#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4x h LYS 3 N 0.00 0.58 -5.01 4.33 3.64 -1.76 -3.46 116.57 114.89 2h4x h LYS 3 Ca 0.00 -0.37 -0.33 0.00 -1.27 0.00 0.00 60.65 58.68 2h4x h LYS 3 Cb 0.00 0.05 -0.18 0.00 -0.41 0.00 0.00 32.23 31.69 2h4x h LYS 3 CO 0.00 0.99 -0.73 0.71 -2.27 0.00 0.00 179.45 178.14 2h4x s TYR 4 N -3.98 1.11 -0.00 1.91 1.51 -0.73 -5.02 117.35 112.14 2h4x s TYR 4 Ca -0.08 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 2h4x s TYR 4 Cb 0.11 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 2h4x s TYR 4 CO 0.85 0.02 -0.16 0.15 -1.11 0.00 0.00 175.55 175.29 2h4x s LYS 5 N -2.87 1.30 0.02 -0.62 1.02 -1.26 -1.08 119.74 116.25 2h4x s LYS 5 Ca 0.07 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2h4x s LYS 5 Cb -0.03 -1.27 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 2h4x s LYS 5 CO 0.00 0.34 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.58 2h4x s LEU 6 N -0.49 2.17 -0.11 3.17 0.20 -0.22 -4.45 118.68 118.96 2h4x s LEU 6 Ca 0.06 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.54 2h4x s LEU 6 Cb -0.07 0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.72 2h4x s LEU 6 CO -0.00 -0.20 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.01 2h4x s ILE 7 N -1.04 1.94 0.11 6.68 -1.09 -0.84 -0.99 121.20 125.96 2h4x s ILE 7 Ca -0.11 -0.94 0.03 0.00 -2.23 0.00 0.00 60.65 57.41 2h4x s ILE 7 Cb -0.07 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 2h4x s ILE 7 CO -0.01 0.53 -0.09 0.00 -1.23 0.00 0.00 174.94 174.15 2h4x s MET 8 N 0.51 0.88 0.09 2.79 0.23 -0.50 -0.31 119.30 122.99 2h4x s MET 8 Ca -0.15 -1.27 -0.26 0.00 -1.03 0.00 0.00 55.69 52.97 2h4x s MET 8 Cb -0.17 -0.43 0.08 0.00 -1.53 0.00 0.00 34.83 32.77 2h4x s MET 8 CO 0.06 0.05 0.91 -0.48 -2.03 0.00 0.00 175.02 173.52 2h4x s LEU 9 N -2.79 -0.28 -0.01 0.18 0.05 -0.64 -0.30 118.68 114.90 2h4x s LEU 9 Ca 0.10 -0.22 0.03 0.00 0.05 0.00 0.00 54.13 54.09 2h4x s LEU 9 Cb 0.01 2.13 -0.03 0.00 -2.05 0.00 0.00 46.19 46.25 2h4x s LEU 9 CO -0.01 -0.79 -0.08 0.00 -0.55 0.00 0.00 176.35 174.92 2h4x s ARG 10 N -3.25 2.56 1.16 1.48 1.70 -1.26 -1.17 118.95 120.16 2h4x s ARG 10 Ca 0.09 -0.71 -0.13 0.00 -0.47 0.00 0.00 55.73 54.51 2h4x s ARG 10 Cb -0.01 -2.49 0.28 0.00 -0.57 0.00 0.00 34.95 32.15 2h4x s ARG 10 CO -0.03 0.61 1.03 -3.38 -1.08 0.00 0.00 175.30 172.45 2h4x s HIS 11 N -0.94 1.40 0.03 5.89 -3.43 -1.20 -1.07 115.29 115.96 2h4x s HIS 11 Ca 0.16 1.06 -0.00 0.00 -0.80 0.00 0.00 55.06 55.48 2h4x s HIS 11 Cb -0.11 -3.13 0.01 0.00 -1.43 0.00 0.00 32.58 27.92 2h4x s HIS 11 CO 0.06 -3.78 0.04 0.41 -2.00 0.00 0.00 174.74 169.47 2h4x n GLY 12 N 0.39 -0.92 3.59 -1.38 0.00 -1.26 -3.30 105.19 102.30 2h4x n GLY 12 Ca 0.04 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2h4x n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h4x n GLU 13 N -1.08 0.47 -4.36 1.61 1.02 -1.26 -4.82 120.64 112.22 2h4x n GLU 13 Ca 0.01 0.21 -0.19 0.00 -0.02 0.00 0.00 57.16 57.17 2h4x n GLU 13 Cb 0.02 -2.15 -0.10 0.00 -0.02 0.00 0.00 31.44 29.19 2h4x n GLU 13 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2h4x s GLY 14 N -1.61 1.98 0.31 0.62 0.00 -1.26 -2.25 107.32 105.12 2h4x s GLY 14 Ca 0.72 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.70 2h4x s GLY 14 CO 0.52 -1.64 1.85 0.00 0.00 0.00 0.00 173.10 173.83 2h4x h ALA 15 N 2.23 1.66 0.00 3.20 0.00 -1.91 -1.22 119.26 123.22 2h4x h ALA 15 Ca -0.36 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2h4x h ALA 15 Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2h4x h ALA 15 CO 0.58 0.09 0.00 0.91 0.00 0.00 0.00 179.25 180.83 2h4x n TRP 16 N -4.60 0.00 -0.02 0.00 7.02 -1.26 -2.87 117.44 115.71 2h4x n TRP 16 Ca 0.18 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.50 2h4x n TRP 16 Cb 0.41 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.18 2h4x n TRP 16 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2h4x h ASN 17 N 0.00 0.28 -0.02 -0.99 4.21 -1.51 -0.01 115.58 117.53 2h4x h ASN 17 Ca 0.00 -0.83 -0.14 0.00 1.21 0.00 0.00 56.30 56.54 2h4x h ASN 17 Cb 0.00 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2h4x h ASN 17 CO 0.00 1.08 -0.44 0.11 -1.29 0.00 0.00 177.43 176.89 2h4x h LYS 18 N -0.49 0.55 0.00 0.81 1.57 -1.67 -2.37 116.57 114.97 2h4x h LYS 18 Ca -0.05 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2h4x h LYS 18 Cb 1.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2h4x h LYS 18 CO 0.07 0.88 0.00 0.39 -0.57 0.00 0.00 179.45 180.22 2h4x n GLU 19 N -4.01 0.11 -3.57 3.15 1.02 -1.15 -4.94 120.64 111.26 2h4x n GLU 19 Ca -0.02 0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 2h4x n GLU 19 Cb 0.53 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 2h4x n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2h4x n ASN 20 N -1.84 -3.93 -4.23 1.62 5.15 -0.16 -4.85 115.26 107.02 2h4x n ASN 20 Ca 0.05 -0.85 -0.27 0.00 -0.60 0.00 0.00 54.58 52.92 2h4x n ASN 20 Cb 0.33 -4.19 -0.15 0.00 -0.53 0.00 0.00 39.78 35.23 2h4x n ASN 20 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2h4x s ARG 21 N -5.54 1.64 0.10 1.20 0.52 -0.35 -1.38 118.95 115.13 2h4x s ARG 21 Ca 0.27 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 2h4x s ARG 21 Cb -0.07 -1.61 -0.10 0.00 0.52 0.00 0.00 34.95 33.69 2h4x s ARG 21 CO 0.81 0.44 1.87 1.19 0.02 0.00 0.00 175.30 179.62 2h4x n PHE 22 N 2.46 2.60 -0.12 -0.53 3.72 -0.70 -4.76 117.46 120.13 2h4x n PHE 22 Ca -0.15 -0.20 -0.21 0.00 -0.05 0.00 0.00 57.45 56.83 2h4x n PHE 22 Cb 0.53 -2.75 -0.07 0.00 -0.94 0.00 0.00 39.48 36.25 2h4x n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h4x n SER 24 N -4.36 0.00 0.00 0.00 2.88 -1.26 -1.66 113.62 109.22 2h4x n SER 24 Ca -0.37 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.26 2h4x n SER 24 Cb 0.71 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.64 2h4x n SER 24 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2h4x n TRP 25 N 14.00 0.00 -2.02 0.66 7.02 -1.26 -4.73 117.44 131.11 2h4x n TRP 25 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2h4x n TRP 25 Cb 0.00 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 28.60 2h4x n TRP 25 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2h4x s VAL 26 N -2.52 3.31 -0.76 -0.99 1.01 -0.67 -4.86 120.40 114.93 2h4x s VAL 26 Ca 0.18 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 2h4x s VAL 26 Cb 0.12 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.93 2h4x s VAL 26 CO 0.27 -0.01 2.71 -0.67 0.00 0.00 0.00 175.10 177.40 2h4x n ASP 27 N 5.80 5.76 -4.77 3.32 4.64 -1.26 -4.93 116.55 125.11 2h4x n ASP 27 Ca 0.15 -2.37 -0.39 0.00 -1.38 0.00 0.00 54.79 50.80 2h4x n ASP 27 Cb 0.42 -1.24 -0.03 0.00 -1.04 0.00 0.00 41.12 39.22 2h4x n ASP 27 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 2h4x s GLN 28 N 2.23 4.34 0.58 -0.67 0.74 -1.26 -4.83 119.66 120.79 2h4x s GLN 28 Ca 0.54 1.75 -0.07 0.00 0.05 0.00 0.00 55.36 57.63 2h4x s GLN 28 Cb 0.19 -2.87 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 2h4x s GLN 28 CO -0.03 -0.05 0.91 0.15 -0.55 0.00 0.00 175.29 175.72 2h4x s LYS 29 N -1.98 3.17 0.58 1.67 1.02 -1.26 -4.20 119.74 118.74 2h4x s LYS 29 Ca 0.52 0.20 -0.17 0.00 0.02 0.00 0.00 55.97 56.54 2h4x s LYS 29 Cb -0.29 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2h4x s LYS 29 CO 0.37 -0.58 1.09 -0.51 -0.92 0.00 0.00 175.35 174.80 2h4x s LEU 30 N -4.99 3.58 0.00 3.17 1.43 -1.26 -4.27 118.68 116.34 2h4x s LEU 30 Ca 0.53 1.97 0.06 0.00 -1.03 0.00 0.00 54.13 55.66 2h4x s LEU 30 Cb -0.11 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.62 2h4x s LEU 30 CO 0.47 -1.26 0.48 -0.46 0.23 0.00 0.00 176.35 175.81 2h4x n ASN 31 N -1.81 1.46 -0.17 2.29 0.23 -0.95 -4.86 115.26 111.45 2h4x n ASN 31 Ca 0.10 -2.01 -0.02 0.00 -0.53 0.00 0.00 54.58 52.11 2h4x n ASN 31 Cb 0.52 -0.24 0.05 0.00 -2.08 0.00 0.00 39.78 38.04 2h4x n ASN 31 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2h4x h SER 32 N 0.11 -0.34 -0.76 0.53 0.02 -1.97 -1.10 113.55 110.05 2h4x h SER 32 Ca -0.18 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2h4x h SER 32 Cb 0.80 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2h4x h SER 32 CO 0.26 -0.12 0.40 -0.33 -1.14 0.00 0.00 176.83 175.90 2h4x h GLU 33 N 0.06 1.06 -0.49 3.45 5.08 -1.95 -1.98 114.58 119.81 2h4x h GLU 33 Ca 0.26 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2h4x h GLU 33 Cb 0.40 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2h4x h GLU 33 CO -0.48 0.80 0.08 0.78 -1.00 0.00 0.00 179.01 179.19 2h4x h GLY 34 N 1.05 0.82 1.03 -3.84 0.00 -1.40 -0.73 103.07 100.00 2h4x h GLY 34 Ca 0.26 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2h4x h GLY 34 CO -0.04 0.45 -0.03 -0.33 0.00 0.00 0.00 176.54 176.59 2h4x h MET 35 N 0.73 0.92 -0.55 4.80 2.86 -0.89 -2.39 114.93 120.41 2h4x h MET 35 Ca 0.16 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 2h4x h MET 35 Cb 0.33 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2h4x h MET 35 CO 0.00 0.96 0.10 1.49 1.06 0.00 0.00 176.91 180.52 2h4x h GLU 36 N 0.79 0.87 -0.94 1.72 4.57 -0.88 -1.51 114.58 119.20 2h4x h GLU 36 Ca 0.14 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2h4x h GLU 36 Cb 0.57 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 2h4x h GLU 36 CO 0.03 0.80 0.62 0.93 -1.18 0.00 0.00 179.01 180.22 2h4x h GLU 37 N 0.83 1.19 -0.49 1.92 5.08 -0.87 0.05 114.58 122.29 2h4x h GLU 37 Ca 0.17 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2h4x h GLU 37 Cb 0.36 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2h4x h GLU 37 CO 0.01 0.79 -0.03 0.00 -1.00 0.00 0.00 179.01 178.78 2h4x h ALA 38 N 1.43 0.66 -0.53 3.43 0.00 -0.86 -1.91 119.26 121.48 2h4x h ALA 38 Ca 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2h4x h ALA 38 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2h4x h ALA 38 CO -0.09 0.49 0.15 0.00 0.00 0.00 0.00 179.25 179.79 2h4x h ARG 39 N 0.74 0.80 -0.53 0.00 3.08 -0.46 -1.47 114.38 116.53 2h4x h ARG 39 Ca 0.13 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2h4x h ARG 39 Cb 0.55 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2h4x h ARG 39 CO 0.03 0.71 0.01 -0.91 -1.07 0.00 0.00 179.97 178.74 2h4x h ASN 40 N 0.78 0.86 -0.30 7.04 2.35 -0.69 -0.61 115.58 125.01 2h4x h ASN 40 Ca 0.18 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2h4x h ASN 40 Cb 0.26 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2h4x h ASN 40 CO -0.01 0.91 0.15 0.00 -1.65 0.00 0.00 177.43 176.83 2h4x h GLY 42 N 0.35 0.86 1.10 0.00 0.00 -0.91 -0.04 103.07 104.44 2h4x h GLY 42 Ca 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2h4x h GLY 42 CO -0.01 0.20 0.22 0.50 0.00 0.00 0.00 176.54 177.45 2h4x h LYS 43 N 0.69 1.13 -0.61 4.80 1.57 -0.82 -0.28 116.57 123.06 2h4x h LYS 43 Ca 0.25 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2h4x h LYS 43 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2h4x h LYS 43 CO -0.12 0.96 0.01 0.37 -0.57 0.00 0.00 179.45 180.10 2h4x h GLN 44 N 1.08 1.05 -0.11 3.15 5.75 -0.46 -1.00 115.11 124.57 2h4x h GLN 44 Ca 0.23 -0.32 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 2h4x h GLN 44 Cb 0.31 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2h4x h GLN 44 CO -0.01 1.02 -0.54 -0.07 -2.65 0.00 0.00 178.83 176.58 2h4x h LEU 45 N 0.96 0.36 -0.49 -2.39 3.38 -0.74 -2.82 115.31 113.57 2h4x h LEU 45 Ca 0.17 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2h4x h LEU 45 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2h4x h LEU 45 CO 0.03 0.83 -0.23 0.50 0.09 0.00 0.00 178.44 179.65 2h4x h LYS 46 N 0.25 0.98 0.00 1.13 3.64 -0.81 -1.50 116.57 120.27 2h4x h LYS 46 Ca 0.00 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2h4x h LYS 46 Cb 1.04 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2h4x h LYS 46 CO 0.09 1.10 -0.02 0.00 -2.27 0.00 0.00 179.45 178.35 2h4x h ALA 47 N 0.88 1.14 -0.56 5.00 0.00 -1.01 -1.21 119.26 123.49 2h4x h ALA 47 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2h4x h ALA 47 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2h4x h ALA 47 CO 0.07 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2h4x n LEU 48 N -3.31 3.86 -1.62 0.00 4.77 -0.94 -4.97 117.00 114.79 2h4x n LEU 48 Ca -0.02 -2.19 -0.16 0.00 -0.03 0.00 0.00 56.01 53.60 2h4x n LEU 48 Cb 0.14 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 2h4x n LEU 48 CO 0.24 0.84 -0.19 0.59 -1.33 0.00 0.00 177.39 177.55 2h4x n ASN 49 N 1.02 -4.93 -4.72 -1.43 5.03 -0.46 -4.96 115.26 104.80 2h4x n ASN 49 Ca 0.21 0.16 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 2h4x n ASN 49 Cb 0.65 -3.98 -0.03 0.00 -1.02 0.00 0.00 39.78 35.41 2h4x n ASN 49 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2h4x s PHE 50 N -2.74 3.20 -0.34 3.10 0.40 -0.61 -4.98 117.98 116.02 2h4x s PHE 50 Ca 0.00 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 2h4x s PHE 50 Cb 0.00 -3.72 0.10 0.00 0.51 0.00 0.00 43.02 39.92 2h4x s PHE 50 CO 0.00 -2.48 0.09 -1.21 0.70 0.00 0.00 175.22 172.32 2h4x s GLU 51 N 0.82 1.20 0.46 0.44 2.02 -1.26 -4.81 118.70 117.57 2h4x s GLU 51 Ca 0.64 -1.62 -0.21 0.00 0.02 0.00 0.00 54.97 53.80 2h4x s GLU 51 Cb -0.38 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 2h4x s GLU 51 CO 0.32 -0.98 0.99 -0.06 0.02 0.00 0.00 175.26 175.55 2h4x s PHE 52 N 1.07 3.16 -0.03 1.61 0.40 -1.26 -4.65 117.98 118.28 2h4x s PHE 52 Ca 0.11 1.59 0.09 0.00 -0.60 0.00 0.00 56.93 58.13 2h4x s PHE 52 Cb -0.19 -2.95 -0.14 0.00 0.51 0.00 0.00 43.02 40.25 2h4x s PHE 52 CO -0.14 -0.45 0.16 -0.25 0.70 0.00 0.00 175.22 175.24 2h4x n ASP 53 N -0.80 2.88 -3.60 1.36 10.43 0.01 -4.93 116.55 121.90 2h4x n ASP 53 Ca 0.08 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.29 2h4x n ASP 53 Cb 0.53 1.26 -0.07 0.00 1.84 0.00 0.00 41.12 44.68 2h4x n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2h4x s LEU 54 N -3.88 -0.62 -0.06 0.64 2.96 -1.21 -4.32 118.68 112.21 2h4x s LEU 54 Ca -0.04 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2h4x s LEU 54 Cb 0.05 2.41 0.00 0.00 0.50 0.00 0.00 46.19 49.15 2h4x s LEU 54 CO 0.38 -0.38 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.17 2h4x s VAL 55 N -0.23 1.44 -0.06 1.68 1.01 -0.38 -2.21 120.40 121.65 2h4x s VAL 55 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2h4x s VAL 55 Cb -0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2h4x s VAL 55 CO 0.04 0.42 -0.16 -0.36 0.00 0.00 0.00 175.10 175.04 2h4x s PHE 56 N 0.23 2.68 0.31 5.22 0.40 0.06 -0.81 117.98 126.06 2h4x s PHE 56 Ca -0.08 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2h4x s PHE 56 Cb -0.13 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2h4x s PHE 56 CO 0.03 0.07 0.22 0.95 0.70 0.00 0.00 175.22 177.20 2h4x s THR 57 N -0.49 0.10 0.16 0.64 -4.23 -0.13 -0.37 115.64 111.33 2h4x s THR 57 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2h4x s THR 57 Cb -0.12 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2h4x s THR 57 CO 0.02 0.00 0.22 -1.54 -0.54 0.00 0.00 174.62 172.78 2h4x n SER 58 N -1.22 0.34 -1.28 3.99 3.41 -1.24 -1.30 113.62 116.32 2h4x n SER 58 Ca 0.04 -1.28 0.12 0.00 -0.26 0.00 0.00 58.87 57.49 2h4x n SER 58 Cb 0.64 -0.14 0.28 0.00 -0.26 0.00 0.00 64.21 64.72 2h4x n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2h4x n VAL 59 N -1.65 0.78 -2.90 -3.33 0.24 -1.22 -4.23 118.33 106.02 2h4x n VAL 59 Ca 0.04 -0.89 -0.41 0.00 -2.04 0.00 0.00 64.34 61.04 2h4x n VAL 59 Cb 0.14 0.71 -0.04 0.00 -1.47 0.00 0.00 33.84 33.18 2h4x n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2h4x s LEU 60 N -1.22 4.25 0.57 1.34 1.43 -1.26 -4.94 118.68 118.85 2h4x s LEU 60 Ca 0.45 1.28 0.26 0.00 -1.03 0.00 0.00 54.13 55.09 2h4x s LEU 60 Cb 0.25 -3.26 1.58 0.00 0.03 0.00 0.00 46.19 44.79 2h4x s LEU 60 CO 0.33 -0.30 2.11 -0.55 0.23 0.00 0.00 176.35 178.17 2h4x h ASN 61 N 7.07 0.00 0.30 2.29 -1.07 -1.88 -2.15 115.58 120.14 2h4x h ASN 61 Ca -0.35 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.97 2h4x h ASN 61 Cb 1.17 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.41 2h4x h ASN 61 CO 0.80 0.00 -0.24 0.08 0.07 0.00 0.00 177.43 178.14 2h4x h ARG 62 N 0.00 0.00 0.03 4.14 0.11 -1.91 0.52 114.38 117.27 2h4x h ARG 62 Ca 0.09 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.94 2h4x h ARG 62 Cb 0.44 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2h4x h ARG 62 CO -0.00 0.24 -1.11 0.66 0.10 0.00 0.00 179.97 179.86 2h4x h SER 63 N 0.00 0.10 -0.02 0.08 4.64 -1.72 -2.60 113.55 114.03 2h4x h SER 63 Ca -0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2h4x h SER 63 Cb 0.45 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2h4x h SER 63 CO 0.03 1.09 -0.02 0.40 -0.87 0.00 0.00 176.83 177.46 2h4x h ILE 64 N 0.02 1.39 -0.47 0.95 2.04 -1.41 -2.10 117.51 117.93 2h4x h ILE 64 Ca -0.06 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2h4x h ILE 64 Cb 1.84 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 40.05 2h4x h ILE 64 CO 0.14 0.31 0.31 0.45 0.00 0.00 0.00 178.15 179.37 2h4x h HIS 65 N -0.44 0.60 -0.33 1.37 3.86 -1.00 -0.09 115.15 119.11 2h4x h HIS 65 Ca 0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2h4x h HIS 65 Cb 0.52 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2h4x h HIS 65 CO 0.10 0.38 0.14 1.15 0.86 0.00 0.00 177.93 180.55 2h4x h THR 66 N 0.64 1.18 -0.41 2.45 2.02 -1.37 -0.07 112.91 117.36 2h4x h THR 66 Ca 0.17 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2h4x h THR 66 Cb -0.07 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2h4x h THR 66 CO -0.04 0.19 0.25 0.00 0.37 0.00 0.00 175.52 176.30 2h4x h ALA 67 N 0.98 0.52 -0.84 6.16 0.00 -0.60 -0.89 119.26 124.59 2h4x h ALA 67 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h4x h ALA 67 Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2h4x h ALA 67 CO -0.01 0.00 0.52 -1.49 0.00 0.00 0.00 179.25 178.28 2h4x h TRP 68 N 0.54 1.10 -0.33 0.00 6.55 -0.76 0.49 115.95 123.53 2h4x h TRP 68 Ca 0.15 0.01 -0.12 0.00 0.95 0.00 0.00 58.89 59.88 2h4x h TRP 68 Cb -0.02 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 27.91 2h4x h TRP 68 CO -0.04 0.72 -0.27 -0.07 -1.05 0.00 0.00 178.44 177.74 2h4x h LEU 69 N 1.15 0.70 -0.04 -4.49 3.38 -0.71 -1.23 115.31 114.06 2h4x h LEU 69 Ca 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2h4x h LEU 69 Cb -0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2h4x h LEU 69 CO -0.06 0.93 0.00 0.40 0.09 0.00 0.00 178.44 179.80 2h4x h ILE 70 N 0.59 1.24 -0.73 1.22 2.04 -0.69 -2.36 117.51 118.81 2h4x h ILE 70 Ca 0.08 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2h4x h ILE 70 Cb 0.76 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 2h4x h ILE 70 CO 0.06 0.19 0.49 -0.07 0.00 0.00 0.00 178.15 178.82 2h4x h LEU 71 N -0.22 0.83 -0.34 1.44 3.38 -0.80 -1.86 115.31 117.74 2h4x h LEU 71 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2h4x h LEU 71 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2h4x h LEU 71 CO 0.00 0.60 0.13 -0.08 0.09 0.00 0.00 178.44 179.17 2h4x h GLU 72 N 0.98 0.52 -0.28 1.13 4.81 -1.10 0.32 114.58 120.95 2h4x h GLU 72 Ca 0.27 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2h4x h GLU 72 Cb -0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2h4x h GLU 72 CO -0.06 0.53 0.16 0.93 -0.73 0.00 0.00 179.01 179.83 2h4x h GLU 73 N 0.40 0.38 0.00 1.92 4.39 -0.87 -1.04 114.58 119.76 2h4x h GLU 73 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2h4x h GLU 73 Cb 0.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2h4x h GLU 73 CO -0.01 0.27 -0.28 1.28 -1.16 0.00 0.00 179.01 179.12 2h4x n LEU 74 N -4.47 0.33 -2.03 1.33 4.77 -0.75 -4.84 117.00 111.34 2h4x n LEU 74 Ca 0.01 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.10 2h4x n LEU 74 Cb 0.09 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2h4x n LEU 74 CO 0.35 0.04 -0.01 0.61 -1.33 0.00 0.00 177.39 177.06 2h4x n GLY 75 N 1.47 -0.10 0.93 -0.72 0.00 0.20 -4.93 105.19 102.04 2h4x n GLY 75 Ca 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2h4x n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h4x n GLN 76 N -2.86 1.77 0.25 1.61 6.02 0.87 -4.82 117.38 120.23 2h4x n GLN 76 Ca -0.08 -3.34 0.18 0.00 -0.01 0.00 0.00 57.00 53.75 2h4x n GLN 76 Cb 0.58 -1.59 0.87 0.00 1.02 0.00 0.00 30.24 31.12 2h4x n GLN 76 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2h4x h GLU 77 N 1.21 0.00 0.00 -1.09 3.07 -1.91 -0.79 114.58 115.07 2h4x h GLU 77 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2h4x h GLU 77 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2h4x h GLU 77 CO 0.13 0.00 0.00 -2.67 -1.40 0.00 0.00 179.01 175.07 2h4x n TRP 78 N -3.34 0.35 -1.98 4.33 4.27 -1.26 -4.85 117.44 114.96 2h4x n TRP 78 Ca 0.01 0.11 -0.42 0.00 -3.89 0.00 0.00 57.50 53.31 2h4x n TRP 78 Cb 0.36 -0.68 -0.03 0.00 -1.36 0.00 0.00 31.31 29.59 2h4x n TRP 78 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2h4x s VAL 79 N -3.06 2.76 0.29 -1.67 1.01 -0.31 -4.93 120.40 114.49 2h4x s VAL 79 Ca 0.11 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2h4x s VAL 79 Cb 0.14 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 33.05 2h4x s VAL 79 CO 0.49 0.04 1.31 -2.65 0.00 0.00 0.00 175.10 174.29 2h4x n PRO 80 N 4.03 2.01 -5.07 2.72 -0.02 -1.26 -4.83 135.00 132.58 2h4x n PRO 80 Ca 0.13 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 62.04 2h4x n PRO 80 Cb 0.39 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 2h4x n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h4x s VAL 81 N -0.64 1.75 -0.03 -1.45 1.01 -1.26 -1.25 120.40 118.54 2h4x s VAL 81 Ca 0.61 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2h4x s VAL 81 Cb -0.62 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 2h4x s VAL 81 CO 0.57 0.49 -0.13 -1.61 0.00 0.00 0.00 175.10 174.42 2h4x s GLU 82 N -0.21 1.28 0.03 2.72 2.02 0.01 -4.97 118.70 119.58 2h4x s GLU 82 Ca 0.00 -0.47 0.08 0.00 0.02 0.00 0.00 54.97 54.60 2h4x s GLU 82 Cb -0.11 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 2h4x s GLU 82 CO 0.02 0.22 -0.23 -1.12 0.02 0.00 0.00 175.26 174.17 2h4x s SER 83 N -0.04 2.77 -0.08 -0.19 0.01 -1.26 -0.95 113.70 113.96 2h4x s SER 83 Ca -0.00 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 2h4x s SER 83 Cb -0.08 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.92 2h4x s SER 83 CO 0.01 0.22 0.29 -0.55 0.41 0.00 0.00 173.24 173.62 2h4x s SER 84 N -1.07 -0.26 0.61 2.44 0.15 -0.42 -4.89 113.70 110.26 2h4x s SER 84 Ca 0.09 0.42 0.39 0.00 0.70 0.00 0.00 55.95 57.56 2h4x s SER 84 Cb -0.09 0.51 1.92 0.00 -1.71 0.00 0.00 66.02 66.65 2h4x s SER 84 CO 0.01 -0.21 2.19 4.11 1.20 0.00 0.00 173.24 180.55 2h4x h TRP 85 N 5.14 0.00 0.00 3.44 5.08 -1.90 -1.99 115.95 125.71 2h4x h TRP 85 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 2h4x h TRP 85 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 2h4x h TRP 85 CO 0.45 0.01 0.00 0.54 -1.28 0.00 0.00 178.44 178.15 2h4x n ARG 86 N -3.11 0.03 0.00 0.12 1.74 -1.26 -0.90 116.66 113.28 2h4x n ARG 86 Ca -0.01 0.34 0.09 0.00 -0.77 0.00 0.00 57.85 57.50 2h4x n ARG 86 Cb 0.18 -1.56 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2h4x n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h4x n LEU 87 N -1.62 2.40 -4.60 0.55 4.77 -0.75 -4.24 117.00 113.51 2h4x n LEU 87 Ca 0.02 -0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 54.69 2h4x n LEU 87 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2h4x n LEU 87 CO 0.11 0.42 0.49 0.59 -1.33 0.00 0.00 177.39 177.67 2h4x n ASN 88 N 0.81 0.38 -4.70 -1.43 4.13 -0.07 -4.46 115.26 109.92 2h4x n ASN 88 Ca 0.10 0.69 -0.33 0.00 1.68 0.00 0.00 54.58 56.73 2h4x n ASN 88 Cb 0.45 -1.38 0.13 0.00 -1.54 0.00 0.00 39.78 37.44 2h4x n ASN 88 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h4x s GLU 89 N -3.13 1.62 0.29 3.52 2.56 -1.26 -4.65 118.70 117.64 2h4x s GLU 89 Ca 0.73 1.62 -0.30 0.00 0.00 0.00 0.00 54.97 57.03 2h4x s GLU 89 Cb -0.36 -1.79 -0.13 0.00 2.00 0.00 0.00 34.13 33.85 2h4x s GLU 89 CO 0.50 -2.20 1.41 -2.13 -0.56 0.00 0.00 175.26 172.28 2h4x n ARG 90 N -3.49 2.21 -2.58 4.30 0.00 -1.26 -4.72 116.66 111.12 2h4x n ARG 90 Ca 0.12 0.78 -0.43 0.00 -0.00 0.00 0.00 57.85 58.33 2h4x n ARG 90 Cb 0.51 -2.44 -0.02 0.00 0.00 0.00 0.00 32.46 30.51 2h4x n ARG 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2h4x s HIS 91 N -0.42 2.89 -2.04 -0.14 5.65 -1.26 -4.55 115.29 115.43 2h4x s HIS 91 Ca 0.63 0.89 0.21 0.00 0.25 0.00 0.00 55.06 57.04 2h4x s HIS 91 Cb -0.59 -4.13 1.19 0.00 -1.18 0.00 0.00 32.58 27.87 2h4x s HIS 91 CO 0.54 -1.19 1.77 0.66 -0.65 0.00 0.00 174.74 175.88 2h4x n TYR 92 N 7.56 0.02 0.00 3.88 4.02 -1.26 -1.00 117.16 130.37 2h4x n TYR 92 Ca 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 2h4x n TYR 92 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 2h4x n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2h4x n GLY 93 N 0.86 3.23 0.31 2.72 0.00 -1.25 -1.39 105.19 109.68 2h4x n GLY 93 Ca 0.16 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.37 2h4x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h4x h ALA 94 N -0.59 1.03 0.00 4.61 0.00 -0.90 -2.44 119.26 120.96 2h4x h ALA 94 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h4x h ALA 94 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2h4x h ALA 94 CO 0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2h4x n LEU 95 N -3.13 0.40 -4.69 0.00 4.77 -0.48 -4.82 117.00 109.04 2h4x n LEU 95 Ca -0.02 0.57 -0.44 0.00 -0.03 0.00 0.00 56.01 56.09 2h4x n LEU 95 Cb 0.16 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2h4x n LEU 95 CO 0.23 -0.27 1.20 -0.38 -1.33 0.00 0.00 177.39 176.84 2h4x n ILE 96 N -1.90 0.35 0.00 -0.08 5.41 -0.92 -1.54 119.36 120.68 2h4x n ILE 96 Ca 0.04 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2h4x n ILE 96 Cb 0.29 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 2h4x n ILE 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2h4x n GLY 97 N 3.08 2.29 3.82 7.39 0.00 -0.08 -4.96 105.19 116.73 2h4x n GLY 97 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2h4x n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h4x s LEU 98 N 0.00 3.81 -0.27 0.99 1.43 -0.59 -4.71 118.68 119.34 2h4x s LEU 98 Ca 0.00 1.68 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 2h4x s LEU 98 Cb 0.00 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 2h4x s LEU 98 CO 0.00 -0.50 0.79 0.21 0.23 0.00 0.00 176.35 177.08 2h4x s ASN 99 N -2.47 6.72 0.15 2.29 3.84 -1.26 -1.73 114.94 122.49 2h4x s ASN 99 Ca 0.62 0.83 -0.17 0.00 0.21 0.00 0.00 52.86 54.34 2h4x s ASN 99 Cb -0.10 -2.41 0.07 0.00 -0.55 0.00 0.00 41.25 38.25 2h4x s ASN 99 CO 0.20 -0.54 1.72 0.03 -2.79 0.00 0.00 177.10 175.72 2h4x h ARG 100 N 7.91 0.14 -0.47 0.43 3.08 -1.51 -1.37 114.38 122.60 2h4x h ARG 100 Ca -0.24 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 2h4x h ARG 100 Cb 1.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2h4x h ARG 100 CO 0.87 0.10 -0.02 1.49 -1.07 0.00 0.00 179.97 181.33 2h4x h GLU 101 N 0.15 0.78 -0.29 0.04 4.81 -1.77 -1.20 114.58 117.09 2h4x h GLU 101 Ca 0.16 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 2h4x h GLU 101 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2h4x h GLU 101 CO -0.24 0.80 -0.28 0.37 -0.73 0.00 0.00 179.01 178.93 2h4x h GLN 102 N 0.73 0.59 -0.25 1.92 4.15 -1.84 -1.35 115.11 119.05 2h4x h GLN 102 Ca 0.14 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.19 2h4x h GLN 102 Cb 0.47 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2h4x h GLN 102 CO 0.02 0.81 -0.36 1.98 -1.93 0.00 0.00 178.83 179.35 2h4x h MET 103 N 0.51 0.55 -0.33 1.69 4.05 -0.86 -1.41 114.93 119.13 2h4x h MET 103 Ca 0.07 -0.26 -0.12 0.00 -0.28 0.00 0.00 59.70 59.11 2h4x h MET 103 Cb 0.75 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 2h4x h MET 103 CO 0.06 0.83 -0.30 0.00 0.23 0.00 0.00 176.91 177.73 2h4x h ALA 104 N 1.15 0.87 -0.32 0.39 0.00 -0.90 0.87 119.26 121.31 2h4x h ALA 104 Ca 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2h4x h ALA 104 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2h4x h ALA 104 CO 0.07 0.63 0.03 1.25 0.00 0.00 0.00 179.25 181.23 2h4x h LEU 105 N 0.59 0.53 -0.20 0.00 5.85 -0.97 0.44 115.31 121.55 2h4x h LEU 105 Ca 0.07 -0.28 -0.22 0.00 0.84 0.00 0.00 57.88 58.30 2h4x h LEU 105 Cb 0.80 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2h4x h LEU 105 CO 0.07 0.67 -0.93 0.78 -0.34 0.00 0.00 178.44 178.69 2h4x h ASN 106 N 0.36 0.38 -0.00 1.25 2.35 -1.13 -3.38 115.58 115.41 2h4x h ASN 106 Ca 0.09 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2h4x h ASN 106 Cb 0.38 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2h4x h ASN 106 CO 0.01 1.13 -0.10 1.41 -1.65 0.00 0.00 177.43 178.22 2h4x n HIS 107 N -3.68 0.00 0.00 1.19 8.25 0.29 -5.09 115.22 116.17 2h4x n HIS 107 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2h4x n HIS 107 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 2h4x n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h4x n GLY 108 N 0.83 2.25 0.30 -1.41 0.00 0.15 -4.50 105.19 102.81 2h4x n GLY 108 Ca 0.01 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.55 2h4x n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h4x h GLU 109 N 0.00 0.70 -0.32 1.61 5.08 -1.82 -1.61 114.58 118.22 2h4x h GLU 109 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2h4x h GLU 109 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2h4x h GLU 109 CO 0.00 0.46 0.01 0.93 -1.00 0.00 0.00 179.01 179.41 2h4x h GLU 110 N 0.72 0.49 -0.29 2.33 3.07 -1.90 -0.41 114.58 118.58 2h4x h GLU 110 Ca 0.42 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 2h4x h GLU 110 Cb 0.46 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2h4x h GLU 110 CO -0.29 0.51 -0.08 0.37 -1.40 0.00 0.00 179.01 178.12 2h4x h GLN 111 N 0.47 0.56 -0.43 2.33 5.75 -1.53 -1.82 115.11 120.44 2h4x h GLN 111 Ca 0.11 -0.22 -0.13 0.00 -0.15 0.00 0.00 58.65 58.26 2h4x h GLN 111 Cb 0.29 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2h4x h GLN 111 CO 0.01 0.76 -0.23 0.28 -2.65 0.00 0.00 178.83 177.00 2h4x h VAL 112 N 0.32 1.27 -0.54 2.39 2.07 -1.20 -2.09 116.25 118.47 2h4x h VAL 112 Ca 0.07 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 2h4x h VAL 112 Cb 0.56 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2h4x h VAL 112 CO 0.03 0.47 0.25 -0.09 0.02 0.00 0.00 177.57 178.25 2h4x h ARG 113 N 0.76 0.76 -0.04 1.57 2.43 -0.99 0.23 114.38 119.09 2h4x h ARG 113 Ca 0.10 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2h4x h ARG 113 Cb 0.78 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2h4x h ARG 113 CO 0.06 0.60 0.00 1.25 -1.51 0.00 0.00 179.97 180.38 2h4x h LEU 114 N 0.76 0.07 -1.31 3.80 5.85 -0.99 -0.29 115.31 123.20 2h4x h LEU 114 Ca 0.19 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2h4x h LEU 114 Cb 0.09 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2h4x h LEU 114 CO -0.02 0.33 0.37 -0.50 -0.34 0.00 0.00 178.44 178.28 2h4x h TRP 115 N -0.19 0.81 -0.02 1.25 6.55 -0.94 0.11 115.95 123.51 2h4x h TRP 115 Ca 0.01 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.70 2h4x h TRP 115 Cb 0.29 -0.27 0.01 0.00 -0.86 0.00 0.00 29.16 28.33 2h4x h TRP 115 CO 0.02 0.55 -0.59 0.00 -1.05 0.00 0.00 178.44 177.36 2h4x h ARG 116 N 0.86 0.44 -0.00 0.49 3.08 -0.82 -3.40 114.38 115.03 2h4x h ARG 116 Ca 0.22 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2h4x h ARG 116 Cb -0.03 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2h4x h ARG 116 CO -0.04 1.10 -0.38 0.54 -1.07 0.00 0.00 179.97 180.11 2h4x n ARG 117 N -4.21 2.73 -1.71 0.04 5.12 -0.13 -5.02 116.66 113.48 2h4x n ARG 117 Ca -0.10 -0.31 -0.41 0.00 -1.93 0.00 0.00 57.85 55.10 2h4x n ARG 117 Cb 0.66 -1.07 0.01 0.00 -1.16 0.00 0.00 32.46 30.91 2h4x n ARG 117 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2h4x n SER 118 N -0.76 2.66 0.11 0.55 2.88 0.36 -4.22 113.62 115.19 2h4x n SER 118 Ca 0.03 1.10 -0.19 0.00 -1.33 0.00 0.00 58.87 58.49 2h4x n SER 118 Cb 0.20 -1.52 -0.15 0.00 -0.75 0.00 0.00 64.21 62.00 2h4x n SER 118 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h4x h TYR 119 N 2.09 0.64 0.02 0.66 3.20 -1.88 -3.36 116.97 118.33 2h4x h TYR 119 Ca -0.48 -0.47 -0.34 0.00 3.14 0.00 0.00 58.73 60.58 2h4x h TYR 119 Cb 1.29 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 2h4x h TYR 119 CO 0.48 1.40 -2.04 0.09 -1.64 0.00 0.00 178.16 176.45 2h4x n ASN 120 N -3.57 0.98 -4.67 -2.11 4.13 -1.26 -1.32 115.26 107.44 2h4x n ASN 120 Ca -0.13 0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 2h4x n ASN 120 Cb 1.05 0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 39.32 2h4x n ASN 120 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2h4x s VAL 121 N -2.55 3.38 -0.20 2.41 1.01 -1.26 -4.80 120.40 118.39 2h4x s VAL 121 Ca -0.13 0.57 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 2h4x s VAL 121 Cb 0.07 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2h4x s VAL 121 CO 0.79 -0.04 0.37 -0.89 0.00 0.00 0.00 175.10 175.34 2h4x s THR 122 N 3.71 5.22 0.79 3.92 2.01 -1.26 -4.34 115.64 125.69 2h4x s THR 122 Ca 0.75 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 63.29 2h4x s THR 122 Cb -0.36 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.52 2h4x s THR 122 CO 0.32 0.27 1.13 -2.84 -0.69 0.00 0.00 174.62 172.80 2h4x s PRO 123 N 1.25 1.95 0.36 4.92 0.02 -1.26 -4.94 135.00 137.30 2h4x s PRO 123 Ca 0.18 1.42 -0.28 0.00 0.02 0.00 0.00 61.00 62.34 2h4x s PRO 123 Cb -0.15 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 2h4x s PRO 123 CO 0.07 -1.91 1.39 -2.14 -0.33 0.00 0.00 177.00 174.08 2h4x s PRO 124 N -4.52 4.20 0.57 5.54 0.02 -1.26 -4.67 135.00 134.88 2h4x s PRO 124 Ca 0.66 2.38 -0.21 0.00 0.02 0.00 0.00 61.00 63.85 2h4x s PRO 124 Cb -0.21 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 2h4x s PRO 124 CO 0.52 -0.38 1.24 -2.30 -0.33 0.00 0.00 177.00 175.76 2h4x n PRO 125 N 0.57 1.39 -2.63 5.54 -0.02 -1.26 -0.54 135.00 138.05 2h4x n PRO 125 Ca 0.01 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2h4x n PRO 125 Cb 0.41 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2h4x n PRO 125 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2h4x s ILE 126 N -1.35 4.38 0.27 4.25 2.07 -0.25 -3.73 121.20 126.84 2h4x s ILE 126 Ca 0.74 1.88 0.01 0.00 -1.41 0.00 0.00 60.65 61.88 2h4x s ILE 126 Cb -0.42 -4.21 -0.03 0.00 0.13 0.00 0.00 42.46 37.93 2h4x s ILE 126 CO 0.48 0.24 0.45 -1.61 -1.91 0.00 0.00 174.94 172.59 2h4x s GLU 127 N 0.30 3.48 0.65 3.50 0.41 -1.26 -4.91 118.70 120.87 2h4x s GLU 127 Ca 0.50 -0.46 0.43 0.00 -0.41 0.00 0.00 54.97 55.03 2h4x s GLU 127 Cb -0.25 -2.78 2.25 0.00 -1.78 0.00 0.00 34.13 31.57 2h4x s GLU 127 CO 0.30 0.30 2.31 0.93 -0.49 0.00 0.00 175.26 178.62 2h4x h GLU 128 N 1.24 0.00 0.00 1.61 5.08 -1.98 0.87 114.58 121.40 2h4x h GLU 128 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2h4x h GLU 128 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2h4x h GLU 128 CO 0.63 0.00 -0.07 -1.13 -1.00 0.00 0.00 179.01 177.44 2h4x n SER 129 N -3.09 0.20 -4.75 1.42 3.41 -1.26 -4.76 113.62 104.79 2h4x n SER 129 Ca -0.02 0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 58.60 2h4x n SER 129 Cb 0.11 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 2h4x n SER 129 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2h4x s HIS 130 N -3.02 3.01 0.57 7.33 5.04 0.30 -4.90 115.29 123.63 2h4x s HIS 130 Ca 0.13 1.10 0.30 0.00 -1.54 0.00 0.00 55.06 55.05 2h4x s HIS 130 Cb 0.18 -3.80 1.44 0.00 0.04 0.00 0.00 32.58 30.43 2h4x s HIS 130 CO 0.56 -2.52 1.83 -1.35 -2.34 0.00 0.00 174.74 170.92 2h4x h PRO 131 N 4.69 0.00 -0.17 2.88 0.11 -1.88 -1.98 132.00 135.65 2h4x h PRO 131 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2h4x h PRO 131 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2h4x h PRO 131 CO 0.75 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 2h4x n TYR 132 N -3.84 0.34 -0.00 0.65 4.02 -1.26 -4.68 117.16 112.39 2h4x n TYR 132 Ca 0.14 -0.65 -0.12 0.00 -0.01 0.00 0.00 57.90 57.26 2h4x n TYR 132 Cb 0.88 -0.11 -0.08 0.00 -0.02 0.00 0.00 39.34 40.02 2h4x n TYR 132 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2h4x h TYR 133 N 1.06 0.07 0.25 -0.72 3.20 -1.62 -3.05 116.97 116.15 2h4x h TYR 133 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2h4x h TYR 133 Cb 0.84 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 2h4x h TYR 133 CO 0.18 0.30 -0.14 1.96 -1.64 0.00 0.00 178.16 178.82 2h4x h GLN 134 N -0.18 -0.36 -0.13 1.82 1.08 -1.83 -1.71 115.11 113.80 2h4x h GLN 134 Ca 0.01 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2h4x h GLN 134 Cb 0.27 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2h4x h GLN 134 CO 0.00 -0.24 0.35 0.93 -0.95 0.00 0.00 178.83 178.92 2h4x h GLU 135 N -0.37 0.00 0.00 1.46 5.08 -1.86 -2.18 114.58 116.71 2h4x h GLU 135 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2h4x h GLU 135 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2h4x h GLU 135 CO 0.04 0.00 -0.55 -0.89 -1.00 0.00 0.00 179.01 176.61 2h4x n ILE 136 N -3.19 1.39 1.74 3.13 5.41 -0.90 -4.61 119.36 122.34 2h4x n ILE 136 Ca 0.01 0.22 0.15 0.00 1.00 0.00 0.00 62.75 64.13 2h4x n ILE 136 Cb 0.43 -2.37 0.85 0.00 -0.71 0.00 0.00 39.64 37.84 2h4x n ILE 136 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2h4x n TYR 137 N -4.55 0.00 -0.21 1.39 4.02 -0.69 -3.39 117.16 113.73 2h4x n TYR 137 Ca -0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.92 2h4x n TYR 137 Cb 0.28 -0.12 0.31 0.00 -0.02 0.00 0.00 39.34 39.80 2h4x n TYR 137 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2h4x n ASN 138 N -1.06 3.74 -4.79 7.72 3.02 -0.83 -4.93 115.26 118.13 2h4x n ASN 138 Ca 0.20 -2.03 -0.39 0.00 -0.03 0.00 0.00 54.58 52.34 2h4x n ASN 138 Cb 0.18 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 2h4x n ASN 138 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2h4x s ASP 139 N -0.99 6.96 0.55 6.41 -1.08 -1.22 -4.98 116.67 122.32 2h4x s ASP 139 Ca 0.46 1.14 0.23 0.00 -0.52 0.00 0.00 52.55 53.86 2h4x s ASP 139 Cb 0.24 -2.34 1.47 0.00 -1.46 0.00 0.00 42.92 40.84 2h4x s ASP 139 CO 0.31 0.19 2.12 -0.09 0.52 0.00 0.00 175.17 178.22 2h4x h ARG 140 N 5.19 0.00 -0.04 4.34 2.43 -1.92 -2.17 114.38 122.21 2h4x h ARG 140 Ca -0.47 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2h4x h ARG 140 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2h4x h ARG 140 CO 0.67 0.00 0.04 0.07 -1.51 0.00 0.00 179.97 179.23 2h4x h ARG 141 N 0.00 0.00 -0.33 0.20 0.11 -1.96 -0.17 114.38 112.23 2h4x h ARG 141 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 2h4x h ARG 141 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2h4x h ARG 141 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 2h4x n TYR 142 N -3.99 0.43 0.87 4.08 4.01 -0.81 -3.61 117.16 118.13 2h4x n TYR 142 Ca -0.02 -0.22 0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2h4x n TYR 142 Cb 0.13 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.04 2h4x n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2h4x n LYS 143 N 0.92 0.25 -0.61 -0.72 5.02 -0.08 -3.98 118.16 118.95 2h4x n LYS 143 Ca 0.17 -0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.51 2h4x n LYS 143 Cb 0.46 -1.47 0.20 0.00 -0.02 0.00 0.00 35.03 34.19 2h4x n LYS 143 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2h4x n VAL 144 N -1.56 2.10 -2.23 -0.18 0.24 -1.19 -4.89 118.33 110.63 2h4x n VAL 144 Ca 0.03 -3.11 -0.26 0.00 -2.04 0.00 0.00 64.34 58.96 2h4x n VAL 144 Cb 0.34 -0.19 0.11 0.00 -1.47 0.00 0.00 33.84 32.64 2h4x n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h4x n ASP 146 N -3.15 0.00 -3.93 0.00 5.68 -1.26 -4.69 116.55 109.21 2h4x n ASP 146 Ca 0.12 -1.22 -0.10 0.00 -0.50 0.00 0.00 54.79 53.09 2h4x n ASP 146 Cb 0.60 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.47 2h4x n ASP 146 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2h4x s VAL 147 N -2.00 0.08 0.69 2.12 -7.23 -1.26 -5.15 120.40 107.66 2h4x s VAL 147 Ca 0.24 -0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 59.57 2h4x s VAL 147 Cb 0.11 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.80 2h4x s VAL 147 CO 0.18 -0.37 1.11 -2.65 -0.31 0.00 0.00 175.10 173.06 2h4x n PRO 148 N 1.87 0.71 -0.27 4.82 -0.02 -1.26 -4.84 135.00 136.01 2h4x n PRO 148 Ca -0.21 0.30 0.06 0.00 -2.02 0.00 0.00 63.50 61.63 2h4x n PRO 148 Cb 0.56 -2.35 0.20 0.00 -0.02 0.00 0.00 33.50 31.89 2h4x n PRO 148 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2h4x h LEU 149 N 0.01 0.40 -0.88 2.45 5.85 -1.91 0.17 115.31 121.41 2h4x h LEU 149 Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2h4x h LEU 149 Cb 1.34 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2h4x h LEU 149 CO 0.49 0.16 0.00 -0.90 -0.34 0.00 0.00 178.44 177.86 2h4x n ASP 150 N -4.94 0.61 -0.11 1.25 5.75 -1.26 -2.16 116.55 115.69 2h4x n ASP 150 Ca 0.15 0.69 0.11 0.00 -0.01 0.00 0.00 54.79 55.73 2h4x n ASP 150 Cb 0.41 -0.80 0.09 0.00 -1.03 0.00 0.00 41.12 39.79 2h4x n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h4x n GLN 151 N -2.21 0.31 -2.16 0.11 6.02 0.59 -4.94 117.38 115.10 2h4x n GLN 151 Ca 0.01 -0.23 -0.36 0.00 -0.01 0.00 0.00 57.00 56.41 2h4x n GLN 151 Cb 0.17 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.94 2h4x n GLN 151 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h4x s LEU 152 N -2.85 3.81 0.76 1.08 1.43 -0.92 -4.97 118.68 117.03 2h4x s LEU 152 Ca 0.13 2.31 -0.14 0.00 -1.03 0.00 0.00 54.13 55.40 2h4x s LEU 152 Cb 0.17 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.98 2h4x s LEU 152 CO 0.72 -1.26 1.19 -2.16 0.23 0.00 0.00 176.35 175.07 2h4x s PRO 153 N -3.11 1.97 0.00 1.29 0.04 -1.26 -4.94 135.00 128.99 2h4x s PRO 153 Ca 0.71 1.69 0.07 0.00 0.04 0.00 0.00 61.00 63.52 2h4x s PRO 153 Cb -0.28 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2h4x s PRO 153 CO 0.32 -1.95 0.47 0.54 0.04 0.00 0.00 177.00 176.42 2h4x n ARG 154 N -3.00 2.96 -3.64 4.56 3.00 -1.26 -5.02 116.66 114.25 2h4x n ARG 154 Ca 0.13 -0.37 -0.02 0.00 -0.01 0.00 0.00 57.85 57.58 2h4x n ARG 154 Cb 0.51 -0.95 -0.03 0.00 0.00 0.00 0.00 32.46 31.98 2h4x n ARG 154 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2h4x s SER 155 N -1.29 -0.05 -0.09 0.55 1.04 -1.26 -1.09 113.70 111.51 2h4x s SER 155 Ca 0.05 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 2h4x s SER 155 Cb 0.06 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2h4x s SER 155 CO 0.22 -0.06 0.32 -1.61 0.98 0.00 0.00 173.24 173.10 2h4x s GLU 156 N -1.37 0.48 0.61 4.02 2.02 -0.17 -4.92 118.70 119.37 2h4x s GLU 156 Ca 0.09 0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.30 2h4x s GLU 156 Cb -0.01 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.48 2h4x s GLU 156 CO -0.06 -0.09 0.89 -1.54 0.02 0.00 0.00 175.26 174.48 2h4x s SER 157 N -0.30 5.17 0.41 -0.19 1.04 -1.26 -4.30 113.70 114.27 2h4x s SER 157 Ca -0.04 0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.79 2h4x s SER 157 Cb -0.03 -1.15 0.88 0.00 0.10 0.00 0.00 66.02 65.81 2h4x s SER 157 CO 0.02 -1.29 2.03 0.25 0.98 0.00 0.00 173.24 175.23 2h4x h LEU 158 N -0.23 0.38 -0.51 2.42 5.85 -1.66 -1.46 115.31 120.09 2h4x h LEU 158 Ca -0.44 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2h4x h LEU 158 Cb 1.30 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2h4x h LEU 158 CO 0.57 0.32 0.22 0.50 -0.34 0.00 0.00 178.44 179.71 2h4x h LYS 159 N 0.43 0.76 -0.93 1.25 3.64 -1.52 -1.66 116.57 118.54 2h4x h LYS 159 Ca 0.11 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2h4x h LYS 159 Cb 0.04 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 2h4x h LYS 159 CO -0.02 0.66 0.61 -0.44 -2.27 0.00 0.00 179.45 178.00 2h4x h ASP 160 N 0.69 1.03 0.08 4.20 3.32 -1.58 -1.29 116.42 122.87 2h4x h ASP 160 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2h4x h ASP 160 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2h4x h ASP 160 CO -0.02 0.72 -0.08 0.58 -1.72 0.00 0.00 179.24 178.73 2h4x h VAL 161 N 1.20 0.82 -0.99 -1.35 2.07 -0.81 -2.41 116.25 114.78 2h4x h VAL 161 Ca 0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.92 2h4x h VAL 161 Cb -0.06 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2h4x h VAL 161 CO -0.10 0.00 0.65 0.25 0.02 0.00 0.00 177.57 178.39 2h4x h LEU 162 N -0.17 1.07 -1.81 2.57 5.85 -0.91 -0.17 115.31 121.74 2h4x h LEU 162 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2h4x h LEU 162 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2h4x h LEU 162 CO -0.02 0.72 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.47 2h4x h GLU 163 N 1.23 0.11 0.00 1.25 5.08 -0.78 0.19 114.58 121.66 2h4x h GLU 163 Ca 0.40 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2h4x h GLU 163 Cb 0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2h4x h GLU 163 CO -0.13 0.12 -0.99 2.89 -1.00 0.00 0.00 179.01 179.91 2h4x n ARG 164 N -4.47 0.01 -0.04 2.33 -4.01 -0.79 -4.34 116.66 105.36 2h4x n ARG 164 Ca -0.02 -0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.62 2h4x n ARG 164 Cb 0.13 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 27.91 2h4x n ARG 164 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2h4x n LEU 165 N -1.51 2.12 -0.28 2.89 0.00 -0.14 -4.37 117.00 115.71 2h4x n LEU 165 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 56.01 56.24 2h4x n LEU 165 Cb 0.33 -0.66 0.19 0.00 0.00 0.00 0.00 43.42 43.28 2h4x n LEU 165 CO 0.43 0.75 1.09 0.25 0.00 0.00 0.00 177.39 179.91 2h4x h LEU 166 N 0.03 0.51 -1.22 -1.96 5.85 -0.84 -1.35 115.31 116.33 2h4x h LEU 166 Ca -0.45 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.41 2h4x h LEU 166 Cb 2.02 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.99 2h4x h LEU 166 CO 0.04 0.25 0.55 -0.65 -0.34 0.00 0.00 178.44 178.29 2h4x h PRO 167 N 0.63 0.91 -0.25 5.25 0.11 -1.77 0.68 132.00 137.56 2h4x h PRO 167 Ca 0.41 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.34 2h4x h PRO 167 Cb 0.52 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 2h4x h PRO 167 CO -0.32 0.60 -0.37 -0.92 -0.21 0.00 0.00 178.00 176.78 2h4x h TYR 168 N 0.93 0.85 -0.18 0.65 3.20 -1.49 -0.32 116.97 120.62 2h4x h TYR 168 Ca 0.37 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2h4x h TYR 168 Cb 0.23 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2h4x h TYR 168 CO -0.00 1.05 0.11 2.35 -1.64 0.00 0.00 178.16 180.03 2h4x h TRP 169 N 0.41 0.23 -0.20 -3.82 2.91 -0.68 0.74 115.95 115.54 2h4x h TRP 169 Ca 0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2h4x h TRP 169 Cb 0.96 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 2h4x h TRP 169 CO 0.08 0.18 0.09 -0.91 -1.03 0.00 0.00 178.44 176.85 2h4x h ASN 170 N 0.22 0.27 0.13 2.65 -0.26 -0.86 0.62 115.58 118.35 2h4x h ASN 170 Ca 0.06 -0.13 -0.28 0.00 -0.56 0.00 0.00 56.30 55.40 2h4x h ASN 170 Cb 0.01 -0.07 0.03 0.00 -1.06 0.00 0.00 38.32 37.23 2h4x h ASN 170 CO -0.01 0.32 -1.16 -0.33 -1.06 0.00 0.00 177.43 175.19 2h4x h GLU 171 N 0.19 0.56 0.00 0.81 5.08 -0.98 -3.39 114.58 116.85 2h4x h GLU 171 Ca 0.07 -0.77 -0.26 0.00 -1.00 0.00 0.00 59.36 57.39 2h4x h GLU 171 Cb 0.13 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2h4x h GLU 171 CO -0.01 1.35 -1.89 0.54 -1.00 0.00 0.00 179.01 178.00 2h4x n ARG 172 N -3.87 0.35 -0.04 2.33 5.12 0.24 -4.73 116.66 116.05 2h4x n ARG 172 Ca -0.14 0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 2h4x n ARG 172 Cb 0.95 -1.12 -0.08 0.00 -1.16 0.00 0.00 32.46 31.06 2h4x n ARG 172 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2h4x h ILE 173 N -0.46 1.02 -0.62 0.55 2.04 -1.35 -3.35 117.51 115.34 2h4x h ILE 173 Ca -0.39 -1.65 0.13 0.00 1.00 0.00 0.00 64.86 63.95 2h4x h ILE 173 Cb 1.39 1.89 -0.10 0.00 -0.74 0.00 0.00 36.82 39.26 2h4x h ILE 173 CO -0.21 0.33 0.01 0.00 0.00 0.00 0.00 178.15 178.28 2h4x h ALA 174 N -0.37 0.61 -0.98 1.87 0.00 0.03 -1.40 119.26 119.01 2h4x h ALA 174 Ca -0.00 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2h4x h ALA 174 Cb 0.58 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2h4x h ALA 174 CO 0.01 -0.39 0.63 -1.35 0.00 0.00 0.00 179.25 178.14 2h4x h PRO 175 N 0.12 0.97 -0.51 0.00 0.11 -1.75 -1.47 132.00 129.46 2h4x h PRO 175 Ca 0.32 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 2h4x h PRO 175 Cb 0.52 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2h4x h PRO 175 CO -0.52 0.64 -0.16 0.93 -0.21 0.00 0.00 178.00 178.68 2h4x h GLU 176 N 1.00 1.01 -0.59 1.05 4.39 -1.40 -2.48 114.58 117.56 2h4x h GLU 176 Ca 0.47 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2h4x h GLU 176 Cb 0.43 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2h4x h GLU 176 CO -0.23 1.09 0.29 0.28 -1.16 0.00 0.00 179.01 179.28 2h4x h VAL 177 N 0.88 1.21 0.00 3.13 2.07 -0.85 -1.83 116.25 120.86 2h4x h VAL 177 Ca 0.13 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2h4x h VAL 177 Cb 0.73 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2h4x h VAL 177 CO 0.06 0.23 -0.09 -0.07 0.02 0.00 0.00 177.57 177.71 2h4x h LEU 178 N 0.80 0.00 0.00 2.57 3.38 -1.16 -0.43 115.31 120.47 2h4x h LEU 178 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2h4x h LEU 178 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2h4x h LEU 178 CO -0.03 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.14 2h4x n ARG 179 N -3.83 0.71 -0.48 1.13 1.74 -0.73 -4.88 116.66 110.33 2h4x n ARG 179 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2h4x n ARG 179 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2h4x n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h4x n GLY 180 N 1.04 0.75 3.77 -0.13 0.00 -0.17 -5.05 105.19 105.40 2h4x n GLY 180 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2h4x n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h4x s LYS 181 N -0.52 4.30 -0.38 1.61 1.02 -0.97 -4.99 119.74 119.80 2h4x s LYS 181 Ca 0.00 1.65 -0.21 0.00 0.02 0.00 0.00 55.97 57.42 2h4x s LYS 181 Cb 0.00 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2h4x s LYS 181 CO 0.00 -0.05 0.69 0.99 -0.92 0.00 0.00 175.35 176.06 2h4x s THR 182 N -1.47 4.82 -0.02 2.17 2.01 -1.26 -4.52 115.64 117.37 2h4x s THR 182 Ca 0.53 0.58 0.00 0.00 0.31 0.00 0.00 61.69 63.12 2h4x s THR 182 Cb -0.26 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2h4x s THR 182 CO 0.33 -0.42 0.02 -0.63 -0.69 0.00 0.00 174.62 173.23 2h4x s ILE 183 N 2.88 4.33 -0.12 1.82 -1.09 -1.26 -0.81 121.20 126.95 2h4x s ILE 183 Ca 0.26 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 2h4x s ILE 183 Cb -0.14 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 2h4x s ILE 183 CO 0.17 0.42 -0.22 -0.22 -1.23 0.00 0.00 174.94 173.85 2h4x s LEU 184 N -1.46 2.17 -0.28 2.97 2.96 -0.94 -1.99 118.68 122.12 2h4x s LEU 184 Ca 0.19 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2h4x s LEU 184 Cb -0.12 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.17 2h4x s LEU 184 CO 0.09 0.13 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.60 2h4x s ILE 185 N 0.50 2.86 -0.59 6.68 1.01 0.58 -0.76 121.20 131.48 2h4x s ILE 185 Ca -0.14 -1.32 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 2h4x s ILE 185 Cb -0.17 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.84 2h4x s ILE 185 CO 0.05 -0.01 0.58 -0.55 0.00 0.00 0.00 174.94 175.01 2h4x s SER 186 N 1.25 6.26 0.00 3.58 0.15 0.50 -1.62 113.70 123.82 2h4x s SER 186 Ca -0.04 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 54.80 2h4x s SER 186 Cb -0.19 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2h4x s SER 186 CO -0.02 -0.89 0.00 0.00 1.20 0.00 0.00 173.24 173.53 2h4x n ALA 187 N 5.37 0.00 -2.50 5.45 0.00 -0.32 -3.67 120.51 124.85 2h4x n ALA 187 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2h4x n ALA 187 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 2h4x n ALA 187 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2h4x s HIS 188 N 2.88 1.82 0.12 0.00 3.76 -1.26 -3.26 115.29 119.35 2h4x s HIS 188 Ca 0.00 -1.19 -0.32 0.00 -0.15 0.00 0.00 55.06 53.40 2h4x s HIS 188 Cb 0.00 -1.19 -0.10 0.00 1.11 0.00 0.00 32.58 32.39 2h4x s HIS 188 CO 0.00 -0.21 1.57 0.78 -0.85 0.00 0.00 174.74 176.03 2h4x h GLY 189 N 1.88 -0.95 1.45 -2.22 0.00 -1.93 -1.09 103.07 100.21 2h4x h GLY 189 Ca -0.37 0.59 -0.26 0.00 0.00 0.00 0.00 47.33 47.29 2h4x h GLY 189 CO 0.61 -0.24 -1.38 3.43 0.00 0.00 0.00 176.54 178.96 2h4x h ASN 190 N -0.62 0.03 0.42 0.19 2.35 -1.97 -2.82 115.58 113.16 2h4x h ASN 190 Ca 0.03 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2h4x h ASN 190 Cb 0.69 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2h4x h ASN 190 CO -0.35 1.03 -0.36 0.77 -1.65 0.00 0.00 177.43 176.87 2h4x h SER 191 N 0.00 0.00 -0.08 5.81 4.64 -1.82 -0.48 113.55 121.63 2h4x h SER 191 Ca -0.16 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.93 2h4x h SER 191 Cb 1.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.01 2h4x h SER 191 CO 0.11 0.36 -0.82 0.28 -0.87 0.00 0.00 176.83 175.89 2h4x h SER 192 N 0.00 0.89 -0.96 4.97 0.02 -1.26 -2.61 113.55 114.60 2h4x h SER 192 Ca -0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2h4x h SER 192 Cb 0.67 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 2h4x h SER 192 CO 0.05 1.40 0.60 0.03 -1.14 0.00 0.00 176.83 177.77 2h4x h ARG 193 N 0.49 1.29 -0.23 3.45 3.08 -1.17 -0.71 114.38 120.58 2h4x h ARG 193 Ca -0.06 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2h4x h ARG 193 Cb 1.45 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2h4x h ARG 193 CO 0.17 0.88 0.14 0.00 -1.07 0.00 0.00 179.97 180.09 2h4x h ALA 194 N 1.35 0.29 -0.64 0.04 0.00 -0.99 -1.12 119.26 118.18 2h4x h ALA 194 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2h4x h ALA 194 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2h4x h ALA 194 CO -0.07 -0.22 0.06 1.25 0.00 0.00 0.00 179.25 180.27 2h4x h LEU 195 N 0.29 1.06 -0.86 0.00 6.46 -1.08 -2.72 115.31 118.46 2h4x h LEU 195 Ca 0.08 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 2h4x h LEU 195 Cb -0.00 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.60 2h4x h LEU 195 CO -0.02 1.07 0.43 -0.07 -0.62 0.00 0.00 178.44 179.24 2h4x h LEU 196 N 1.01 1.11 -0.71 2.25 3.38 -0.92 -0.52 115.31 120.91 2h4x h LEU 196 Ca 0.19 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2h4x h LEU 196 Cb 0.50 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2h4x h LEU 196 CO 0.02 0.92 0.42 0.50 0.09 0.00 0.00 178.44 180.39 2h4x h LYS 197 N 1.22 0.75 0.22 1.13 3.64 -0.91 0.68 116.57 123.31 2h4x h LYS 197 Ca 0.30 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2h4x h LYS 197 Cb 0.09 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2h4x h LYS 197 CO -0.04 0.50 -0.11 1.25 -2.27 0.00 0.00 179.45 178.78 2h4x h HIS 198 N 0.78 -0.28 -0.49 1.91 2.76 -1.18 -0.21 115.15 118.44 2h4x h HIS 198 Ca 0.31 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2h4x h HIS 198 Cb 0.15 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 2h4x h HIS 198 CO -0.06 0.07 0.09 -0.07 -1.30 0.00 0.00 177.93 176.66 2h4x h LEU 199 N -0.67 0.70 -1.23 0.26 3.38 -0.93 -2.96 115.31 113.86 2h4x h LEU 199 Ca -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2h4x h LEU 199 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2h4x h LEU 199 CO 0.05 0.71 -0.17 -0.62 0.09 0.00 0.00 178.44 178.50 2h4x n GLU 200 N -4.27 1.63 -3.53 1.13 1.02 0.22 -1.17 120.64 115.66 2h4x n GLU 200 Ca 0.03 -1.23 -0.22 0.00 -0.02 0.00 0.00 57.16 55.72 2h4x n GLU 200 Cb 0.23 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.26 2h4x n GLU 200 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h4x n GLY 201 N 1.33 -0.46 3.74 0.62 0.00 -0.32 -4.93 105.19 105.18 2h4x n GLY 201 Ca 0.13 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 2h4x n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h4x s ILE 202 N -3.31 3.57 0.78 -0.61 1.01 -0.24 -5.01 121.20 117.39 2h4x s ILE 202 Ca 0.52 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 62.43 2h4x s ILE 202 Cb -0.23 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2h4x s ILE 202 CO 0.69 0.24 1.09 -0.94 0.00 0.00 0.00 174.94 176.02 2h4x s SER 203 N -0.09 4.48 0.47 3.58 1.04 -1.26 -4.81 113.70 117.12 2h4x s SER 203 Ca 0.51 1.67 0.17 0.00 0.48 0.00 0.00 55.95 58.78 2h4x s SER 203 Cb -0.32 -2.41 1.16 0.00 0.10 0.00 0.00 66.02 64.55 2h4x s SER 203 CO 0.38 -2.03 2.03 0.44 0.98 0.00 0.00 173.24 175.04 2h4x h ASP 204 N -1.12 0.21 0.01 7.02 5.19 -1.99 -1.63 116.42 124.10 2h4x h ASP 204 Ca -0.45 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.91 2h4x h ASP 204 Cb 1.24 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.71 2h4x h ASP 204 CO 0.54 0.13 -0.24 -0.33 -3.12 0.00 0.00 179.24 176.22 2h4x h GLU 205 N 0.23 0.14 0.00 3.56 3.07 -2.01 -3.35 114.58 116.22 2h4x h GLU 205 Ca 0.20 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2h4x h GLU 205 Cb 0.50 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2h4x h GLU 205 CO -0.04 0.95 -0.28 -0.44 -1.40 0.00 0.00 179.01 177.81 2h4x h ASP 206 N -0.61 0.00 0.23 1.42 3.32 -1.84 -3.02 116.42 115.92 2h4x h ASP 206 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2h4x h ASP 206 Cb 1.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2h4x h ASP 206 CO 0.05 0.28 -0.07 -0.29 -1.72 0.00 0.00 179.24 177.49 2h4x h ILE 207 N 0.00 0.50 0.00 0.35 6.09 -1.43 -2.19 117.51 120.83 2h4x h ILE 207 Ca -0.00 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 63.15 2h4x h ILE 207 Cb 0.64 1.21 -0.00 0.00 0.47 0.00 0.00 36.82 39.13 2h4x h ILE 207 CO 0.04 0.07 -0.10 0.40 -3.07 0.00 0.00 178.15 175.48 2h4x h ILE 208 N 0.00 1.01 -0.02 2.19 2.04 -1.70 -2.39 117.51 118.64 2h4x h ILE 208 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2h4x h ILE 208 Cb 0.20 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2h4x h ILE 208 CO 0.01 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.85 2h4x n ASN 209 N -4.32 1.07 -4.56 1.72 3.02 -0.82 -4.81 115.26 106.56 2h4x n ASN 209 Ca -0.03 -1.38 -0.41 0.00 -0.03 0.00 0.00 54.58 52.74 2h4x n ASN 209 Cb 0.18 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 2h4x n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h4x s ILE 210 N -1.99 5.08 -0.08 2.41 -1.09 -0.90 -5.04 121.20 119.58 2h4x s ILE 210 Ca 0.40 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 59.14 2h4x s ILE 210 Cb 0.21 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2h4x s ILE 210 CO 0.34 -0.14 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.83 2h4x s THR 211 N 2.25 1.68 -0.16 2.92 2.01 -1.26 -5.03 115.64 118.04 2h4x s THR 211 Ca 0.16 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 2h4x s THR 211 Cb -0.16 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2h4x s THR 211 CO 0.12 0.48 0.11 -0.76 -0.69 0.00 0.00 174.62 173.88 2h4x s LEU 212 N 0.44 4.17 0.51 4.42 1.43 -1.26 -4.92 118.68 123.46 2h4x s LEU 212 Ca -0.16 0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 2h4x s LEU 212 Cb -0.17 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 2h4x s LEU 212 CO 0.07 0.28 1.04 -2.16 0.23 0.00 0.00 176.35 175.80 2h4x s PRO 213 N -0.23 3.72 0.39 1.29 0.04 -1.26 -4.92 135.00 134.03 2h4x s PRO 213 Ca 0.10 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 2h4x s PRO 213 Cb -0.12 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2h4x s PRO 213 CO 0.01 -0.50 0.97 0.95 0.04 0.00 0.00 177.00 178.47 2h4x s THR 214 N -2.07 4.17 -1.32 1.26 -4.23 -1.26 -4.22 115.64 107.97 2h4x s THR 214 Ca 0.66 1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 62.72 2h4x s THR 214 Cb -0.16 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2h4x s THR 214 CO 0.23 -0.10 0.70 0.61 -0.54 0.00 0.00 174.62 175.52 2h4x n GLY 215 N -0.03 -0.30 2.74 3.99 0.00 -0.23 -4.89 105.19 106.48 2h4x n GLY 215 Ca 0.05 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2h4x n GLY 215 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h4x s VAL 216 N -3.67 0.20 0.29 1.61 1.01 -1.26 -4.67 120.40 113.92 2h4x s VAL 216 Ca 0.04 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2h4x s VAL 216 Cb -0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.86 2h4x s VAL 216 CO 0.82 0.22 1.55 -2.84 0.00 0.00 0.00 175.10 174.85 2h4x s PRO 217 N 1.96 4.15 -0.27 2.72 0.02 -1.26 -4.56 135.00 137.77 2h4x s PRO 217 Ca 0.04 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 2h4x s PRO 217 Cb -0.12 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.40 2h4x s PRO 217 CO -0.04 -0.57 -0.03 0.42 -0.33 0.00 0.00 177.00 176.45 2h4x s ILE 218 N -0.16 2.99 -0.10 2.83 1.01 0.59 -1.13 121.20 127.24 2h4x s ILE 218 Ca 0.61 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.96 2h4x s ILE 218 Cb -0.46 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2h4x s ILE 218 CO 0.49 0.09 0.51 -0.22 0.00 0.00 0.00 174.94 175.81 2h4x s LEU 219 N 1.32 4.29 -0.09 2.97 2.96 0.51 -1.41 118.68 129.23 2h4x s LEU 219 Ca -0.01 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 2h4x s LEU 219 Cb -0.18 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.77 2h4x s LEU 219 CO -0.03 -0.00 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.65 2h4x s LEU 220 N 0.57 1.65 -0.22 -0.68 2.96 -0.16 -0.89 118.68 121.90 2h4x s LEU 220 Ca 0.28 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 2h4x s LEU 220 Cb -0.16 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 2h4x s LEU 220 CO 0.12 0.02 0.03 -1.61 -1.32 0.00 0.00 176.35 173.59 2h4x s GLU 221 N 0.86 3.65 0.22 1.98 2.02 -1.26 -1.05 118.70 125.11 2h4x s GLU 221 Ca -0.10 -0.49 0.09 0.00 0.02 0.00 0.00 54.97 54.48 2h4x s GLU 221 Cb -0.15 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2h4x s GLU 221 CO 0.01 -0.07 -0.03 -0.51 0.02 0.00 0.00 175.26 174.68 2h4x s LEU 222 N 1.26 3.17 0.00 1.80 1.43 -0.24 -0.46 118.68 125.65 2h4x s LEU 222 Ca 0.04 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2h4x s LEU 222 Cb -0.15 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2h4x s LEU 222 CO 0.02 0.05 0.53 -0.90 0.23 0.00 0.00 176.35 176.28 2h4x n ASP 223 N -0.43 0.94 0.23 2.29 5.68 -0.22 -1.78 116.55 123.26 2h4x n ASP 223 Ca -0.09 -1.74 0.18 0.00 -0.50 0.00 0.00 54.79 52.65 2h4x n ASP 223 Cb 0.57 -0.32 0.83 0.00 -1.14 0.00 0.00 41.12 41.05 2h4x n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2h4x h GLU 224 N 0.00 0.00 -0.73 0.11 5.08 -1.97 0.31 114.58 117.39 2h4x h GLU 224 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2h4x h GLU 224 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2h4x h GLU 224 CO 0.21 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 2h4x n ASN 225 N -3.39 4.16 -1.76 1.42 3.02 -1.26 -4.94 115.26 112.52 2h4x n ASN 225 Ca 0.02 -2.09 -0.16 0.00 -0.03 0.00 0.00 54.58 52.31 2h4x n ASN 225 Cb 0.42 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 2h4x n ASN 225 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2h4x n LEU 226 N 1.56 -1.67 -4.78 3.41 4.77 0.11 -5.01 117.00 115.40 2h4x n LEU 226 Ca 0.25 0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 2h4x n LEU 226 Cb 0.68 -2.36 -0.08 0.00 -2.33 0.00 0.00 43.42 39.34 2h4x n LEU 226 CO 0.18 -0.23 -0.21 -0.13 -1.33 0.00 0.00 177.39 175.67 2h4x s ARG 227 N -4.66 3.58 0.29 3.23 0.52 -1.26 -4.77 118.95 115.89 2h4x s ARG 227 Ca 0.00 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 2h4x s ARG 227 Cb 0.00 -3.16 -0.13 0.00 0.52 0.00 0.00 34.95 32.18 2h4x s ARG 227 CO 0.00 0.60 1.36 0.00 0.02 0.00 0.00 175.30 177.28 2h4x n ALA 228 N 2.54 1.30 0.09 2.13 0.00 -0.32 -1.06 120.51 125.19 2h4x n ALA 228 Ca -0.18 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.67 2h4x n ALA 228 Cb 0.54 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 2h4x n ALA 228 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h4x h VAL 229 N 2.83 0.53 -3.47 0.00 2.07 -1.09 -3.46 116.25 113.66 2h4x h VAL 229 Ca -0.46 -1.89 -0.11 0.00 0.82 0.00 0.00 66.70 65.07 2h4x h VAL 229 Cb 1.28 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.10 2h4x h VAL 229 CO 0.70 0.30 0.06 -0.83 0.02 0.00 0.00 177.57 177.82 2h4x s GLY 230 N -4.59 0.74 0.80 2.17 0.00 -1.26 -5.12 107.32 100.07 2h4x s GLY 230 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 2h4x s GLY 230 CO 0.78 -0.57 1.12 2.56 0.00 0.00 0.00 173.10 176.99 2h4x s PRO 231 N -2.91 1.88 0.70 2.90 0.04 -1.26 -4.79 135.00 131.57 2h4x s PRO 231 Ca 0.21 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 2h4x s PRO 231 Cb -0.03 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2h4x s PRO 231 CO 0.14 -1.95 1.12 -2.39 0.04 0.00 0.00 177.00 173.96 2h4x n HIS 232 N -3.57 1.23 -4.07 0.56 1.44 -1.26 -4.90 115.22 104.66 2h4x n HIS 232 Ca 0.11 0.41 -0.32 0.00 -2.01 0.00 0.00 57.72 55.91 2h4x n HIS 232 Cb 0.52 -2.16 -0.16 0.00 0.12 0.00 0.00 29.99 28.32 2h4x n HIS 232 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2h4x s GLN 233 N -3.44 2.47 -0.07 -1.40 0.74 -0.06 -4.96 119.66 112.93 2h4x s GLN 233 Ca 0.77 -1.00 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 2h4x s GLN 233 Cb -0.35 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 2h4x s GLN 233 CO 0.46 -0.39 1.19 -0.06 -0.55 0.00 0.00 175.29 175.94 2h4x s PHE 234 N 1.26 3.18 -0.48 1.67 0.40 -1.26 -0.36 117.98 122.38 2h4x s PHE 234 Ca -0.01 1.23 -0.24 0.00 -0.60 0.00 0.00 56.93 57.30 2h4x s PHE 234 Cb -0.16 -3.41 0.03 0.00 0.51 0.00 0.00 43.02 39.99 2h4x s PHE 234 CO -0.09 -1.25 0.89 -0.51 0.70 0.00 0.00 175.22 174.95 2h4x s LEU 235 N 2.34 4.12 0.00 -0.37 1.43 -0.28 -4.90 118.68 121.02 2h4x s LEU 235 Ca 0.55 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2h4x s LEU 235 Cb -0.24 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 42.97 2h4x s LEU 235 CO 0.21 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.33 2h4x n GLY 236 N 5.01 -0.26 3.63 -3.19 0.00 -1.26 -4.44 105.19 104.67 2h4x n GLY 236 Ca 0.04 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2h4x n GLY 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h4x s ASP 237 N -4.00 6.64 0.36 1.61 2.15 -1.26 -4.91 116.67 117.26 2h4x s ASP 237 Ca 0.00 1.14 0.08 0.00 0.43 0.00 0.00 52.55 54.20 2h4x s ASP 237 Cb 0.00 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.88 2h4x s ASP 237 CO 0.00 -1.12 1.91 1.56 -0.17 0.00 0.00 175.17 177.36 2h4x h GLN 238 N 9.40 0.68 -0.18 4.34 1.08 -1.97 -1.21 115.11 127.24 2h4x h GLN 238 Ca -0.26 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2h4x h GLN 238 Cb 1.10 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 2h4x h GLN 238 CO 1.04 0.45 0.08 0.93 -0.95 0.00 0.00 178.83 180.38 2h4x h GLU 239 N 0.70 0.27 -0.38 1.46 3.07 -1.99 -0.24 114.58 117.47 2h4x h GLU 239 Ca 0.38 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.12 2h4x h GLU 239 Cb 0.53 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2h4x h GLU 239 CO -0.15 0.33 -0.09 0.00 -1.40 0.00 0.00 179.01 177.70 2h4x h ALA 240 N 0.93 1.13 -0.37 3.43 0.00 -1.85 -2.06 119.26 120.47 2h4x h ALA 240 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2h4x h ALA 240 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2h4x h ALA 240 CO -0.01 0.55 -0.27 0.82 0.00 0.00 0.00 179.25 180.34 2h4x h ILE 241 N 0.60 1.28 -0.19 0.00 2.04 -0.98 -1.01 117.51 119.26 2h4x h ILE 241 Ca 0.11 -1.41 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 2h4x h ILE 241 Cb 0.51 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2h4x h ILE 241 CO 0.03 0.47 -0.38 1.56 0.00 0.00 0.00 178.15 179.83 2h4x h GLN 242 N 0.67 0.42 -0.17 2.37 1.08 -0.79 -1.06 115.11 117.63 2h4x h GLN 242 Ca 0.08 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 2h4x h GLN 242 Cb 0.80 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2h4x h GLN 242 CO 0.07 0.74 -0.44 0.00 -0.95 0.00 0.00 178.83 178.25 2h4x h ALA 243 N 1.25 0.93 -0.25 3.87 0.00 -1.12 -0.94 119.26 122.99 2h4x h ALA 243 Ca 0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2h4x h ALA 243 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2h4x h ALA 243 CO 0.07 0.64 -0.34 0.00 0.00 0.00 0.00 179.25 179.62 2h4x h ALA 244 N 1.19 0.95 -0.18 0.00 0.00 -0.77 -0.89 119.26 119.56 2h4x h ALA 244 Ca 0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2h4x h ALA 244 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2h4x h ALA 244 CO 0.08 0.61 -0.15 0.82 0.00 0.00 0.00 179.25 180.61 2h4x h ILE 245 N 0.45 1.33 -0.34 0.00 2.04 -0.90 -2.91 117.51 117.18 2h4x h ILE 245 Ca 0.05 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2h4x h ILE 245 Cb 0.81 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 2h4x h ILE 245 CO 0.07 0.39 0.21 0.50 0.00 0.00 0.00 178.15 179.31 2h4x h LYS 246 N 0.09 0.45 -0.35 2.37 3.64 -1.01 -1.56 116.57 120.19 2h4x h LYS 246 Ca 0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2h4x h LYS 246 Cb 0.68 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2h4x h LYS 246 CO 0.04 0.31 0.21 -0.22 -2.27 0.00 0.00 179.45 177.52 2h4x h LYS 247 N 0.46 0.42 -0.49 1.90 3.64 -1.00 0.19 116.57 121.70 2h4x h LYS 247 Ca 0.12 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2h4x h LYS 247 Cb -0.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2h4x h LYS 247 CO -0.02 0.28 0.08 0.28 -2.27 0.00 0.00 179.45 177.79 2h4x h VAL 248 N 0.43 1.25 -0.45 2.00 2.07 -1.15 -2.95 116.25 117.46 2h4x h VAL 248 Ca 0.13 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2h4x h VAL 248 Cb -0.01 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2h4x h VAL 248 CO -0.05 0.33 0.22 -0.33 0.02 0.00 0.00 177.57 177.76 2h4x h GLU 249 N 0.68 0.64 0.00 1.57 5.08 -0.96 -2.73 114.58 118.86 2h4x h GLU 249 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2h4x h GLU 249 Cb 0.39 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2h4x h GLU 249 CO 0.01 0.53 0.00 -0.44 -1.00 0.00 0.00 179.01 178.11 2h4x h ASP 250 N 0.58 0.00 0.54 1.42 3.32 -0.45 -1.93 116.42 119.90 2h4x h ASP 250 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2h4x h ASP 250 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2h4x h ASP 250 CO -0.02 0.00 -0.04 1.56 -1.72 0.00 0.00 179.24 179.02 2h4x h GLN 251 N 0.00 0.00 -0.69 3.56 4.20 -1.35 -2.15 115.11 118.68 2h4x h GLN 251 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h4x h GLN 251 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2h4x h GLN 251 CO 0.00 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 2h4x n GLY 252 N -0.48 2.35 3.67 3.46 0.00 -0.72 -3.13 105.19 110.34 2h4x n GLY 252 Ca -0.01 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2h4x n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h4x s LYS 253 N -1.26 2.76 0.00 1.61 1.02 -0.81 -4.68 119.74 118.38 2h4x s LYS 253 Ca 0.47 -0.63 0.27 0.00 0.02 0.00 0.00 55.97 56.11 2h4x s LYS 253 Cb 0.26 -2.65 1.63 0.00 -0.52 0.00 0.00 37.83 36.55 2h4x s LYS 253 CO 0.30 0.62 1.98 1.33 -0.92 0.00 0.00 175.35 178.65