#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jed s ALA 3 N 0.00 2.63 0.67 3.55 0.00 -1.26 -4.84 121.76 122.50 1jed s ALA 3 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 1jed s ALA 3 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1jed s ALA 3 CO 0.00 -0.95 1.19 -1.25 0.00 0.00 0.00 175.76 174.74 1jed s PRO 4 N -3.29 2.57 0.09 0.00 0.04 -1.26 -4.78 135.00 128.38 1jed s PRO 4 Ca 0.75 1.72 -0.36 0.00 0.04 0.00 0.00 61.00 63.15 1jed s PRO 4 Cb -0.27 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1jed s PRO 4 CO 0.30 -1.49 1.48 1.58 0.04 0.00 0.00 177.00 178.91 1jed n HIS 5 N -2.24 1.89 -0.03 0.56 -0.00 -1.26 0.94 115.22 115.08 1jed n HIS 5 Ca 0.13 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1jed n HIS 5 Cb 0.50 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 1jed n HIS 5 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jed n GLY 6 N 3.05 1.52 1.83 1.57 0.00 -1.26 -2.99 105.19 108.90 1jed n GLY 6 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jed n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 7 N -2.00 3.11 3.06 -0.02 0.00 0.27 -5.02 105.19 104.59 1jed n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1jed n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jed s ILE 8 N -2.10 1.60 -0.18 -0.61 1.01 -1.25 -4.51 121.20 115.15 1jed s ILE 8 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 1jed s ILE 8 Cb 0.00 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1jed s ILE 8 CO 0.00 0.46 1.46 -0.22 0.00 0.00 0.00 174.94 176.64 1jed s LEU 9 N 1.10 4.08 -1.19 2.97 2.96 -1.26 -4.80 118.68 122.54 1jed s LEU 9 Ca -0.03 1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 55.51 1jed s LEU 9 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1jed s LEU 9 CO -0.04 -1.00 2.79 0.00 -1.32 0.00 0.00 176.35 176.78 1jed n GLN 10 N 7.15 3.72 -2.38 1.98 1.13 -1.26 -4.88 117.38 122.85 1jed n GLN 10 Ca 0.16 -2.58 -0.37 0.00 -1.94 0.00 0.00 57.00 52.27 1jed n GLN 10 Cb 0.45 -2.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.20 1jed n GLN 10 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jed s ASP 11 N 1.23 5.97 0.45 1.08 -1.08 -1.26 -2.28 116.67 120.79 1jed s ASP 11 Ca 0.62 -0.86 0.28 0.00 -0.52 0.00 0.00 52.55 52.07 1jed s ASP 11 Cb 0.22 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 40.07 1jed s ASP 11 CO -0.09 -1.97 1.82 -0.07 0.52 0.00 0.00 175.17 175.38 1jed h LEU 12 N 14.45 0.00 -0.24 -1.34 3.38 -0.96 -0.66 115.31 129.94 1jed h LEU 12 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jed h LEU 12 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1jed h LEU 12 CO 1.32 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 180.25 1jed h ILE 13 N 0.00 1.26 -0.17 1.22 1.08 -1.82 0.85 117.51 119.93 1jed h ILE 13 Ca 0.00 -0.92 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 1jed h ILE 13 Cb 0.67 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 1jed h ILE 13 CO 0.00 0.29 -0.05 0.00 -0.69 0.00 0.00 178.15 177.70 1jed h ALA 14 N 0.80 0.24 -0.38 1.87 0.00 -1.81 -2.76 119.26 117.21 1jed h ALA 14 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jed h ALA 14 Cb 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1jed h ALA 14 CO 0.01 0.01 0.13 -0.09 0.00 0.00 0.00 179.25 179.32 1jed h ARG 15 N 0.04 0.28 -0.77 0.00 2.43 -1.00 -2.96 114.38 112.41 1jed h ARG 15 Ca 0.04 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1jed h ARG 15 Cb 0.49 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1jed h ARG 15 CO 0.02 0.19 0.07 -0.25 -1.51 0.00 0.00 179.97 178.49 1jed n ASP 16 N -5.02 4.08 -0.13 -3.80 10.43 0.28 -4.64 116.55 117.76 1jed n ASP 16 Ca 0.02 -2.70 -0.05 0.00 2.57 0.00 0.00 54.79 54.63 1jed n ASP 16 Cb 0.14 -0.64 0.02 0.00 1.84 0.00 0.00 41.12 42.48 1jed n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jed h ALA 17 N 3.03 0.21 0.00 2.24 0.00 -1.31 -1.36 119.26 122.06 1jed h ALA 17 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1jed h ALA 17 Cb 1.62 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1jed h ALA 17 CO 0.40 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1jed n LEU 18 N -5.35 0.00 -0.00 0.00 4.77 -1.26 -2.58 117.00 112.57 1jed n LEU 18 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1jed n LEU 18 Cb 0.26 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1jed n LEU 18 CO 0.12 0.00 -0.08 0.29 -1.33 0.00 0.00 177.39 176.39 1jed n LYS 19 N -0.52 3.88 -0.18 3.23 5.02 -0.54 -4.76 118.16 124.28 1jed n LYS 19 Ca 0.01 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1jed n LYS 19 Cb 0.00 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1jed n LYS 19 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jed h LYS 20 N 0.00 -0.26 -0.95 1.97 3.64 -1.24 0.49 116.57 120.22 1jed h LYS 20 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1jed h LYS 20 Cb 0.21 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1jed h LYS 20 CO 0.00 -0.17 0.62 -0.91 -2.27 0.00 0.00 179.45 176.72 1jed h ASN 21 N -0.27 1.01 -0.09 4.20 -0.26 -1.86 0.33 115.58 118.66 1jed h ASN 21 Ca 0.16 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1jed h ASN 21 Cb 0.57 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1jed h ASN 21 CO -0.65 0.68 -0.11 -0.33 -1.06 0.00 0.00 177.43 175.96 1jed h GLU 22 N 1.17 0.22 -0.74 0.81 3.07 -1.49 -2.02 114.58 115.62 1jed h GLU 22 Ca 0.39 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1jed h GLU 22 Cb 0.06 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1jed h GLU 22 CO -0.13 0.68 0.39 -0.07 -1.40 0.00 0.00 179.01 178.48 1jed h LEU 23 N -0.21 0.93 -0.13 1.33 3.38 0.20 -1.76 115.31 119.06 1jed h LEU 23 Ca 0.01 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1jed h LEU 23 Cb 0.65 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1jed h LEU 23 CO 0.03 0.77 -0.09 -0.07 0.09 0.00 0.00 178.44 179.17 1jed h LEU 24 N 1.02 -0.30 -0.44 1.67 3.38 -0.29 0.18 115.31 120.53 1jed h LEU 24 Ca 0.26 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.34 1jed h LEU 24 Cb 0.06 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1jed h LEU 24 CO -0.04 -0.13 0.17 -1.28 0.09 0.00 0.00 178.44 177.25 1jed h SER 25 N -0.10 0.19 -0.19 -0.43 0.87 -1.03 -1.48 113.55 111.38 1jed h SER 25 Ca 0.08 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1jed h SER 25 Cb 0.22 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1jed h SER 25 CO -0.19 0.14 0.12 -0.08 -0.53 0.00 0.00 176.83 176.29 1jed h GLU 26 N 0.34 0.25 -0.28 2.24 4.81 -0.70 -1.77 114.58 119.48 1jed h GLU 26 Ca 0.20 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1jed h GLU 26 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1jed h GLU 26 CO -0.20 0.18 0.22 0.00 -0.73 0.00 0.00 179.01 178.49 1jed h ALA 27 N 1.05 2.16 -0.58 2.92 0.00 -0.25 -1.48 119.26 123.08 1jed h ALA 27 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jed h ALA 27 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jed h ALA 27 CO -0.01 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 179.91 1jed n GLN 28 N -4.26 3.50 -2.66 0.00 6.02 -0.59 -4.91 117.38 114.47 1jed n GLN 28 Ca 0.04 -2.78 -0.33 0.00 -0.01 0.00 0.00 57.00 53.92 1jed n GLN 28 Cb 0.38 -1.79 -0.05 0.00 1.02 0.00 0.00 30.24 29.79 1jed n GLN 28 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jed s SER 29 N -1.03 6.71 0.00 1.08 1.04 -0.56 -4.93 113.70 116.01 1jed s SER 29 Ca 0.47 1.73 0.11 0.00 0.48 0.00 0.00 55.95 58.74 1jed s SER 29 Cb 0.30 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 64.56 1jed s SER 29 CO 0.23 -0.52 1.24 -1.54 0.98 0.00 0.00 173.24 173.62 1jed n SER 30 N -0.91 0.00 -0.00 7.02 3.41 -1.26 -3.53 113.62 118.35 1jed n SER 30 Ca 0.08 -1.13 0.01 0.00 -0.26 0.00 0.00 58.87 57.57 1jed n SER 30 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1jed n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jed n ASP 31 N -0.74 2.81 -4.77 4.04 10.43 -1.26 -5.04 116.55 122.02 1jed n ASP 31 Ca 0.08 -0.21 -0.38 0.00 2.57 0.00 0.00 54.79 56.86 1jed n ASP 31 Cb 0.04 1.08 -0.04 0.00 1.84 0.00 0.00 41.12 44.04 1jed n ASP 31 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1jed s ILE 32 N -1.86 3.64 0.28 0.53 2.07 -1.23 -5.00 121.20 119.63 1jed s ILE 32 Ca -0.00 1.38 -0.29 0.00 -1.41 0.00 0.00 60.65 60.32 1jed s ILE 32 Cb 0.02 -3.77 -0.10 0.00 0.13 0.00 0.00 42.46 38.74 1jed s ILE 32 CO 0.12 0.12 1.21 -0.22 -1.91 0.00 0.00 174.94 174.26 1jed s LEU 33 N -2.26 4.48 -0.05 8.50 2.96 -1.25 -4.87 118.68 126.19 1jed s LEU 33 Ca 0.53 2.43 0.04 0.00 -0.22 0.00 0.00 54.13 56.91 1jed s LEU 33 Cb -0.25 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.81 1jed s LEU 33 CO 0.32 -0.36 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.14 1jed s VAL 34 N -0.86 1.36 -0.11 1.68 1.01 -1.26 -0.25 120.40 121.98 1jed s VAL 34 Ca 0.49 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1jed s VAL 34 Cb -0.35 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1jed s VAL 34 CO 0.44 0.40 -0.11 0.86 0.00 0.00 0.00 175.10 176.69 1jed s TRP 35 N 0.19 1.70 -0.38 5.22 -0.11 -0.50 -4.97 118.94 120.10 1jed s TRP 35 Ca -0.07 -0.82 -0.24 0.00 1.22 0.00 0.00 56.10 56.20 1jed s TRP 35 Cb -0.13 -1.30 0.01 0.00 -1.50 0.00 0.00 33.47 30.56 1jed s TRP 35 CO 0.03 -0.48 0.82 1.21 -4.62 0.00 0.00 176.95 173.91 1jed s ASN 36 N 1.27 6.55 0.46 5.86 2.47 -1.26 -1.10 114.94 129.19 1jed s ASN 36 Ca -0.02 0.33 -0.23 0.00 0.42 0.00 0.00 52.86 53.35 1jed s ASN 36 Cb -0.14 -2.41 -0.09 0.00 -1.45 0.00 0.00 41.25 37.16 1jed s ASN 36 CO -0.04 -0.79 1.03 0.18 -3.72 0.00 0.00 177.10 173.76 1jed n LEU 37 N 6.55 2.99 -4.94 3.21 4.77 0.07 -4.94 117.00 124.71 1jed n LEU 37 Ca 0.04 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.77 1jed n LEU 37 Cb 0.48 -1.38 0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1jed n LEU 37 CO 0.56 -1.45 0.56 0.42 -1.33 0.00 0.00 177.39 176.15 1jed s THR 38 N -1.31 2.35 0.16 -5.08 -4.23 -1.26 -4.74 115.64 101.52 1jed s THR 38 Ca 0.65 -0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1jed s THR 38 Cb -0.52 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.39 1jed s THR 38 CO 0.55 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.64 1jed h PRO 39 N -0.46 -0.08 -0.11 3.99 0.11 -1.99 0.79 132.00 134.24 1jed h PRO 39 Ca -0.44 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1jed h PRO 39 Cb 1.31 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1jed h PRO 39 CO 0.58 -0.05 -0.30 -0.09 -0.21 0.00 0.00 178.00 177.92 1jed h ARG 40 N -0.08 0.22 -0.13 1.05 2.43 -1.99 -2.17 114.38 113.70 1jed h ARG 40 Ca 0.16 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1jed h ARG 40 Cb 0.33 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1jed h ARG 40 CO -0.38 0.50 -0.34 1.96 -1.51 0.00 0.00 179.97 180.20 1jed h GLN 41 N 0.19 0.27 0.00 0.20 4.20 -1.71 -0.20 115.11 118.05 1jed h GLN 41 Ca 0.03 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1jed h GLN 41 Cb 0.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1jed h GLN 41 CO 0.05 0.58 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.24 1jed h LEU 42 N 0.23 0.00 -0.07 1.46 3.38 -0.46 -0.13 115.31 119.72 1jed h LEU 42 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1jed h LEU 42 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1jed h LEU 42 CO 0.05 0.48 -0.70 0.00 0.09 0.00 0.00 178.44 178.37 1jed h ASP 44 N 0.22 0.36 0.16 0.00 3.45 -0.96 -3.14 116.42 116.51 1jed h ASP 44 Ca -0.07 -0.54 -0.03 0.00 0.43 0.00 0.00 57.03 56.81 1jed h ASP 44 Cb 1.36 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1jed h ASP 44 CO 0.14 0.84 -0.16 -0.29 -1.57 0.00 0.00 179.24 178.20 1jed h ILE 45 N -0.10 1.10 0.00 0.35 2.10 -1.14 -0.56 117.51 119.26 1jed h ILE 45 Ca 0.01 -0.55 -0.14 0.00 1.08 0.00 0.00 64.86 65.26 1jed h ILE 45 Cb 0.77 1.30 -0.02 0.00 -1.09 0.00 0.00 36.82 37.78 1jed h ILE 45 CO 0.04 0.16 -0.66 -0.08 -1.08 0.00 0.00 178.15 176.53 1jed h GLU 46 N 0.00 0.00 0.00 2.19 4.81 -1.56 -0.12 114.58 119.90 1jed h GLU 46 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1jed h GLU 46 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1jed h GLU 46 CO 0.02 0.66 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.42 1jed h LEU 47 N 0.00 0.00 0.00 1.64 -0.00 -1.24 -2.97 115.31 112.74 1jed h LEU 47 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1jed h LEU 47 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1jed h LEU 47 CO 0.09 0.47 -0.00 0.40 -0.00 0.00 0.00 178.44 179.39 1jed h ILE 48 N 0.00 1.65 0.00 1.22 2.04 -0.86 -0.08 117.51 121.48 1jed h ILE 48 Ca -0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.81 1jed h ILE 48 Cb 1.27 3.02 -0.00 0.00 -0.74 0.00 0.00 36.82 40.36 1jed h ILE 48 CO 0.06 0.52 -0.06 -0.07 0.00 0.00 0.00 178.15 178.60 1jed h LEU 49 N -0.89 0.00 -2.42 1.44 3.38 -1.10 -2.92 115.31 112.81 1jed h LEU 49 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jed h LEU 49 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jed h LEU 49 CO 0.00 0.06 0.00 -0.46 0.09 0.00 0.00 178.44 178.13 1jed n ASN 50 N -3.66 3.53 0.00 -0.43 0.23 -1.12 -0.36 115.26 113.45 1jed n ASN 50 Ca -0.02 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1jed n ASN 50 Cb 0.17 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 1jed n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jed n GLY 51 N 1.48 0.76 0.20 4.83 0.00 -0.96 -4.28 105.19 107.22 1jed n GLY 51 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1jed n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jed h GLY 52 N 0.00 0.00 -3.33 -0.02 0.00 -1.33 -2.51 103.07 95.89 1jed h GLY 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1jed h GLY 52 CO 0.00 0.00 0.06 0.69 0.00 0.00 0.00 176.54 177.29 1jed n PHE 53 N -4.09 2.02 -1.61 5.60 3.72 -0.26 -4.52 117.46 118.32 1jed n PHE 53 Ca -0.02 -0.86 -0.43 0.00 -0.05 0.00 0.00 57.45 56.09 1jed n PHE 53 Cb 0.37 -0.53 -0.01 0.00 -0.94 0.00 0.00 39.48 38.37 1jed n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jed n SER 54 N 0.30 1.55 0.00 4.37 7.64 -0.95 -0.16 113.62 126.37 1jed n SER 54 Ca 0.30 1.14 0.14 0.00 1.01 0.00 0.00 58.87 61.46 1jed n SER 54 Cb 1.21 -1.34 0.72 0.00 -1.01 0.00 0.00 64.21 63.78 1jed n SER 54 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jed n PRO 55 N 0.54 0.47 -1.59 1.43 -0.04 -1.16 -4.43 135.00 130.21 1jed n PRO 55 Ca 0.08 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1jed n PRO 55 Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1jed n PRO 55 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jed n LEU 56 N -1.24 2.26 -0.48 1.53 4.32 0.77 -4.93 117.00 119.22 1jed n LEU 56 Ca 0.14 1.03 0.01 0.00 -0.02 0.00 0.00 56.01 57.17 1jed n LEU 56 Cb 0.20 -1.32 0.02 0.00 -1.62 0.00 0.00 43.42 40.70 1jed n LEU 56 CO 0.20 -1.65 0.28 0.35 -1.22 0.00 0.00 177.39 175.35 1jed n THR 57 N -0.51 0.21 -2.36 -5.08 -2.24 -1.26 -4.84 114.28 98.20 1jed n THR 57 Ca 0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jed n THR 57 Cb 0.39 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1jed n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jed n GLY 58 N -0.15 -1.30 3.82 3.38 0.00 -1.26 -0.79 105.19 108.90 1jed n GLY 58 Ca 0.02 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1jed n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jed s PHE 59 N -2.75 3.72 0.28 1.61 0.40 -0.67 -4.94 117.98 115.63 1jed s PHE 59 Ca 0.00 1.26 -0.30 0.00 -0.60 0.00 0.00 56.93 57.29 1jed s PHE 59 Cb 0.00 -2.50 -0.13 0.00 0.51 0.00 0.00 43.02 40.90 1jed s PHE 59 CO 0.00 0.48 1.43 1.28 0.70 0.00 0.00 175.22 179.11 1jed n LEU 60 N 1.21 3.54 -4.96 -0.37 4.77 -0.72 -1.92 117.00 118.54 1jed n LEU 60 Ca -0.07 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.83 1jed n LEU 60 Cb 0.51 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.20 1jed n LEU 60 CO 0.42 -0.32 0.56 0.54 -1.33 0.00 0.00 177.39 177.26 1jed s ASN 61 N 0.20 4.64 0.30 -1.43 6.03 -1.26 -4.00 114.94 119.42 1jed s ASN 61 Ca 0.64 0.09 0.03 0.00 -1.03 0.00 0.00 52.86 52.59 1jed s ASN 61 Cb -0.59 -0.67 0.61 0.00 -3.03 0.00 0.00 41.25 37.57 1jed s ASN 61 CO 0.52 -1.66 1.84 -0.08 -2.03 0.00 0.00 177.10 175.69 1jed h GLU 62 N -0.51 0.91 0.33 3.55 4.81 -1.95 0.28 114.58 122.00 1jed h GLU 62 Ca -0.42 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1jed h GLU 62 Cb 1.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1jed h GLU 62 CO 0.51 0.60 -0.16 -0.97 -0.73 0.00 0.00 179.01 178.26 1jed h ASN 63 N 0.93 -0.37 -0.24 1.04 -0.00 -1.99 0.14 115.58 115.08 1jed h ASN 63 Ca 0.49 -0.06 -0.04 0.00 -0.00 0.00 0.00 56.30 56.69 1jed h ASN 63 Cb 0.54 0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.95 1jed h ASN 63 CO -0.26 -0.17 0.01 0.44 -0.00 0.00 0.00 177.43 177.46 1jed h ASP 64 N -0.56 0.41 -0.20 1.15 3.45 -1.84 -2.62 116.42 116.19 1jed h ASP 64 Ca -0.05 -0.29 0.05 0.00 0.43 0.00 0.00 57.03 57.17 1jed h ASP 64 Cb 0.42 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.02 1jed h ASP 64 CO 0.07 0.60 -0.13 0.22 -1.57 0.00 0.00 179.24 178.44 1jed h TYR 65 N 0.21 -0.31 -0.74 4.55 3.20 -0.44 -1.60 116.97 121.84 1jed h TYR 65 Ca 0.07 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1jed h TYR 65 Cb 0.38 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 1jed h TYR 65 CO 0.03 -0.19 0.42 1.03 -1.64 0.00 0.00 178.16 177.81 1jed h SER 66 N -0.12 0.63 -0.45 -2.11 0.87 -0.94 -1.43 113.55 110.00 1jed h SER 66 Ca 0.12 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1jed h SER 66 Cb 0.29 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1jed h SER 66 CO -0.28 0.39 0.06 -1.28 -0.53 0.00 0.00 176.83 175.20 1jed h SER 67 N 0.76 0.73 -0.73 6.23 0.87 -1.09 -1.38 113.55 118.94 1jed h SER 67 Ca 0.33 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1jed h SER 67 Cb 0.22 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 1jed h SER 67 CO -0.20 0.82 0.48 0.58 -0.53 0.00 0.00 176.83 177.97 1jed h VAL 68 N 0.62 1.16 -0.25 2.23 2.07 -0.16 1.41 116.25 123.32 1jed h VAL 68 Ca 0.14 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1jed h VAL 68 Cb 0.41 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1jed h VAL 68 CO 0.01 0.17 0.05 0.58 0.02 0.00 0.00 177.57 178.40 1jed h VAL 69 N 0.96 1.22 0.00 2.57 2.07 -0.95 -0.67 116.25 121.45 1jed h VAL 69 Ca 0.28 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jed h VAL 69 Cb -0.07 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1jed h VAL 69 CO -0.08 0.24 -1.60 0.35 0.02 0.00 0.00 177.57 176.50 1jed n THR 70 N -4.70 0.18 0.10 2.57 -2.24 -0.55 -4.58 114.28 105.07 1jed n THR 70 Ca -0.03 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.30 1jed n THR 70 Cb 0.20 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 1jed n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jed n ASP 71 N -2.31 1.73 -1.98 3.42 10.43 0.48 -4.99 116.55 123.33 1jed n ASP 71 Ca -0.02 -0.36 -0.20 0.00 2.57 0.00 0.00 54.79 56.78 1jed n ASP 71 Cb 0.54 1.06 -0.04 0.00 1.84 0.00 0.00 41.12 44.52 1jed n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1jed n SER 72 N -1.30 -5.63 -3.97 -2.24 7.64 -0.26 -4.93 113.62 102.94 1jed n SER 72 Ca 0.00 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.01 1jed n SER 72 Cb 0.07 -4.77 -0.10 0.00 -1.01 0.00 0.00 64.21 58.40 1jed n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jed s ARG 73 N -4.43 0.55 0.84 1.43 0.52 -1.04 -0.53 118.95 116.30 1jed s ARG 73 Ca 0.00 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.26 1jed s ARG 73 Cb 0.00 0.21 0.10 0.00 0.52 0.00 0.00 34.95 35.78 1jed s ARG 73 CO 0.00 -0.13 1.14 -0.51 0.02 0.00 0.00 175.30 175.82 1jed s LEU 74 N -2.19 2.33 0.31 2.53 1.43 0.11 -1.19 118.68 122.00 1jed s LEU 74 Ca -0.04 0.99 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 1jed s LEU 74 Cb -0.01 -3.46 0.68 0.00 0.03 0.00 0.00 46.19 43.43 1jed s LEU 74 CO -0.05 -2.17 1.82 0.00 0.23 0.00 0.00 176.35 176.18 1jed h ALA 75 N -1.23 1.65 0.00 4.21 0.00 -1.81 0.67 119.26 122.74 1jed h ALA 75 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jed h ALA 75 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jed h ALA 75 CO 0.63 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 1jed n ASP 76 N -4.65 0.00 0.00 0.00 3.85 -1.26 -4.86 116.55 109.63 1jed n ASP 76 Ca 0.20 -0.87 0.00 0.00 -0.71 0.00 0.00 54.79 53.41 1jed n ASP 76 Cb 0.45 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 1jed n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jed n GLY 77 N 0.64 0.23 3.69 6.12 0.00 0.23 -5.04 105.19 111.06 1jed n GLY 77 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1jed n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jed n THR 78 N -2.00 0.30 -1.65 2.61 -1.04 -1.26 -4.60 114.28 106.64 1jed n THR 78 Ca 0.00 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1jed n THR 78 Cb 0.00 -2.02 -0.04 0.00 -1.82 0.00 0.00 70.33 66.46 1jed n THR 78 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jed n LEU 79 N 5.26 3.68 -3.24 -4.42 7.94 -1.26 0.04 117.00 124.99 1jed n LEU 79 Ca 0.18 0.77 0.02 0.00 -1.11 0.00 0.00 56.01 55.87 1jed n LEU 79 Cb 0.35 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 42.81 1jed n LEU 79 CO 0.66 -0.08 0.15 0.86 -1.11 0.00 0.00 177.39 177.87 1jed s TRP 80 N 5.19 -1.49 -0.10 1.96 -0.11 0.31 -4.85 118.94 119.85 1jed s TRP 80 Ca 0.93 1.72 0.15 0.00 1.22 0.00 0.00 56.10 60.12 1jed s TRP 80 Cb -0.52 0.55 -0.18 0.00 -1.50 0.00 0.00 33.47 31.82 1jed s TRP 80 CO 0.44 -0.83 0.73 0.25 -4.62 0.00 0.00 176.95 172.93 1jed n THR 81 N 5.43 1.33 -4.04 5.86 -2.24 -1.25 -2.49 114.28 116.88 1jed n THR 81 Ca -0.03 -0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 1jed n THR 81 Cb 0.51 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.79 1jed n THR 81 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jed s ILE 82 N -2.80 4.08 0.01 2.28 -1.09 -1.26 -4.86 121.20 117.55 1jed s ILE 82 Ca -0.04 -0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 1jed s ILE 82 Cb 0.08 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 1jed s ILE 82 CO 0.82 0.42 1.19 -2.16 -1.23 0.00 0.00 174.94 173.98 1jed s PRO 83 N 0.99 4.41 -0.35 2.79 0.04 -1.26 -5.00 135.00 136.62 1jed s PRO 83 Ca 0.02 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 1jed s PRO 83 Cb -0.14 -3.45 0.06 0.00 0.04 0.00 0.00 34.50 31.00 1jed s PRO 83 CO 0.02 -0.33 0.11 0.42 0.04 0.00 0.00 177.00 177.27 1jed s ILE 84 N 1.57 3.58 0.13 0.56 -1.09 -1.26 -5.09 121.20 119.60 1jed s ILE 84 Ca 0.57 -1.36 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1jed s ILE 84 Cb -0.27 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1jed s ILE 84 CO 0.26 -0.28 -0.11 0.42 -1.23 0.00 0.00 174.94 174.00 1jed s THR 85 N 1.33 1.15 -0.63 2.92 -4.23 -1.26 -1.76 115.64 113.16 1jed s THR 85 Ca -0.00 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1jed s THR 85 Cb -0.20 -1.68 0.14 0.00 1.34 0.00 0.00 72.50 72.09 1jed s THR 85 CO 0.01 -0.65 0.64 -0.22 -0.54 0.00 0.00 174.62 173.86 1jed s LEU 86 N -2.88 6.00 -0.22 4.79 2.96 -1.26 -5.00 118.68 123.07 1jed s LEU 86 Ca 0.13 -1.86 -0.21 0.00 -0.22 0.00 0.00 54.13 51.96 1jed s LEU 86 Cb -0.00 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1jed s LEU 86 CO 0.01 -0.89 0.67 1.51 -1.32 0.00 0.00 176.35 176.33 1jed s ASP 87 N 3.34 6.68 0.38 3.68 3.84 -1.26 -0.22 116.67 133.12 1jed s ASP 87 Ca 0.10 0.84 0.04 0.00 -0.00 0.00 0.00 52.55 53.52 1jed s ASP 87 Cb -0.23 -2.36 -0.05 0.00 -1.38 0.00 0.00 42.92 38.89 1jed s ASP 87 CO 0.01 -0.36 0.05 0.68 -0.00 0.00 0.00 175.17 175.56 1jed s VAL 88 N 2.30 1.28 0.51 2.11 -7.23 0.31 -4.23 120.40 115.45 1jed s VAL 88 Ca 0.29 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1jed s VAL 88 Cb -0.16 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1jed s VAL 88 CO 0.09 0.00 0.76 1.51 -0.31 0.00 0.00 175.10 177.15 1jed s ASP 89 N -3.61 5.64 0.23 4.85 3.84 -1.26 -1.46 116.67 124.89 1jed s ASP 89 Ca 0.30 0.34 -0.06 0.00 -0.00 0.00 0.00 52.55 53.13 1jed s ASP 89 Cb 0.07 -1.44 0.37 0.00 -1.38 0.00 0.00 42.92 40.53 1jed s ASP 89 CO 0.14 -0.90 1.76 -0.08 -0.00 0.00 0.00 175.17 176.09 1jed h GLU 90 N 0.16 0.51 0.08 2.11 4.81 -1.96 0.76 114.58 121.05 1jed h GLU 90 Ca -0.45 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1jed h GLU 90 Cb 1.26 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1jed h GLU 90 CO 0.57 0.33 -0.39 0.00 -0.73 0.00 0.00 179.01 178.80 1jed h ALA 91 N 1.46 -0.87 -0.23 2.92 0.00 -2.00 -0.22 119.26 120.32 1jed h ALA 91 Ca 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1jed h ALA 91 Cb 0.45 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1jed h ALA 91 CO -0.32 -0.97 0.13 0.35 0.00 0.00 0.00 179.25 178.44 1jed h PHE 92 N -0.54 0.24 -0.91 0.00 3.57 -1.88 -2.60 116.94 114.82 1jed h PHE 92 Ca -0.00 0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.72 1jed h PHE 92 Cb 0.55 -0.08 -0.12 0.00 2.79 0.00 0.00 35.95 39.09 1jed h PHE 92 CO -0.42 0.14 0.43 0.00 -2.23 0.00 0.00 178.31 176.23 1jed h ALA 93 N 1.11 1.47 0.00 2.41 0.00 -0.50 -0.34 119.26 123.40 1jed h ALA 93 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jed h ALA 93 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jed h ALA 93 CO -0.05 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 178.99 1jed n ASN 94 N -5.00 0.27 -0.61 0.00 5.03 -0.12 -1.06 115.26 113.78 1jed n ASN 94 Ca 0.22 0.61 0.10 0.00 0.87 0.00 0.00 54.58 56.39 1jed n ASN 94 Cb 0.64 -0.65 0.03 0.00 -1.02 0.00 0.00 39.78 38.78 1jed n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jed n GLN 95 N -1.85 1.60 -3.53 3.52 6.02 -0.14 -4.95 117.38 118.05 1jed n GLN 95 Ca 0.00 -1.25 -0.38 0.00 -0.01 0.00 0.00 57.00 55.37 1jed n GLN 95 Cb 0.06 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 1jed n GLN 95 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jed s ILE 96 N -2.13 5.06 0.02 5.09 1.01 -0.22 -5.09 121.20 124.94 1jed s ILE 96 Ca 0.20 0.77 -0.00 0.00 0.00 0.00 0.00 60.65 61.62 1jed s ILE 96 Cb 0.17 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1jed s ILE 96 CO 0.43 0.56 -0.01 -0.75 0.00 0.00 0.00 174.94 175.17 1jed s LYS 97 N -1.14 0.28 0.78 2.79 2.20 -1.26 -5.01 119.74 118.38 1jed s LYS 97 Ca 0.24 -0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1jed s LYS 97 Cb -0.16 0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1jed s LYS 97 CO 0.13 -0.05 1.22 -1.25 -0.36 0.00 0.00 175.35 175.04 1jed s PRO 98 N -1.25 1.80 0.00 4.03 0.04 -1.26 -1.34 135.00 137.02 1jed s PRO 98 Ca -0.14 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1jed s PRO 98 Cb -0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1jed s PRO 98 CO -0.01 -2.10 0.00 -0.25 0.04 0.00 0.00 177.00 174.69 1jed n ASP 99 N -3.07 0.00 -4.75 6.66 10.43 -0.44 -5.00 116.55 120.38 1jed n ASP 99 Ca 0.14 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.13 1jed n ASP 99 Cb 0.50 0.00 0.04 0.00 1.84 0.00 0.00 41.12 43.50 1jed n ASP 99 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1jed s THR 100 N -1.73 2.42 -0.16 -3.53 2.01 -0.45 -4.75 115.64 109.45 1jed s THR 100 Ca 0.00 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1jed s THR 100 Cb 0.00 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.39 1jed s THR 100 CO 0.00 -0.04 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.61 1jed s ARG 101 N -3.19 3.22 -0.07 4.92 0.52 -1.26 -1.09 118.95 121.99 1jed s ARG 101 Ca 0.76 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1jed s ARG 101 Cb -0.34 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1jed s ARG 101 CO 0.38 -0.00 -0.13 0.42 0.02 0.00 0.00 175.30 175.98 1jed s ILE 102 N 0.86 3.11 -0.21 1.52 1.01 0.49 -3.95 121.20 124.04 1jed s ILE 102 Ca -0.04 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 1jed s ILE 102 Cb -0.15 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1jed s ILE 102 CO -0.01 0.57 0.49 0.00 0.00 0.00 0.00 174.94 175.99 1jed s ALA 103 N -0.46 3.55 -0.31 9.38 0.00 0.66 -0.19 121.76 134.40 1jed s ALA 103 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1jed s ALA 103 Cb -0.12 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1jed s ALA 103 CO 0.02 -0.47 0.21 -0.51 0.00 0.00 0.00 175.76 175.01 1jed s LEU 104 N 1.69 4.27 0.43 0.00 1.43 0.33 -1.41 118.68 125.42 1jed s LEU 104 Ca 0.22 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1jed s LEU 104 Cb -0.15 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1jed s LEU 104 CO 0.09 -0.16 0.41 -0.36 0.23 0.00 0.00 176.35 176.57 1jed s PHE 105 N 1.72 2.61 -0.09 0.29 0.40 -0.26 -0.78 117.98 121.88 1jed s PHE 105 Ca 0.06 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1jed s PHE 105 Cb -0.17 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.20 1jed s PHE 105 CO 0.10 -0.21 -0.10 -1.14 0.70 0.00 0.00 175.22 174.57 1jed s GLN 106 N -4.18 1.60 -1.96 0.44 0.74 0.01 -0.75 119.66 115.56 1jed s GLN 106 Ca 0.49 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.57 1jed s GLN 106 Cb -0.04 -1.50 0.00 0.00 1.10 0.00 0.00 33.01 32.57 1jed s GLN 106 CO 0.28 -0.14 0.00 -0.25 -0.55 0.00 0.00 175.29 174.64 1jed n ASP 107 N 4.43 -5.49 -1.76 6.67 10.43 -1.26 -1.50 116.55 128.06 1jed n ASP 107 Ca -0.17 0.31 -0.18 0.00 2.57 0.00 0.00 54.79 57.31 1jed n ASP 107 Cb 0.51 -4.66 -0.06 0.00 1.84 0.00 0.00 41.12 38.75 1jed n ASP 107 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1jed n ASP 108 N -1.40 -4.98 0.00 -2.24 9.92 -1.26 -4.70 116.55 111.88 1jed n ASP 108 Ca -0.21 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1jed n ASP 108 Cb 0.66 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 1jed n ASP 108 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jed n GLU 109 N -2.41 0.00 -3.45 -1.24 2.13 -0.67 -5.06 120.64 109.94 1jed n GLU 109 Ca -0.19 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.23 1jed n GLU 109 Cb 0.62 -0.54 -0.10 0.00 0.27 0.00 0.00 31.44 31.69 1jed n GLU 109 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jed s ILE 110 N -1.26 5.21 -0.28 6.31 1.01 -0.56 -4.91 121.20 126.71 1jed s ILE 110 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 1jed s ILE 110 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1jed s ILE 110 CO 0.00 0.10 1.38 -2.16 0.00 0.00 0.00 174.94 174.26 1jed s PRO 111 N 1.95 3.88 -0.17 2.79 0.04 -1.26 -0.81 135.00 141.43 1jed s PRO 111 Ca 0.11 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 1jed s PRO 111 Cb -0.16 -3.92 -0.13 0.00 0.04 0.00 0.00 34.50 30.33 1jed s PRO 111 CO 0.11 -1.17 0.14 0.82 0.04 0.00 0.00 177.00 176.94 1jed h ILE 112 N 6.01 0.64 -2.89 0.56 1.08 -1.23 -3.39 117.51 118.29 1jed h ILE 112 Ca -0.28 -1.71 0.08 0.00 -0.39 0.00 0.00 64.86 62.57 1jed h ILE 112 Cb 1.11 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 36.25 1jed h ILE 112 CO 1.03 0.22 0.28 0.00 -0.69 0.00 0.00 178.15 178.98 1jed s ALA 113 N -2.48 -1.26 -0.21 1.87 0.00 -1.09 -1.14 121.76 117.45 1jed s ALA 113 Ca -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1jed s ALA 113 Cb 0.03 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 1jed s ALA 113 CO 0.43 -1.04 -0.08 0.42 0.00 0.00 0.00 175.76 175.49 1jed s ILE 114 N -3.68 3.09 -0.15 0.00 -1.09 -0.76 -0.51 121.20 118.09 1jed s ILE 114 Ca 0.12 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.81 1jed s ILE 114 Cb -0.05 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 1jed s ILE 114 CO 0.07 0.45 0.29 -0.22 -1.23 0.00 0.00 174.94 174.30 1jed s LEU 115 N 1.41 4.26 -0.46 2.97 1.98 0.74 -1.69 118.68 127.90 1jed s LEU 115 Ca 0.05 0.53 -0.10 0.00 -2.89 0.00 0.00 54.13 51.72 1jed s LEU 115 Cb -0.14 -2.37 0.10 0.00 0.66 0.00 0.00 46.19 44.44 1jed s LEU 115 CO -0.05 0.12 0.33 -0.89 -1.89 0.00 0.00 176.35 173.96 1jed s THR 116 N 0.36 4.36 0.15 3.68 2.01 0.34 -0.38 115.64 126.17 1jed s THR 116 Ca 0.17 -1.56 -0.34 0.00 0.31 0.00 0.00 61.69 60.26 1jed s THR 116 Cb -0.13 -3.77 -0.14 0.00 0.01 0.00 0.00 72.50 68.47 1jed s THR 116 CO 0.04 -0.66 1.53 0.52 -0.69 0.00 0.00 174.62 175.36 1jed n VAL 117 N 4.96 0.04 -0.06 3.82 0.31 -0.25 -2.19 118.33 124.95 1jed n VAL 117 Ca -0.10 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.16 1jed n VAL 117 Cb 0.42 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 1jed n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jed n GLN 118 N 3.21 1.46 -3.63 5.55 6.02 -0.25 -1.32 117.38 128.42 1jed n GLN 118 Ca 0.17 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 57.12 1jed n GLN 118 Cb 0.27 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 1jed n GLN 118 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1jed s ASP 119 N -4.72 -0.31 -0.20 1.08 3.84 -1.17 -4.75 116.67 110.44 1jed s ASP 119 Ca -0.11 -0.22 -0.03 0.00 -0.00 0.00 0.00 52.55 52.19 1jed s ASP 119 Cb 0.04 0.49 0.06 0.00 -1.38 0.00 0.00 42.92 42.13 1jed s ASP 119 CO 0.38 -0.86 0.06 -0.69 -0.00 0.00 0.00 175.17 174.06 1jed s VAL 120 N -3.36 0.34 0.23 2.11 1.01 -1.26 -1.54 120.40 117.93 1jed s VAL 120 Ca 0.08 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1jed s VAL 120 Cb -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1jed s VAL 120 CO -0.04 -0.29 -0.14 -0.72 0.00 0.00 0.00 175.10 173.92 1jed s TYR 121 N 1.94 1.87 -0.64 5.22 -0.85 -0.67 -4.98 117.35 119.24 1jed s TYR 121 Ca 0.01 -0.54 -0.03 0.00 -0.52 0.00 0.00 57.07 55.99 1jed s TYR 121 Cb -0.17 -0.89 0.17 0.00 0.38 0.00 0.00 41.96 41.45 1jed s TYR 121 CO -0.11 0.42 0.46 0.21 -1.52 0.00 0.00 175.55 175.02 1jed s LYS 122 N -3.63 2.61 0.76 -3.49 2.20 -1.26 -0.44 119.74 116.50 1jed s LYS 122 Ca 0.25 -2.59 -0.15 0.00 -0.36 0.00 0.00 55.97 53.12 1jed s LYS 122 Cb -0.01 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1jed s LYS 122 CO 0.09 -1.18 0.59 -0.35 -0.36 0.00 0.00 175.35 174.14 1jed n PRO 123 N 3.40 0.23 -3.08 4.03 -0.04 -1.26 -4.92 135.00 133.37 1jed n PRO 123 Ca 0.09 0.12 -0.45 0.00 -0.04 0.00 0.00 63.50 63.22 1jed n PRO 123 Cb 0.38 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 1jed n PRO 123 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jed s ASN 124 N -1.60 6.34 0.59 3.54 3.04 -1.26 -4.90 114.94 120.69 1jed s ASN 124 Ca 0.65 -1.68 0.29 0.00 0.04 0.00 0.00 52.86 52.16 1jed s ASN 124 Cb -0.32 -2.32 1.55 0.00 -1.54 0.00 0.00 41.25 38.61 1jed s ASN 124 CO 0.58 -1.07 1.98 0.11 -3.04 0.00 0.00 177.10 175.66 1jed h LYS 125 N 8.97 0.00 -0.29 0.43 1.57 -1.97 -1.46 116.57 123.83 1jed h LYS 125 Ca -0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1jed h LYS 125 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1jed h LYS 125 CO 1.07 0.00 -0.30 1.15 -0.57 0.00 0.00 179.45 180.80 1jed h THR 126 N 0.00 1.30 -0.17 -0.16 2.02 -1.98 -0.10 112.91 113.82 1jed h THR 126 Ca 0.16 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1jed h THR 126 Cb 0.89 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1jed h THR 126 CO -0.00 0.47 0.04 0.40 0.37 0.00 0.00 175.52 176.80 1jed h ILE 127 N 0.45 1.21 -0.69 3.11 2.04 -1.69 0.44 117.51 122.37 1jed h ILE 127 Ca 0.04 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1jed h ILE 127 Cb 0.87 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1jed h ILE 127 CO 0.07 0.20 0.41 -0.08 0.00 0.00 0.00 178.15 178.76 1jed h GLU 128 N 0.07 0.76 0.47 2.37 4.81 -1.49 0.39 114.58 121.96 1jed h GLU 128 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jed h GLU 128 Cb 0.27 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1jed h GLU 128 CO 0.00 0.50 -0.34 0.00 -0.73 0.00 0.00 179.01 178.44 1jed h ALA 129 N 1.33 -0.81 0.60 2.92 0.00 -0.69 -1.42 119.26 121.19 1jed h ALA 129 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jed h ALA 129 Cb 0.11 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jed h ALA 129 CO -0.15 -0.98 -0.29 0.93 0.00 0.00 0.00 179.25 178.76 1jed h GLU 130 N -0.80 -0.78 -0.54 0.00 5.08 -0.48 0.88 114.58 117.95 1jed h GLU 130 Ca -0.05 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1jed h GLU 130 Cb 0.68 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1jed h GLU 130 CO 0.01 -0.47 -0.02 0.87 -1.00 0.00 0.00 179.01 178.41 1jed h LYS 131 N -1.01 0.93 0.05 2.33 1.79 -0.31 -1.88 116.57 118.47 1jed h LYS 131 Ca -0.08 -0.28 -0.38 0.00 -2.18 0.00 0.00 60.65 57.73 1jed h LYS 131 Cb 0.67 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.19 1jed h LYS 131 CO 0.14 0.93 -2.21 0.28 -1.08 0.00 0.00 179.45 177.50 1jed n VAL 132 N -4.19 1.62 -0.08 0.50 0.31 -0.54 -4.61 118.33 111.34 1jed n VAL 132 Ca 0.03 -0.57 0.06 0.00 -0.01 0.00 0.00 64.34 63.85 1jed n VAL 132 Cb 0.33 -1.62 0.16 0.00 -0.91 0.00 0.00 33.84 31.80 1jed n VAL 132 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jed n PHE 133 N -3.48 0.45 -1.18 3.52 3.72 -0.82 -4.91 117.46 114.76 1jed n PHE 133 Ca -0.40 -0.42 -0.06 0.00 -0.05 0.00 0.00 57.45 56.52 1jed n PHE 133 Cb 0.99 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 1jed n PHE 133 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1jed n ARG 134 N 0.69 -0.59 -0.09 -1.08 1.74 -0.71 -4.42 116.66 112.21 1jed n ARG 134 Ca 0.13 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1jed n ARG 134 Cb 0.43 -4.44 0.00 0.00 -1.02 0.00 0.00 32.46 27.43 1jed n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jed n GLY 135 N -1.92 0.17 3.64 -0.13 0.00 0.24 -4.85 105.19 102.34 1jed n GLY 135 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1jed n GLY 135 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jed s ASP 136 N -2.12 6.47 0.59 1.61 3.68 -1.26 -4.83 116.67 120.81 1jed s ASP 136 Ca 0.00 1.86 0.29 0.00 2.13 0.00 0.00 52.55 56.83 1jed s ASP 136 Cb 0.00 -2.53 1.44 0.00 -1.45 0.00 0.00 42.92 40.37 1jed s ASP 136 CO 0.00 -1.14 1.84 1.55 0.13 0.00 0.00 175.17 177.55 1jed h PRO 137 N 10.36 0.00 0.00 4.34 0.13 -1.97 0.18 132.00 145.04 1jed h PRO 137 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1jed h PRO 137 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jed h PRO 137 CO 0.98 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 179.05 1jed n GLU 138 N -3.70 0.16 -1.69 0.86 1.02 -1.26 -4.04 120.64 111.98 1jed n GLU 138 Ca 0.10 0.12 -0.44 0.00 -0.02 0.00 0.00 57.16 56.92 1jed n GLU 138 Cb 0.77 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1jed n GLU 138 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1jed n HIS 139 N -1.95 2.55 -0.30 -0.32 -0.00 0.64 -4.83 115.22 111.01 1jed n HIS 139 Ca 0.06 0.04 0.13 0.00 0.46 0.00 0.00 57.72 58.41 1jed n HIS 139 Cb 0.40 -2.66 0.31 0.00 -0.12 0.00 0.00 29.99 27.91 1jed n HIS 139 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jed h PRO 140 N 7.27 0.31 0.00 1.57 0.11 -1.88 -0.35 132.00 139.03 1jed h PRO 140 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1jed h PRO 140 Cb 1.23 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1jed h PRO 140 CO 0.93 0.20 -0.66 0.00 -0.21 0.00 0.00 178.00 178.27 1jed h ALA 141 N 1.74 0.90 -0.03 -0.75 0.00 -1.89 -2.31 119.26 116.91 1jed h ALA 141 Ca 0.56 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1jed h ALA 141 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jed h ALA 141 CO -0.58 0.82 -0.26 0.82 0.00 0.00 0.00 179.25 180.06 1jed h ILE 142 N 0.00 1.48 -0.39 0.00 2.04 -1.44 -0.55 117.51 118.66 1jed h ILE 142 Ca -0.01 -1.79 0.06 0.00 1.00 0.00 0.00 64.86 64.12 1jed h ILE 142 Cb 1.17 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 39.74 1jed h ILE 142 CO 0.09 0.50 0.09 -1.28 0.00 0.00 0.00 178.15 177.55 1jed h SER 143 N -0.36 0.05 0.02 1.72 0.87 -1.19 -0.65 113.55 114.01 1jed h SER 143 Ca -0.02 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1jed h SER 143 Cb 0.95 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1jed h SER 143 CO 0.05 0.06 -0.02 0.22 -0.53 0.00 0.00 176.83 176.62 1jed h TYR 144 N 0.23 -0.04 -0.65 2.24 3.20 -1.45 0.31 116.97 120.80 1jed h TYR 144 Ca 0.18 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.19 1jed h TYR 144 Cb 0.20 0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.37 1jed h TYR 144 CO -0.18 -0.03 -0.10 1.25 -1.64 0.00 0.00 178.16 177.47 1jed h LEU 145 N -0.04 -0.48 0.00 2.82 5.85 -0.22 0.51 115.31 123.75 1jed h LEU 145 Ca 0.00 0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.74 1jed h LEU 145 Cb 0.04 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1jed h LEU 145 CO -0.00 -0.18 -1.25 -0.26 -0.34 0.00 0.00 178.44 176.40 1jed h PHE 146 N 0.04 0.00 0.00 1.25 -1.00 -0.99 -3.31 116.94 112.93 1jed h PHE 146 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1jed h PHE 146 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1jed h PHE 146 CO -0.47 0.60 -1.84 0.09 -1.61 0.00 0.00 178.31 175.09 1jed n ASN 147 N -2.97 0.44 0.00 2.17 5.03 0.11 -4.79 115.26 115.25 1jed n ASN 147 Ca -0.08 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.30 1jed n ASN 147 Cb 0.84 1.85 0.00 0.00 -1.02 0.00 0.00 39.78 41.44 1jed n ASN 147 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1jed n VAL 148 N -2.14 0.00 -1.74 2.41 0.31 0.16 -5.02 118.33 112.31 1jed n VAL 148 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.90 1jed n VAL 148 Cb 0.51 -0.62 0.03 0.00 -0.91 0.00 0.00 33.84 32.84 1jed n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jed n ALA 149 N -2.42 1.75 -1.12 3.52 0.00 -0.27 -4.99 120.51 116.98 1jed n ALA 149 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1jed n ALA 149 Cb 0.38 -2.36 0.15 0.00 0.00 0.00 0.00 19.45 17.62 1jed n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jed s GLY 150 N -0.64 1.61 0.00 0.00 0.00 -1.26 -4.85 107.32 102.18 1jed s GLY 150 Ca 0.65 -0.06 0.25 0.00 0.00 0.00 0.00 44.72 45.56 1jed s GLY 150 CO 0.55 0.46 1.38 1.22 0.00 0.00 0.00 173.10 176.70 1jed n ASP 151 N -4.02 0.83 -4.14 1.64 10.43 -1.07 -4.67 116.55 115.55 1jed n ASP 151 Ca 0.07 -0.63 -0.30 0.00 2.57 0.00 0.00 54.79 56.50 1jed n ASP 151 Cb 0.55 0.32 -0.17 0.00 1.84 0.00 0.00 41.12 43.66 1jed n ASP 151 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1jed s TYR 152 N -2.80 2.22 -0.10 1.24 1.51 -0.54 -3.98 117.35 114.90 1jed s TYR 152 Ca 0.15 -0.97 -0.10 0.00 -1.01 0.00 0.00 57.07 55.15 1jed s TYR 152 Cb 0.18 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 1jed s TYR 152 CO 0.65 -0.44 0.22 0.71 -1.11 0.00 0.00 175.55 175.59 1jed s TYR 153 N 0.63 3.61 -0.31 2.71 4.12 0.42 0.11 117.35 128.64 1jed s TYR 153 Ca -0.13 0.64 -0.00 0.00 0.02 0.00 0.00 57.07 57.59 1jed s TYR 153 Cb -0.16 -2.08 0.07 0.00 -1.52 0.00 0.00 41.96 38.26 1jed s TYR 153 CO 0.04 0.64 0.01 0.08 0.02 0.00 0.00 175.55 176.34 1jed s VAL 154 N -0.82 2.80 0.39 0.71 1.01 0.69 -1.67 120.40 123.52 1jed s VAL 154 Ca 0.17 -1.63 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 1jed s VAL 154 Cb -0.13 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 1jed s VAL 154 CO 0.06 -0.22 0.80 -0.83 0.00 0.00 0.00 175.10 174.90 1jed s GLY 155 N 1.27 2.13 0.00 4.51 0.00 -0.59 -4.21 107.32 110.43 1jed s GLY 155 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1jed s GLY 155 CO -0.03 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.87 1jed n GLY 156 N -0.96 2.22 3.86 0.20 0.00 -0.81 -1.10 105.19 108.60 1jed n GLY 156 Ca 0.04 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1jed n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jed s SER 157 N 0.00 6.67 0.20 1.61 1.04 -0.93 -1.66 113.70 120.63 1jed s SER 157 Ca 0.00 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.79 1jed s SER 157 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1jed s SER 157 CO 0.00 -0.33 -0.00 -0.76 0.98 0.00 0.00 173.24 173.13 1jed s LEU 158 N -3.43 3.28 -0.13 2.42 1.02 0.03 -0.51 118.68 121.37 1jed s LEU 158 Ca 0.54 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 54.21 1jed s LEU 158 Cb -0.10 -1.90 0.05 0.00 0.02 0.00 0.00 46.19 44.25 1jed s LEU 158 CO 0.24 0.07 0.03 -1.61 0.02 0.00 0.00 176.35 175.09 1jed s GLU 159 N -3.13 0.57 0.31 1.70 2.02 -0.68 -4.91 118.70 114.58 1jed s GLU 159 Ca 0.28 -0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 1jed s GLU 159 Cb -0.09 -1.56 -0.10 0.00 0.10 0.00 0.00 34.13 32.49 1jed s GLU 159 CO 0.19 -0.49 1.27 0.00 0.02 0.00 0.00 175.26 176.25 1jed s ALA 160 N 1.94 3.49 -0.05 5.21 0.00 -1.26 -1.83 121.76 129.25 1jed s ALA 160 Ca 0.02 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 1jed s ALA 160 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1jed s ALA 160 CO -0.07 -0.55 -0.07 -0.89 0.00 0.00 0.00 175.76 174.18 1jed n ILE 161 N 1.02 0.30 -3.53 0.00 5.41 -0.30 -4.71 119.36 117.55 1jed n ILE 161 Ca 0.00 -0.08 -0.08 0.00 1.00 0.00 0.00 62.75 63.59 1jed n ILE 161 Cb 0.42 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 1jed n ILE 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jed s GLN 162 N -2.10 0.69 0.57 0.38 -2.07 -0.99 -4.95 119.66 111.18 1jed s GLN 162 Ca -0.08 -0.17 -0.16 0.00 -1.82 0.00 0.00 55.36 53.14 1jed s GLN 162 Cb 0.03 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1jed s GLN 162 CO 0.10 -0.28 1.03 -0.51 -1.32 0.00 0.00 175.29 174.30 1jed s LEU 163 N -2.11 3.52 0.46 2.60 1.43 -1.26 -4.68 118.68 118.64 1jed s LEU 163 Ca 0.04 1.69 -0.23 0.00 -1.03 0.00 0.00 54.13 54.60 1jed s LEU 163 Cb -0.01 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1jed s LEU 163 CO -0.06 -0.93 0.94 -2.65 0.23 0.00 0.00 176.35 173.88 1jed n PRO 164 N -1.92 1.17 -2.53 1.29 -0.02 -1.26 -4.92 135.00 126.81 1jed n PRO 164 Ca 0.08 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 1jed n PRO 164 Cb 0.53 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1jed n PRO 164 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1jed s GLN 165 N -2.11 4.19 -0.14 -0.52 2.00 -1.26 -5.06 119.66 116.75 1jed s GLN 165 Ca 0.66 1.55 -0.06 0.00 -2.00 0.00 0.00 55.36 55.50 1jed s GLN 165 Cb -0.53 -2.59 0.06 0.00 0.80 0.00 0.00 33.01 30.75 1jed s GLN 165 CO 0.55 -0.13 0.30 -1.01 -0.50 0.00 0.00 175.29 174.51 1jed s HIS 166 N -1.61 -0.46 -1.67 1.67 3.76 -1.26 -5.04 115.29 110.67 1jed s HIS 166 Ca 0.57 1.02 0.20 0.00 -0.15 0.00 0.00 55.06 56.70 1jed s HIS 166 Cb -0.23 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 1jed s HIS 166 CO 0.29 -0.32 0.97 0.66 -0.85 0.00 0.00 174.74 175.49 1jed n TYR 167 N 4.65 0.00 -4.09 1.40 4.01 -1.26 -4.78 117.16 117.10 1jed n TYR 167 Ca -0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.26 1jed n TYR 167 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1jed n TYR 167 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1jed s ASP 168 N -2.35 5.30 -1.62 7.72 -4.77 -1.26 -4.59 116.67 115.10 1jed s ASP 168 Ca 0.15 -0.11 -0.11 0.00 -3.30 0.00 0.00 52.55 49.18 1jed s ASP 168 Cb 0.16 -1.35 0.10 0.00 -1.09 0.00 0.00 42.92 40.74 1jed s ASP 168 CO 0.55 0.15 0.51 -1.22 0.70 0.00 0.00 175.17 175.87 1jed n TYR 169 N 0.34 -1.54 -0.33 2.11 4.01 -1.26 -4.84 117.16 115.65 1jed n TYR 169 Ca -0.09 0.73 0.20 0.00 -0.16 0.00 0.00 57.90 58.58 1jed n TYR 169 Cb 0.52 -2.98 0.39 0.00 -0.31 0.00 0.00 39.34 36.96 1jed n TYR 169 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jed h PRO 170 N -1.56 0.07 -0.01 -0.72 0.11 -1.86 -1.76 132.00 126.27 1jed h PRO 170 Ca -0.62 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1jed h PRO 170 Cb 1.39 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1jed h PRO 170 CO 0.74 0.05 -0.59 0.41 -0.21 0.00 0.00 178.00 178.40 1jed n GLY 171 N -1.39 -0.44 0.11 -0.55 0.00 -1.26 -4.43 105.19 97.23 1jed n GLY 171 Ca 0.28 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1jed n GLY 171 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jed h LEU 172 N 1.41 0.00 -5.48 0.99 3.38 -1.69 -3.39 115.31 110.53 1jed h LEU 172 Ca 0.00 -0.09 -0.71 0.00 0.09 0.00 0.00 57.88 57.17 1jed h LEU 172 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1jed h LEU 172 CO 0.00 0.05 3.07 -1.14 0.09 0.00 0.00 178.44 180.50 1jed n ARG 173 N -2.42 3.97 -1.73 1.13 0.63 -1.24 -0.85 116.66 116.15 1jed n ARG 173 Ca 0.03 -2.85 -0.42 0.00 -0.92 0.00 0.00 57.85 53.69 1jed n ARG 173 Cb 0.47 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1jed n ARG 173 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1jed n LYS 174 N 3.12 2.27 -2.45 -0.14 4.76 -1.26 -4.92 118.16 119.53 1jed n LYS 174 Ca 0.66 0.80 -0.26 0.00 -2.87 0.00 0.00 58.31 56.64 1jed n LYS 174 Cb 0.26 -2.46 0.03 0.00 -1.84 0.00 0.00 35.03 31.03 1jed n LYS 174 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jed s THR 175 N -1.13 3.48 0.19 -0.18 -4.23 -1.26 -4.77 115.64 107.74 1jed s THR 175 Ca 0.56 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 1jed s THR 175 Cb -0.52 -3.38 0.13 0.00 1.34 0.00 0.00 72.50 70.07 1jed s THR 175 CO 0.62 -0.37 1.71 -0.65 -0.54 0.00 0.00 174.62 175.39 1jed h PRO 176 N -0.15 0.23 0.06 3.99 0.11 -1.88 0.17 132.00 134.53 1jed h PRO 176 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jed h PRO 176 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jed h PRO 176 CO 0.60 0.15 -0.03 0.00 -0.21 0.00 0.00 178.00 178.51 1jed h ALA 177 N 1.42 -0.08 -0.04 -0.75 0.00 -1.88 0.07 119.26 118.01 1jed h ALA 177 Ca 0.27 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1jed h ALA 177 Cb 0.38 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1jed h ALA 177 CO -0.36 -0.54 -0.12 1.96 0.00 0.00 0.00 179.25 180.19 1jed h GLN 178 N -0.08 -0.18 -0.31 0.00 4.20 -1.79 -0.54 115.11 116.41 1jed h GLN 178 Ca -0.01 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1jed h GLN 178 Cb 0.06 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1jed h GLN 178 CO 0.01 -0.12 0.13 1.25 -0.67 0.00 0.00 178.83 179.43 1jed h LEU 179 N -0.18 0.16 -1.08 1.46 6.46 -0.56 -0.05 115.31 121.52 1jed h LEU 179 Ca 0.06 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.97 1jed h LEU 179 Cb 0.26 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 1jed h LEU 179 CO -0.14 0.13 0.62 0.03 -0.62 0.00 0.00 178.44 178.45 1jed h ARG 180 N 0.28 0.87 -0.06 1.25 3.08 -0.61 0.23 114.38 119.41 1jed h ARG 180 Ca 0.13 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1jed h ARG 180 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1jed h ARG 180 CO -0.12 0.57 -0.42 1.25 -1.07 0.00 0.00 179.97 180.18 1jed h LEU 181 N 0.89 0.13 0.22 3.04 6.46 0.10 -2.11 115.31 124.04 1jed h LEU 181 Ca 0.49 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1jed h LEU 181 Cb 0.60 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1jed h LEU 181 CO -0.26 0.54 -0.11 -0.33 -0.62 0.00 0.00 178.44 177.67 1jed h GLU 182 N 0.11 -0.29 -0.84 1.25 4.39 0.12 -0.79 114.58 118.53 1jed h GLU 182 Ca 0.01 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1jed h GLU 182 Cb 0.80 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.45 1jed h GLU 182 CO 0.06 0.03 0.50 0.74 -1.16 0.00 0.00 179.01 179.19 1jed h PHE 183 N -0.63 0.92 0.48 4.33 0.04 -1.00 -2.89 116.94 118.20 1jed h PHE 183 Ca -0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1jed h PHE 183 Cb 0.45 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1jed h PHE 183 CO 0.03 0.43 -0.23 0.37 -0.60 0.00 0.00 178.31 178.30 1jed h GLN 184 N 0.88 -0.62 -0.26 1.51 4.15 -1.29 0.30 115.11 119.78 1jed h GLN 184 Ca 0.38 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.92 1jed h GLN 184 Cb 0.26 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1jed h GLN 184 CO -0.20 -0.36 0.43 0.66 -1.93 0.00 0.00 178.83 177.43 1jed h SER 185 N -0.78 0.00 0.02 -0.69 4.64 -0.96 0.90 113.55 116.68 1jed h SER 185 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1jed h SER 185 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1jed h SER 185 CO 0.11 0.00 -0.53 0.54 -0.87 0.00 0.00 176.83 176.08 1jed n ARG 186 N -3.38 0.98 -3.05 4.77 1.74 -0.98 -4.97 116.66 111.77 1jed n ARG 186 Ca 0.04 -0.79 -0.14 0.00 -0.77 0.00 0.00 57.85 56.19 1jed n ARG 186 Cb 0.56 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1jed n ARG 186 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jed n GLN 187 N -0.32 -4.36 -3.08 5.56 6.02 0.31 -4.98 117.38 116.53 1jed n GLN 187 Ca 0.09 0.51 -0.43 0.00 -0.01 0.00 0.00 57.00 57.16 1jed n GLN 187 Cb 0.44 -4.56 -0.06 0.00 1.02 0.00 0.00 30.24 27.07 1jed n GLN 187 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jed s TRP 188 N -3.13 3.05 -0.71 1.08 0.52 0.93 -4.87 118.94 115.81 1jed s TRP 188 Ca 0.31 -0.03 0.14 0.00 0.02 0.00 0.00 56.10 56.54 1jed s TRP 188 Cb -0.14 -3.41 0.46 0.00 -1.15 0.00 0.00 33.47 29.23 1jed s TRP 188 CO 0.39 -0.90 1.38 -0.40 0.02 0.00 0.00 176.95 177.44 1jed n ASP 189 N 6.34 3.58 -3.38 2.95 3.85 -1.26 -4.50 116.55 124.13 1jed n ASP 189 Ca -0.01 -2.43 -0.05 0.00 -0.71 0.00 0.00 54.79 51.59 1jed n ASP 189 Cb 0.48 -0.40 -0.06 0.00 -1.35 0.00 0.00 41.12 39.78 1jed n ASP 189 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1jed s ARG 190 N -1.78 0.41 -0.07 0.11 0.52 -1.26 -4.97 118.95 111.91 1jed s ARG 190 Ca 0.35 0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.34 1jed s ARG 190 Cb 0.23 -0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.72 1jed s ARG 190 CO 0.15 -0.54 -0.01 0.08 0.02 0.00 0.00 175.30 175.00 1jed s VAL 191 N 2.65 0.47 -0.26 3.52 1.01 -1.26 -0.61 120.40 125.92 1jed s VAL 191 Ca 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 1jed s VAL 191 Cb -0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1jed s VAL 191 CO -0.17 0.26 0.26 0.54 0.00 0.00 0.00 175.10 176.00 1jed s VAL 192 N 1.74 5.27 0.02 2.92 0.11 0.34 -1.22 120.40 129.58 1jed s VAL 192 Ca 0.02 0.35 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 1jed s VAL 192 Cb -0.13 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1jed s VAL 192 CO -0.05 0.24 0.44 0.00 -3.33 0.00 0.00 175.10 172.41 1jed s ALA 193 N 1.64 3.67 -0.20 1.54 0.00 -0.04 -1.50 121.76 126.87 1jed s ALA 193 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1jed s ALA 193 Cb -0.15 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1jed s ALA 193 CO 0.09 0.47 -0.16 0.12 0.00 0.00 0.00 175.76 176.27 1jed s PHE 194 N -1.10 2.90 0.22 0.00 5.36 -0.39 -1.47 117.98 123.51 1jed s PHE 194 Ca 0.25 -1.69 -0.16 0.00 -0.96 0.00 0.00 56.93 54.37 1jed s PHE 194 Cb -0.17 -1.95 -0.08 0.00 -0.34 0.00 0.00 43.02 40.48 1jed s PHE 194 CO 0.15 -0.79 0.65 -1.14 -1.46 0.00 0.00 175.22 172.63 1jed s GLN 195 N 1.28 4.06 -0.17 10.12 2.00 -1.26 -1.54 119.66 134.14 1jed s GLN 195 Ca 0.02 0.64 -0.29 0.00 -2.00 0.00 0.00 55.36 53.73 1jed s GLN 195 Cb -0.15 -2.77 0.11 0.00 0.80 0.00 0.00 33.01 31.01 1jed s GLN 195 CO -0.10 0.36 0.94 -0.08 -0.50 0.00 0.00 175.29 175.91 1jed s THR 196 N -1.64 0.00 0.00 -0.34 -1.32 -1.26 -4.98 115.64 106.10 1jed s THR 196 Ca 0.44 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1jed s THR 196 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1jed s THR 196 CO 0.20 0.00 0.51 -2.11 -2.21 0.00 0.00 174.62 171.01 1jed n ARG 197 N 1.14 0.58 -4.57 7.08 1.85 -1.26 -1.50 116.66 119.99 1jed n ARG 197 Ca -0.12 -0.62 -0.27 0.00 -1.00 0.00 0.00 57.85 55.83 1jed n ARG 197 Cb 0.57 -0.67 -0.09 0.00 -1.05 0.00 0.00 32.46 31.23 1jed n ARG 197 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1jed s ASN 198 N -0.23 3.09 0.65 2.89 0.02 -1.26 -4.67 114.94 115.43 1jed s ASN 198 Ca 0.00 -1.60 -0.13 0.00 -1.02 0.00 0.00 52.86 50.11 1jed s ASN 198 Cb 0.00 0.36 -0.01 0.00 0.02 0.00 0.00 41.25 41.62 1jed s ASN 198 CO 0.00 -0.83 1.06 -2.16 0.02 0.00 0.00 177.10 175.18 1jed s PRO 199 N -3.78 3.09 -0.16 -0.60 0.04 -1.26 -5.02 135.00 127.31 1jed s PRO 199 Ca 0.22 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 1jed s PRO 199 Cb 0.04 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1jed s PRO 199 CO 0.12 -0.98 0.21 -1.64 0.04 0.00 0.00 177.00 174.75 1jed s MET 200 N -4.66 4.09 0.15 4.56 -1.94 -1.26 -5.06 119.30 115.18 1jed s MET 200 Ca 0.60 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.53 1jed s MET 200 Cb -0.15 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.32 1jed s MET 200 CO 0.48 0.37 0.05 0.72 -0.01 0.00 0.00 175.02 176.63 1jed n HIS 201 N 3.22 -0.32 -0.20 -0.03 8.25 -1.26 -4.87 115.22 120.01 1jed n HIS 201 Ca -0.15 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 1jed n HIS 201 Cb 0.52 -0.11 0.09 0.00 1.12 0.00 0.00 29.99 31.61 1jed n HIS 201 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1jed h ARG 202 N 0.00 0.09 -0.63 -0.41 9.65 -1.63 -1.51 114.38 119.94 1jed h ARG 202 Ca -0.11 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1jed h ARG 202 Cb 0.37 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.85 1jed h ARG 202 CO 0.19 0.06 0.20 0.00 2.80 0.00 0.00 179.97 183.22 1jed h ALA 203 N 1.55 0.80 0.02 2.80 0.00 -1.90 -0.76 119.26 121.77 1jed h ALA 203 Ca 0.30 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1jed h ALA 203 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jed h ALA 203 CO -0.53 -0.24 -0.01 0.45 0.00 0.00 0.00 179.25 178.92 1jed h HIS 204 N 0.36 -0.02 -0.41 0.00 3.86 -1.68 0.34 115.15 117.60 1jed h HIS 204 Ca 0.33 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.59 1jed h HIS 204 Cb 0.45 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 1jed h HIS 204 CO -0.20 0.07 0.11 -0.09 0.86 0.00 0.00 177.93 178.68 1jed h ARG 205 N -0.11 0.24 -0.49 2.45 1.12 -1.07 0.15 114.38 116.68 1jed h ARG 205 Ca -0.00 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.79 1jed h ARG 205 Cb 0.10 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 1jed h ARG 205 CO 0.00 0.16 0.05 0.93 -3.11 0.00 0.00 179.97 178.00 1jed h GLU 206 N 0.25 0.83 -0.53 0.20 3.07 -0.87 -1.79 114.58 115.74 1jed h GLU 206 Ca 0.19 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1jed h GLU 206 Cb 0.21 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1jed h GLU 206 CO -0.23 0.85 -0.08 1.37 -1.40 0.00 0.00 179.01 179.52 1jed h LEU 207 N 0.70 0.97 -1.10 1.33 8.10 0.24 -0.64 115.31 124.91 1jed h LEU 207 Ca 0.14 -0.30 -0.09 0.00 0.11 0.00 0.00 57.88 57.74 1jed h LEU 207 Cb 0.44 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1jed h LEU 207 CO 0.02 1.06 -0.44 0.71 -4.11 0.00 0.00 178.44 175.68 1jed h THR 208 N 0.88 1.26 -0.05 0.15 1.35 -0.63 -1.61 112.91 114.26 1jed h THR 208 Ca 0.15 -1.54 -0.25 0.00 -0.55 0.00 0.00 66.41 64.22 1jed h THR 208 Cb 0.62 1.84 0.02 0.00 -1.73 0.00 0.00 68.15 68.90 1jed h THR 208 CO 0.04 0.43 -0.95 0.58 -0.25 0.00 0.00 175.52 175.37 1jed h VAL 209 N 0.00 1.28 -0.73 6.82 2.07 -1.03 -1.76 116.25 122.91 1jed h VAL 209 Ca -0.00 -2.16 0.01 0.00 0.82 0.00 0.00 66.70 65.36 1jed h VAL 209 Cb 0.81 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1jed h VAL 209 CO 0.06 0.67 0.48 0.03 0.02 0.00 0.00 177.57 178.83 1jed h ARG 210 N 0.44 0.97 -0.15 1.57 3.08 -0.85 -0.37 114.38 119.07 1jed h ARG 210 Ca -0.10 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1jed h ARG 210 Cb 1.60 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1jed h ARG 210 CO 0.19 0.65 0.01 0.00 -1.07 0.00 0.00 179.97 179.75 1jed h ALA 211 N 1.26 0.13 -0.69 0.04 0.00 -1.21 0.61 119.26 119.39 1jed h ALA 211 Ca 0.27 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1jed h ALA 211 Cb -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jed h ALA 211 CO -0.06 -0.44 0.46 0.00 0.00 0.00 0.00 179.25 179.21 1jed h ALA 212 N 1.12 1.75 0.04 0.00 0.00 -0.60 0.37 119.26 121.94 1jed h ALA 212 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1jed h ALA 212 Cb 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jed h ALA 212 CO -0.11 0.13 -0.59 -0.09 0.00 0.00 0.00 179.25 178.60 1jed h ARG 213 N 0.69 0.32 -0.04 0.00 2.43 -0.30 -0.68 114.38 116.81 1jed h ARG 213 Ca 0.30 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1jed h ARG 213 Cb 0.29 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1jed h ARG 213 CO -0.10 1.11 0.01 0.93 -1.51 0.00 0.00 179.97 180.41 1jed h GLU 214 N -0.28 0.06 0.00 0.20 3.07 0.68 -3.10 114.58 115.21 1jed h GLU 214 Ca -0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1jed h GLU 214 Cb 1.35 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1jed h GLU 214 CO 0.11 0.25 0.00 0.00 -1.40 0.00 0.00 179.01 177.98 1jed n ALA 215 N -2.21 2.18 -3.48 3.43 0.00 0.13 -4.92 120.51 115.63 1jed n ALA 215 Ca -0.07 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1jed n ALA 215 Cb 0.13 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.22 1jed n ALA 215 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jed n ASN 216 N -1.94 -1.90 -4.10 0.00 4.13 -0.37 -5.00 115.26 106.08 1jed n ASN 216 Ca 0.06 -0.66 -0.08 0.00 1.68 0.00 0.00 54.58 55.58 1jed n ASN 216 Cb 0.36 -4.93 -0.10 0.00 -1.54 0.00 0.00 39.78 33.57 1jed n ASN 216 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jed s ALA 217 N -3.42 0.60 0.76 5.41 0.00 -0.56 -4.86 121.76 119.69 1jed s ALA 217 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 1jed s ALA 217 Cb -0.00 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.63 1jed s ALA 217 CO 0.75 -0.41 1.09 0.15 0.00 0.00 0.00 175.76 177.34 1jed s LYS 218 N -3.96 2.42 -0.23 0.00 -0.14 0.22 -4.54 119.74 113.51 1jed s LYS 218 Ca 0.12 0.64 -0.09 0.00 -1.36 0.00 0.00 55.97 55.28 1jed s LYS 218 Cb 0.08 -1.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 1jed s LYS 218 CO -0.06 -1.38 0.11 0.08 -0.76 0.00 0.00 175.35 173.33 1jed s VAL 219 N -3.19 4.86 -0.34 3.17 1.01 0.10 -0.51 120.40 125.50 1jed s VAL 219 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1jed s VAL 219 Cb -0.13 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1jed s VAL 219 CO 0.54 0.37 0.10 -0.22 0.00 0.00 0.00 175.10 175.88 1jed s LEU 220 N 1.11 4.30 -0.64 3.92 2.96 -0.56 0.31 118.68 130.07 1jed s LEU 220 Ca 0.05 -1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 52.56 1jed s LEU 220 Cb -0.14 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.75 1jed s LEU 220 CO 0.04 -0.32 1.04 -0.63 -1.32 0.00 0.00 176.35 175.16 1jed s ILE 221 N 1.39 4.19 -0.88 6.68 -1.09 0.35 -1.26 121.20 130.57 1jed s ILE 221 Ca -0.02 0.07 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1jed s ILE 221 Cb -0.20 -4.70 0.25 0.00 -1.58 0.00 0.00 42.46 36.24 1jed s ILE 221 CO 0.02 -1.44 0.98 1.57 -1.23 0.00 0.00 174.94 174.84 1jed n HIS 222 N 8.04 3.56 -2.38 3.97 -0.00 -0.59 -2.51 115.22 125.32 1jed n HIS 222 Ca -0.00 -3.71 -0.35 0.00 0.46 0.00 0.00 57.72 54.12 1jed n HIS 222 Cb 0.47 -1.03 -0.02 0.00 -0.12 0.00 0.00 29.99 29.30 1jed n HIS 222 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1jed s PRO 223 N -2.07 3.64 -0.21 1.57 0.04 -1.23 -4.15 135.00 132.59 1jed s PRO 223 Ca 0.32 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1jed s PRO 223 Cb 0.02 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1jed s PRO 223 CO -0.03 -0.60 0.79 0.08 0.04 0.00 0.00 177.00 177.28 1jed s VAL 224 N -1.79 4.89 -0.09 -0.36 1.01 -0.56 -0.78 120.40 122.72 1jed s VAL 224 Ca 0.68 1.52 0.01 0.00 0.00 0.00 0.00 61.98 64.19 1jed s VAL 224 Cb -0.22 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1jed s VAL 224 CO 0.26 -0.00 0.88 1.33 0.00 0.00 0.00 175.10 177.57 1jed n VAL 225 N 4.96 0.71 0.00 2.92 0.24 0.10 -4.84 118.33 122.43 1jed n VAL 225 Ca 0.04 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1jed n VAL 225 Cb 0.48 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1jed n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jed n GLY 226 N -0.28 1.83 2.95 7.63 0.00 -1.10 -4.90 105.19 111.32 1jed n GLY 226 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1jed n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jed s LEU 227 N 0.00 1.85 0.00 0.99 1.43 -0.86 -4.94 118.68 117.14 1jed s LEU 227 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1jed s LEU 227 Cb 0.00 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.89 1jed s LEU 227 CO 0.00 0.04 0.00 0.35 0.23 0.00 0.00 176.35 176.97 1jed n THR 228 N 3.19 0.00 -4.27 5.49 -2.24 -1.26 0.39 114.28 115.59 1jed n THR 228 Ca -0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 1jed n THR 228 Cb 0.56 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1jed n THR 228 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jed s LYS 229 N 3.30 3.49 0.13 -0.78 2.20 -1.26 -4.77 119.74 122.04 1jed s LYS 229 Ca 0.00 -0.41 -0.34 0.00 -0.36 0.00 0.00 55.97 54.86 1jed s LYS 229 Cb 0.00 -2.96 -0.13 0.00 -1.51 0.00 0.00 37.83 33.23 1jed s LYS 229 CO 0.00 0.45 1.65 -2.30 -0.36 0.00 0.00 175.35 174.78 1jed n PRO 230 N 2.94 2.24 0.00 4.03 -0.02 -1.26 -1.21 135.00 141.73 1jed n PRO 230 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1jed n PRO 230 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1jed n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jed n GLY 231 N 3.65 0.55 3.68 -1.23 0.00 -1.26 -5.08 105.19 105.50 1jed n GLY 231 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1jed n GLY 231 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jed s ASP 232 N -1.99 3.19 0.33 1.61 1.01 -0.35 -4.96 116.67 115.51 1jed s ASP 232 Ca 0.00 1.75 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 1jed s ASP 232 Cb 0.00 -2.37 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 1jed s ASP 232 CO 0.00 -2.86 1.26 -0.63 0.21 0.00 0.00 175.17 173.15 1jed s ILE 233 N -2.78 2.89 0.68 0.77 -1.09 -1.26 -4.95 121.20 115.45 1jed s ILE 233 Ca 0.64 0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 59.78 1jed s ILE 233 Cb -0.20 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1jed s ILE 233 CO 0.58 0.20 1.27 1.51 -1.23 0.00 0.00 174.94 177.27 1jed s ASP 234 N -0.62 4.44 0.48 3.58 -4.77 -1.26 -4.83 116.67 113.70 1jed s ASP 234 Ca 0.49 2.56 0.21 0.00 -3.30 0.00 0.00 52.55 52.50 1jed s ASP 234 Cb -0.38 -2.61 1.23 0.00 -1.09 0.00 0.00 42.92 40.08 1jed s ASP 234 CO 0.49 -2.11 2.03 1.12 0.70 0.00 0.00 175.17 177.40 1jed h HIS 235 N 0.27 0.00 0.00 2.11 2.07 -1.92 -2.38 115.15 115.31 1jed h HIS 235 Ca -0.50 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.02 1jed h HIS 235 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 1jed h HIS 235 CO 0.43 0.16 -0.00 0.45 -3.07 0.00 0.00 177.93 175.89 1jed h HIS 236 N 0.00 -0.01 -0.84 6.12 3.86 -1.97 0.55 115.15 122.86 1jed h HIS 236 Ca -0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1jed h HIS 236 Cb 0.34 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 1jed h HIS 236 CO 0.00 0.19 0.55 1.15 0.86 0.00 0.00 177.93 180.69 1jed h THR 237 N -0.20 1.17 -0.18 2.45 2.02 -1.89 -2.28 112.91 114.00 1jed h THR 237 Ca -0.00 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 1jed h THR 237 Cb 0.20 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1jed h THR 237 CO 0.00 0.20 -0.20 0.03 0.37 0.00 0.00 175.52 175.92 1jed h ARG 238 N 1.09 0.45 -0.84 6.66 3.08 -0.96 -1.56 114.38 122.30 1jed h ARG 238 Ca 0.32 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 60.24 1jed h ARG 238 Cb -0.04 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 1jed h ARG 238 CO -0.08 0.83 0.46 0.28 -1.07 0.00 0.00 179.97 180.38 1jed h VAL 239 N 0.10 0.83 -0.23 2.04 2.07 0.46 0.56 116.25 122.08 1jed h VAL 239 Ca 0.02 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1jed h VAL 239 Cb 0.76 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1jed h VAL 239 CO 0.05 0.13 0.13 0.03 0.02 0.00 0.00 177.57 177.93 1jed h ARG 240 N 0.73 0.32 -0.69 1.57 3.08 -1.35 0.30 114.38 118.33 1jed h ARG 240 Ca 0.43 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.49 1jed h ARG 240 Cb 0.49 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1jed h ARG 240 CO -0.30 0.29 0.41 0.28 -1.07 0.00 0.00 179.97 179.58 1jed h VAL 241 N 0.26 1.02 0.09 2.04 2.07 0.08 -1.05 116.25 120.76 1jed h VAL 241 Ca 0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1jed h VAL 241 Cb 0.06 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1jed h VAL 241 CO -0.01 0.14 -0.04 1.88 0.02 0.00 0.00 177.57 179.55 1jed h TYR 242 N 0.77 -0.11 -0.02 1.57 0.99 0.61 0.46 116.97 121.23 1jed h TYR 242 Ca 0.30 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 1jed h TYR 242 Cb 0.13 0.04 -0.00 0.00 1.00 0.00 0.00 36.73 37.90 1jed h TYR 242 CO -0.06 0.11 -0.01 1.96 -0.00 0.00 0.00 178.16 180.16 1jed h GLN 243 N -0.33 0.02 0.09 4.88 4.20 -0.23 -0.92 115.11 122.83 1jed h GLN 243 Ca -0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1jed h GLN 243 Cb 0.28 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1jed h GLN 243 CO 0.02 0.04 -0.04 1.49 -0.67 0.00 0.00 178.83 179.67 1jed h GLU 244 N 0.03 -0.12 0.00 1.46 4.57 -0.91 -3.30 114.58 116.30 1jed h GLU 244 Ca 0.01 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1jed h GLU 244 Cb 0.04 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1jed h GLU 244 CO 0.00 0.41 -0.04 0.97 -1.18 0.00 0.00 179.01 179.17 1jed h ILE 245 N -0.86 0.81 0.00 2.32 2.10 -0.58 -1.96 117.51 119.33 1jed h ILE 245 Ca -0.01 -0.16 -0.00 0.00 1.08 0.00 0.00 64.86 65.77 1jed h ILE 245 Cb 0.58 1.09 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1jed h ILE 245 CO 0.02 0.04 -0.01 -0.29 -1.08 0.00 0.00 178.15 176.83 1jed h ILE 246 N 0.00 0.06 0.00 2.19 2.10 -1.25 0.03 117.51 120.65 1jed h ILE 246 Ca -0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1jed h ILE 246 Cb 0.09 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1jed h ILE 246 CO 0.01 0.01 0.00 0.29 -1.08 0.00 0.00 178.15 177.37 1jed n LYS 247 N -3.16 0.39 0.00 2.19 4.76 -0.74 -2.92 118.16 118.69 1jed n LYS 247 Ca -0.02 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 1jed n LYS 247 Cb 0.15 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.10 1jed n LYS 247 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jed n ARG 248 N -1.27 0.80 -3.02 1.97 5.12 -0.00 -4.88 116.66 115.37 1jed n ARG 248 Ca 0.13 -0.53 -0.28 0.00 -1.93 0.00 0.00 57.85 55.24 1jed n ARG 248 Cb 0.20 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 1jed n ARG 248 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1jed s TYR 249 N -2.57 3.50 0.38 -1.55 1.51 -1.15 -5.03 117.35 112.45 1jed s TYR 249 Ca 0.21 0.75 -0.27 0.00 -1.01 0.00 0.00 57.07 56.75 1jed s TYR 249 Cb 0.19 -2.22 -0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1jed s TYR 249 CO 0.56 -0.03 1.32 -1.25 -1.11 0.00 0.00 175.55 175.04 1jed s PRO 250 N -4.07 4.10 -0.25 -1.71 0.04 -1.26 -4.87 135.00 126.98 1jed s PRO 250 Ca 0.46 2.21 -0.41 0.00 0.04 0.00 0.00 61.00 63.30 1jed s PRO 250 Cb -0.10 -2.87 -0.17 0.00 0.04 0.00 0.00 34.50 31.39 1jed s PRO 250 CO 0.35 -0.40 1.58 0.09 0.04 0.00 0.00 177.00 178.66 1jed n ASN 251 N 0.36 1.74 0.00 6.66 4.13 -1.26 -1.89 115.26 125.00 1jed n ASN 251 Ca 0.02 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.40 1jed n ASN 251 Cb 0.43 -1.06 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1jed n ASN 251 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jed n GLY 252 N 3.62 0.74 0.07 7.41 0.00 -1.26 -4.96 105.19 110.81 1jed n GLY 252 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 1jed n GLY 252 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jed n ILE 253 N -2.38 0.71 -4.31 -0.61 3.06 -0.79 -4.99 119.36 110.05 1jed n ILE 253 Ca 0.00 -0.64 -0.22 0.00 -2.50 0.00 0.00 62.75 59.39 1jed n ILE 253 Cb 0.00 -0.34 -0.12 0.00 0.54 0.00 0.00 39.64 39.72 1jed n ILE 253 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jed s ALA 254 N -3.10 1.89 0.00 1.51 0.00 -1.26 0.01 121.76 120.81 1jed s ALA 254 Ca -0.06 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1jed s ALA 254 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1jed s ALA 254 CO 0.85 0.26 -0.14 0.12 0.00 0.00 0.00 175.76 176.85 1jed s PHE 255 N -1.76 1.27 -0.11 0.00 5.36 0.15 -4.96 117.98 117.93 1jed s PHE 255 Ca 0.12 -0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 55.82 1jed s PHE 255 Cb -0.07 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.78 1jed s PHE 255 CO 0.05 -0.01 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.55 1jed s LEU 256 N -0.51 2.98 -0.12 6.12 2.96 -1.26 -0.49 118.68 128.35 1jed s LEU 256 Ca 0.05 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 1jed s LEU 256 Cb -0.06 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1jed s LEU 256 CO -0.00 0.25 0.30 -0.55 -1.32 0.00 0.00 176.35 175.03 1jed s SER 257 N -0.12 -0.34 0.01 3.68 0.15 -1.04 -4.98 113.70 111.05 1jed s SER 257 Ca 0.00 0.64 -0.22 0.00 0.70 0.00 0.00 55.95 57.07 1jed s SER 257 Cb -0.13 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1jed s SER 257 CO 0.03 -0.16 0.65 -0.76 1.20 0.00 0.00 173.24 174.20 1jed s LEU 258 N 1.05 4.42 -0.31 3.45 1.43 -0.03 -3.50 118.68 125.19 1jed s LEU 258 Ca -0.07 1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1jed s LEU 258 Cb -0.08 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1jed s LEU 258 CO -0.08 0.07 0.07 -0.22 0.23 0.00 0.00 176.35 176.42 1jed s LEU 259 N -0.12 3.95 0.00 1.79 2.96 0.04 -4.12 118.68 123.18 1jed s LEU 259 Ca 0.33 -0.92 -0.00 0.00 -0.22 0.00 0.00 54.13 53.32 1jed s LEU 259 Cb -0.19 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1jed s LEU 259 CO 0.19 -0.24 1.70 -0.81 -1.32 0.00 0.00 176.35 175.87 1jed n PRO 260 N 4.81 0.86 -2.82 0.98 -0.04 -1.26 -0.72 135.00 136.81 1jed n PRO 260 Ca -0.14 -0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 1jed n PRO 260 Cb 0.46 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1jed n PRO 260 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jed s LEU 261 N 0.00 4.02 -0.42 1.53 2.96 -1.26 -4.42 118.68 121.08 1jed s LEU 261 Ca 0.03 1.71 -0.10 0.00 -0.22 0.00 0.00 54.13 55.55 1jed s LEU 261 Cb 0.01 -4.44 0.08 0.00 0.50 0.00 0.00 46.19 42.34 1jed s LEU 261 CO 0.00 -0.30 0.27 0.00 -1.32 0.00 0.00 176.35 175.00 1jed s ALA 262 N -2.07 3.32 1.02 5.97 0.00 -1.26 -2.04 121.76 126.70 1jed s ALA 262 Ca 0.60 -2.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 1jed s ALA 262 Cb -0.11 -2.70 0.20 0.00 0.00 0.00 0.00 23.12 20.52 1jed s ALA 262 CO 0.15 -1.66 1.08 -1.64 0.00 0.00 0.00 175.76 173.69 1jed s MET 263 N 1.45 0.19 0.00 0.00 1.00 0.16 -4.88 119.30 117.23 1jed s MET 263 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 55.69 56.80 1jed s MET 263 Cb -0.23 -1.67 0.00 0.00 0.00 0.00 0.00 34.83 32.93 1jed s MET 263 CO 0.03 -3.04 0.05 0.54 0.00 0.00 0.00 175.02 172.59 1jed n ARG 264 N -4.47 4.61 -3.55 2.03 3.00 -1.26 -4.79 116.66 112.23 1jed n ARG 264 Ca 0.07 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.85 57.61 1jed n ARG 264 Cb 0.54 -0.44 0.05 0.00 0.00 0.00 0.00 32.46 32.61 1jed n ARG 264 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1jed n MET 265 N -0.67 -6.53 -1.55 5.56 2.81 -1.26 -3.77 117.12 111.71 1jed n MET 265 Ca 0.00 0.77 -0.31 0.00 -1.81 0.00 0.00 57.70 56.35 1jed n MET 265 Cb 0.01 -5.73 0.00 0.00 -0.71 0.00 0.00 33.22 26.79 1jed n MET 265 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1jed n SER 266 N -2.84 7.00 0.00 7.83 2.88 -1.20 -4.32 113.62 122.96 1jed n SER 266 Ca -0.01 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 1jed n SER 266 Cb 0.56 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1jed n SER 266 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jed n GLY 267 N 0.10 0.11 0.19 0.46 0.00 -0.82 -0.41 105.19 104.82 1jed n GLY 267 Ca 0.50 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 1jed n GLY 267 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jed h ASP 268 N 0.00 0.33 -0.78 1.61 3.04 -1.87 -0.91 116.42 117.84 1jed h ASP 268 Ca 0.00 0.03 0.02 0.00 -3.24 0.00 0.00 57.03 53.84 1jed h ASP 268 Cb 0.00 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 38.21 1jed h ASP 268 CO 0.00 0.23 0.51 0.03 -2.04 0.00 0.00 179.24 177.97 1jed h ARG 269 N 0.45 0.98 -0.75 4.15 3.08 -1.61 -2.16 114.38 118.53 1jed h ARG 269 Ca 0.20 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1jed h ARG 269 Cb 0.11 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1jed h ARG 269 CO -0.14 0.65 0.36 1.49 -1.07 0.00 0.00 179.97 181.26 1jed h GLU 270 N 1.01 1.07 -0.13 0.04 4.81 -0.19 -2.16 114.58 119.03 1jed h GLU 270 Ca 0.30 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jed h GLU 270 Cb -0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1jed h GLU 270 CO -0.09 0.82 0.08 0.00 -0.73 0.00 0.00 179.01 179.09 1jed h ALA 271 N 1.34 0.16 -0.82 2.92 0.00 -0.55 0.25 119.26 122.56 1jed h ALA 271 Ca 0.26 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1jed h ALA 271 Cb 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jed h ALA 271 CO -0.03 -0.35 0.46 0.28 0.00 0.00 0.00 179.25 179.60 1jed h VAL 272 N 0.17 0.89 -0.32 0.00 2.07 -1.09 -0.95 116.25 117.01 1jed h VAL 272 Ca 0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1jed h VAL 272 Cb -0.01 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1jed h VAL 272 CO -0.02 0.14 0.10 -0.25 0.02 0.00 0.00 177.57 177.57 1jed h TRP 273 N 0.77 0.52 -0.98 1.57 7.01 -0.82 -2.37 115.95 121.64 1jed h TRP 273 Ca 0.40 -0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.41 1jed h TRP 273 Cb 0.39 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1jed h TRP 273 CO -0.07 0.52 0.64 0.45 -2.79 0.00 0.00 178.44 177.19 1jed h HIS 274 N 0.37 1.18 -0.55 2.65 3.86 0.50 0.35 115.15 123.51 1jed h HIS 274 Ca 0.10 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1jed h HIS 274 Cb 0.24 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1jed h HIS 274 CO 0.01 0.64 0.09 0.00 0.86 0.00 0.00 177.93 179.52 1jed h ALA 275 N 1.45 0.73 -0.34 2.45 0.00 -1.02 0.21 119.26 122.75 1jed h ALA 275 Ca 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jed h ALA 275 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jed h ALA 275 CO -0.15 0.48 0.14 0.82 0.00 0.00 0.00 179.25 180.54 1jed h ILE 276 N 0.81 1.18 0.07 0.00 2.04 -0.81 -0.86 117.51 119.94 1jed h ILE 276 Ca 0.17 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jed h ILE 276 Cb 0.41 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1jed h ILE 276 CO 0.01 0.20 -0.03 0.40 0.00 0.00 0.00 178.15 178.72 1jed h ILE 277 N 0.41 0.98 -0.54 -0.67 2.04 -0.67 -1.66 117.51 117.39 1jed h ILE 277 Ca 0.11 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jed h ILE 277 Cb 0.17 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1jed h ILE 277 CO -0.01 0.04 0.36 0.03 0.00 0.00 0.00 178.15 178.57 1jed h ARG 278 N -0.16 0.65 -0.47 2.37 -0.00 -0.48 -1.20 114.38 115.08 1jed h ARG 278 Ca -0.01 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 1jed h ARG 278 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 29.94 1jed h ARG 278 CO 0.02 0.43 0.15 -0.22 0.00 0.00 0.00 179.97 180.35 1jed h LYS 279 N 0.67 0.72 -0.91 0.04 3.64 -0.80 -1.28 116.57 118.64 1jed h LYS 279 Ca 0.21 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1jed h LYS 279 Cb 0.02 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 1jed h LYS 279 CO -0.05 0.68 0.60 -0.91 -2.27 0.00 0.00 179.45 177.50 1jed h ASN 280 N 0.62 1.00 0.43 4.20 2.35 -0.32 -0.66 115.58 123.20 1jed h ASN 280 Ca 0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1jed h ASN 280 Cb 0.25 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1jed h ASN 280 CO -0.01 0.69 0.00 -1.22 -1.65 0.00 0.00 177.43 175.25 1jed n TYR 281 N -4.43 0.00 0.00 1.19 4.01 -0.56 -4.83 117.16 112.54 1jed n TYR 281 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1jed n TYR 281 Cb 0.09 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.78 1jed n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jed n GLY 282 N 0.36 1.12 3.82 2.72 0.00 -0.25 -4.04 105.19 108.92 1jed n GLY 282 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1jed n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jed s ALA 283 N -2.00 3.18 -0.08 4.61 0.00 -0.53 -4.68 121.76 122.26 1jed s ALA 283 Ca 0.00 0.28 0.19 0.00 0.00 0.00 0.00 51.96 52.43 1jed s ALA 283 Cb 0.00 -3.01 -0.28 0.00 0.00 0.00 0.00 23.12 19.83 1jed s ALA 283 CO 0.00 0.21 0.30 -1.13 0.00 0.00 0.00 175.76 175.15 1jed n SER 284 N -0.31 0.48 -4.11 0.00 3.41 -0.36 -4.13 113.62 108.60 1jed n SER 284 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1jed n SER 284 Cb 0.53 1.57 -0.11 0.00 -0.26 0.00 0.00 64.21 65.94 1jed n SER 284 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jed s HIS 285 N -3.05 0.85 -0.04 7.33 3.76 -0.44 -1.45 115.29 122.25 1jed s HIS 285 Ca -0.08 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1jed s HIS 285 Cb 0.10 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1jed s HIS 285 CO 0.80 -0.06 0.03 0.12 -0.85 0.00 0.00 174.74 174.78 1jed s PHE 286 N -1.85 0.24 0.19 1.40 5.36 0.12 -0.86 117.98 122.58 1jed s PHE 286 Ca -0.03 0.08 -0.30 0.00 -0.96 0.00 0.00 56.93 55.72 1jed s PHE 286 Cb -0.07 -0.47 -0.08 0.00 -0.34 0.00 0.00 43.02 42.07 1jed s PHE 286 CO -0.00 -0.17 1.00 0.42 -1.46 0.00 0.00 175.22 175.01 1jed s ILE 287 N 1.57 4.07 -0.29 3.12 1.01 -0.54 -1.14 121.20 129.00 1jed s ILE 287 Ca -0.02 1.90 -0.03 0.00 0.00 0.00 0.00 60.65 62.49 1jed s ILE 287 Cb -0.13 -4.21 0.10 0.00 0.01 0.00 0.00 42.46 38.23 1jed s ILE 287 CO -0.03 0.38 0.12 -0.69 0.00 0.00 0.00 174.94 174.72 1jed s VAL 288 N -0.63 0.16 0.00 2.92 1.01 -1.01 -4.69 120.40 118.16 1jed s VAL 288 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1jed s VAL 288 Cb -0.27 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1jed s VAL 288 CO 0.33 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1jed n GLY 289 N 5.15 1.31 3.73 4.51 0.00 -1.26 -2.51 105.19 116.12 1jed n GLY 289 Ca -0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1jed n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jed s ARG 290 N 1.67 4.17 -1.55 1.61 3.52 -1.24 -3.01 118.95 124.11 1jed s ARG 290 Ca 0.00 2.48 -0.11 0.00 -0.13 0.00 0.00 55.73 57.98 1jed s ARG 290 Cb 0.00 -3.10 0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1jed s ARG 290 CO 0.00 -0.64 0.70 -3.47 -0.81 0.00 0.00 175.30 171.08 1jed n ASP 291 N 3.43 -2.49 -4.64 -2.12 4.64 0.11 -4.85 116.55 110.64 1jed n ASP 291 Ca 0.13 -0.96 -0.47 0.00 -1.38 0.00 0.00 54.79 52.10 1jed n ASP 291 Cb 0.37 -3.13 -0.04 0.00 -1.04 0.00 0.00 41.12 37.28 1jed n ASP 291 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 1jed n HIS 292 N -4.45 1.93 -1.35 -0.67 -0.00 -1.16 -1.64 115.22 107.88 1jed n HIS 292 Ca -0.08 0.46 -0.12 0.00 -0.00 0.00 0.00 57.72 57.97 1jed n HIS 292 Cb 0.57 -2.43 -0.05 0.00 -0.00 0.00 0.00 29.99 28.07 1jed n HIS 292 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jed n ALA 293 N 2.53 -0.19 -2.22 1.57 0.00 -1.26 -4.33 120.51 116.62 1jed n ALA 293 Ca 0.16 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.46 1jed n ALA 293 Cb 0.27 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 1jed n ALA 293 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jed s GLY 294 N -2.05 2.40 -0.17 0.00 0.00 -0.65 -1.95 107.32 104.89 1jed s GLY 294 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.78 1jed s GLY 294 CO 0.00 0.21 1.33 -1.55 0.00 0.00 0.00 173.10 173.09 1jed n PRO 295 N 0.06 3.24 0.00 2.90 -0.04 -1.26 -4.97 135.00 134.94 1jed n PRO 295 Ca 0.00 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1jed n PRO 295 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1jed n PRO 295 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jed n GLY 296 N 0.26 0.44 3.65 0.55 0.00 -1.26 -4.87 105.19 103.97 1jed n GLY 296 Ca 0.20 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1jed n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jed s LYS 297 N 0.00 2.34 0.79 1.61 1.02 -1.26 -1.96 119.74 122.27 1jed s LYS 297 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 1jed s LYS 297 Cb 0.00 -2.28 0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1jed s LYS 297 CO 0.00 0.42 1.15 0.54 -0.92 0.00 0.00 175.35 176.54 1jed s ASN 298 N -3.17 4.64 0.49 2.83 6.03 -0.46 -4.84 114.94 120.45 1jed s ASN 298 Ca 0.28 0.77 0.30 0.00 -1.03 0.00 0.00 52.86 53.18 1jed s ASN 298 Cb -0.08 -1.32 1.38 0.00 -3.03 0.00 0.00 41.25 38.20 1jed s ASN 298 CO 0.19 -1.81 1.79 0.77 -2.03 0.00 0.00 177.10 176.01 1jed h SER 299 N -0.96 0.17 0.16 3.54 4.64 -1.98 0.73 113.55 119.85 1jed h SER 299 Ca -0.46 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1jed h SER 299 Cb 1.32 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1jed h SER 299 CO 0.65 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.93 1jed n LYS 300 N -4.36 0.46 -0.85 4.77 5.02 -1.26 -4.87 118.16 117.07 1jed n LYS 300 Ca 0.25 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1jed n LYS 300 Cb 1.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1jed n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jed n GLY 301 N 0.28 0.68 3.86 0.72 0.00 0.25 -5.05 105.19 105.94 1jed n GLY 301 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1jed n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jed s VAL 302 N -2.54 5.07 0.23 1.61 0.11 -1.25 -4.81 120.40 118.82 1jed s VAL 302 Ca 0.00 0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 1jed s VAL 302 Cb 0.00 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 31.09 1jed s VAL 302 CO 0.00 0.35 1.37 -1.81 -3.33 0.00 0.00 175.10 171.68 1jed s ASP 303 N -1.62 6.77 0.14 3.54 -0.00 -1.26 -1.36 116.67 122.88 1jed s ASP 303 Ca 0.31 2.55 -0.08 0.00 -0.00 0.00 0.00 52.55 55.33 1jed s ASP 303 Cb -0.14 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.11 1jed s ASP 303 CO 0.17 -0.61 1.40 -0.26 -0.00 0.00 0.00 175.17 175.87 1jed h PHE 304 N 5.07 0.92 -4.07 4.23 -1.00 -1.76 -3.46 116.94 116.88 1jed h PHE 304 Ca -0.46 -0.37 -0.16 0.00 2.81 0.00 0.00 57.97 59.80 1jed h PHE 304 Cb 1.22 -0.16 -0.19 0.00 3.61 0.00 0.00 35.95 40.43 1jed h PHE 304 CO 0.61 1.16 -0.69 0.71 -1.61 0.00 0.00 178.31 178.49 1jed s TYR 305 N -3.89 0.37 0.60 -0.55 1.51 -1.26 -5.04 117.35 109.09 1jed s TYR 305 Ca -0.09 -0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 55.07 1jed s TYR 305 Cb 0.10 -0.27 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1jed s TYR 305 CO 0.88 -0.25 1.13 0.20 -1.11 0.00 0.00 175.55 176.39 1jed s GLY 306 N -1.99 2.44 0.34 0.71 0.00 -1.26 -4.87 107.32 102.69 1jed s GLY 306 Ca -0.07 0.72 0.17 0.00 0.00 0.00 0.00 44.72 45.54 1jed s GLY 306 CO -0.04 1.08 1.47 -0.56 0.00 0.00 0.00 173.10 175.05 1jed h PRO 307 N 0.68 0.00 0.00 2.90 0.13 -1.98 -2.41 132.00 131.33 1jed h PRO 307 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jed h PRO 307 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1jed h PRO 307 CO 0.56 0.00 -0.36 0.66 -0.23 0.00 0.00 178.00 178.62 1jed n TYR 308 N -2.18 0.00 -0.33 1.56 4.02 -1.26 0.10 117.16 119.07 1jed n TYR 308 Ca -0.01 -0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 57.62 1jed n TYR 308 Cb 0.22 -0.07 0.09 0.00 -0.02 0.00 0.00 39.34 39.55 1jed n TYR 308 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1jed h ASP 309 N 0.00 1.03 -0.36 7.72 3.45 -1.79 -1.76 116.42 124.71 1jed h ASP 309 Ca 0.00 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1jed h ASP 309 Cb 1.28 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 1jed h ASP 309 CO 0.00 0.76 0.18 0.00 -1.57 0.00 0.00 179.24 178.61 1jed h ALA 310 N 1.31 0.47 -0.50 3.45 0.00 -1.88 -0.84 119.26 121.27 1jed h ALA 310 Ca 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jed h ALA 310 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1jed h ALA 310 CO -0.07 0.02 0.30 1.96 0.00 0.00 0.00 179.25 181.47 1jed h GLN 311 N 0.45 0.59 -0.65 0.00 4.20 -1.79 -0.87 115.11 117.05 1jed h GLN 311 Ca 0.12 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1jed h GLN 311 Cb 0.11 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1jed h GLN 311 CO -0.02 0.39 0.18 0.93 -0.67 0.00 0.00 178.83 179.65 1jed h GLU 312 N 0.61 1.02 -0.32 1.46 5.08 -0.98 -0.36 114.58 121.09 1jed h GLU 312 Ca 0.20 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1jed h GLU 312 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1jed h GLU 312 CO -0.08 0.90 0.00 1.25 -1.00 0.00 0.00 179.01 180.08 1jed h LEU 313 N 0.94 0.56 -1.07 1.33 6.46 -0.93 -1.53 115.31 121.06 1jed h LEU 313 Ca 0.21 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1jed h LEU 313 Cb 0.32 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1jed h LEU 313 CO -0.00 0.72 0.63 0.58 -0.62 0.00 0.00 178.44 179.75 1jed h VAL 314 N 0.37 1.22 -0.39 1.05 2.07 -1.01 -2.11 116.25 117.44 1jed h VAL 314 Ca 0.09 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1jed h VAL 314 Cb 0.44 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1jed h VAL 314 CO 0.02 0.23 -0.09 -0.08 0.02 0.00 0.00 177.57 177.67 1jed h GLU 315 N 1.26 0.68 0.00 1.57 4.57 -0.73 -1.58 114.58 120.35 1jed h GLU 315 Ca 0.36 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 1jed h GLU 315 Cb -0.09 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1jed h GLU 315 CO -0.09 0.76 -0.19 0.66 -1.18 0.00 0.00 179.01 178.97 1jed h SER 316 N 0.63 0.00 -0.55 1.04 4.64 -0.64 -2.56 113.55 116.11 1jed h SER 316 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1jed h SER 316 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1jed h SER 316 CO 0.03 0.19 0.00 -1.22 -0.87 0.00 0.00 176.83 174.96 1jed n TYR 317 N -3.32 0.72 -0.38 4.77 0.53 -0.92 -4.74 117.16 113.82 1jed n TYR 317 Ca 0.00 -0.37 -0.08 0.00 -1.02 0.00 0.00 57.90 56.43 1jed n TYR 317 Cb 0.43 -0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.67 1jed n TYR 317 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1jed n LYS 318 N 1.55 -0.37 0.00 -0.72 4.81 -0.64 -0.88 118.16 121.92 1jed n LYS 318 Ca 0.22 1.38 0.10 0.00 -0.87 0.00 0.00 58.31 59.14 1jed n LYS 318 Cb 0.61 -2.04 0.55 0.00 0.02 0.00 0.00 35.03 34.18 1jed n LYS 318 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jed n HIS 319 N -5.18 0.00 -0.10 5.64 8.25 -1.26 -3.10 115.22 119.47 1jed n HIS 319 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 1jed n HIS 319 Cb 0.26 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 1jed n HIS 319 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1jed n GLU 320 N -1.13 0.71 -0.10 -0.41 2.13 -0.05 -4.56 120.64 117.23 1jed n GLU 320 Ca 0.13 0.09 0.13 0.00 0.66 0.00 0.00 57.16 58.17 1jed n GLU 320 Cb 0.11 -1.44 0.51 0.00 0.27 0.00 0.00 31.44 30.89 1jed n GLU 320 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1jed h LEU 321 N 0.00 0.35 1.88 4.31 3.38 -1.20 -3.46 115.31 120.57 1jed h LEU 321 Ca -0.49 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.08 1jed h LEU 321 Cb 1.84 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 42.43 1jed h LEU 321 CO -0.05 0.20 -0.45 -0.67 0.09 0.00 0.00 178.44 177.57 1jed n ASP 322 N -4.47 -5.62 -3.77 -0.43 2.03 -1.25 -4.91 116.55 98.13 1jed n ASP 322 Ca 0.11 0.26 -0.13 0.00 0.52 0.00 0.00 54.79 55.55 1jed n ASP 322 Cb 0.42 -4.78 -0.13 0.00 -0.72 0.00 0.00 41.12 35.90 1jed n ASP 322 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1jed s ILE 323 N -2.88 -0.03 0.06 5.18 2.07 -1.26 -4.76 121.20 119.58 1jed s ILE 323 Ca 0.00 0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 59.04 1jed s ILE 323 Cb 0.00 -0.27 -0.06 0.00 0.13 0.00 0.00 42.46 42.26 1jed s ILE 323 CO 0.00 0.04 1.25 -0.70 -1.91 0.00 0.00 174.94 173.63 1jed s GLU 324 N 0.80 4.39 -0.20 3.50 2.56 -0.53 -4.87 118.70 124.35 1jed s GLU 324 Ca -0.06 1.84 -0.10 0.00 0.00 0.00 0.00 54.97 56.65 1jed s GLU 324 Cb -0.08 -3.36 -0.05 0.00 2.00 0.00 0.00 34.13 32.64 1jed s GLU 324 CO -0.04 -0.34 0.12 0.08 -0.56 0.00 0.00 175.26 174.52 1jed s VAL 325 N 1.28 5.33 -0.66 3.70 1.01 -1.26 0.15 120.40 129.95 1jed s VAL 325 Ca 0.60 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.64 1jed s VAL 325 Cb -0.31 -3.43 0.17 0.00 0.00 0.00 0.00 36.38 32.81 1jed s VAL 325 CO 0.29 0.43 0.55 -0.69 0.00 0.00 0.00 175.10 175.68 1jed s VAL 326 N 0.42 4.72 0.45 2.92 1.01 -0.29 -4.92 120.40 124.71 1jed s VAL 326 Ca 0.07 -2.35 -0.21 0.00 0.00 0.00 0.00 61.98 59.49 1jed s VAL 326 Cb -0.11 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1jed s VAL 326 CO -0.01 -0.91 1.01 -2.16 0.00 0.00 0.00 175.10 173.02 1jed s PRO 327 N 0.52 4.03 0.01 2.72 0.04 -1.26 -2.40 135.00 138.65 1jed s PRO 327 Ca 0.13 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1jed s PRO 327 Cb -0.19 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1jed s PRO 327 CO -0.04 -0.23 -0.05 -0.06 0.04 0.00 0.00 177.00 176.66 1jed s PHE 328 N -1.99 0.47 0.38 0.56 0.08 -1.05 -4.94 117.98 111.50 1jed s PHE 328 Ca 0.64 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1jed s PHE 328 Cb -0.15 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.98 1jed s PHE 328 CO 0.19 -0.04 0.59 0.50 -0.10 0.00 0.00 175.22 176.36 1jed s ARG 329 N -0.65 3.37 -0.47 0.44 6.06 -1.26 -3.71 118.95 122.73 1jed s ARG 329 Ca -0.03 -0.36 -0.42 0.00 -2.50 0.00 0.00 55.73 52.42 1jed s ARG 329 Cb -0.05 -2.62 -0.18 0.00 0.06 0.00 0.00 34.95 32.16 1jed s ARG 329 CO -0.00 0.02 1.95 -0.12 -2.50 0.00 0.00 175.30 174.65 1jed n MET 330 N -1.89 0.00 -2.90 5.12 0.00 -1.26 -4.32 117.12 111.87 1jed n MET 330 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.25 1jed n MET 330 Cb 0.57 -1.42 -0.05 0.00 0.00 0.00 0.00 33.22 32.32 1jed n MET 330 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1jed s VAL 331 N 5.27 4.69 0.46 1.12 1.01 -1.26 0.44 120.40 132.13 1jed s VAL 331 Ca 1.11 1.01 0.04 0.00 0.00 0.00 0.00 61.98 64.14 1jed s VAL 331 Cb -1.42 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 30.67 1jed s VAL 331 CO 0.65 -0.46 0.01 0.28 0.00 0.00 0.00 175.10 175.58 1jed s THR 332 N 3.22 1.56 -0.02 3.92 -1.32 -0.52 -4.89 115.64 117.57 1jed s THR 332 Ca 0.34 -1.99 -0.11 0.00 -1.21 0.00 0.00 61.69 58.71 1jed s THR 332 Cb -0.13 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.26 1jed s THR 332 CO 0.17 0.00 0.32 -0.47 -2.21 0.00 0.00 174.62 172.43 1jed s TYR 333 N -2.80 3.66 -0.37 9.09 5.04 -1.09 -1.93 117.35 128.95 1jed s TYR 333 Ca 0.19 0.80 0.03 0.00 -2.44 0.00 0.00 57.07 55.65 1jed s TYR 333 Cb 0.05 -2.14 0.11 0.00 0.35 0.00 0.00 41.96 40.33 1jed s TYR 333 CO 0.10 0.65 0.10 -0.51 -1.34 0.00 0.00 175.55 174.56 1jed s LEU 334 N -1.24 4.82 0.11 6.97 1.43 0.22 -0.79 118.68 130.20 1jed s LEU 334 Ca 0.23 -2.23 -0.30 0.00 -1.03 0.00 0.00 54.13 50.80 1jed s LEU 334 Cb -0.15 -1.67 -0.11 0.00 0.03 0.00 0.00 46.19 44.29 1jed s LEU 334 CO 0.12 -0.39 1.49 -0.65 0.23 0.00 0.00 176.35 177.14 1jed h PRO 335 N 7.57 -0.45 -0.18 1.29 0.11 -1.85 0.55 132.00 139.05 1jed h PRO 335 Ca -0.06 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.12 1jed h PRO 335 Cb 1.01 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1jed h PRO 335 CO 0.57 -0.30 0.12 -0.44 -0.21 0.00 0.00 178.00 177.75 1jed h ASP 336 N -0.46 0.04 -0.02 -2.05 3.45 -1.96 -1.30 116.42 114.12 1jed h ASP 336 Ca 0.04 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1jed h ASP 336 Cb 0.58 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1jed h ASP 336 CO -0.44 0.03 -0.25 -0.62 -1.57 0.00 0.00 179.24 176.40 1jed n GLU 337 N -4.49 1.58 -3.71 3.56 1.02 -1.07 -5.01 120.64 112.52 1jed n GLU 337 Ca 0.01 -1.14 -0.23 0.00 -0.02 0.00 0.00 57.16 55.78 1jed n GLU 337 Cb 0.23 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1jed n GLU 337 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1jed n ASP 338 N 0.32 -5.20 -3.59 1.62 4.64 0.19 -4.97 116.55 109.56 1jed n ASP 338 Ca 0.09 -0.87 -0.05 0.00 -1.38 0.00 0.00 54.79 52.58 1jed n ASP 338 Cb 0.41 -2.18 -0.02 0.00 -1.04 0.00 0.00 41.12 38.30 1jed n ASP 338 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jed s ARG 339 N -4.85 0.63 0.26 -0.67 1.70 -1.06 -5.01 118.95 109.95 1jed s ARG 339 Ca 0.04 -0.27 0.06 0.00 -0.47 0.00 0.00 55.73 55.09 1jed s ARG 339 Cb -0.02 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 1jed s ARG 339 CO 0.88 -0.28 0.28 0.71 -1.08 0.00 0.00 175.30 175.81 1jed s TYR 340 N -2.80 3.23 -0.19 5.89 1.51 -1.26 -0.61 117.35 123.11 1jed s TYR 340 Ca 0.09 -0.10 -0.32 0.00 -1.01 0.00 0.00 57.07 55.74 1jed s TYR 340 Cb -0.00 -1.53 0.15 0.00 -0.11 0.00 0.00 41.96 40.47 1jed s TYR 340 CO -0.05 0.43 1.17 0.00 -1.11 0.00 0.00 175.55 175.99 1jed s ALA 341 N -2.09 -2.03 0.26 3.71 0.00 -0.81 -4.97 121.76 115.84 1jed s ALA 341 Ca 0.35 1.63 -0.30 0.00 0.00 0.00 0.00 51.96 53.64 1jed s ALA 341 Cb -0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 1jed s ALA 341 CO 0.27 -0.42 1.46 -2.14 0.00 0.00 0.00 175.76 174.93 1jed s PRO 342 N -1.72 4.24 0.48 0.00 0.02 -1.26 -1.45 135.00 135.32 1jed s PRO 342 Ca 0.06 2.35 0.18 0.00 0.02 0.00 0.00 61.00 63.61 1jed s PRO 342 Cb -0.01 -3.09 1.20 0.00 0.02 0.00 0.00 34.50 32.62 1jed s PRO 342 CO -0.04 -0.45 2.01 0.97 -0.33 0.00 0.00 177.00 179.16 1jed h ILE 343 N 3.50 0.85 0.00 2.83 6.09 -0.20 -0.07 117.51 130.51 1jed h ILE 343 Ca -0.46 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1jed h ILE 343 Cb 1.22 0.65 0.00 0.00 0.47 0.00 0.00 36.82 39.15 1jed h ILE 343 CO 0.78 0.03 0.00 -0.90 -3.07 0.00 0.00 178.15 174.99 1jed n ASP 344 N -4.45 0.00 -0.38 2.19 5.75 -1.26 -2.51 116.55 115.90 1jed n ASP 344 Ca 0.08 0.01 0.08 0.00 -0.01 0.00 0.00 54.79 54.95 1jed n ASP 344 Cb 0.41 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1jed n ASP 344 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jed n GLN 345 N -1.28 1.66 -4.35 0.11 6.02 -0.04 -4.98 117.38 114.52 1jed n GLN 345 Ca 0.09 -0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 55.97 1jed n GLN 345 Cb 0.14 -1.28 -0.10 0.00 1.02 0.00 0.00 30.24 30.02 1jed n GLN 345 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1jed s ILE 346 N -1.87 2.86 -0.68 5.09 -4.36 -1.04 -5.02 121.20 116.17 1jed s ILE 346 Ca 0.14 -1.88 -0.19 0.00 -0.26 0.00 0.00 60.65 58.45 1jed s ILE 346 Cb 0.13 -2.42 0.11 0.00 1.25 0.00 0.00 42.46 41.53 1jed s ILE 346 CO 0.40 -0.16 0.83 -0.62 0.24 0.00 0.00 174.94 175.62 1jed s ASP 347 N -2.91 6.29 0.00 4.36 3.68 -1.26 -4.86 116.67 121.97 1jed s ASP 347 Ca 0.25 -1.53 0.00 0.00 2.13 0.00 0.00 52.55 53.40 1jed s ASP 347 Cb -0.08 -2.33 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 1jed s ASP 347 CO 0.14 -1.14 0.04 0.35 0.13 0.00 0.00 175.17 174.69 1jed n THR 348 N 5.50 0.00 -0.09 1.71 -2.24 -1.26 -1.62 114.28 116.28 1jed n THR 348 Ca -0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 1jed n THR 348 Cb 0.44 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1jed n THR 348 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jed n THR 349 N -0.43 1.21 -0.29 4.28 -1.04 -1.26 -4.63 114.28 112.12 1jed n THR 349 Ca 0.00 -0.18 0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1jed n THR 349 Cb 0.00 -1.87 0.31 0.00 -1.82 0.00 0.00 70.33 66.96 1jed n THR 349 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1jed n LYS 350 N -4.00 3.23 -3.80 -2.82 2.85 -0.74 -4.89 118.16 107.99 1jed n LYS 350 Ca -0.35 -2.50 -0.13 0.00 -1.05 0.00 0.00 58.31 54.29 1jed n LYS 350 Cb 0.70 -1.76 -0.13 0.00 -0.65 0.00 0.00 35.03 33.20 1jed n LYS 350 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1jed s THR 351 N -1.66 -0.01 -0.01 0.58 -4.23 -0.64 -5.01 115.64 104.66 1jed s THR 351 Ca 0.45 0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.83 1jed s THR 351 Cb 0.28 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.82 1jed s THR 351 CO 0.24 0.02 0.47 -0.60 -0.54 0.00 0.00 174.62 174.21 1jed s ARG 352 N 0.35 4.10 0.22 3.99 3.52 -1.26 -4.52 118.95 125.35 1jed s ARG 352 Ca -0.02 0.52 0.11 0.00 -0.13 0.00 0.00 55.73 56.21 1jed s ARG 352 Cb -0.03 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1jed s ARG 352 CO -0.01 0.55 -0.21 0.95 -0.81 0.00 0.00 175.30 175.76 1jed s THR 353 N -0.68 2.47 0.01 4.11 -4.23 -1.26 -3.99 115.64 112.06 1jed s THR 353 Ca 0.26 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1jed s THR 353 Cb -0.17 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1jed s THR 353 CO 0.14 -0.21 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.20 1jed s LEU 354 N -2.95 2.11 -0.20 4.79 1.43 0.03 -4.96 118.68 118.93 1jed s LEU 354 Ca 0.24 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 1jed s LEU 354 Cb -0.07 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 46.01 1jed s LEU 354 CO 0.12 -0.05 0.43 0.21 0.23 0.00 0.00 176.35 177.29 1jed s ASN 355 N -0.72 -0.36 -0.42 2.29 3.84 -1.26 -2.68 114.94 115.63 1jed s ASN 355 Ca -0.03 0.99 -0.16 0.00 0.21 0.00 0.00 52.86 53.87 1jed s ASN 355 Cb -0.05 1.22 0.02 0.00 -0.55 0.00 0.00 41.25 41.89 1jed s ASN 355 CO 0.00 -0.22 0.38 -0.63 -2.79 0.00 0.00 177.10 173.84 1jed s ILE 356 N 2.27 5.16 0.87 -5.21 1.01 -1.26 -5.07 121.20 118.97 1jed s ILE 356 Ca -0.04 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1jed s ILE 356 Cb -0.11 -4.00 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1jed s ILE 356 CO -0.13 -0.39 1.15 -0.94 0.00 0.00 0.00 174.94 174.63 1jed s SER 357 N 1.80 3.91 0.14 3.58 1.04 -1.26 -4.78 113.70 118.13 1jed s SER 357 Ca 0.09 0.90 -0.18 0.00 0.48 0.00 0.00 55.95 57.23 1jed s SER 357 Cb -0.18 -1.45 -0.00 0.00 0.10 0.00 0.00 66.02 64.49 1jed s SER 357 CO 0.12 -2.29 1.74 1.23 0.98 0.00 0.00 173.24 175.01 1jed h GLY 358 N -1.32 0.29 0.04 7.32 0.00 -1.98 0.11 103.07 107.53 1jed h GLY 358 Ca -0.49 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 46.88 1jed h GLY 358 CO 0.63 -0.00 -0.34 -0.84 0.00 0.00 0.00 176.54 175.99 1jed h THR 359 N 0.15 0.24 -0.63 4.70 2.02 -1.99 0.63 112.91 118.04 1jed h THR 359 Ca 0.12 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 1jed h THR 359 Cb 0.11 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 66.68 1jed h THR 359 CO -0.15 0.00 0.19 -0.08 0.37 0.00 0.00 175.52 175.85 1jed h GLU 360 N -0.38 0.32 -0.01 6.66 4.57 -1.75 -0.06 114.58 123.94 1jed h GLU 360 Ca 0.11 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1jed h GLU 360 Cb 0.56 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1jed h GLU 360 CO -0.41 0.21 0.00 1.25 -1.18 0.00 0.00 179.01 178.89 1jed h LEU 361 N 0.33 0.02 -0.72 1.64 5.85 0.68 -1.33 115.31 121.79 1jed h LEU 361 Ca 0.33 -0.22 0.16 0.00 0.84 0.00 0.00 57.88 58.98 1jed h LEU 361 Cb 0.47 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.38 1jed h LEU 361 CO -0.37 0.24 0.09 0.08 -0.34 0.00 0.00 178.44 178.13 1jed h ARG 362 N -0.20 0.18 0.04 1.25 0.11 0.88 -1.17 114.38 115.47 1jed h ARG 362 Ca 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1jed h ARG 362 Cb 0.23 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 1jed h ARG 362 CO 0.00 0.12 -0.09 -0.09 0.10 0.00 0.00 179.97 180.01 1jed h ARG 363 N 0.18 -0.16 -0.46 0.08 2.43 -0.64 -2.11 114.38 113.70 1jed h ARG 363 Ca 0.40 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1jed h ARG 363 Cb 0.68 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1jed h ARG 363 CO -0.56 -0.11 0.22 0.00 -1.51 0.00 0.00 179.97 178.01 1jed h ARG 364 N -0.17 0.43 -0.48 0.20 3.08 -0.12 -1.33 114.38 115.99 1jed h ARG 364 Ca 0.02 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1jed h ARG 364 Cb 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1jed h ARG 364 CO -0.06 0.29 0.32 -0.07 -1.07 0.00 0.00 179.97 179.37 1jed h LEU 365 N 0.44 0.39 0.00 3.04 3.38 -1.12 0.31 115.31 121.76 1jed h LEU 365 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jed h LEU 365 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jed h LEU 365 CO -0.15 0.26 -0.23 -0.09 0.09 0.00 0.00 178.44 178.32 1jed h ARG 366 N 0.45 0.00 -0.01 1.13 2.43 -0.57 -3.12 114.38 114.69 1jed h ARG 366 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1jed h ARG 366 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1jed h ARG 366 CO -0.05 0.00 -0.40 1.33 -1.51 0.00 0.00 179.97 179.33 1jed n VAL 367 N -2.64 0.00 -1.00 0.20 0.24 -0.70 -1.06 118.33 113.37 1jed n VAL 367 Ca 0.04 -0.30 -0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1jed n VAL 367 Cb 0.49 1.09 -0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1jed n VAL 367 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jed n GLY 368 N 1.14 0.41 3.77 7.63 0.00 0.78 -4.81 105.19 114.10 1jed n GLY 368 Ca 0.04 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1jed n GLY 368 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jed s GLY 369 N -2.76 1.96 0.40 -0.02 0.00 0.63 -4.99 107.32 102.54 1jed s GLY 369 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.93 1jed s GLY 369 CO 0.00 0.80 1.03 -0.54 0.00 0.00 0.00 173.10 174.39 1jed s GLU 370 N -4.42 4.18 -0.20 2.90 8.01 -1.26 -4.62 118.70 123.28 1jed s GLU 370 Ca 0.65 1.46 -0.01 0.00 0.01 0.00 0.00 54.97 57.07 1jed s GLU 370 Cb -0.19 -2.50 0.01 0.00 -4.31 0.00 0.00 34.13 27.13 1jed s GLU 370 CO 0.48 -0.12 -0.12 0.42 0.01 0.00 0.00 175.26 175.93 1jed s ILE 371 N -1.72 2.73 0.14 -1.63 1.09 -1.26 -5.02 121.20 115.54 1jed s ILE 371 Ca 0.58 -0.74 -0.32 0.00 -1.10 0.00 0.00 60.65 59.07 1jed s ILE 371 Cb -0.20 -2.22 -0.18 0.00 -1.06 0.00 0.00 42.46 38.80 1jed s ILE 371 CO 0.26 0.46 0.79 -2.65 -0.10 0.00 0.00 174.94 173.69 1jed n PRO 372 N 4.71 0.20 -0.13 2.79 -0.02 -1.26 -4.84 135.00 136.44 1jed n PRO 372 Ca -0.19 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1jed n PRO 372 Cb 0.50 -1.31 0.48 0.00 -0.02 0.00 0.00 33.50 33.16 1jed n PRO 372 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jed h GLU 373 N 1.95 0.44 0.00 -0.52 4.39 -1.99 -0.32 114.58 118.54 1jed h GLU 373 Ca -0.38 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1jed h GLU 373 Cb 1.42 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1jed h GLU 373 CO 0.61 0.29 -0.04 0.11 -1.16 0.00 0.00 179.01 178.82 1jed h TRP 374 N 0.46 0.00 0.26 4.33 5.08 -2.03 -3.35 115.95 120.70 1jed h TRP 374 Ca 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 1jed h TRP 374 Cb 0.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 1jed h TRP 374 CO -0.00 0.04 -0.12 0.35 -1.28 0.00 0.00 178.44 177.43 1jed h PHE 375 N 0.00 -0.32 -4.27 0.12 3.57 -1.38 -3.44 116.94 111.21 1jed h PHE 375 Ca -0.00 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.19 1jed h PHE 375 Cb 0.76 0.11 -0.15 0.00 2.79 0.00 0.00 35.95 39.46 1jed h PHE 375 CO 0.00 -0.08 -0.61 0.45 -2.23 0.00 0.00 178.31 175.84 1jed s SER 376 N -5.21 0.70 0.26 0.41 0.15 -1.22 -1.72 113.70 107.07 1jed s SER 376 Ca -0.08 -1.42 -0.30 0.00 0.70 0.00 0.00 55.95 54.85 1jed s SER 376 Cb 0.00 0.32 -0.09 0.00 -1.71 0.00 0.00 66.02 64.54 1jed s SER 376 CO 0.27 -0.82 1.01 -0.31 1.20 0.00 0.00 173.24 174.59 1jed s TYR 377 N -3.94 3.79 0.28 3.44 1.51 -1.26 -4.69 117.35 116.47 1jed s TYR 377 Ca 0.38 1.81 0.02 0.00 -1.01 0.00 0.00 57.07 58.27 1jed s TYR 377 Cb 0.07 -3.11 0.61 0.00 -0.11 0.00 0.00 41.96 39.41 1jed s TYR 377 CO 0.14 -0.01 1.77 -1.00 -1.11 0.00 0.00 175.55 175.34 1jed h PRO 378 N 3.94 0.67 -0.53 -1.71 0.13 -1.95 -1.27 132.00 131.29 1jed h PRO 378 Ca -0.46 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1jed h PRO 378 Cb 1.21 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1jed h PRO 378 CO 0.67 0.44 0.17 0.93 -0.23 0.00 0.00 178.00 179.99 1jed h GLU 379 N 0.69 0.78 0.21 0.86 3.07 -1.99 -0.70 114.58 117.49 1jed h GLU 379 Ca 0.51 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1jed h GLU 379 Cb 0.74 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1jed h GLU 379 CO -0.37 0.67 -0.10 0.28 -1.40 0.00 0.00 179.01 178.09 1jed h VAL 380 N 0.76 0.86 -0.72 3.13 2.07 -1.63 -2.08 116.25 118.64 1jed h VAL 380 Ca 0.18 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1jed h VAL 380 Cb 0.21 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1jed h VAL 380 CO -0.01 0.08 0.47 0.58 0.02 0.00 0.00 177.57 178.71 1jed h VAL 381 N -0.45 1.03 -0.28 2.57 2.07 -1.05 -0.81 116.25 119.33 1jed h VAL 381 Ca -0.03 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1jed h VAL 381 Cb 0.34 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jed h VAL 381 CO 0.05 0.14 0.12 0.50 0.02 0.00 0.00 177.57 178.39 1jed h LYS 382 N 0.77 0.41 -0.80 1.57 3.64 -0.93 0.35 116.57 121.58 1jed h LYS 382 Ca 0.31 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1jed h LYS 382 Cb 0.23 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1jed h LYS 382 CO -0.10 0.43 0.38 0.82 -2.27 0.00 0.00 179.45 178.71 1jed h ILE 383 N 0.30 1.25 -0.18 2.00 2.04 -0.66 0.04 117.51 122.30 1jed h ILE 383 Ca 0.09 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1jed h ILE 383 Cb 0.17 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1jed h ILE 383 CO -0.01 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.37 1jed h LEU 384 N 1.14 0.31 -1.16 1.44 3.38 -0.76 -2.77 115.31 116.89 1jed h LEU 384 Ca 0.28 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1jed h LEU 384 Cb 0.12 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1jed h LEU 384 CO -0.03 0.54 0.57 0.03 0.09 0.00 0.00 178.44 179.64 1jed h ARG 385 N 0.08 1.09 -0.66 1.13 3.08 -0.65 0.42 114.38 118.86 1jed h ARG 385 Ca 0.05 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.12 1jed h ARG 385 Cb 0.38 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1jed h ARG 385 CO 0.01 0.72 0.32 0.93 -1.07 0.00 0.00 179.97 180.87 1jed h GLU 386 N 1.12 0.54 -0.21 0.04 5.08 -0.71 -2.20 114.58 118.23 1jed h GLU 386 Ca 0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1jed h GLU 386 Cb -0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1jed h GLU 386 CO -0.09 0.36 0.00 -1.13 -1.00 0.00 0.00 179.01 177.15 1jed n SER 387 N -4.89 3.02 -3.16 1.42 3.41 -0.93 -4.45 113.62 108.05 1jed n SER 387 Ca 0.10 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.59 1jed n SER 387 Cb 0.25 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1jed n SER 387 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jed n ASN 388 N 1.23 0.09 -4.74 4.04 3.02 0.09 -5.06 115.26 113.93 1jed n ASN 388 Ca 0.15 -2.81 -0.36 0.00 -0.03 0.00 0.00 54.58 51.53 1jed n ASN 388 Cb 0.53 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1jed n ASN 388 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jed s PRO 389 N -1.30 2.72 0.75 3.52 0.04 -0.85 -4.46 135.00 135.42 1jed s PRO 389 Ca 0.36 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 1jed s PRO 389 Cb 0.21 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.91 1jed s PRO 389 CO -0.11 -1.43 1.09 -1.25 0.04 0.00 0.00 177.00 175.34 1jed s PRO 390 N -3.42 2.39 0.26 0.56 0.04 -1.18 -4.64 135.00 129.02 1jed s PRO 390 Ca 0.79 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1jed s PRO 390 Cb -0.33 -1.91 0.48 0.00 0.04 0.00 0.00 34.50 32.78 1jed s PRO 390 CO 0.37 -1.54 1.61 0.00 0.04 0.00 0.00 177.00 177.48 1jed h ARG 391 N -0.98 0.05 0.00 4.56 2.47 -1.33 0.31 114.38 119.46 1jed h ARG 391 Ca -0.44 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1jed h ARG 391 Cb 1.23 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1jed h ARG 391 CO 0.52 0.03 0.07 -0.35 0.56 0.00 0.00 179.97 180.80 1jed n PRO 392 N -5.44 0.00 -0.00 0.04 -0.04 -0.08 -0.33 135.00 129.14 1jed n PRO 392 Ca 0.15 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 64.00 1jed n PRO 392 Cb 0.52 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1jed n PRO 392 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jed n LYS 393 N -1.34 4.09 -1.69 0.54 4.76 0.11 -4.92 118.16 119.71 1jed n LYS 393 Ca 0.00 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1jed n LYS 393 Cb 0.07 -0.88 0.04 0.00 -1.84 0.00 0.00 35.03 32.42 1jed n LYS 393 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1jed s GLN 394 N -1.78 2.95 0.42 1.97 -0.21 0.55 -4.66 119.66 118.90 1jed s GLN 394 Ca 0.02 1.10 0.05 0.00 0.02 0.00 0.00 55.36 56.54 1jed s GLN 394 Cb 0.05 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 32.08 1jed s GLN 394 CO 0.30 -1.10 0.60 0.20 -2.12 0.00 0.00 175.29 173.17 1jed s GLY 395 N -3.32 1.73 0.29 3.09 0.00 -1.20 -4.74 107.32 103.16 1jed s GLY 395 Ca 0.61 -1.41 -0.20 0.00 0.00 0.00 0.00 44.72 43.73 1jed s GLY 395 CO 0.48 -1.24 0.85 -0.11 0.00 0.00 0.00 173.10 173.08 1jed s PHE 396 N -2.41 -0.00 -0.08 1.90 -0.12 -0.27 -4.84 117.98 112.15 1jed s PHE 396 Ca 0.51 -0.51 -0.06 0.00 -0.05 0.00 0.00 56.93 56.82 1jed s PHE 396 Cb -0.10 0.75 0.03 0.00 -0.63 0.00 0.00 43.02 43.07 1jed s PHE 396 CO 0.34 -1.26 0.20 0.45 -0.05 0.00 0.00 175.22 174.91 1jed s SER 397 N -3.08 -0.20 -0.18 1.98 0.15 0.28 -1.05 113.70 111.60 1jed s SER 397 Ca 0.15 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.18 1jed s SER 397 Cb -0.04 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1jed s SER 397 CO 0.08 -0.11 -0.05 -0.63 1.20 0.00 0.00 173.24 173.73 1jed s ILE 398 N 0.63 3.59 -0.21 6.45 -1.09 0.02 -0.32 121.20 130.26 1jed s ILE 398 Ca -0.04 -0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1jed s ILE 398 Cb -0.06 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1jed s ILE 398 CO -0.03 0.47 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.42 1jed s VAL 399 N 0.81 3.55 -0.64 2.92 1.01 0.66 -0.52 120.40 128.18 1jed s VAL 399 Ca -0.02 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1jed s VAL 399 Cb -0.15 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1jed s VAL 399 CO 0.02 0.42 1.63 -0.76 0.00 0.00 0.00 175.10 176.41 1jed s LEU 400 N 1.31 3.26 0.95 3.92 1.43 0.05 -0.82 118.68 128.77 1jed s LEU 400 Ca 0.04 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1jed s LEU 400 Cb -0.14 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1jed s LEU 400 CO -0.01 -2.14 -0.06 0.61 0.23 0.00 0.00 176.35 174.99 1jed n GLY 401 N 5.55 -3.02 0.19 -3.19 0.00 0.16 -3.82 105.19 101.06 1jed n GLY 401 Ca 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.43 1jed n GLY 401 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jed h ASN 402 N -1.27 0.08 0.34 1.61 2.35 -1.93 -2.77 115.58 113.99 1jed h ASN 402 Ca -0.44 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1jed h ASN 402 Cb 1.29 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 1jed h ASN 402 CO 0.30 0.48 -0.23 0.77 -1.65 0.00 0.00 177.43 177.10 1jed h SER 403 N 0.07 0.00 -1.30 5.81 4.64 -1.91 -3.44 113.55 117.41 1jed h SER 403 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1jed h SER 403 Cb 0.74 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.91 1jed h SER 403 CO 0.06 0.23 -0.10 0.18 -0.87 0.00 0.00 176.83 176.33 1jed n LEU 404 N -3.99 0.02 -0.00 5.97 7.99 -1.05 -4.74 117.00 121.20 1jed n LEU 404 Ca -0.02 1.14 0.01 0.00 -0.01 0.00 0.00 56.01 57.13 1jed n LEU 404 Cb 0.31 -1.02 -0.01 0.00 -0.11 0.00 0.00 43.42 42.58 1jed n LEU 404 CO 0.35 -2.12 -0.00 1.07 -1.51 0.00 0.00 177.39 175.18 1jed n THR 405 N 0.91 0.00 -1.87 -5.08 5.66 -0.48 -5.04 114.28 108.38 1jed n THR 405 Ca 0.18 -0.46 -0.29 0.00 -3.05 0.00 0.00 64.05 60.43 1jed n THR 405 Cb 0.19 1.00 0.12 0.00 -1.55 0.00 0.00 70.33 70.09 1jed n THR 405 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1jed s VAL 406 N -1.16 2.00 -0.01 1.08 -7.23 -1.20 -4.91 120.40 108.97 1jed s VAL 406 Ca 0.01 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1jed s VAL 406 Cb 0.01 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 1jed s VAL 406 CO 0.07 0.00 1.64 -0.55 -0.31 0.00 0.00 175.10 175.96 1jed s SER 407 N -4.61 6.66 0.15 4.85 0.15 -1.26 -4.86 113.70 114.77 1jed s SER 407 Ca 0.65 2.31 -0.11 0.00 0.70 0.00 0.00 55.95 59.51 1jed s SER 407 Cb -0.09 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1jed s SER 407 CO 0.50 -0.90 1.49 0.03 1.20 0.00 0.00 173.24 175.56 1jed h ARG 408 N 9.09 0.95 0.37 5.44 3.08 -1.92 -1.13 114.38 130.26 1jed h ARG 408 Ca -0.41 -0.49 -0.02 0.00 0.07 0.00 0.00 59.98 59.14 1jed h ARG 408 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1jed h ARG 408 CO 0.94 1.15 -0.19 0.93 -1.07 0.00 0.00 179.97 181.73 1jed h GLU 409 N 0.79 -0.50 -0.56 0.04 5.08 -1.93 -0.72 114.58 116.77 1jed h GLU 409 Ca 0.07 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1jed h GLU 409 Cb 0.95 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1jed h GLU 409 CO 0.09 -0.33 0.23 1.96 -1.00 0.00 0.00 179.01 179.96 1jed h GLN 410 N -0.52 0.80 -0.21 2.33 1.08 -1.95 -1.43 115.11 115.20 1jed h GLN 410 Ca -0.05 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 56.90 1jed h GLN 410 Cb 0.41 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1jed h GLN 410 CO 0.07 0.65 -0.44 1.25 -0.95 0.00 0.00 178.83 179.41 1jed h LEU 411 N 0.80 0.57 0.06 1.46 5.85 -1.04 -1.18 115.31 121.83 1jed h LEU 411 Ca 0.19 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1jed h LEU 411 Cb 0.15 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jed h LEU 411 CO -0.02 0.94 -0.03 0.28 -0.34 0.00 0.00 178.44 179.27 1jed h SER 412 N 0.43 -0.07 -0.71 1.25 0.02 -0.64 -0.88 113.55 112.94 1jed h SER 412 Ca 0.03 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1jed h SER 412 Cb 0.95 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 1jed h SER 412 CO 0.08 0.14 0.47 0.40 -1.14 0.00 0.00 176.83 176.78 1jed h ILE 413 N -0.28 1.19 -0.43 3.27 2.04 -1.21 0.12 117.51 122.19 1jed h ILE 413 Ca -0.01 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jed h ILE 413 Cb 0.25 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1jed h ILE 413 CO 0.01 0.18 0.24 0.00 0.00 0.00 0.00 178.15 178.58 1jed h ALA 414 N 1.26 0.54 -0.55 1.87 0.00 -1.09 0.25 119.26 121.54 1jed h ALA 414 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1jed h ALA 414 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jed h ALA 414 CO -0.06 -0.10 -0.05 -0.07 0.00 0.00 0.00 179.25 178.97 1jed h LEU 415 N 0.47 0.97 0.82 0.00 3.38 -0.73 -1.07 115.31 119.16 1jed h LEU 415 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1jed h LEU 415 Cb 0.05 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1jed h LEU 415 CO -0.10 1.05 -0.40 0.25 0.09 0.00 0.00 178.44 179.33 1jed h LEU 416 N 0.89 -0.94 -1.47 1.67 5.85 -0.03 -1.27 115.31 120.02 1jed h LEU 416 Ca 0.15 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1jed h LEU 416 Cb 0.59 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1jed h LEU 416 CO 0.04 -0.64 0.56 0.28 -0.34 0.00 0.00 178.44 178.34 1jed h SER 417 N -1.16 0.47 0.04 1.25 0.02 -0.53 -1.00 113.55 112.64 1jed h SER 417 Ca -0.11 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1jed h SER 417 Cb 0.85 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1jed h SER 417 CO 0.19 0.22 -0.02 0.74 -1.14 0.00 0.00 176.83 176.81 1jed h THR 418 N 0.48 1.24 -0.99 -2.27 2.02 -1.03 -2.92 112.91 109.44 1jed h THR 418 Ca 0.44 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1jed h THR 418 Cb 0.96 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 69.16 1jed h THR 418 CO -0.17 0.23 0.65 -0.26 0.37 0.00 0.00 175.52 176.34 1jed h PHE 419 N -0.47 1.21 -0.98 3.16 0.04 -0.63 -2.57 116.94 116.71 1jed h PHE 419 Ca -0.01 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.89 1jed h PHE 419 Cb 0.43 -0.40 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 1jed h PHE 419 CO 0.06 0.69 0.63 -0.07 -0.60 0.00 0.00 178.31 179.02 1jed h LEU 420 N 1.24 0.94 -1.66 1.54 3.38 -1.11 -2.12 115.31 117.52 1jed h LEU 420 Ca 0.40 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1jed h LEU 420 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1jed h LEU 420 CO -0.13 0.54 -0.12 0.06 0.09 0.00 0.00 178.44 178.88 1jed h GLN 421 N 1.03 0.00 -0.46 1.13 3.07 -1.27 -2.80 115.11 115.81 1jed h GLN 421 Ca 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.13 1jed h GLN 421 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.91 1jed h GLN 421 CO -0.22 0.12 -0.00 0.74 0.09 0.00 0.00 178.83 179.56 1jed h PHE 422 N 0.00 0.80 -1.33 0.06 0.05 -1.44 -3.49 116.94 111.60 1jed h PHE 422 Ca -0.00 -0.11 0.00 0.00 3.82 0.00 0.00 57.97 61.68 1jed h PHE 422 Cb 0.48 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.20 1jed h PHE 422 CO 0.00 0.75 0.00 0.41 -0.18 0.00 0.00 178.31 179.29 1jed n GLY 423 N -0.67 -1.30 0.00 -1.45 0.00 -1.06 -4.99 105.19 95.72 1jed n GLY 423 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1jed n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 424 N 0.00 0.71 0.00 -0.02 0.00 -1.26 -4.70 105.19 99.92 1jed n GLY 424 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jed n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jed n GLY 425 N -1.15 0.57 3.80 -0.02 0.00 -1.26 -5.09 105.19 102.06 1jed n GLY 425 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jed n GLY 425 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jed s ARG 426 N -0.94 4.31 -0.15 1.61 3.52 -1.26 -5.05 118.95 120.99 1jed s ARG 426 Ca 0.00 1.22 -0.08 0.00 -0.13 0.00 0.00 55.73 56.75 1jed s ARG 426 Cb 0.00 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1jed s ARG 426 CO 0.00 0.03 0.12 -0.47 -0.81 0.00 0.00 175.30 174.17 1jed s TYR 427 N -1.96 3.48 0.14 5.12 6.14 -1.26 -4.95 117.35 124.05 1jed s TYR 427 Ca 0.58 0.40 0.11 0.00 0.64 0.00 0.00 57.07 58.81 1jed s TYR 427 Cb -0.13 -2.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.19 1jed s TYR 427 CO 0.18 0.52 -0.26 0.71 0.64 0.00 0.00 175.55 177.34 1jed s TYR 428 N -0.43 2.33 -0.22 4.97 1.51 -1.26 -0.05 117.35 124.20 1jed s TYR 428 Ca 0.12 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.58 1jed s TYR 428 Cb -0.12 -1.25 0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1jed s TYR 428 CO 0.02 0.37 0.65 0.21 -1.11 0.00 0.00 175.55 175.68 1jed s LYS 429 N -2.16 0.79 -0.31 -0.62 2.20 -0.66 -4.96 119.74 114.02 1jed s LYS 429 Ca 0.15 0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 56.33 1jed s LYS 429 Cb -0.10 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1jed s LYS 429 CO 0.07 -0.12 0.84 0.42 -0.36 0.00 0.00 175.35 176.20 1jed s ILE 430 N 0.14 4.74 -0.37 5.43 -1.09 -1.26 0.12 121.20 128.91 1jed s ILE 430 Ca -0.01 1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.59 1jed s ILE 430 Cb -0.04 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.71 1jed s ILE 430 CO 0.02 -0.31 0.16 0.12 -1.23 0.00 0.00 174.94 173.70 1jed s PHE 431 N 3.09 3.35 -0.25 3.97 5.36 0.09 -4.90 117.98 128.68 1jed s PHE 431 Ca 0.34 -1.72 -0.18 0.00 -0.96 0.00 0.00 56.93 54.41 1jed s PHE 431 Cb -0.14 -2.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.87 1jed s PHE 431 CO 0.13 -0.83 0.51 -1.21 -1.46 0.00 0.00 175.22 172.37 1jed s GLU 432 N 1.33 4.09 0.01 10.12 2.02 -1.26 -4.36 118.70 130.65 1jed s GLU 432 Ca 0.01 0.34 0.20 0.00 0.02 0.00 0.00 54.97 55.54 1jed s GLU 432 Cb -0.21 -3.64 -0.21 0.00 0.10 0.00 0.00 34.13 30.17 1jed s GLU 432 CO 0.01 -0.32 0.60 -2.39 0.02 0.00 0.00 175.26 173.18 1jed n HIS 433 N 5.42 0.44 -3.54 1.61 1.44 -1.26 -4.96 115.22 114.37 1jed n HIS 433 Ca -0.04 0.14 -0.25 0.00 -2.01 0.00 0.00 57.72 55.55 1jed n HIS 433 Cb 0.50 -0.83 -0.01 0.00 0.12 0.00 0.00 29.99 29.77 1jed n HIS 433 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1jed n ASN 434 N -2.58 -3.39 0.00 4.39 4.13 -1.26 -0.47 115.26 116.08 1jed n ASN 434 Ca -0.10 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1jed n ASN 434 Cb 0.74 -2.81 0.00 0.00 -1.54 0.00 0.00 39.78 36.16 1jed n ASN 434 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jed n ASN 435 N -2.32 -4.52 -4.64 6.41 5.15 -1.26 -4.92 115.26 109.16 1jed n ASN 435 Ca 0.01 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.56 1jed n ASN 435 Cb 0.52 -3.15 -0.02 0.00 -0.53 0.00 0.00 39.78 36.60 1jed n ASN 435 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jed s LYS 436 N -1.71 4.09 0.52 1.20 1.02 0.38 -4.91 119.74 120.35 1jed s LYS 436 Ca 0.00 1.07 0.19 0.00 0.02 0.00 0.00 55.97 57.25 1jed s LYS 436 Cb 0.00 -3.72 1.31 0.00 -0.52 0.00 0.00 37.83 34.90 1jed s LYS 436 CO 0.00 -0.82 2.11 1.79 -0.92 0.00 0.00 175.35 177.51 1jed h THR 437 N 5.66 0.92 0.00 2.17 1.35 -1.91 0.23 112.91 121.32 1jed h THR 437 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1jed h THR 437 Cb 1.06 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1jed h THR 437 CO 1.00 0.00 0.00 1.05 -0.25 0.00 0.00 175.52 177.32 1jed h GLU 438 N 0.00 0.00 0.01 4.72 4.11 -1.94 -0.42 114.58 121.05 1jed h GLU 438 Ca 0.07 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 59.09 1jed h GLU 438 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1jed h GLU 438 CO -0.00 0.00 -2.42 1.28 0.07 0.00 0.00 179.01 177.94 1jed n LEU 439 N -3.00 2.44 -0.24 3.06 4.77 0.67 -4.35 117.00 120.35 1jed n LEU 439 Ca -0.02 0.13 0.17 0.00 -0.03 0.00 0.00 56.01 56.26 1jed n LEU 439 Cb 0.11 -0.89 0.49 0.00 -2.33 0.00 0.00 43.42 40.79 1jed n LEU 439 CO 0.20 0.74 1.22 -0.07 -1.33 0.00 0.00 177.39 178.15 1jed h LEU 440 N -0.49 0.45 0.00 2.23 3.38 -0.87 0.27 115.31 120.28 1jed h LEU 440 Ca -0.61 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1jed h LEU 440 Cb 1.75 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1jed h LEU 440 CO -0.24 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 176.95 1jed n SER 441 N -4.52 0.00 -0.00 -0.43 3.41 -0.20 -2.59 113.62 109.29 1jed n SER 441 Ca 0.18 -0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.75 1jed n SER 441 Cb 0.63 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 1jed n SER 441 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jed n LEU 442 N -1.21 0.17 -0.27 1.04 4.77 0.95 -4.48 117.00 117.96 1jed n LEU 442 Ca 0.11 -0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1jed n LEU 442 Cb 0.13 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 1jed n LEU 442 CO 0.14 0.03 0.89 0.40 -1.33 0.00 0.00 177.39 177.52 1jed h ILE 443 N 0.00 0.38 0.00 -0.08 2.04 -1.48 0.98 117.51 119.35 1jed h ILE 443 Ca 0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1jed h ILE 443 Cb 0.93 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1jed h ILE 443 CO 0.00 0.03 -0.21 1.56 0.00 0.00 0.00 178.15 179.54 1jed h GLN 444 N 0.18 0.00 -0.52 2.37 1.08 -1.79 -2.26 115.11 114.17 1jed h GLN 444 Ca 0.46 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.58 1jed h GLN 444 Cb 0.85 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1jed h GLN 444 CO -0.62 0.21 -0.01 -0.44 -0.95 0.00 0.00 178.83 177.02 1jed h ASP 445 N 0.00 0.90 -0.24 1.46 3.45 -1.06 0.31 116.42 121.24 1jed h ASP 445 Ca -0.00 -0.31 -0.08 0.00 0.43 0.00 0.00 57.03 57.07 1jed h ASP 445 Cb 0.95 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.47 1jed h ASP 445 CO 0.03 0.99 -0.15 -0.26 -1.57 0.00 0.00 179.24 178.28 1jed h PHE 446 N 0.79 0.61 -0.77 4.55 -1.00 -1.29 -0.66 116.94 119.17 1jed h PHE 446 Ca 0.15 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1jed h PHE 446 Cb 0.54 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.92 1jed h PHE 446 CO 0.04 0.81 0.48 0.82 -1.61 0.00 0.00 178.31 178.85 1jed h ILE 447 N 0.23 1.21 0.00 -0.55 2.04 -1.29 -0.71 117.51 118.44 1jed h ILE 447 Ca 0.05 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1jed h ILE 447 Cb 0.67 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1jed h ILE 447 CO 0.04 0.21 -0.16 1.23 0.00 0.00 0.00 178.15 179.47 1jed h GLY 448 N 1.05 0.00 0.35 5.37 0.00 -0.19 -1.40 103.07 108.24 1jed h GLY 448 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1jed h GLY 448 CO -0.06 0.00 -0.03 1.44 0.00 0.00 0.00 176.54 177.89 1jed n SER 449 N -3.85 0.76 0.00 0.19 7.64 -0.27 -4.91 113.62 113.18 1jed n SER 449 Ca -0.02 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1jed n SER 449 Cb 0.26 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1jed n SER 449 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jed n GLY 450 N 1.15 0.73 3.84 0.23 0.00 -0.53 -4.98 105.19 105.62 1jed n GLY 450 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1jed n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jed s SER 451 N -2.67 6.60 -0.26 1.61 0.01 -0.46 -3.82 113.70 114.71 1jed s SER 451 Ca 0.00 1.60 -0.07 0.00 1.31 0.00 0.00 55.95 58.79 1jed s SER 451 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1jed s SER 451 CO 0.00 -0.60 0.07 -0.83 0.41 0.00 0.00 173.24 172.29 1jed s GLY 452 N -2.94 1.77 -0.12 3.44 0.00 0.92 -1.12 107.32 109.27 1jed s GLY 452 Ca 0.60 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 1jed s GLY 452 CO 0.29 0.57 -0.02 1.08 0.00 0.00 0.00 173.10 175.02 1jed s LEU 453 N 1.58 3.38 -0.35 0.66 1.43 -0.22 -1.65 118.68 123.50 1jed s LEU 453 Ca 0.05 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1jed s LEU 453 Cb -0.16 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1jed s LEU 453 CO 0.03 0.26 0.14 -0.63 0.23 0.00 0.00 176.35 176.39 1jed s ILE 454 N -0.20 4.06 -0.41 -0.59 1.01 0.12 -0.80 121.20 124.39 1jed s ILE 454 Ca 0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 1jed s ILE 454 Cb -0.13 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.10 1jed s ILE 454 CO 0.02 -0.21 0.28 -0.63 0.00 0.00 0.00 174.94 174.41 1jed s ILE 455 N 1.45 4.82 0.61 2.92 1.01 0.32 -0.73 121.20 131.60 1jed s ILE 455 Ca -0.00 -0.96 0.27 0.00 0.00 0.00 0.00 60.65 59.95 1jed s ILE 455 Cb -0.19 -3.78 0.36 0.00 0.01 0.00 0.00 42.46 38.85 1jed s ILE 455 CO 0.04 -0.38 1.69 1.55 0.00 0.00 0.00 174.94 177.84 1jed h PRO 456 N 8.55 0.00 -2.23 2.79 0.13 -1.85 0.17 132.00 139.56 1jed h PRO 456 Ca -0.26 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.02 1jed h PRO 456 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 1jed h PRO 456 CO 0.75 0.00 0.52 0.54 -0.23 0.00 0.00 178.00 179.58 1jed s ASN 457 N -4.51 -0.28 1.10 1.44 2.20 -1.26 -4.52 114.94 109.11 1jed s ASN 457 Ca -0.03 -0.13 -0.15 0.00 -0.94 0.00 0.00 52.86 51.61 1jed s ASN 457 Cb 0.14 0.40 0.24 0.00 -2.00 0.00 0.00 41.25 40.02 1jed s ASN 457 CO 0.47 -0.68 1.08 -1.10 -2.94 0.00 0.00 177.10 173.93 1jed s GLN 458 N -3.11 -0.42 0.16 3.55 -0.21 -1.25 -4.80 119.66 113.59 1jed s GLN 458 Ca 0.08 0.35 0.11 0.00 0.02 0.00 0.00 55.36 55.92 1jed s GLN 458 Cb -0.01 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.31 1jed s GLN 458 CO -0.05 -3.26 -0.25 1.67 -2.12 0.00 0.00 175.29 171.27 1jed s TRP 459 N -2.89 2.31 0.36 0.91 -2.14 -1.26 -4.87 118.94 111.36 1jed s TRP 459 Ca 0.67 -0.37 -0.25 0.00 2.66 0.00 0.00 56.10 58.82 1jed s TRP 459 Cb -0.17 -1.19 -0.13 0.00 -3.10 0.00 0.00 33.47 28.87 1jed s TRP 459 CO 0.58 0.42 0.67 -1.91 -2.66 0.00 0.00 176.95 174.06 1jed n GLU 460 N 0.58 0.71 0.04 3.25 4.07 -1.26 -4.81 120.64 123.22 1jed n GLU 460 Ca -0.15 0.25 0.02 0.00 -0.06 0.00 0.00 57.16 57.22 1jed n GLU 460 Cb 0.55 -1.54 0.38 0.00 -0.06 0.00 0.00 31.44 30.76 1jed n GLU 460 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1jed h ASP 461 N 1.15 0.40 0.09 4.31 5.19 -2.01 -1.74 116.42 123.81 1jed h ASP 461 Ca -0.39 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1jed h ASP 461 Cb 1.39 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1jed h ASP 461 CO 0.55 0.42 -0.02 -2.24 -3.12 0.00 0.00 179.24 174.83 1jed h ASP 462 N 0.43 0.00 0.25 6.45 3.04 -2.04 -1.59 116.42 122.96 1jed h ASP 462 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1jed h ASP 462 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1jed h ASP 462 CO -0.00 0.02 -0.83 0.29 -2.04 0.00 0.00 179.24 176.68 1jed n LYS 463 N -3.59 0.05 -0.34 4.15 4.76 -0.67 -4.50 118.16 118.01 1jed n LYS 463 Ca -0.03 -0.00 0.22 0.00 -2.87 0.00 0.00 58.31 55.63 1jed n LYS 463 Cb 0.11 -1.51 0.45 0.00 -1.84 0.00 0.00 35.03 32.24 1jed n LYS 463 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1jed h ASP 464 N 0.00 0.56 -0.90 4.39 3.58 -1.09 0.38 116.42 123.33 1jed h ASP 464 Ca 0.00 0.15 0.08 0.00 0.42 0.00 0.00 57.03 57.68 1jed h ASP 464 Cb 0.54 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 1jed h ASP 464 CO 0.00 -0.01 0.58 0.77 -2.88 0.00 0.00 179.24 177.70 1jed h SER 465 N 0.43 0.85 -0.21 2.28 4.64 -1.79 -2.27 113.55 117.48 1jed h SER 465 Ca 0.69 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 62.08 1jed h SER 465 Cb 1.52 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1jed h SER 465 CO -0.50 0.52 0.24 0.58 -0.87 0.00 0.00 176.83 176.80 1jed h VAL 466 N 0.95 0.43 -3.00 0.95 2.07 -1.24 -3.42 116.25 112.99 1jed h VAL 466 Ca 0.41 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 67.29 1jed h VAL 466 Cb 0.32 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1jed h VAL 466 CO -0.17 0.00 -0.49 -0.69 0.02 0.00 0.00 177.57 176.24 1jed s VAL 467 N -4.60 5.38 -0.43 2.57 1.01 -0.86 -4.37 120.40 119.10 1jed s VAL 467 Ca -0.05 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1jed s VAL 467 Cb 0.15 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1jed s VAL 467 CO 0.53 0.52 1.10 -0.83 0.00 0.00 0.00 175.10 176.43 1jed s GLY 468 N -0.28 1.38 0.66 4.51 0.00 -1.26 -4.92 107.32 107.41 1jed s GLY 468 Ca 0.11 -0.39 0.29 0.00 0.00 0.00 0.00 44.72 44.73 1jed s GLY 468 CO 0.01 2.34 1.90 0.07 0.00 0.00 0.00 173.10 177.41 1jed h LYS 469 N 8.90 0.00 -6.52 2.90 -0.00 -1.95 -3.45 116.57 116.45 1jed h LYS 469 Ca -0.22 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.87 1jed h LYS 469 Cb 1.06 0.00 0.05 0.00 -0.00 0.00 0.00 32.23 33.34 1jed h LYS 469 CO 1.09 0.00 0.95 0.94 -0.00 0.00 0.00 179.45 182.43 1jed n GLN 470 N -2.95 2.44 -2.23 0.07 7.27 -1.26 -2.26 117.38 118.47 1jed n GLN 470 Ca -0.01 0.88 -0.20 0.00 0.07 0.00 0.00 57.00 57.74 1jed n GLN 470 Cb 0.41 -2.71 -0.03 0.00 2.41 0.00 0.00 30.24 30.33 1jed n GLN 470 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jed n ASN 471 N 4.36 -5.73 -4.22 1.69 5.03 -1.26 -4.88 115.26 110.24 1jed n ASN 471 Ca 0.18 0.11 -0.38 0.00 0.87 0.00 0.00 54.58 55.35 1jed n ASN 471 Cb 0.32 -4.84 -0.12 0.00 -1.02 0.00 0.00 39.78 34.13 1jed n ASN 471 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1jed s VAL 472 N -2.96 3.69 -0.09 2.41 1.01 -0.96 -0.56 120.40 122.95 1jed s VAL 472 Ca 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 1jed s VAL 472 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1jed s VAL 472 CO 0.00 -0.39 0.02 -0.31 0.00 0.00 0.00 175.10 174.42 1jed s TYR 473 N 1.33 3.20 -0.26 5.22 1.51 0.56 -4.97 117.35 123.93 1jed s TYR 473 Ca 0.02 0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 56.20 1jed s TYR 473 Cb -0.21 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1jed s TYR 473 CO 0.00 0.50 0.16 -1.17 -1.11 0.00 0.00 175.55 173.93 1jed s LEU 474 N -0.92 3.96 -0.40 -1.29 1.98 -1.26 -0.25 118.68 120.49 1jed s LEU 474 Ca 0.14 -0.00 -0.16 0.00 -2.89 0.00 0.00 54.13 51.21 1jed s LEU 474 Cb -0.11 -2.08 0.01 0.00 0.66 0.00 0.00 46.19 44.67 1jed s LEU 474 CO 0.03 -0.01 0.38 -0.22 -1.89 0.00 0.00 176.35 174.63 1jed s LEU 475 N 1.52 4.86 0.17 -0.68 2.96 -0.00 -0.55 118.68 126.95 1jed s LEU 475 Ca 0.07 -0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 53.08 1jed s LEU 475 Cb -0.15 -2.30 0.06 0.00 0.50 0.00 0.00 46.19 44.29 1jed s LEU 475 CO 0.08 -0.49 0.85 -0.62 -1.32 0.00 0.00 176.35 174.85 1jed s ASP 476 N 1.76 -0.26 0.25 3.68 2.15 -0.84 0.37 116.67 123.78 1jed s ASP 476 Ca 0.10 -0.38 0.25 0.00 0.43 0.00 0.00 52.55 52.95 1jed s ASP 476 Cb -0.18 0.55 0.61 0.00 -0.30 0.00 0.00 42.92 43.61 1jed s ASP 476 CO 0.12 -1.00 1.65 0.71 -0.17 0.00 0.00 175.17 176.48 1jed h THR 477 N 2.00 0.00 -3.34 1.71 1.35 -1.87 0.25 112.91 113.01 1jed h THR 477 Ca -0.23 -0.61 -0.57 0.00 -0.55 0.00 0.00 66.41 64.45 1jed h THR 477 Cb 1.24 1.53 0.13 0.00 -1.73 0.00 0.00 68.15 69.32 1jed h THR 477 CO 0.26 0.00 0.34 -0.24 -0.25 0.00 0.00 175.52 175.63 1jed n SER 478 N -2.43 1.92 0.16 5.36 2.88 -1.26 -4.72 113.62 115.52 1jed n SER 478 Ca 0.05 1.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.69 1jed n SER 478 Cb 0.46 -1.43 0.46 0.00 -0.75 0.00 0.00 64.21 62.94 1jed n SER 478 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1jed h SER 479 N 1.76 0.15 -0.59 -3.46 4.64 -1.98 -2.45 113.55 111.62 1jed h SER 479 Ca -0.46 -0.02 -0.34 0.00 -0.47 0.00 0.00 61.79 60.49 1jed h SER 479 Cb 1.32 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 1jed h SER 479 CO 0.58 0.27 0.44 -1.54 -0.87 0.00 0.00 176.83 175.71 1jed n SER 480 N -4.34 4.78 -4.89 4.97 3.41 -1.26 -4.90 113.62 111.39 1jed n SER 480 Ca -0.01 -3.06 -0.33 0.00 -0.26 0.00 0.00 58.87 55.21 1jed n SER 480 Cb 0.22 -0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 63.28 1jed n SER 480 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jed s ALA 481 N -2.06 3.90 0.09 7.33 0.00 -0.92 -4.99 121.76 125.10 1jed s ALA 481 Ca 0.35 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 1jed s ALA 481 Cb 0.29 -1.81 -0.12 0.00 0.00 0.00 0.00 23.12 21.48 1jed s ALA 481 CO 0.04 0.76 1.36 -0.44 0.00 0.00 0.00 175.76 177.47 1jed h ASP 482 N 3.70 0.74 -3.67 0.00 3.32 -1.17 -3.37 116.42 115.98 1jed h ASP 482 Ca -0.48 -0.53 -0.68 0.00 0.02 0.00 0.00 57.03 55.36 1jed h ASP 482 Cb 1.18 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.16 1jed h ASP 482 CO 0.69 1.13 -0.67 -0.63 -1.72 0.00 0.00 179.24 178.04 1jed s ILE 483 N -4.13 2.75 -0.08 0.35 1.01 -0.46 -4.97 121.20 115.68 1jed s ILE 483 Ca -0.12 -1.95 -0.26 0.00 0.00 0.00 0.00 60.65 58.32 1jed s ILE 483 Cb 0.08 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1jed s ILE 483 CO 0.84 -0.44 0.82 -1.58 0.00 0.00 0.00 174.94 174.58 1jed s GLN 484 N 1.08 4.43 0.33 2.79 0.74 -1.26 -1.99 119.66 125.78 1jed s GLN 484 Ca 0.04 1.08 -0.13 0.00 0.05 0.00 0.00 55.36 56.40 1jed s GLN 484 Cb -0.20 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.34 1jed s GLN 484 CO -0.05 -0.09 0.72 -0.51 -0.55 0.00 0.00 175.29 174.80 1jed s LEU 485 N 1.29 4.01 0.05 3.68 1.43 0.90 -4.92 118.68 125.12 1jed s LEU 485 Ca 0.42 1.18 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 1jed s LEU 485 Cb -0.18 -4.00 -0.13 0.00 0.03 0.00 0.00 46.19 41.91 1jed s LEU 485 CO 0.19 -0.24 1.40 -0.08 0.23 0.00 0.00 176.35 177.85 1jed h GLU 486 N 2.00 0.34 -3.06 1.70 4.81 -1.94 -3.40 114.58 115.04 1jed h GLU 486 Ca -0.48 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 58.52 1jed h GLU 486 Cb 1.18 -0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1jed h GLU 486 CO 0.65 0.65 -0.16 -1.54 -0.73 0.00 0.00 179.01 177.89 1jed s SER 487 N -6.00 -0.24 0.57 1.04 1.04 -1.26 -5.02 113.70 103.83 1jed s SER 487 Ca -0.14 -0.01 0.27 0.00 0.48 0.00 0.00 55.95 56.55 1jed s SER 487 Cb 0.06 0.39 1.63 0.00 0.10 0.00 0.00 66.02 68.19 1jed s SER 487 CO 0.74 -0.61 2.14 0.00 0.98 0.00 0.00 173.24 176.49 1jed h ALA 488 N 3.21 1.81 -0.38 5.32 0.00 -1.89 -1.46 119.26 125.87 1jed h ALA 488 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jed h ALA 488 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jed h ALA 488 CO 0.43 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1jed n ASP 489 N -3.97 2.63 -4.57 0.00 5.68 -1.26 -1.38 116.55 113.68 1jed n ASP 489 Ca 0.00 -1.91 -0.51 0.00 -0.50 0.00 0.00 54.79 51.87 1jed n ASP 489 Cb 0.24 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 1jed n ASP 489 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1jed n GLU 490 N 0.94 0.99 -1.74 0.11 2.13 -0.55 -4.85 120.64 117.68 1jed n GLU 490 Ca 0.18 0.36 -0.41 0.00 0.66 0.00 0.00 57.16 57.94 1jed n GLU 490 Cb 0.45 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1jed n GLU 490 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jed n PRO 491 N 2.03 2.35 -0.19 5.31 -0.04 -1.26 -4.77 135.00 138.43 1jed n PRO 491 Ca 0.17 0.83 -0.07 0.00 -0.04 0.00 0.00 63.50 64.39 1jed n PRO 491 Cb 0.20 -2.51 -0.01 0.00 -0.04 0.00 0.00 33.50 31.15 1jed n PRO 491 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jed h ILE 492 N 2.64 0.15 -0.98 0.52 2.04 -2.00 -0.71 117.51 119.17 1jed h ILE 492 Ca -0.49 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.55 1jed h ILE 492 Cb 1.27 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 1jed h ILE 492 CO 0.63 0.00 0.61 0.77 0.00 0.00 0.00 178.15 180.16 1jed h SER 493 N -0.21 0.73 -0.30 1.72 4.64 -1.99 0.29 113.55 118.44 1jed h SER 493 Ca 0.20 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1jed h SER 493 Cb 0.56 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1jed h SER 493 CO -0.66 0.30 0.09 0.45 -0.87 0.00 0.00 176.83 176.15 1jed h HIS 494 N 0.74 0.49 -0.32 4.77 3.86 -1.51 -1.94 115.15 121.23 1jed h HIS 494 Ca 0.53 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 1jed h HIS 494 Cb 0.86 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1jed h HIS 494 CO -0.00 0.51 0.17 0.82 0.86 0.00 0.00 177.93 180.29 1jed h ILE 495 N 0.33 1.14 -0.81 2.45 2.04 -0.27 -2.13 117.51 120.26 1jed h ILE 495 Ca 0.10 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.69 1jed h ILE 495 Cb 0.26 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1jed h ILE 495 CO -0.00 0.14 0.46 0.58 0.00 0.00 0.00 178.15 179.32 1jed h VAL 496 N 0.40 0.91 -0.40 1.67 2.07 -0.32 0.00 116.25 120.57 1jed h VAL 496 Ca 0.11 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1jed h VAL 496 Cb 0.07 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1jed h VAL 496 CO -0.02 0.14 0.02 -0.61 0.02 0.00 0.00 177.57 177.12 1jed h GLN 497 N 0.77 0.70 -0.41 1.57 4.15 -1.11 0.44 115.11 121.22 1jed h GLN 497 Ca 0.39 -0.21 0.06 0.00 0.77 0.00 0.00 58.65 59.65 1jed h GLN 497 Cb 0.35 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1jed h GLN 497 CO -0.25 0.78 0.13 0.87 -1.93 0.00 0.00 178.83 178.43 1jed h LYS 498 N 0.53 0.27 -0.29 1.69 1.57 -0.65 -0.33 116.57 119.36 1jed h LYS 498 Ca 0.12 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1jed h LYS 498 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1jed h LYS 498 CO 0.02 0.18 0.03 0.28 -0.57 0.00 0.00 179.45 179.39 1jed h VAL 499 N 0.28 1.24 0.13 0.50 2.07 -0.77 -1.58 116.25 118.12 1jed h VAL 499 Ca 0.19 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1jed h VAL 499 Cb 0.20 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1jed h VAL 499 CO -0.22 0.27 -0.20 0.58 0.02 0.00 0.00 177.57 178.02 1jed h VAL 500 N 0.30 0.55 -0.27 2.57 2.07 -0.58 -1.12 116.25 119.76 1jed h VAL 500 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1jed h VAL 500 Cb 0.36 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1jed h VAL 500 CO 0.01 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.58 1jed h LEU 501 N -0.40 0.35 0.03 2.57 3.38 -1.06 0.41 115.31 120.59 1jed h LEU 501 Ca 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jed h LEU 501 Cb 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jed h LEU 501 CO -0.10 0.37 -0.01 0.15 0.09 0.00 0.00 178.44 178.94 1jed h PHE 502 N 0.38 -0.04 -0.24 1.13 3.57 -0.84 0.87 116.94 121.77 1jed h PHE 502 Ca 0.09 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1jed h PHE 502 Cb 0.17 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1jed h PHE 502 CO 0.00 0.13 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.07 1jed h LEU 503 N -0.20 0.37 -0.27 0.59 3.38 -0.72 -1.65 115.31 116.81 1jed h LEU 503 Ca -0.00 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1jed h LEU 503 Cb 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jed h LEU 503 CO 0.01 0.49 -0.85 -0.08 0.09 0.00 0.00 178.44 178.10 1jed h GLU 504 N 0.37 0.41 0.00 1.13 4.81 -0.77 -0.45 114.58 120.08 1jed h GLU 504 Ca 0.08 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1jed h GLU 504 Cb 0.38 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1jed h GLU 504 CO 0.02 1.05 -0.14 0.22 -0.73 0.00 0.00 179.01 179.43 1jed h ASP 505 N 0.25 0.00 -0.60 1.04 -0.00 -0.33 -2.71 116.42 114.07 1jed h ASP 505 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.90 1jed h ASP 505 Cb 1.46 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.75 1jed h ASP 505 CO 0.15 0.14 0.09 0.59 -0.00 0.00 0.00 179.24 180.20 1jed n ASN 506 N -3.39 5.26 0.00 2.28 4.13 -0.67 -4.95 115.26 117.93 1jed n ASN 506 Ca -0.01 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.20 1jed n ASN 506 Cb 0.33 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 1jed n ASN 506 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jed n GLY 507 N 0.24 1.14 0.20 7.41 0.00 -1.02 -4.86 105.19 108.30 1jed n GLY 507 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 1jed n GLY 507 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1jed h PHE 508 N 0.00 0.33 -4.17 1.61 -1.00 -1.27 -0.18 116.94 112.25 1jed h PHE 508 Ca 0.00 -0.08 -0.69 0.00 2.81 0.00 0.00 57.97 60.00 1jed h PHE 508 Cb 0.00 -0.07 -0.30 0.00 3.61 0.00 0.00 35.95 39.19 1jed h PHE 508 CO 0.00 0.63 -0.86 -0.06 -1.61 0.00 0.00 178.31 176.41 1jed s PHE 509 N -4.21 2.46 -0.06 -0.55 0.08 -1.16 -4.38 117.98 110.16 1jed s PHE 509 Ca -0.05 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1jed s PHE 509 Cb 0.13 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1jed s PHE 509 CO 0.78 -0.11 0.03 0.08 -0.10 0.00 0.00 175.22 175.90 1jed s VAL 510 N -0.36 0.15 -1.63 -0.44 1.01 -1.26 -4.54 120.40 113.33 1jed s VAL 510 Ca 0.02 0.23 0.13 0.00 0.00 0.00 0.00 61.98 62.37 1jed s VAL 510 Cb -0.12 -0.38 0.10 0.00 0.00 0.00 0.00 36.38 35.98 1jed s VAL 510 CO 0.02 0.20 0.91 0.49 0.00 0.00 0.00 175.10 176.72