.02 -0.17 0.04 3.64 -1.92 -1.24 116.57 118.89 3hss h LYS 154 Ca 0.25 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3hss h LYS 154 Cb -0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 3hss h LYS 154 CO -0.05 0.71 -0.02 1.15 -2.27 0.00 0.00 179.45 178.97 3hss h THR 155 N 1.03 1.27 0.00 1.00 2.02 -1.79 -3.26 112.91 113.18 3hss h THR 155 Ca 0.27 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3hss h THR 155 Cb -0.05 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3hss h THR 155 CO -0.05 0.27 -0.04 -0.07 0.37 0.00 0.00 175.52 176.00 3hss h LEU 156 N 0.04 0.00 -0.42 2.58 3.38 -0.84 -1.11 115.31 118.94 3hss h LEU 156 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hss h LEU 156 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hss h LEU 156 CO 0.01 0.04 -0.01 0.59 0.09 0.00 0.00 178.44 179.16 3hss n ASN 157 N -4.36 0.66 -4.20 -0.43 3.02 -0.50 -4.71 115.26 104.75 3hss n ASN 157 Ca -0.03 -1.15 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 3hss n ASN 157 Cb 0.13 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3hss n ASN 157 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hss s ASP 158 N -2.06 5.48 0.33 6.41 -1.08 -0.42 -4.96 116.67 120.38 3hss s ASP 158 Ca 0.42 -1.77 0.02 0.00 -0.52 0.00 0.00 52.55 50.69 3hss s ASP 158 Cb 0.21 -1.92 0.60 0.00 -1.46 0.00 0.00 42.92 40.35 3hss s ASP 158 CO 0.37 -0.57 1.97 0.44 0.52 0.00 0.00 175.17 177.90 3hss h ASP 159 N 8.28 0.80 -0.14 -0.34 3.32 -1.84 -0.31 116.42 126.19 3hss h ASP 159 Ca -0.19 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3hss h ASP 159 Cb 1.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3hss h ASP 159 CO 0.75 0.55 -0.05 0.58 -1.72 0.00 0.00 179.24 179.35 3hss h VAL 160 N 0.93 1.31 -0.64 -1.35 2.07 -1.93 -2.18 116.25 114.46 3hss h VAL 160 Ca 0.29 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hss h VAL 160 Cb 0.03 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3hss h VAL 160 CO -0.08 0.31 0.41 0.00 0.02 0.00 0.00 177.57 178.23 3hss h ALA 161 N 0.67 0.82 -0.38 1.67 0.00 -1.74 -1.68 119.26 118.62 3hss h ALA 161 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hss h ALA 161 Cb 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3hss h ALA 161 CO 0.02 0.20 0.06 0.28 0.00 0.00 0.00 179.25 179.81 3hss h VAL 162 N 0.83 0.79 -0.87 0.00 2.07 -1.02 -0.19 116.25 117.86 3hss h VAL 162 Ca 0.24 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.78 3hss h VAL 162 Cb -0.05 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 3hss h VAL 162 CO -0.07 0.03 0.53 1.23 0.02 0.00 0.00 177.57 179.31 3hss h GLY 163 N 0.18 1.35 0.92 2.17 0.00 -0.91 -1.17 103.07 105.62 3hss h GLY 163 Ca 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3hss h GLY 163 CO -0.25 0.20 0.10 -0.55 0.00 0.00 0.00 176.54 176.04 3hss h ASP 164 N 0.91 0.52 -0.53 0.19 3.32 -0.29 -1.95 116.42 118.59 3hss h ASP 164 Ca 0.40 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3hss h ASP 164 Cb 0.29 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3hss h ASP 164 CO -0.22 0.60 -0.04 -0.50 -1.72 0.00 0.00 179.24 177.36 3hss h TRP 165 N 0.41 1.05 -0.99 4.55 4.06 -0.69 -1.89 115.95 122.46 3hss h TRP 165 Ca 0.11 -0.20 0.02 0.00 2.06 0.00 0.00 58.89 60.88 3hss h TRP 165 Cb 0.27 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 3hss h TRP 165 CO 0.01 0.98 0.66 0.82 -3.56 0.00 0.00 178.44 177.35 3hss h ILE 166 N 0.83 1.24 -0.45 1.49 1.08 -1.15 0.09 117.51 120.63 3hss h ILE 166 Ca 0.14 -0.45 -0.09 0.00 -0.39 0.00 0.00 64.86 64.07 3hss h ILE 166 Cb 0.59 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3hss h ILE 166 CO 0.04 0.24 -0.08 0.00 -0.69 0.00 0.00 178.15 177.66 3hss h ALA 167 N 1.37 0.62 -0.29 1.87 0.00 -1.18 -2.84 119.26 118.81 3hss h ALA 167 Ca 0.37 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hss h ALA 167 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hss h ALA 167 CO -0.09 0.49 0.19 1.98 0.00 0.00 0.00 179.25 181.82 3hss h MET 168 N 0.69 0.36 -0.84 0.00 1.85 -0.48 -2.01 114.93 114.50 3hss h MET 168 Ca 0.12 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.25 3hss h MET 168 Cb 0.61 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.50 3hss h MET 168 CO 0.04 0.24 0.55 0.74 -0.40 0.00 0.00 176.91 178.08 3hss h PHE 169 N 0.38 0.95 -0.54 1.39 0.04 -0.76 -0.29 116.94 118.10 3hss h PHE 169 Ca 0.11 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3hss h PHE 169 Cb -0.02 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3hss h PHE 169 CO -0.00 0.50 0.36 0.77 -0.60 0.00 0.00 178.31 179.34 3hss h SER 170 N 0.93 0.60 0.85 2.17 0.02 -1.36 -2.29 113.55 114.47 3hss h SER 170 Ca 0.36 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3hss h SER 170 Cb 0.22 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hss h SER 170 CO -0.13 0.43 -0.29 0.23 -1.14 0.00 0.00 176.83 175.93 3hss n MET 171 N -4.46 0.08 -3.18 3.45 2.81 -0.23 -4.19 117.12 111.40 3hss n MET 171 Ca 0.05 0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.74 3hss n MET 171 Cb 0.07 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 3hss n MET 171 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3hss n TRP 172 N -1.70 2.04 -1.83 2.03 7.02 -0.54 -5.11 117.44 119.35 3hss n TRP 172 Ca 0.06 -3.90 -0.38 0.00 -1.02 0.00 0.00 57.50 52.26 3hss n TRP 172 Cb 0.37 -0.46 0.04 0.00 -2.42 0.00 0.00 31.31 28.84 3hss n TRP 172 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3hss s PRO 173 N -2.45 3.04 -0.43 -0.99 0.04 -1.14 -4.84 135.00 128.22 3hss s PRO 173 Ca 0.41 2.12 -0.02 0.00 0.04 0.00 0.00 61.00 63.55 3hss s PRO 173 Cb 0.24 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.75 3hss s PRO 173 CO -0.09 -1.24 0.23 0.42 0.04 0.00 0.00 177.00 176.37 3hss s ILE 174 N -1.37 3.27 0.25 0.56 -1.09 -1.26 -5.08 121.20 116.49 3hss s ILE 174 Ca 0.74 -2.20 -0.30 0.00 -2.23 0.00 0.00 60.65 56.66 3hss s ILE 174 Cb -0.38 -3.24 -0.09 0.00 -1.58 0.00 0.00 42.46 37.17 3hss s ILE 174 CO 0.44 -0.71 1.19 -0.75 -1.23 0.00 0.00 174.94 173.88 3hss s LYS 175 N 0.96 4.51 -0.46 2.79 2.20 -1.26 -4.97 119.74 123.51 3hss s LYS 175 Ca 0.10 1.93 -0.27 0.00 -0.36 0.00 0.00 55.97 57.37 3hss s LYS 175 Cb -0.22 -3.18 0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3hss s LYS 175 CO -0.04 -0.01 1.00 0.45 -0.36 0.00 0.00 175.35 176.39 3hss s SER 176 N -0.35 6.57 0.18 1.43 0.15 -1.26 -4.84 113.70 115.58 3hss s SER 176 Ca 0.49 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.47 3hss s SER 176 Cb -0.34 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.43 3hss s SER 176 CO 0.42 -1.10 0.00 0.42 1.20 0.00 0.00 173.24 174.18 3hss s THR 177 N 3.98 0.74 0.30 6.45 -4.23 -1.26 -5.02 115.64 116.59 3hss s THR 177 Ca 0.41 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 3hss s THR 177 Cb -0.09 -2.16 0.28 0.00 1.34 0.00 0.00 72.50 71.87 3hss s THR 177 CO 0.27 -0.45 1.91 -0.65 -0.54 0.00 0.00 174.62 175.16 3hss h PRO 178 N 2.66 1.00 -0.62 3.99 0.11 -1.85 -1.65 132.00 135.64 3hss h PRO 178 Ca -0.37 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3hss h PRO 178 Cb 1.21 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3hss h PRO 178 CO 0.63 0.66 0.25 0.78 -0.21 0.00 0.00 178.00 180.10 3hss h GLY 179 N 1.03 0.99 1.18 -0.55 0.00 -0.71 0.05 103.07 105.05 3hss h GLY 179 Ca 0.40 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3hss h GLY 179 CO -0.15 0.51 0.08 -2.00 0.00 0.00 0.00 176.54 174.98 3hss h LEU 180 N 0.86 0.96 -0.50 3.11 5.85 -1.55 -1.39 115.31 122.65 3hss h LEU 180 Ca 0.21 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3hss h LEU 180 Cb 0.20 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3hss h LEU 180 CO -0.02 0.97 0.18 -0.09 -0.34 0.00 0.00 178.44 179.14 3hss h ARG 181 N 0.94 0.77 -0.02 1.25 9.65 -0.97 -2.99 114.38 123.01 3hss h ARG 181 Ca 0.19 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 3hss h ARG 181 Cb 0.44 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3hss h ARG 181 CO 0.01 0.70 -0.31 0.00 2.80 0.00 0.00 179.97 183.17 3hss h GLN 183 N 0.03 0.00 0.00 0.00 4.20 -1.12 -1.77 115.11 116.45 3hss h GLN 183 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hss h GLN 183 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 3hss h GLN 183 CO 0.04 0.11 -0.12 1.25 -0.67 0.00 0.00 178.83 179.44 3hss h LEU 184 N 0.00 0.00 -0.84 1.46 5.85 -1.33 -1.54 115.31 118.90 3hss h LEU 184 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hss h LEU 184 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hss h LEU 184 CO 0.01 0.12 -0.02 0.47 -0.34 0.00 0.00 178.44 178.69 3hss n ASP 185 N -4.38 1.33 -3.91 1.25 8.00 -0.67 -4.41 116.55 113.77 3hss n ASP 185 Ca -0.03 -1.40 -0.43 0.00 0.71 0.00 0.00 54.79 53.65 3hss n ASP 185 Cb 0.20 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3hss n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hss s ALA 187 N 1.34 -1.22 0.22 0.00 0.00 -1.26 -4.89 121.76 115.95 3hss s ALA 187 Ca 0.42 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.25 3hss s ALA 187 Cb 0.10 0.78 -0.12 0.00 0.00 0.00 0.00 23.12 23.87 3hss s ALA 187 CO -0.02 -0.70 1.64 -2.30 0.00 0.00 0.00 175.76 174.38 3hss n PRO 188 N -0.29 2.56 0.00 0.00 -0.02 -1.26 -4.86 135.00 131.13 3hss n PRO 188 Ca -0.16 0.92 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3hss n PRO 188 Cb 0.64 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3hss n PRO 188 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hss n GLN 189 N 3.26 2.76 -4.08 -0.52 1.13 -1.26 -4.58 117.38 114.09 3hss n GLN 189 Ca 0.14 -0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 54.88 3hss n GLN 189 Cb 0.34 -1.09 -0.05 0.00 0.11 0.00 0.00 30.24 29.55 3hss n GLN 189 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hss s THR 190 N -1.99 0.00 -0.37 5.09 -4.23 -1.26 -5.07 115.64 107.81 3hss s THR 190 Ca 0.06 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 3hss s THR 190 Cb 0.09 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3hss s THR 190 CO 0.45 0.00 1.09 0.21 -0.54 0.00 0.00 174.62 175.83 3hss s ASN 191 N -3.20 6.83 0.00 3.99 2.47 -1.26 -4.59 114.94 119.18 3hss s ASN 191 Ca 0.30 0.85 0.23 0.00 0.42 0.00 0.00 52.86 54.67 3hss s ASN 191 Cb -0.00 -2.54 0.17 0.00 -1.45 0.00 0.00 41.25 37.43 3hss s ASN 191 CO 0.18 -1.00 1.19 0.54 -3.72 0.00 0.00 177.10 174.29 3hss n ARG 192 N 7.17 0.55 -0.29 0.43 5.12 0.87 -4.41 116.66 126.10 3hss n ARG 192 Ca 0.12 -0.42 0.08 0.00 -1.93 0.00 0.00 57.85 55.70 3hss n ARG 192 Cb 0.48 -1.49 0.23 0.00 -1.16 0.00 0.00 32.46 30.52 3hss n ARG 192 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3hss h LEU 193 N 1.02 0.48 -0.99 0.55 3.38 -1.90 -1.42 115.31 116.43 3hss h LEU 193 Ca 0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hss h LEU 193 Cb 0.58 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3hss h LEU 193 CO 0.00 0.18 0.65 -0.65 0.09 0.00 0.00 178.44 178.71 3hss h PRO 194 N 0.58 1.26 -0.06 1.13 0.11 -1.95 -2.13 132.00 130.94 3hss h PRO 194 Ca 0.47 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 3hss h PRO 194 Cb 0.71 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3hss h PRO 194 CO -0.39 0.83 -0.01 0.00 -0.21 0.00 0.00 178.00 178.22 3hss h ALA 195 N 1.39 1.86 0.00 -0.75 0.00 -1.57 -2.56 119.26 117.63 3hss h ALA 195 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hss h ALA 195 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hss h ALA 195 CO -0.11 0.11 0.00 1.88 0.00 0.00 0.00 179.25 181.13 3hss h TYR 196 N 0.09 0.00 0.00 0.00 0.05 -1.02 -2.92 116.97 113.17 3hss h TYR 196 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3hss h TYR 196 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3hss h TYR 196 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 3hss h ARG 197 N 0.00 0.00 -0.01 4.88 3.08 -1.42 -2.07 114.38 118.84 3hss h ARG 197 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hss h ARG 197 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3hss h ARG 197 CO 0.00 0.00 -0.17 0.09 -1.07 0.00 0.00 179.97 178.82 3hss n ASN 198 N -2.52 1.23 -4.64 7.04 5.03 -1.10 -4.49 115.26 115.81 3hss n ASN 198 Ca -0.00 -1.13 -0.43 0.00 0.87 0.00 0.00 54.58 53.89 3hss n ASN 198 Cb 0.14 0.09 -0.02 0.00 -1.02 0.00 0.00 39.78 38.97 3hss n ASN 198 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hss s ILE 199 N -2.32 4.31 0.12 2.41 1.01 -0.78 -4.91 121.20 121.04 3hss s ILE 199 Ca 0.29 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.49 3hss s ILE 199 Cb 0.20 -4.19 -0.22 0.00 0.01 0.00 0.00 42.46 38.26 3hss s ILE 199 CO 0.45 -0.36 1.26 0.00 0.00 0.00 0.00 174.94 176.29 3hss h ALA 200 N 8.55 0.31 -2.97 9.38 0.00 -1.89 -3.37 119.26 129.28 3hss h ALA 200 Ca -0.24 -0.84 -0.55 0.00 0.00 0.00 0.00 54.91 53.27 3hss h ALA 200 Cb 1.09 -0.07 0.14 0.00 0.00 0.00 0.00 17.79 18.94 3hss h ALA 200 CO 1.01 1.05 0.59 0.00 0.00 0.00 0.00 179.25 181.90 3hss n ALA 201 N -2.45 1.58 -1.79 0.00 0.00 -1.26 -4.56 120.51 112.03 3hss n ALA 201 Ca -0.04 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 3hss n ALA 201 Cb 0.93 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 3hss n ALA 201 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hss s PRO 202 N -2.70 4.31 -0.02 0.00 0.04 -1.26 -4.54 135.00 130.83 3hss s PRO 202 Ca 0.68 2.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.98 3hss s PRO 202 Cb -0.44 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.05 3hss s PRO 202 CO 0.52 -0.27 0.06 0.08 0.04 0.00 0.00 177.00 177.42 3hss s VAL 203 N -0.92 -0.01 -0.23 -0.36 1.01 -0.80 -2.43 120.40 116.67 3hss s VAL 203 Ca 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3hss s VAL 203 Cb -0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 3hss s VAL 203 CO 0.52 0.01 -0.01 -0.22 0.00 0.00 0.00 175.10 175.40 3hss s LEU 204 N 0.15 3.04 -0.22 3.92 2.96 -0.34 -1.84 118.68 126.35 3hss s LEU 204 Ca -0.01 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3hss s LEU 204 Cb -0.02 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3hss s LEU 204 CO -0.00 -0.02 0.13 -0.69 -1.32 0.00 0.00 176.35 174.44 3hss s VAL 205 N 1.48 5.19 -0.17 1.68 1.01 -0.09 -0.36 120.40 129.13 3hss s VAL 205 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3hss s VAL 205 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hss s VAL 205 CO -0.01 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 3hss s ILE 206 N 0.75 3.18 0.01 2.22 1.01 0.09 -0.91 121.20 127.56 3hss s ILE 206 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3hss s ILE 206 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3hss s ILE 206 CO 0.02 0.48 0.04 -0.83 0.00 0.00 0.00 174.94 174.65 3hss s GLY 207 N 0.90 1.95 -0.22 6.18 0.00 0.27 -1.03 107.32 115.36 3hss s GLY 207 Ca -0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 3hss s GLY 207 CO 0.00 -0.84 0.06 -1.36 0.00 0.00 0.00 173.10 170.97 3hss s PHE 208 N -1.18 3.12 0.35 1.90 0.08 -1.26 -0.90 117.98 120.09 3hss s PHE 208 Ca 0.22 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.04 3hss s PHE 208 Cb -0.12 -2.17 0.65 0.00 -0.57 0.00 0.00 43.02 40.81 3hss s PHE 208 CO 0.14 -0.19 2.01 0.00 -0.10 0.00 0.00 175.22 177.08 3hss h ALA 209 N 7.69 1.55 -0.59 5.36 0.00 -1.23 -1.57 119.26 130.47 3hss h ALA 209 Ca -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hss h ALA 209 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hss h ALA 209 CO 0.61 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 180.02 3hss n ASP 210 N -4.44 3.35 -4.66 0.00 9.92 0.02 -4.83 116.55 115.92 3hss n ASP 210 Ca 0.06 -1.99 -0.42 0.00 -0.53 0.00 0.00 54.79 51.91 3hss n ASP 210 Cb 0.05 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.11 3hss n ASP 210 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hss s ASP 211 N -1.08 6.74 -0.01 -2.24 -1.08 -0.59 -4.66 116.67 113.75 3hss s ASP 211 Ca 0.42 2.11 0.21 0.00 -0.52 0.00 0.00 52.55 54.77 3hss s ASP 211 Cb 0.22 -2.54 -0.26 0.00 -1.46 0.00 0.00 42.92 38.88 3hss s ASP 211 CO 0.29 -0.88 0.72 1.33 0.52 0.00 0.00 175.17 177.16 3hss n VAL 212 N 5.39 0.00 0.00 1.11 0.24 -1.26 -3.66 118.33 120.16 3hss n VAL 212 Ca 0.16 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.34 62.10 3hss n VAL 212 Cb 0.43 0.65 -0.13 0.00 -1.47 0.00 0.00 33.84 33.32 3hss n VAL 212 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3hss h VAL 213 N 0.00 1.56 -2.92 3.34 2.07 -1.89 -3.40 116.25 115.00 3hss h VAL 213 Ca 0.00 -2.30 -0.61 0.00 0.82 0.00 0.00 66.70 64.62 3hss h VAL 213 Cb 0.65 3.04 -0.40 0.00 -1.52 0.00 0.00 31.29 33.06 3hss h VAL 213 CO 0.00 0.64 -0.75 0.42 0.02 0.00 0.00 177.57 177.90 3hss s THR 214 N -2.68 1.32 0.59 2.57 -4.23 -1.26 -4.94 115.64 107.00 3hss s THR 214 Ca -0.15 -2.59 -0.20 0.00 -1.18 0.00 0.00 61.69 57.57 3hss s THR 214 Cb 0.01 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 3hss s THR 214 CO 0.79 -0.93 1.33 -2.16 -0.54 0.00 0.00 174.62 173.10 3hss s PRO 215 N 0.29 2.91 0.46 3.99 0.04 -1.24 -4.72 135.00 136.73 3hss s PRO 215 Ca 0.19 2.16 0.18 0.00 0.04 0.00 0.00 61.00 63.57 3hss s PRO 215 Cb -0.21 -2.09 1.11 0.00 0.04 0.00 0.00 34.50 33.34 3hss s PRO 215 CO -0.02 -1.34 2.00 -1.00 0.04 0.00 0.00 177.00 176.68 3hss h PRO 216 N 1.10 0.00 -0.24 0.56 0.13 -1.76 -1.85 132.00 129.93 3hss h PRO 216 Ca -0.51 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3hss h PRO 216 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3hss h PRO 216 CO 0.56 0.18 0.16 0.10 -0.23 0.00 0.00 178.00 178.77 3hss h TYR 217 N 0.00 0.25 -0.20 1.56 -0.00 -1.95 -0.98 116.97 115.65 3hss h TYR 217 Ca -0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.64 3hss h TYR 217 Cb 0.35 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 36.98 3hss h TYR 217 CO 0.00 0.15 -0.29 -0.07 -0.00 0.00 0.00 178.16 177.95 3hss h LEU 218 N 0.26 0.39 -0.43 0.10 3.38 -1.61 -1.69 115.31 115.71 3hss h LEU 218 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3hss h LEU 218 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hss h LEU 218 CO -0.02 0.67 0.02 1.23 0.09 0.00 0.00 178.44 180.43 3hss h GLY 219 N 1.05 0.81 1.71 0.83 0.00 -1.02 -2.97 103.07 103.49 3hss h GLY 219 Ca 0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3hss h GLY 219 CO 0.05 0.54 0.01 -0.09 0.00 0.00 0.00 176.54 177.05 3hss h ARG 220 N 0.60 0.37 -0.85 4.80 2.43 -0.88 -1.66 114.38 119.19 3hss h ARG 220 Ca 0.13 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3hss h ARG 220 Cb 0.46 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3hss h ARG 220 CO 0.02 0.39 0.42 0.93 -1.51 0.00 0.00 179.97 180.22 3hss h GLU 221 N 0.36 1.21 -0.12 0.20 5.08 -1.20 -0.04 114.58 120.07 3hss h GLU 221 Ca 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hss h GLU 221 Cb 0.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hss h GLU 221 CO 0.00 0.92 0.04 0.28 -1.00 0.00 0.00 179.01 179.25 3hss h VAL 222 N 1.21 1.17 -0.64 3.13 2.07 -1.19 -1.69 116.25 120.32 3hss h VAL 222 Ca 0.29 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hss h VAL 222 Cb 0.09 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3hss h VAL 222 CO -0.04 0.16 0.38 0.00 0.02 0.00 0.00 177.57 178.08 3hss h ALA 223 N 0.86 1.46 -0.32 1.67 0.00 -1.12 -1.22 119.26 120.59 3hss h ALA 223 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hss h ALA 223 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hss h ALA 223 CO -0.00 0.46 -0.29 -0.44 0.00 0.00 0.00 179.25 178.98 3hss h ASP 224 N 0.88 0.68 -0.44 0.00 3.32 -0.86 -3.12 116.42 116.88 3hss h ASP 224 Ca 0.23 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3hss h ASP 224 Cb -0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hss h ASP 224 CO -0.04 0.93 -0.18 0.00 -1.72 0.00 0.00 179.24 178.23 3hss h ALA 225 N 1.11 0.62 -2.26 3.45 0.00 -0.54 -3.43 119.26 118.20 3hss h ALA 225 Ca 0.07 -0.37 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 3hss h ALA 225 Cb 0.79 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hss h ALA 225 CO 0.06 0.57 0.96 -0.51 0.00 0.00 0.00 179.25 180.34 3hss s LEU 226 N -9.13 4.28 0.45 0.00 1.43 -0.53 -3.69 118.68 111.48 3hss s LEU 226 Ca -0.12 2.04 0.14 0.00 -1.03 0.00 0.00 54.13 55.16 3hss s LEU 226 Cb 0.11 -3.54 1.01 0.00 0.03 0.00 0.00 46.19 43.80 3hss s LEU 226 CO 0.85 -0.82 2.01 1.55 0.23 0.00 0.00 176.35 180.17 3hss h PRO 227 N 8.67 0.06 -0.24 1.29 0.13 -1.79 -2.02 132.00 138.11 3hss h PRO 227 Ca -0.35 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 3hss h PRO 227 Cb 1.16 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 3hss h PRO 227 CO 0.95 0.19 -0.20 0.09 -0.23 0.00 0.00 178.00 178.80 3hss n ASN 228 N -4.36 2.30 -4.89 1.44 3.02 -1.26 -5.02 115.26 106.49 3hss n ASN 228 Ca -0.02 -3.77 -0.33 0.00 -0.03 0.00 0.00 54.58 50.43 3hss n ASN 228 Cb 0.21 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 3hss n ASN 228 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hss s GLY 229 N -2.73 2.23 0.09 7.41 0.00 -0.76 -1.91 107.32 111.65 3hss s GLY 229 Ca 0.42 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.54 3hss s GLY 229 CO -0.02 -0.51 -0.10 1.09 0.00 0.00 0.00 173.10 173.56 3hss s ARG 230 N -2.05 0.84 -0.09 2.90 1.70 -0.77 -4.79 118.95 116.69 3hss s ARG 230 Ca 0.31 -1.14 -0.01 0.00 -0.47 0.00 0.00 55.73 54.42 3hss s ARG 230 Cb -0.13 -0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 33.68 3hss s ARG 230 CO 0.20 0.09 -0.04 -0.47 -1.08 0.00 0.00 175.30 174.00 3hss s TYR 231 N -2.36 3.04 -0.02 5.89 5.04 -1.26 -0.91 117.35 126.77 3hss s TYR 231 Ca 0.05 0.02 0.03 0.00 -2.44 0.00 0.00 57.07 54.72 3hss s TYR 231 Cb -0.03 -1.79 -0.00 0.00 0.35 0.00 0.00 41.96 40.48 3hss s TYR 231 CO 0.00 0.30 -0.09 -1.17 -1.34 0.00 0.00 175.55 173.25 3hss s LEU 232 N -0.58 1.89 -0.08 6.97 2.96 -0.09 -4.96 118.68 124.79 3hss s LEU 232 Ca 0.09 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3hss s LEU 232 Cb -0.12 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3hss s LEU 232 CO 0.02 0.09 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.39 3hss s GLN 233 N 0.00 2.81 -0.26 1.98 0.74 -1.26 -0.57 119.66 123.10 3hss s GLN 233 Ca -0.00 -0.75 -0.09 0.00 0.05 0.00 0.00 55.36 54.56 3hss s GLN 233 Cb -0.06 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 3hss s GLN 233 CO 0.00 0.42 0.14 0.42 -0.55 0.00 0.00 175.29 175.72 3hss s ILE 234 N -0.22 4.91 0.72 -2.34 -1.09 -0.08 -4.95 121.20 118.14 3hss s ILE 234 Ca -0.00 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.33 3hss s ILE 234 Cb -0.13 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 3hss s ILE 234 CO 0.03 0.29 1.09 -2.16 -1.23 0.00 0.00 174.94 172.97 3hss s PRO 235 N 1.63 2.54 -1.46 2.79 0.04 -1.26 -1.90 135.00 137.39 3hss s PRO 235 Ca 0.07 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 3hss s PRO 235 Cb -0.15 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3hss s PRO 235 CO 0.08 -1.43 0.89 -0.25 0.04 0.00 0.00 177.00 176.33 3hss n ASP 236 N -3.04 -3.65 -3.85 6.66 8.00 -1.26 -4.85 116.55 114.56 3hss n ASP 236 Ca 0.09 -0.79 -0.19 0.00 0.71 0.00 0.00 54.79 54.62 3hss n ASP 236 Cb 0.53 -3.96 -0.16 0.00 -0.02 0.00 0.00 41.12 37.50 3hss n ASP 236 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hss s ALA 237 N -3.43 0.53 0.48 2.24 0.00 -1.26 -4.71 121.76 115.60 3hss s ALA 237 Ca 0.44 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3hss s ALA 237 Cb -0.22 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hss s ALA 237 CO 0.82 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.91 3hss n GLY 238 N 4.19 0.61 0.33 0.00 0.00 -1.26 -0.80 105.19 108.25 3hss n GLY 238 Ca -0.24 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.02 3hss n GLY 238 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hss h HIS 239 N -0.11 0.34 -0.60 1.61 2.76 -1.61 -1.81 115.15 115.72 3hss h HIS 239 Ca 0.00 0.01 -0.41 0.00 -2.20 0.00 0.00 60.37 57.77 3hss h HIS 239 Cb 0.00 -0.11 -0.18 0.00 1.55 0.00 0.00 27.41 28.67 3hss h HIS 239 CO 0.00 0.18 0.53 1.28 -1.30 0.00 0.00 177.93 178.62 3hss n LEU 240 N -4.47 6.73 0.06 0.26 4.77 -0.89 -4.74 117.00 118.72 3hss n LEU 240 Ca 0.06 -3.52 0.09 0.00 -0.03 0.00 0.00 56.01 52.61 3hss n LEU 240 Cb 0.26 -1.03 0.54 0.00 -2.33 0.00 0.00 43.42 40.87 3hss n LEU 240 CO 0.35 1.27 1.14 1.23 -1.33 0.00 0.00 177.39 180.05 3hss h GLY 241 N 2.39 0.32 2.00 -0.72 0.00 -1.59 0.24 103.07 105.71 3hss h GLY 241 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hss h GLY 241 CO 0.96 0.09 0.00 0.27 0.00 0.00 0.00 176.54 177.86 3hss h PHE 242 N 0.27 0.00 0.01 5.60 -5.15 -1.86 0.47 116.94 116.29 3hss h PHE 242 Ca 0.15 0.00 -0.36 0.00 -0.20 0.00 0.00 57.97 57.56 3hss h PHE 242 Cb 0.24 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.35 3hss h PHE 242 CO -0.00 0.00 -2.28 0.34 -2.00 0.00 0.00 178.31 174.37 3hss n PHE 243 N -2.96 0.25 0.09 6.09 7.35 -0.42 -3.96 117.46 123.90 3hss n PHE 243 Ca 0.02 0.08 -0.20 0.00 -0.76 0.00 0.00 57.45 56.58 3hss n PHE 243 Cb 0.38 -1.04 -0.15 0.00 0.35 0.00 0.00 39.48 39.02 3hss n PHE 243 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3hss h GLU 244 N 0.01 0.37 -2.19 -4.13 4.81 -0.75 -3.38 114.58 109.31 3hss h GLU 244 Ca -0.51 -0.63 -0.57 0.00 -0.13 0.00 0.00 59.36 57.53 3hss h GLU 244 Cb 2.11 0.23 -0.41 0.00 0.63 0.00 0.00 28.75 31.31 3hss h GLU 244 CO 0.01 1.27 -0.78 0.54 -0.73 0.00 0.00 179.01 179.32 3hss n ARG 245 N -3.57 2.47 0.05 1.92 5.12 0.16 -4.96 116.66 117.86 3hss n ARG 245 Ca -0.18 -4.41 0.01 0.00 -1.93 0.00 0.00 57.85 51.34 3hss n ARG 245 Cb 1.07 -2.06 0.34 0.00 -1.16 0.00 0.00 32.46 30.64 3hss n ARG 245 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hss h PRO 246 N 3.26 0.41 -0.17 5.56 0.13 -1.71 -2.54 132.00 136.94 3hss h PRO 246 Ca 0.13 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 3hss h PRO 246 Cb 0.65 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3hss h PRO 246 CO 0.73 0.48 0.02 0.93 -0.23 0.00 0.00 178.00 179.93 3hss h GLU 247 N 0.40 0.28 -0.59 0.86 3.07 -1.92 0.97 114.58 117.66 3hss h GLU 247 Ca 0.08 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3hss h GLU 247 Cb 0.34 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 3hss h GLU 247 CO 0.01 0.46 0.34 0.00 -1.40 0.00 0.00 179.01 178.42 3hss h ALA 248 N 0.81 0.75 -0.18 3.43 0.00 -1.93 -0.61 119.26 121.53 3hss h ALA 248 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hss h ALA 248 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hss h ALA 248 CO 0.00 0.25 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 3hss h VAL 249 N 0.79 1.28 -0.53 0.00 2.07 -1.32 -2.59 116.25 115.95 3hss h VAL 249 Ca 0.21 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3hss h VAL 249 Cb 0.01 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3hss h VAL 249 CO -0.04 0.29 -0.01 0.78 0.02 0.00 0.00 177.57 178.62 3hss h ASN 250 N 0.07 0.92 -0.54 0.57 2.35 -0.64 -1.18 115.58 117.13 3hss h ASN 250 Ca 0.05 -0.31 0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3hss h ASN 250 Cb 0.46 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3hss h ASN 250 CO 0.02 1.01 0.33 0.74 -1.65 0.00 0.00 177.43 177.88 3hss h THR 251 N 0.81 1.07 -0.42 2.81 2.02 -1.13 -0.62 112.91 117.46 3hss h THR 251 Ca 0.15 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 3hss h THR 251 Cb 0.54 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3hss h THR 251 CO 0.03 0.12 0.02 0.00 0.37 0.00 0.00 175.52 176.06 3hss h ALA 252 N 1.23 0.56 -0.58 6.16 0.00 -1.16 -1.20 119.26 124.28 3hss h ALA 252 Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hss h ALA 252 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hss h ALA 252 CO -0.09 0.33 0.28 0.52 0.00 0.00 0.00 179.25 180.29 3hss h MET 253 N 0.57 0.83 -0.14 0.00 2.07 -0.88 -1.57 114.93 115.81 3hss h MET 253 Ca 0.12 -0.12 -0.18 0.00 -2.07 0.00 0.00 59.70 57.45 3hss h MET 253 Cb 0.46 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.04 3hss h MET 253 CO 0.02 0.68 -0.66 -0.07 1.07 0.00 0.00 176.91 177.95 3hss h LEU 254 N 0.78 0.63 -0.30 1.22 3.38 -0.99 0.34 115.31 120.39 3hss h LEU 254 Ca 0.20 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3hss h LEU 254 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hss h LEU 254 CO -0.02 1.12 0.10 0.50 0.09 0.00 0.00 178.44 180.23 3hss h LYS 255 N 0.39 0.23 -0.03 1.13 3.64 -1.18 -2.17 116.57 118.58 3hss h LYS 255 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hss h LYS 255 Cb 1.23 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hss h LYS 255 CO 0.12 0.15 0.02 0.35 -2.27 0.00 0.00 179.45 177.82 3hss h PHE 256 N 0.23 0.04 0.00 1.91 3.57 -0.98 -3.12 116.94 118.59 3hss h PHE 256 Ca 0.13 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3hss h PHE 256 Cb 0.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3hss h PHE 256 CO -0.13 0.04 -0.26 0.74 -2.23 0.00 0.00 178.31 176.46 3hss h PHE 257 N 0.03 0.00 0.00 0.41 0.04 -0.84 -2.27 116.94 114.31 3hss h PHE 257 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hss h PHE 257 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3hss h PHE 257 CO -0.07 0.26 0.00 0.00 -0.60 0.00 0.00 178.31 177.90 3hss h ALA 258 N 1.74 1.00 -0.01 2.45 0.00 -1.32 -3.23 119.26 119.88 3hss h ALA 258 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hss h ALA 258 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hss h ALA 258 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 3hss n SER 259 N -2.61 1.50 -4.77 0.00 7.64 -0.86 -5.09 113.62 109.42 3hss n SER 259 Ca -0.00 -1.46 -0.31 0.00 1.01 0.00 0.00 58.87 58.11 3hss n SER 259 Cb 0.16 -0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.44 3hss n SER 259 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3hss s VAL 260 N -0.47 3.39 0.00 0.44 -7.23 -1.18 -5.12 120.40 110.22 3hss s VAL 260 Ca 0.01 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 3hss s VAL 260 Cb 0.01 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3hss s VAL 260 CO 0.01 -0.59 0.00 0.29 -0.31 0.00 0.00 175.10 174.50