#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajb s PRO 2 N 0.00 4.47 -0.01 -0.78 0.02 -1.26 -4.99 135.00 132.45 1ajb s PRO 2 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.55 1ajb s PRO 2 Cb 0.00 -3.47 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1ajb s PRO 2 CO 0.00 -0.21 0.00 -1.21 -0.33 0.00 0.00 177.00 175.25 1ajb s GLU 3 N 1.40 0.09 -0.07 5.54 0.41 -1.26 -5.13 118.70 119.68 1ajb s GLU 3 Ca 0.53 0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.83 1ajb s GLU 3 Cb -0.23 -0.19 -0.02 0.00 -1.78 0.00 0.00 34.13 31.92 1ajb s GLU 3 CO 0.25 -0.05 1.00 -1.64 -0.49 0.00 0.00 175.26 174.34 1ajb s MET 4 N 0.40 4.46 0.32 1.61 -1.94 -1.26 -4.96 119.30 117.92 1ajb s MET 4 Ca -0.03 1.41 -0.27 0.00 -1.71 0.00 0.00 55.69 55.08 1ajb s MET 4 Cb -0.05 -3.52 -0.09 0.00 2.01 0.00 0.00 34.83 33.17 1ajb s MET 4 CO -0.01 -0.24 0.99 -1.25 -0.01 0.00 0.00 175.02 174.50 1ajb s PRO 5 N 1.72 4.55 0.36 2.03 0.04 -1.26 -5.01 135.00 137.43 1ajb s PRO 5 Ca 0.50 1.48 0.07 0.00 0.04 0.00 0.00 61.00 63.09 1ajb s PRO 5 Cb -0.19 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.44 1ajb s PRO 5 CO 0.21 0.22 0.46 0.14 0.04 0.00 0.00 177.00 178.07 1ajb s VAL 6 N -1.46 3.60 -0.58 -0.36 -7.23 -1.26 -4.79 120.40 108.32 1ajb s VAL 6 Ca 0.49 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.30 1ajb s VAL 6 Cb -0.23 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.50 1ajb s VAL 6 CO 0.29 -0.11 1.31 -0.76 -0.31 0.00 0.00 175.10 175.53 1ajb s LEU 7 N -4.19 3.41 0.25 1.32 1.02 0.14 -4.87 118.68 115.76 1ajb s LEU 7 Ca 0.47 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.83 1ajb s LEU 7 Cb -0.09 -3.07 0.31 0.00 0.02 0.00 0.00 46.19 43.36 1ajb s LEU 7 CO 0.31 -1.62 1.60 -0.33 0.02 0.00 0.00 176.35 176.33 1ajb h GLU 8 N 10.36 0.27 -1.10 1.70 4.39 -1.96 -3.43 114.58 124.82 1ajb h GLU 8 Ca -0.26 -0.16 0.13 0.00 0.34 0.00 0.00 59.36 59.40 1ajb h GLU 8 Cb 1.07 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.53 1ajb h GLU 8 CO 1.19 0.74 -0.08 1.21 -1.16 0.00 0.00 179.01 180.90 1ajb s ASN 9 N -6.89 -1.03 -0.26 1.42 3.84 -1.26 -4.99 114.94 105.77 1ajb s ASN 9 Ca -0.04 0.91 0.14 0.00 0.21 0.00 0.00 52.86 54.07 1ajb s ASN 9 Cb 0.12 1.97 0.47 0.00 -0.55 0.00 0.00 41.25 43.27 1ajb s ASN 9 CO 0.79 -0.19 1.16 0.54 -2.79 0.00 0.00 177.10 176.61 1ajb n ARG 10 N 5.37 2.67 -2.07 0.43 1.74 -1.26 -4.92 116.66 118.62 1ajb n ARG 10 Ca -0.06 -3.79 -0.31 0.00 -0.77 0.00 0.00 57.85 52.93 1ajb n ARG 10 Cb 0.51 -1.90 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1ajb n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ajb s ALA 11 N -3.49 3.12 0.04 7.54 0.00 -1.26 -4.74 121.76 122.97 1ajb s ALA 11 Ca 0.41 -0.07 -0.37 0.00 0.00 0.00 0.00 51.96 51.93 1ajb s ALA 11 Cb 0.38 -3.04 -0.16 0.00 0.00 0.00 0.00 23.12 20.30 1ajb s ALA 11 CO -0.00 -0.55 1.46 0.00 0.00 0.00 0.00 175.76 176.66 1ajb n ALA 12 N -2.43 -0.43 0.83 0.00 0.00 0.03 -4.42 120.51 114.09 1ajb n ALA 12 Ca 0.06 0.48 0.13 0.00 0.00 0.00 0.00 53.44 54.11 1ajb n ALA 12 Cb 0.54 -2.16 0.53 0.00 0.00 0.00 0.00 19.45 18.36 1ajb n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ajb n GLN 13 N 3.22 0.09 0.00 0.00 1.13 0.82 -4.94 117.38 117.70 1ajb n GLN 13 Ca 0.19 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1ajb n GLN 13 Cb 0.20 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.94 1ajb n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ajb n GLY 14 N 1.29 4.22 3.57 1.08 0.00 0.14 -5.04 105.19 110.45 1ajb n GLY 14 Ca 0.06 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1ajb n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajb s ASP 15 N 1.66 6.43 0.63 1.61 2.15 -1.25 -4.75 116.67 123.16 1ajb s ASP 15 Ca 0.00 0.15 0.30 0.00 0.43 0.00 0.00 52.55 53.42 1ajb s ASP 15 Cb 0.00 -2.33 1.60 0.00 -0.30 0.00 0.00 42.92 41.88 1ajb s ASP 15 CO 0.00 -0.61 1.94 0.40 -0.17 0.00 0.00 175.17 176.72 1ajb h ILE 16 N 5.69 0.16 -0.01 4.11 5.03 -1.97 0.83 117.51 131.35 1ajb h ILE 16 Ca -0.26 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1ajb h ILE 16 Cb 1.11 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.57 1ajb h ILE 16 CO 0.84 0.00 -0.44 0.35 -0.68 0.00 0.00 178.15 178.22 1ajb n THR 17 N -3.24 0.00 -4.09 -0.27 -2.24 -1.26 -4.59 114.28 98.60 1ajb n THR 17 Ca 0.01 -0.11 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1ajb n THR 17 Cb 0.46 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 1ajb n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajb s ALA 18 N -2.68 3.58 -0.33 6.98 0.00 0.29 -5.03 121.76 124.57 1ajb s ALA 18 Ca 0.18 -1.25 -0.40 0.00 0.00 0.00 0.00 51.96 50.49 1ajb s ALA 18 Cb 0.18 -1.36 -0.15 0.00 0.00 0.00 0.00 23.12 21.79 1ajb s ALA 18 CO 0.61 0.45 1.88 -2.30 0.00 0.00 0.00 175.76 176.41 1ajb n PRO 19 N -0.52 0.98 -0.73 0.00 -0.02 -1.26 -0.80 135.00 132.65 1ajb n PRO 19 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1ajb n PRO 19 Cb 0.55 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1ajb n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ajb n GLY 20 N 5.05 0.87 0.28 -1.23 0.00 -1.26 -4.88 105.19 104.02 1ajb n GLY 20 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1ajb n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ajb h GLY 21 N 0.00 0.58 0.18 -0.02 0.00 -1.07 -2.27 103.07 100.47 1ajb h GLY 21 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1ajb h GLY 21 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.85 1ajb n ALA 22 N -2.48 2.61 -1.84 3.60 0.00 -1.26 0.24 120.51 121.38 1ajb n ALA 22 Ca 0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1ajb n ALA 22 Cb 0.23 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 1ajb n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ajb s ARG 23 N -1.96 4.27 0.02 0.00 0.52 -0.86 -4.58 118.95 116.37 1ajb s ARG 23 Ca 0.37 2.31 0.23 0.00 -0.52 0.00 0.00 55.73 58.11 1ajb s ARG 23 Cb 0.18 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.58 1ajb s ARG 23 CO 0.29 -0.38 1.02 0.54 0.02 0.00 0.00 175.30 176.79 1ajb n ARG 24 N 1.84 0.17 -4.18 3.54 1.74 -1.26 -0.13 116.66 118.38 1ajb n ARG 24 Ca 0.05 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 1ajb n ARG 24 Cb 0.40 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 1ajb n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ajb s LEU 25 N -3.51 3.64 0.00 0.55 1.43 -1.26 -4.50 118.68 115.02 1ajb s LEU 25 Ca 0.06 0.00 0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1ajb s LEU 25 Cb 0.15 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 44.23 1ajb s LEU 25 CO 0.81 0.25 0.75 0.35 0.23 0.00 0.00 176.35 178.74 1ajb n THR 26 N 1.07 0.00 -2.14 5.49 -2.24 -1.26 -4.97 114.28 110.23 1ajb n THR 26 Ca -0.13 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1ajb n THR 26 Cb 0.52 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1ajb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajb n GLY 27 N 0.82 -1.33 3.75 3.38 0.00 -1.26 -5.14 105.19 105.40 1ajb n GLY 27 Ca 0.05 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1ajb n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajb s ASP 28 N -2.67 7.03 0.00 1.61 2.15 -1.26 -4.97 116.67 118.56 1ajb s ASP 28 Ca 0.00 2.34 0.23 0.00 0.43 0.00 0.00 52.55 55.55 1ajb s ASP 28 Cb 0.00 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 40.07 1ajb s ASP 28 CO 0.00 -0.39 1.13 0.00 -0.17 0.00 0.00 175.17 175.74 1ajb n GLN 29 N 2.08 1.04 -0.28 4.34 1.13 -1.26 -4.61 117.38 119.81 1ajb n GLN 29 Ca 0.03 -0.84 0.01 0.00 -1.94 0.00 0.00 57.00 54.27 1ajb n GLN 29 Cb 0.44 -1.48 0.15 0.00 0.11 0.00 0.00 30.24 29.45 1ajb n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ajb h THR 30 N 2.04 0.95 -0.13 5.09 2.02 -1.99 -0.94 112.91 119.94 1ajb h THR 30 Ca 0.00 -0.28 -0.18 0.00 0.77 0.00 0.00 66.41 66.72 1ajb h THR 30 Cb 0.70 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1ajb h THR 30 CO 0.00 0.15 -0.66 0.00 0.37 0.00 0.00 175.52 175.37 1ajb h ALA 31 N 1.42 0.60 -0.21 6.16 0.00 -1.99 -0.61 119.26 124.62 1ajb h ALA 31 Ca 0.37 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1ajb h ALA 31 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ajb h ALA 31 CO -0.22 0.72 -0.48 0.00 0.00 0.00 0.00 179.25 179.27 1ajb h ALA 32 N 0.90 0.76 -0.48 0.00 0.00 -1.71 -0.92 119.26 117.80 1ajb h ALA 32 Ca -0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1ajb h ALA 32 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1ajb h ALA 32 CO 0.12 0.67 0.10 -0.07 0.00 0.00 0.00 179.25 180.07 1ajb h LEU 33 N 0.45 0.75 -0.55 0.00 4.07 -0.98 -2.32 115.31 116.74 1ajb h LEU 33 Ca 0.02 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.80 1ajb h LEU 33 Cb 1.01 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1ajb h LEU 33 CO 0.09 0.80 0.24 0.03 -1.08 0.00 0.00 178.44 178.53 1ajb h ARG 34 N 0.66 0.44 0.00 1.13 3.08 -0.81 0.18 114.38 119.06 1ajb h ARG 34 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ajb h ARG 34 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1ajb h ARG 34 CO 0.01 0.29 0.00 -0.25 -1.07 0.00 0.00 179.97 178.95 1ajb n ASP 35 N -4.94 0.00 -0.17 7.04 8.00 -0.38 -1.98 116.55 124.12 1ajb n ASP 35 Ca 0.06 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1ajb n ASP 35 Cb 0.19 -0.47 0.23 0.00 -0.02 0.00 0.00 41.12 41.05 1ajb n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ajb n SER 36 N -1.47 0.99 -4.46 -2.24 7.64 0.63 -4.44 113.62 110.26 1ajb n SER 36 Ca 0.02 -0.78 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 1ajb n SER 36 Cb 0.09 0.32 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1ajb n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ajb s LEU 37 N -2.72 5.03 -0.05 -3.43 1.43 -0.84 -4.71 118.68 113.39 1ajb s LEU 37 Ca 0.17 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1ajb s LEU 37 Cb 0.18 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1ajb s LEU 37 CO 0.63 -0.63 -0.02 -0.55 0.23 0.00 0.00 176.35 176.01 1ajb s SER 38 N 2.07 1.10 0.00 2.29 0.15 -1.26 -5.00 113.70 113.05 1ajb s SER 38 Ca 0.11 -0.09 0.22 0.00 0.70 0.00 0.00 55.95 56.88 1ajb s SER 38 Cb -0.19 -0.41 0.52 0.00 -1.71 0.00 0.00 66.02 64.23 1ajb s SER 38 CO 0.12 -0.12 1.44 -0.90 1.20 0.00 0.00 173.24 174.98 1ajb n ASP 39 N 4.49 3.04 -4.70 5.45 5.68 -1.26 -0.91 116.55 128.34 1ajb n ASP 39 Ca -0.18 -1.94 -0.35 0.00 -0.50 0.00 0.00 54.79 51.83 1ajb n ASP 39 Cb 0.50 -0.25 0.11 0.00 -1.14 0.00 0.00 41.12 40.34 1ajb n ASP 39 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ajb n LYS 40 N 1.20 0.46 -1.62 0.11 2.85 -1.26 -4.81 118.16 115.09 1ajb n LYS 40 Ca 0.19 0.23 -0.39 0.00 -1.05 0.00 0.00 58.31 57.29 1ajb n LYS 40 Cb 0.53 -2.47 0.04 0.00 -0.65 0.00 0.00 35.03 32.48 1ajb n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ajb n PRO 41 N -2.87 1.15 -4.01 -1.58 -0.02 -1.26 -4.47 135.00 121.93 1ajb n PRO 41 Ca 0.14 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 1ajb n PRO 41 Cb 0.50 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1ajb n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ajb s ALA 42 N -1.42 3.70 -0.06 3.55 0.00 -0.18 -4.93 121.76 122.42 1ajb s ALA 42 Ca 0.71 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 1ajb s ALA 42 Cb -0.46 -1.84 -0.29 0.00 0.00 0.00 0.00 23.12 20.53 1ajb s ALA 42 CO 0.51 0.58 0.62 -0.22 0.00 0.00 0.00 175.76 177.25 1ajb h LYS 43 N 5.13 0.33 -4.52 0.00 3.64 -0.66 -3.39 116.57 117.11 1ajb h LYS 43 Ca -0.53 -0.57 -0.23 0.00 -1.27 0.00 0.00 60.65 58.06 1ajb h LYS 43 Cb 1.22 0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 33.07 1ajb h LYS 43 CO 0.58 1.24 -0.71 -0.80 -2.27 0.00 0.00 179.45 177.49 1ajb s ASN 44 N -7.15 0.88 -0.02 4.20 0.01 -1.10 -3.23 114.94 108.53 1ajb s ASN 44 Ca -0.16 -0.77 0.01 0.00 -0.71 0.00 0.00 52.86 51.23 1ajb s ASN 44 Cb 0.06 0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.81 1ajb s ASN 44 CO 0.83 -0.35 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.40 1ajb s ILE 45 N -2.52 0.38 -0.16 0.60 1.01 -0.24 -1.43 121.20 118.85 1ajb s ILE 45 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1ajb s ILE 45 Cb -0.02 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.10 1ajb s ILE 45 CO -0.03 0.14 -0.15 -0.63 0.00 0.00 0.00 174.94 174.28 1ajb s ILE 46 N 0.30 1.67 -0.33 2.92 1.01 -0.24 -0.79 121.20 125.73 1ajb s ILE 46 Ca -0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1ajb s ILE 46 Cb -0.07 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.88 1ajb s ILE 46 CO -0.00 0.43 0.07 -0.22 0.00 0.00 0.00 174.94 175.22 1ajb s LEU 47 N 1.44 4.22 -0.23 2.97 2.96 0.10 -1.24 118.68 128.89 1ajb s LEU 47 Ca 0.04 -1.24 -0.13 0.00 -0.22 0.00 0.00 54.13 52.59 1ajb s LEU 47 Cb -0.13 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1ajb s LEU 47 CO -0.11 -0.32 0.25 -0.76 -1.32 0.00 0.00 176.35 174.10 1ajb s LEU 48 N 1.33 4.12 -0.18 -0.68 2.01 0.52 -0.63 118.68 125.17 1ajb s LEU 48 Ca -0.02 0.24 -0.01 0.00 0.01 0.00 0.00 54.13 54.35 1ajb s LEU 48 Cb -0.20 -2.26 0.00 0.00 0.01 0.00 0.00 46.19 43.75 1ajb s LEU 48 CO 0.01 -0.00 -0.13 -0.63 1.01 0.00 0.00 176.35 176.60 1ajb s ILE 49 N 1.24 2.69 -0.47 -0.59 -1.09 0.79 -1.86 121.20 121.92 1ajb s ILE 49 Ca 0.12 -0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 1ajb s ILE 49 Cb -0.14 -2.17 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1ajb s ILE 49 CO 0.06 0.49 0.77 -0.83 -1.23 0.00 0.00 174.94 174.20 1ajb s GLY 50 N 1.18 1.61 -0.19 6.18 0.00 -0.15 -0.72 107.32 115.22 1ajb s GLY 50 Ca 0.02 -1.14 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 1ajb s GLY 50 CO -0.05 1.75 1.55 -0.35 0.00 0.00 0.00 173.10 176.00 1ajb s ASP 51 N 2.26 6.53 0.00 1.64 -1.08 -0.83 -2.10 116.67 123.09 1ajb s ASP 51 Ca 0.27 1.70 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 1ajb s ASP 51 Cb -0.13 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1ajb s ASP 51 CO 0.21 -1.12 0.00 0.61 0.52 0.00 0.00 175.17 175.38 1ajb n GLY 52 N 4.41 0.70 2.92 2.66 0.00 -1.25 -0.93 105.19 113.69 1ajb n GLY 52 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ajb n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ajb n MET 53 N -2.52 2.96 -0.81 1.61 1.56 -0.89 -4.14 117.12 114.89 1ajb n MET 53 Ca 0.00 -2.79 -0.17 0.00 -0.27 0.00 0.00 57.70 54.47 1ajb n MET 53 Cb 0.00 -3.32 0.13 0.00 2.15 0.00 0.00 33.22 32.18 1ajb n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ajb n GLY 54 N 4.33 -2.09 0.29 -5.12 0.00 -1.26 -4.50 105.19 96.85 1ajb n GLY 54 Ca 0.51 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 45.01 1ajb n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ajb h ASP 55 N -1.57 0.31 -0.60 1.61 3.32 -1.93 -2.36 116.42 115.19 1ajb h ASP 55 Ca -0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1ajb h ASP 55 Cb 0.70 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1ajb h ASP 55 CO 0.16 0.22 0.32 -1.28 -1.72 0.00 0.00 179.24 176.95 1ajb h SER 56 N 0.36 0.76 -0.32 6.45 0.87 -1.92 -2.03 113.55 117.73 1ajb h SER 56 Ca 0.10 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1ajb h SER 56 Cb -0.04 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1ajb h SER 56 CO -0.02 0.65 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.48 1ajb h GLU 57 N 0.82 0.75 0.24 2.24 3.07 -1.73 -1.14 114.58 118.83 1ajb h GLU 57 Ca 0.21 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1ajb h GLU 57 Cb 0.07 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1ajb h GLU 57 CO -0.03 0.84 -0.12 0.82 -1.40 0.00 0.00 179.01 179.12 1ajb h ILE 58 N 0.68 0.81 -0.54 3.13 2.04 -1.34 -2.31 117.51 119.97 1ajb h ILE 58 Ca 0.12 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1ajb h ILE 58 Cb 0.59 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1ajb h ILE 58 CO 0.04 0.07 0.26 0.74 0.00 0.00 0.00 178.15 179.26 1ajb h THR 59 N -0.50 0.91 -0.50 -0.27 2.02 -1.21 0.59 112.91 113.96 1ajb h THR 59 Ca -0.03 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1ajb h THR 59 Cb 0.37 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1ajb h THR 59 CO 0.06 0.09 0.31 0.00 0.37 0.00 0.00 175.52 176.35 1ajb h ALA 60 N 1.31 0.64 -0.19 6.16 0.00 -1.19 0.55 119.26 126.54 1ajb h ALA 60 Ca 0.25 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1ajb h ALA 60 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ajb h ALA 60 CO -0.19 0.03 -0.57 0.00 0.00 0.00 0.00 179.25 178.51 1ajb h ALA 61 N 1.21 0.66 0.08 0.00 0.00 -1.20 -2.13 119.26 117.87 1ajb h ALA 61 Ca 0.19 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ajb h ALA 61 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ajb h ALA 61 CO -0.07 0.69 -0.04 -0.09 0.00 0.00 0.00 179.25 179.74 1ajb h ARG 62 N 0.44 -0.10 -0.62 0.00 2.43 -0.55 0.09 114.38 116.07 1ajb h ARG 62 Ca 0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1ajb h ARG 62 Cb 1.13 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 1ajb h ARG 62 CO 0.11 0.21 0.13 -0.91 -1.51 0.00 0.00 179.97 178.00 1ajb h ASN 63 N -0.43 -0.01 0.05 -3.80 2.35 -0.87 0.20 115.58 113.07 1ajb h ASN 63 Ca -0.01 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ajb h ASN 63 Cb 0.36 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ajb h ASN 63 CO 0.02 -0.00 -0.02 0.22 -1.65 0.00 0.00 177.43 175.99 1ajb h TYR 64 N 0.25 -0.06 0.22 1.19 5.03 -1.34 -2.17 116.97 120.09 1ajb h TYR 64 Ca 0.33 -0.00 -0.32 0.00 2.58 0.00 0.00 58.73 61.31 1ajb h TYR 64 Cb 0.50 0.02 0.03 0.00 1.55 0.00 0.00 36.73 38.83 1ajb h TYR 64 CO -0.26 0.54 -1.42 0.00 -1.32 0.00 0.00 178.16 175.70 1ajb h ALA 65 N 0.10 -0.09 0.00 1.82 0.00 -0.79 -0.69 119.26 119.60 1ajb h ALA 65 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1ajb h ALA 65 Cb 0.63 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ajb h ALA 65 CO 0.01 0.78 -0.39 0.39 0.00 0.00 0.00 179.25 180.04 1ajb n GLU 66 N -3.66 4.31 0.00 0.00 -0.58 0.56 -4.81 120.64 116.46 1ajb n GLU 66 Ca -0.14 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1ajb n GLU 66 Cb 1.08 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 1ajb n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ajb n GLY 67 N 1.20 -0.49 0.29 0.62 0.00 -0.33 -3.32 105.19 103.16 1ajb n GLY 67 Ca 0.02 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.41 1ajb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajb h ALA 68 N 0.00 1.65 -0.34 4.61 0.00 -1.78 0.39 119.26 123.79 1ajb h ALA 68 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ajb h ALA 68 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ajb h ALA 68 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1ajb n GLY 69 N -1.30 0.97 0.00 0.00 0.00 -1.26 -4.87 105.19 98.74 1ajb n GLY 69 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ajb n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajb n GLY 70 N 1.27 -1.24 3.35 -0.02 0.00 0.13 -0.79 105.19 107.88 1ajb n GLY 70 Ca 0.17 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1ajb n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ajb s PHE 71 N -0.91 -0.62 -0.41 1.61 5.36 -1.26 -4.56 117.98 117.19 1ajb s PHE 71 Ca 0.00 1.38 -0.26 0.00 -0.96 0.00 0.00 56.93 57.08 1ajb s PHE 71 Cb 0.00 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1ajb s PHE 71 CO 0.00 -0.33 0.97 -0.06 -1.46 0.00 0.00 175.22 174.34 1ajb s PHE 72 N 0.99 2.99 0.57 10.12 0.08 -1.26 -4.91 117.98 126.57 1ajb s PHE 72 Ca -0.06 0.69 0.29 0.00 0.12 0.00 0.00 56.93 57.96 1ajb s PHE 72 Cb -0.06 -3.88 1.49 0.00 -0.57 0.00 0.00 43.02 40.00 1ajb s PHE 72 CO -0.09 -0.97 1.94 0.87 -0.10 0.00 0.00 175.22 176.87 1ajb h LYS 73 N 8.74 0.00 0.00 0.44 6.56 -1.96 -1.59 116.57 128.76 1ajb h LYS 73 Ca -0.23 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 1ajb h LYS 73 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1ajb h LYS 73 CO 1.02 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.82 1ajb n GLY 74 N -1.54 -0.46 0.38 3.86 0.00 -1.26 -4.30 105.19 101.87 1ajb n GLY 74 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1ajb n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ajb h ILE 75 N 0.00 0.71 -0.02 -0.61 2.04 -1.80 -0.94 117.51 116.89 1ajb h ILE 75 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ajb h ILE 75 Cb 0.00 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1ajb h ILE 75 CO 0.00 0.11 -0.16 0.47 0.00 0.00 0.00 178.15 178.57 1ajb n ASP 76 N -4.62 1.85 -0.39 1.72 8.00 -0.60 -4.19 116.55 118.32 1ajb n ASP 76 Ca 0.21 -1.47 0.13 0.00 0.71 0.00 0.00 54.79 54.37 1ajb n ASP 76 Cb 0.63 0.13 0.55 0.00 -0.02 0.00 0.00 41.12 42.41 1ajb n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ajb n ALA 77 N 0.21 2.58 -2.68 2.24 0.00 -0.36 -4.81 120.51 117.70 1ajb n ALA 77 Ca 0.14 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 1ajb n ALA 77 Cb 0.43 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 1ajb n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajb s LEU 78 N -1.85 4.19 0.27 0.00 1.02 -1.26 -0.68 118.68 120.37 1ajb s LEU 78 Ca 0.37 0.96 0.10 0.00 0.02 0.00 0.00 54.13 55.58 1ajb s LEU 78 Cb 0.20 -2.98 0.37 0.00 0.02 0.00 0.00 46.19 43.79 1ajb s LEU 78 CO 0.31 -0.25 1.62 1.55 0.02 0.00 0.00 176.35 179.60 1ajb h PRO 79 N 7.27 0.04 -5.26 1.29 0.13 -1.87 -3.44 132.00 130.16 1ajb h PRO 79 Ca -0.33 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.15 1ajb h PRO 79 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1ajb h PRO 79 CO 0.78 0.62 -0.59 -0.51 -0.23 0.00 0.00 178.00 178.08 1ajb s LEU 80 N -7.70 3.68 0.02 1.56 2.01 -1.03 -4.98 118.68 112.23 1ajb s LEU 80 Ca -0.02 0.02 0.02 0.00 0.01 0.00 0.00 54.13 54.16 1ajb s LEU 80 Cb 0.13 -1.93 -0.01 0.00 0.01 0.00 0.00 46.19 44.39 1ajb s LEU 80 CO 0.77 0.16 -0.07 0.42 1.01 0.00 0.00 176.35 178.64 1ajb s THR 81 N 0.45 0.50 0.00 5.49 -4.23 -1.26 -0.71 115.64 115.88 1ajb s THR 81 Ca 0.02 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1ajb s THR 81 Cb -0.13 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1ajb s THR 81 CO 0.01 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1ajb n GLY 82 N 2.26 2.79 3.02 3.99 0.00 -0.43 -3.94 105.19 112.88 1ajb n GLY 82 Ca -0.17 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1ajb n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ajb s GLN 83 N -1.66 1.30 0.21 1.61 1.11 -0.49 -2.08 119.66 119.67 1ajb s GLN 83 Ca 0.00 -0.37 0.07 0.00 0.01 0.00 0.00 55.36 55.07 1ajb s GLN 83 Cb 0.00 -1.15 -0.05 0.00 -1.01 0.00 0.00 33.01 30.80 1ajb s GLN 83 CO 0.00 0.10 -0.13 1.52 0.01 0.00 0.00 175.29 176.80 1ajb s TYR 84 N 0.35 1.70 0.01 0.91 1.13 -0.37 -1.90 117.35 119.17 1ajb s TYR 84 Ca -0.07 -0.62 -0.02 0.00 -1.41 0.00 0.00 57.07 54.96 1ajb s TYR 84 Cb -0.12 -0.82 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 1ajb s TYR 84 CO 0.02 0.31 0.16 0.95 -2.51 0.00 0.00 175.55 174.48 1ajb s THR 85 N -3.02 5.22 0.00 -3.49 -4.23 -0.84 -2.43 115.64 106.84 1ajb s THR 85 Ca 0.23 -0.28 0.23 0.00 -1.18 0.00 0.00 61.69 60.69 1ajb s THR 85 Cb 0.00 -3.45 0.38 0.00 1.34 0.00 0.00 72.50 70.77 1ajb s THR 85 CO 0.07 0.30 1.15 0.00 -0.54 0.00 0.00 174.62 175.59 1ajb n HIS 86 N 0.89 0.00 -1.87 3.99 1.44 -1.26 -0.33 115.22 118.07 1ajb n HIS 86 Ca -0.10 -0.46 -0.37 0.00 -2.01 0.00 0.00 57.72 54.77 1ajb n HIS 86 Cb 0.52 -0.11 0.05 0.00 0.12 0.00 0.00 29.99 30.57 1ajb n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1ajb s TYR 87 N 0.00 2.28 0.00 -1.40 1.13 -1.26 -4.37 117.35 113.73 1ajb s TYR 87 Ca 0.30 1.47 0.00 0.00 -1.41 0.00 0.00 57.07 57.43 1ajb s TYR 87 Cb 0.34 -3.63 0.00 0.00 -1.10 0.00 0.00 41.96 37.57 1ajb s TYR 87 CO -0.15 -2.60 0.00 0.00 -2.51 0.00 0.00 175.55 170.29 1ajb n ALA 88 N -1.49 0.00 -2.46 9.51 0.00 0.46 -4.90 120.51 121.61 1ajb n ALA 88 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1ajb n ALA 88 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 1ajb n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajb s LEU 89 N 0.00 2.43 -0.10 0.00 1.43 0.23 -0.76 118.68 121.90 1ajb s LEU 89 Ca 0.00 -0.84 -0.23 0.00 -1.03 0.00 0.00 54.13 52.03 1ajb s LEU 89 Cb 0.00 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1ajb s LEU 89 CO 0.00 -0.10 0.68 0.21 0.23 0.00 0.00 176.35 177.37 1ajb s ASN 90 N -2.59 6.91 0.30 2.29 3.84 0.76 -3.93 114.94 122.52 1ajb s ASN 90 Ca 0.13 1.10 0.01 0.00 0.21 0.00 0.00 52.86 54.30 1ajb s ASN 90 Cb -0.05 -2.39 0.47 0.00 -0.55 0.00 0.00 41.25 38.73 1ajb s ASN 90 CO 0.05 -0.16 1.83 0.50 -2.79 0.00 0.00 177.10 176.53 1ajb h LYS 91 N 6.94 0.69 0.05 0.43 3.64 -1.93 0.32 116.57 126.70 1ajb h LYS 91 Ca -0.38 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1ajb h LYS 91 Cb 1.18 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1ajb h LYS 91 CO 0.77 0.67 -0.42 0.87 -2.27 0.00 0.00 179.45 179.07 1ajb h LYS 92 N 0.66 0.20 0.00 1.90 1.79 -1.93 -3.39 116.57 115.80 1ajb h LYS 92 Ca 0.14 -0.28 -0.19 0.00 -2.18 0.00 0.00 60.65 58.14 1ajb h LYS 92 Cb 0.34 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1ajb h LYS 92 CO 0.01 1.07 -2.00 0.25 -1.08 0.00 0.00 179.45 177.70 1ajb n THR 93 N -4.37 0.88 -0.97 -0.16 -2.24 -1.20 -4.96 114.28 101.27 1ajb n THR 93 Ca -0.11 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1ajb n THR 93 Cb 0.63 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1ajb n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajb n GLY 94 N 1.49 0.51 3.91 3.38 0.00 0.11 -5.01 105.19 109.59 1ajb n GLY 94 Ca -0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1ajb n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajb s LYS 95 N -0.08 3.35 0.33 1.61 1.02 -1.25 -4.72 119.74 120.00 1ajb s LYS 95 Ca 0.00 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 1ajb s LYS 95 Cb 0.00 -2.36 -0.11 0.00 -0.52 0.00 0.00 37.83 34.84 1ajb s LYS 95 CO 0.00 -0.34 1.57 -2.30 -0.92 0.00 0.00 175.35 173.36 1ajb n PRO 96 N -2.34 2.73 -3.91 -1.68 -0.02 -1.26 -0.17 135.00 128.35 1ajb n PRO 96 Ca 0.02 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.12 1ajb n PRO 96 Cb 0.56 -2.74 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 1ajb n PRO 96 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ajb s ASP 97 N 0.28 4.91 0.65 2.55 -1.08 0.06 -4.69 116.67 119.34 1ajb s ASP 97 Ca 0.60 -1.60 0.39 0.00 -0.52 0.00 0.00 52.55 51.42 1ajb s ASP 97 Cb -0.48 -1.71 2.18 0.00 -1.46 0.00 0.00 42.92 41.45 1ajb s ASP 97 CO 0.54 -0.34 2.30 1.88 0.52 0.00 0.00 175.17 180.07 1ajb h TYR 98 N 7.93 0.00 -3.18 -5.34 0.05 -1.94 0.13 116.97 114.61 1ajb h TYR 98 Ca -0.16 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.02 1ajb h TYR 98 Cb 1.05 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 38.43 1ajb h TYR 98 CO 0.58 0.00 -0.83 0.08 -1.05 0.00 0.00 178.16 176.95 1ajb s VAL 99 N -4.30 1.53 0.41 -2.88 1.01 -1.26 -4.50 120.40 110.41 1ajb s VAL 99 Ca -0.05 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1ajb s VAL 99 Cb 0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1ajb s VAL 99 CO 0.44 0.39 0.67 0.28 0.00 0.00 0.00 175.10 176.88 1ajb s THR 100 N 1.49 5.01 0.44 3.92 -1.32 -1.26 -4.72 115.64 119.20 1ajb s THR 100 Ca 0.04 -0.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1ajb s THR 100 Cb -0.13 -3.86 0.08 0.00 -1.51 0.00 0.00 72.50 67.07 1ajb s THR 100 CO -0.10 -0.70 0.61 -0.90 -2.21 0.00 0.00 174.62 171.32 1ajb n ASP 101 N -2.02 1.26 0.17 8.08 5.75 -1.26 -4.92 116.55 123.60 1ajb n ASP 101 Ca -0.02 -1.96 0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1ajb n ASP 101 Cb 0.56 -0.36 0.46 0.00 -1.03 0.00 0.00 41.12 40.75 1ajb n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ajb h SER 102 N -0.12 0.00 0.07 -1.12 0.02 -1.99 -3.16 113.55 107.26 1ajb h SER 102 Ca -0.20 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.40 1ajb h SER 102 Cb 0.86 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1ajb h SER 102 CO 0.26 0.00 -1.91 0.00 -1.14 0.00 0.00 176.83 174.04 1ajb n ALA 103 N -1.89 0.94 -0.02 3.77 0.00 -1.26 -3.36 120.51 118.70 1ajb n ALA 103 Ca 0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 1ajb n ALA 103 Cb 0.35 -0.53 0.11 0.00 0.00 0.00 0.00 19.45 19.37 1ajb n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ajb h ALA 104 N -0.14 0.87 -0.34 0.00 0.00 -1.65 -0.64 119.26 117.36 1ajb h ALA 104 Ca -0.44 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 1ajb h ALA 104 Cb 1.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1ajb h ALA 104 CO -0.04 0.63 -0.23 0.66 0.00 0.00 0.00 179.25 180.28 1ajb h SER 105 N 0.50 0.78 -0.68 0.00 4.64 -1.73 -1.97 113.55 115.09 1ajb h SER 105 Ca 0.05 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 60.91 1ajb h SER 105 Cb 0.86 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1ajb h SER 105 CO 0.07 1.05 0.33 0.00 -0.87 0.00 0.00 176.83 177.41 1ajb h ALA 106 N 0.76 0.88 -0.77 5.18 0.00 -1.49 -2.05 119.26 121.77 1ajb h ALA 106 Ca 0.07 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ajb h ALA 106 Cb 0.79 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1ajb h ALA 106 CO 0.06 0.44 0.44 1.15 0.00 0.00 0.00 179.25 181.34 1ajb h THR 107 N 0.94 0.97 0.02 0.00 2.02 -1.04 -2.07 112.91 113.76 1ajb h THR 107 Ca 0.23 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1ajb h THR 107 Cb 0.11 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1ajb h THR 107 CO -0.03 0.15 -0.27 0.00 0.37 0.00 0.00 175.52 175.73 1ajb h ALA 108 N 1.39 -0.39 0.00 6.16 0.00 -0.63 0.01 119.26 125.80 1ajb h ALA 108 Ca 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ajb h ALA 108 Cb 0.23 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ajb h ALA 108 CO -0.20 -0.78 -0.17 0.11 0.00 0.00 0.00 179.25 178.21 1ajb h TRP 109 N -0.43 0.00 -0.00 0.00 0.09 -1.41 0.13 115.95 114.33 1ajb h TRP 109 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.04 1ajb h TRP 109 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.74 1ajb h TRP 109 CO -0.29 0.17 -0.79 -1.13 0.09 0.00 0.00 178.44 176.49 1ajb n SER 110 N -3.20 0.91 0.00 0.11 3.41 -0.79 -3.71 113.62 110.36 1ajb n SER 110 Ca 0.02 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1ajb n SER 110 Cb 0.51 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1ajb n SER 110 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ajb n THR 111 N -1.38 0.00 -0.91 6.66 -1.04 -0.06 0.18 114.28 117.73 1ajb n THR 111 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1ajb n THR 111 Cb 0.34 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1ajb n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ajb n GLY 112 N 2.07 0.51 3.08 3.41 0.00 0.03 -4.92 105.19 109.38 1ajb n GLY 112 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1ajb n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajb s VAL 113 N -2.00 0.80 0.62 1.61 0.11 -1.25 -4.92 120.40 115.36 1ajb s VAL 113 Ca 0.00 -0.83 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 1ajb s VAL 113 Cb 0.00 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1ajb s VAL 113 CO 0.00 -0.06 1.04 -0.54 -3.33 0.00 0.00 175.10 172.21 1ajb s LYS 114 N -0.99 3.37 0.05 1.54 -0.14 -1.26 -3.51 119.74 118.79 1ajb s LYS 114 Ca -0.01 1.00 -0.01 0.00 -1.36 0.00 0.00 55.97 55.58 1ajb s LYS 114 Cb -0.07 -2.05 0.01 0.00 -1.68 0.00 0.00 37.83 34.04 1ajb s LYS 114 CO 0.01 -0.76 0.09 -2.37 -0.76 0.00 0.00 175.35 171.56 1ajb n THR 115 N -2.42 0.00 -3.81 2.17 5.66 -1.26 -4.45 114.28 110.17 1ajb n THR 115 Ca 0.07 -0.20 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 1ajb n THR 115 Cb 0.53 0.15 -0.04 0.00 -1.55 0.00 0.00 70.33 69.43 1ajb n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1ajb s TYR 116 N -6.47 3.49 -0.01 1.09 1.13 -1.25 -0.60 117.35 114.73 1ajb s TYR 116 Ca 0.03 0.31 -0.34 0.00 -1.41 0.00 0.00 57.07 55.66 1ajb s TYR 116 Cb -0.00 -1.82 -0.13 0.00 -1.10 0.00 0.00 41.96 38.91 1ajb s TYR 116 CO 0.02 0.48 1.78 0.09 -2.51 0.00 0.00 175.55 175.41 1ajb n ASN 117 N -0.20 3.29 0.00 -0.18 3.02 -1.26 -1.84 115.26 118.09 1ajb n ASN 117 Ca -0.05 1.01 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1ajb n ASN 117 Cb 0.53 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1ajb n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ajb n GLY 118 N 4.06 2.47 3.79 7.41 0.00 -1.26 -4.97 105.19 116.70 1ajb n GLY 118 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1ajb n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajb s ALA 119 N -2.45 3.12 -0.17 4.61 0.00 -0.77 -0.25 121.76 125.85 1ajb s ALA 119 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1ajb s ALA 119 Cb 0.00 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1ajb s ALA 119 CO 0.00 0.03 -0.02 -0.51 0.00 0.00 0.00 175.76 175.26 1ajb s LEU 120 N -2.56 1.51 -0.69 0.00 1.43 -0.94 -3.52 118.68 113.90 1ajb s LEU 120 Ca 0.56 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1ajb s LEU 120 Cb -0.17 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1ajb s LEU 120 CO 0.22 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ajb n GLY 121 N 4.93 0.66 3.05 -3.19 0.00 -1.26 -0.89 105.19 108.49 1ajb n GLY 121 Ca -0.10 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1ajb n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajb s VAL 122 N -2.28 0.26 0.56 1.61 -7.23 -1.26 -2.07 120.40 110.00 1ajb s VAL 122 Ca 0.00 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1ajb s VAL 122 Cb 0.00 -0.89 0.11 0.00 0.56 0.00 0.00 36.38 36.16 1ajb s VAL 122 CO 0.00 -0.70 0.77 -0.90 -0.31 0.00 0.00 175.10 173.96 1ajb n ASP 123 N 0.89 1.02 0.05 4.85 5.68 -0.03 -4.77 116.55 124.24 1ajb n ASP 123 Ca -0.19 -1.86 0.03 0.00 -0.50 0.00 0.00 54.79 52.27 1ajb n ASP 123 Cb 0.58 -0.50 0.18 0.00 -1.14 0.00 0.00 41.12 40.23 1ajb n ASP 123 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1ajb n ILE 124 N -2.53 1.68 -0.33 2.12 -5.35 -1.26 -0.11 119.36 113.59 1ajb n ILE 124 Ca 0.13 0.57 0.09 0.00 -0.27 0.00 0.00 62.75 63.27 1ajb n ILE 124 Cb 0.45 -1.57 0.27 0.00 -1.74 0.00 0.00 39.64 37.05 1ajb n ILE 124 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1ajb n HIS 125 N -1.72 0.83 -1.79 4.28 8.25 -1.26 -4.93 115.22 118.88 1ajb n HIS 125 Ca -0.00 -0.51 -0.16 0.00 -0.26 0.00 0.00 57.72 56.78 1ajb n HIS 125 Cb 0.02 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 1ajb n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ajb n GLU 126 N 1.20 -1.19 -2.59 -0.41 1.02 0.85 -4.99 120.64 114.53 1ajb n GLU 126 Ca 0.20 0.96 -0.40 0.00 -0.02 0.00 0.00 57.16 57.90 1ajb n GLU 126 Cb 0.58 -5.23 -0.05 0.00 -0.02 0.00 0.00 31.44 26.72 1ajb n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ajb s LYS 127 N -3.91 4.73 0.23 3.49 2.20 -1.26 -4.77 119.74 120.45 1ajb s LYS 127 Ca 0.00 1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 1ajb s LYS 127 Cb 0.00 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 33.01 1ajb s LYS 127 CO 0.00 0.34 0.97 -0.51 -0.36 0.00 0.00 175.35 175.79 1ajb s ASP 128 N -1.02 7.57 -0.02 1.43 1.01 -1.26 -0.85 116.67 123.53 1ajb s ASP 128 Ca 0.43 1.98 0.05 0.00 0.71 0.00 0.00 52.55 55.72 1ajb s ASP 128 Cb -0.29 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.02 1ajb s ASP 128 CO 0.37 0.08 -0.16 -1.00 0.21 0.00 0.00 175.17 174.67 1ajb s HIS 129 N -1.00 1.51 0.51 4.23 3.76 -0.88 -4.95 115.29 118.48 1ajb s HIS 129 Ca 0.42 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.78 1ajb s HIS 129 Cb -0.27 -0.99 -0.07 0.00 1.11 0.00 0.00 32.58 32.37 1ajb s HIS 129 CO 0.33 -0.07 1.22 -2.30 -0.85 0.00 0.00 174.74 173.07 1ajb n PRO 130 N 2.83 1.55 -3.73 8.40 -0.02 -1.26 -4.84 135.00 137.93 1ajb n PRO 130 Ca -0.16 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 1ajb n PRO 130 Cb 0.54 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1ajb n PRO 130 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ajb s THR 131 N -1.31 5.21 0.54 3.45 -4.23 -1.26 -4.46 115.64 113.57 1ajb s THR 131 Ca 0.69 -0.66 0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1ajb s THR 131 Cb -0.45 -3.82 0.44 0.00 1.34 0.00 0.00 72.50 70.00 1ajb s THR 131 CO 0.52 -0.34 1.94 -0.29 -0.54 0.00 0.00 174.62 175.90 1ajb h ILE 132 N 1.17 0.60 -0.03 2.99 6.09 -0.60 -0.25 117.51 127.48 1ajb h ILE 132 Ca -0.50 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.85 1ajb h ILE 132 Cb 1.21 0.64 0.01 0.00 0.47 0.00 0.00 36.82 39.15 1ajb h ILE 132 CO 0.63 0.00 -0.54 0.25 -3.07 0.00 0.00 178.15 175.42 1ajb h LEU 133 N 0.00 0.53 -0.57 2.19 6.46 -1.84 -0.45 115.31 121.63 1ajb h LEU 133 Ca 0.32 -0.72 -0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1ajb h LEU 133 Cb 1.35 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 1ajb h LEU 133 CO -0.00 1.18 0.27 -0.33 -0.62 0.00 0.00 178.44 178.94 1ajb h GLU 134 N -0.07 0.81 -0.46 1.25 5.08 -1.43 -1.09 114.58 118.68 1ajb h GLU 134 Ca -0.06 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1ajb h GLU 134 Cb 1.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1ajb h GLU 134 CO 0.11 0.66 -0.06 0.52 -1.00 0.00 0.00 179.01 179.24 1ajb h MET 135 N 0.77 0.80 -0.48 2.33 2.86 -1.05 -0.07 114.93 120.08 1ajb h MET 135 Ca 0.19 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1ajb h MET 135 Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1ajb h MET 135 CO -0.02 0.84 -0.12 0.00 1.06 0.00 0.00 176.91 178.67 1ajb h ALA 136 N 1.20 0.89 -0.13 6.32 0.00 -0.71 -1.65 119.26 125.18 1ajb h ALA 136 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ajb h ALA 136 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ajb h ALA 136 CO 0.03 0.64 0.02 -0.22 0.00 0.00 0.00 179.25 179.72 1ajb h LYS 137 N 0.80 0.21 -0.56 0.00 3.64 -0.89 0.66 116.57 120.42 1ajb h LYS 137 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ajb h LYS 137 Cb 0.64 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1ajb h LYS 137 CO 0.04 0.40 0.29 0.00 -2.27 0.00 0.00 179.45 177.92 1ajb h ALA 138 N 0.80 1.47 0.00 5.00 0.00 -0.80 0.56 119.26 126.29 1ajb h ALA 138 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ajb h ALA 138 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ajb h ALA 138 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1ajb n ALA 139 N -2.45 2.57 -0.24 0.00 0.00 -0.64 -4.90 120.51 114.85 1ajb n ALA 139 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ajb n ALA 139 Cb 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1ajb n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajb n GLY 140 N 0.81 0.73 3.86 0.00 0.00 0.19 -5.07 105.19 105.72 1ajb n GLY 140 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1ajb n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajb s LEU 141 N 0.00 3.63 0.59 0.99 1.02 0.20 -4.78 118.68 120.32 1ajb s LEU 141 Ca 0.00 1.36 -0.14 0.00 0.02 0.00 0.00 54.13 55.37 1ajb s LEU 141 Cb 0.00 -4.29 -0.04 0.00 0.02 0.00 0.00 46.19 41.87 1ajb s LEU 141 CO 0.00 -0.57 1.03 0.00 0.02 0.00 0.00 176.35 176.83 1ajb s ALA 142 N -2.64 2.93 -0.00 4.21 0.00 0.06 -4.21 121.76 122.12 1ajb s ALA 142 Ca 0.55 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 1ajb s ALA 142 Cb -0.10 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ajb s ALA 142 CO 0.36 -0.65 0.01 0.95 0.00 0.00 0.00 175.76 176.42 1ajb s THR 143 N -2.79 0.01 0.00 0.00 -4.23 -1.26 -1.35 115.64 106.02 1ajb s THR 143 Ca 0.59 -0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.99 1ajb s THR 143 Cb -0.12 -0.04 -0.01 0.00 1.34 0.00 0.00 72.50 73.67 1ajb s THR 143 CO 0.42 -0.04 0.04 -0.83 -0.54 0.00 0.00 174.62 173.67 1ajb s GLY 144 N -0.13 0.11 -0.20 3.99 0.00 -0.32 -1.76 107.32 109.01 1ajb s GLY 144 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 44.72 44.39 1ajb s GLY 144 CO -0.00 -0.34 0.13 0.21 0.00 0.00 0.00 173.10 173.09 1ajb s ASN 145 N -1.04 2.39 -0.02 1.64 2.47 -0.42 -1.77 114.94 118.19 1ajb s ASN 145 Ca -0.11 -0.68 0.07 0.00 0.42 0.00 0.00 52.86 52.56 1ajb s ASN 145 Cb -0.07 -0.14 -0.02 0.00 -1.45 0.00 0.00 41.25 39.58 1ajb s ASN 145 CO -0.00 -0.36 -0.24 -0.69 -3.72 0.00 0.00 177.10 172.09 1ajb s VAL 146 N 2.17 1.89 0.00 -5.21 1.01 -0.17 -1.56 120.40 118.53 1ajb s VAL 146 Ca 0.04 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1ajb s VAL 146 Cb -0.16 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1ajb s VAL 146 CO -0.16 0.54 0.48 -0.55 0.00 0.00 0.00 175.10 175.41 1ajb s SER 147 N -0.53 -0.39 0.00 3.32 0.15 -0.22 -1.20 113.70 114.82 1ajb s SER 147 Ca 0.08 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.25 1ajb s SER 147 Cb -0.10 0.44 0.48 0.00 -1.71 0.00 0.00 66.02 65.13 1ajb s SER 147 CO -0.01 -0.59 1.39 0.35 1.20 0.00 0.00 173.24 175.58 1ajb n THR 148 N 0.83 0.00 -2.24 6.45 -2.24 -1.06 -3.88 114.28 112.14 1ajb n THR 148 Ca -0.20 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.15 1ajb n THR 148 Cb 0.58 0.69 0.16 0.00 -2.10 0.00 0.00 70.33 69.66 1ajb n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajb s ALA 149 N -2.51 2.91 0.43 6.98 0.00 -1.26 -1.45 121.76 126.86 1ajb s ALA 149 Ca 0.22 -1.50 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 1ajb s ALA 149 Cb 0.19 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.83 1ajb s ALA 149 CO 0.55 -2.05 1.39 -1.21 0.00 0.00 0.00 175.76 174.44 1ajb s GLU 150 N -5.57 3.81 0.02 0.00 2.02 -1.26 -1.89 118.70 115.83 1ajb s GLU 150 Ca 0.71 2.34 0.09 0.00 0.02 0.00 0.00 54.97 58.14 1ajb s GLU 150 Cb -0.04 -2.71 0.41 0.00 0.10 0.00 0.00 34.13 31.89 1ajb s GLU 150 CO 0.49 -0.69 1.30 1.28 0.02 0.00 0.00 175.26 177.66 1ajb n LEU 151 N -0.04 0.04 -0.53 1.80 4.32 -0.50 -0.40 117.00 121.69 1ajb n LEU 151 Ca 0.04 0.51 0.13 0.00 -0.02 0.00 0.00 56.01 56.68 1ajb n LEU 151 Cb 0.42 -0.51 0.36 0.00 -1.62 0.00 0.00 43.42 42.07 1ajb n LEU 151 CO 0.58 -0.38 0.73 0.00 -1.22 0.00 0.00 177.39 177.10 1ajb n GLN 152 N -1.55 1.58 -1.28 3.23 3.00 -1.26 -3.88 117.38 117.22 1ajb n GLN 152 Ca 0.02 -1.06 -0.33 0.00 -0.01 0.00 0.00 57.00 55.62 1ajb n GLN 152 Cb 0.10 -1.48 0.10 0.00 0.00 0.00 0.00 30.24 28.97 1ajb n GLN 152 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1ajb s GLY 153 N -2.15 2.07 0.25 1.08 0.00 0.46 -4.76 107.32 104.28 1ajb s GLY 153 Ca 0.31 0.68 -0.13 0.00 0.00 0.00 0.00 44.72 45.58 1ajb s GLY 153 CO 0.39 1.07 1.56 0.00 0.00 0.00 0.00 173.10 176.12 1ajb h ALA 154 N -0.73 0.40 0.77 3.20 0.00 -1.88 -2.65 119.26 118.36 1ajb h ALA 154 Ca -0.46 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ajb h ALA 154 Cb 1.27 0.84 0.01 0.00 0.00 0.00 0.00 17.79 19.91 1ajb h ALA 154 CO 0.49 -0.50 -0.37 1.15 0.00 0.00 0.00 179.25 180.02 1ajb h THR 155 N -0.01 0.00 -0.61 0.00 2.02 -1.92 -0.67 112.91 111.72 1ajb h THR 155 Ca 0.40 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 1ajb h THR 155 Cb 0.65 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1ajb h THR 155 CO -0.96 0.00 0.34 1.55 0.37 0.00 0.00 175.52 176.82 1ajb h PRO 156 N -1.13 0.84 -0.73 6.66 0.13 -1.85 -3.05 132.00 132.87 1ajb h PRO 156 Ca -0.11 -0.09 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1ajb h PRO 156 Cb 0.79 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1ajb h PRO 156 CO 0.17 0.63 0.48 0.00 -0.23 0.00 0.00 178.00 179.06 1ajb h ALA 157 N 1.16 1.52 -0.08 -0.56 0.00 -1.46 -1.91 119.26 117.93 1ajb h ALA 157 Ca 0.22 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ajb h ALA 157 Cb 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ajb h ALA 157 CO -0.04 0.42 0.15 0.00 0.00 0.00 0.00 179.25 179.79 1ajb h ALA 158 N 1.56 1.49 0.00 0.00 0.00 -0.99 0.14 119.26 121.45 1ajb h ALA 158 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ajb h ALA 158 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ajb h ALA 158 CO -0.07 -0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 178.81 1ajb h LEU 159 N 0.00 0.00 0.00 0.00 3.38 -1.46 -3.40 115.31 113.83 1ajb h LEU 159 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ajb h LEU 159 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ajb h LEU 159 CO -0.00 0.02 -0.18 1.33 0.09 0.00 0.00 178.44 179.69 1ajb n VAL 160 N -2.29 0.00 -4.37 1.22 0.24 -0.82 -4.40 118.33 107.91 1ajb n VAL 160 Ca 0.05 -0.04 -0.28 0.00 -2.04 0.00 0.00 64.34 62.03 1ajb n VAL 160 Cb 0.44 0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 33.07 1ajb n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ajb s ALA 161 N -0.44 2.29 -0.30 2.33 0.00 0.43 -4.41 121.76 121.66 1ajb s ALA 161 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.53 1ajb s ALA 161 Cb 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 23.12 22.86 1ajb s ALA 161 CO 0.00 0.51 0.05 -1.01 0.00 0.00 0.00 175.76 175.31 1ajb s HIS 162 N -1.10 2.53 0.03 0.00 3.76 -1.26 -4.00 115.29 115.25 1ajb s HIS 162 Ca 0.13 -2.15 -0.01 0.00 -0.15 0.00 0.00 55.06 52.88 1ajb s HIS 162 Cb -0.10 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 1ajb s HIS 162 CO 0.06 -0.87 -0.00 0.14 -0.85 0.00 0.00 174.74 173.21 1ajb s VAL 163 N 1.34 0.15 -1.22 -0.90 -7.23 -0.07 -4.95 120.40 107.52 1ajb s VAL 163 Ca 0.07 -1.24 0.29 0.00 -1.81 0.00 0.00 61.98 59.29 1ajb s VAL 163 Cb -0.18 -0.80 0.37 0.00 0.56 0.00 0.00 36.38 36.33 1ajb s VAL 163 CO -0.15 -0.68 1.97 0.35 -0.31 0.00 0.00 175.10 176.27 1ajb n THR 164 N 0.95 0.00 -3.74 5.32 -2.24 -1.26 -2.22 114.28 111.09 1ajb n THR 164 Ca -0.20 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1ajb n THR 164 Cb 0.58 -0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 1ajb n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ajb s SER 165 N -2.79 -0.22 0.64 3.42 0.15 -1.25 -4.28 113.70 109.37 1ajb s SER 165 Ca 0.21 0.46 0.34 0.00 0.70 0.00 0.00 55.95 57.66 1ajb s SER 165 Cb 0.20 0.35 1.90 0.00 -1.71 0.00 0.00 66.02 66.76 1ajb s SER 165 CO 0.50 -0.16 2.14 0.08 1.20 0.00 0.00 173.24 177.01 1ajb h ARG 166 N 7.12 0.00 0.00 5.44 0.11 -0.92 -2.52 114.38 123.60 1ajb h ARG 166 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1ajb h ARG 166 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1ajb h ARG 166 CO 0.39 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.09 1ajb n LYS 167 N -3.33 0.24 -2.38 0.08 5.02 -1.26 -4.46 118.16 112.07 1ajb n LYS 167 Ca -0.01 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1ajb n LYS 167 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1ajb n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajb h TYR 169 N 5.81 -0.68 -3.22 0.00 -1.99 -1.89 -0.60 116.97 114.40 1ajb h TYR 169 Ca 0.39 -0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.93 1ajb h TYR 169 Cb 0.64 0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.55 1ajb h TYR 169 CO 1.24 -0.37 -0.16 0.41 -0.00 0.00 0.00 178.16 179.28 1ajb n GLY 170 N -1.03 3.71 0.30 3.88 0.00 -1.26 -1.02 105.19 109.77 1ajb n GLY 170 Ca -0.12 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.17 1ajb n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ajb h PRO 171 N 0.00 0.14 0.48 1.61 0.11 -1.92 -2.04 132.00 130.38 1ajb h PRO 171 Ca -0.09 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1ajb h PRO 171 Cb 0.41 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1ajb h PRO 171 CO 0.14 0.09 -0.23 1.03 -0.21 0.00 0.00 178.00 178.82 1ajb h SER 172 N 0.14 -0.55 0.04 -2.05 0.87 -1.97 0.86 113.55 110.89 1ajb h SER 172 Ca 0.50 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.97 1ajb h SER 172 Cb 0.97 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1ajb h SER 172 CO -0.69 -0.36 -0.27 0.00 -0.53 0.00 0.00 176.83 174.98 1ajb h ALA 173 N -0.20 1.18 -0.04 6.23 0.00 -1.82 -3.06 119.26 121.54 1ajb h ALA 173 Ca -0.07 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1ajb h ALA 173 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ajb h ALA 173 CO 0.11 0.53 -0.71 1.15 0.00 0.00 0.00 179.25 180.33 1ajb h THR 174 N 0.32 1.43 -0.58 0.00 2.02 -1.00 0.27 112.91 115.37 1ajb h THR 174 Ca 0.05 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 64.98 1ajb h THR 174 Cb 0.66 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 1ajb h THR 174 CO 0.05 0.65 0.25 0.28 0.37 0.00 0.00 175.52 177.12 1ajb h SER 175 N 0.15 0.78 0.84 4.18 0.02 -0.74 -0.56 113.55 118.22 1ajb h SER 175 Ca -0.02 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.54 1ajb h SER 175 Cb 1.26 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1ajb h SER 175 CO 0.11 0.71 -1.13 -0.08 -1.14 0.00 0.00 176.83 175.31 1ajb h GLU 176 N 0.79 0.10 0.00 3.45 4.81 -1.45 -3.34 114.58 118.94 1ajb h GLU 176 Ca 0.20 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1ajb h GLU 176 Cb 0.16 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ajb h GLU 176 CO -0.02 1.05 -1.38 1.63 -0.73 0.00 0.00 179.01 179.56 1ajb n LYS 177 N -3.40 1.06 -3.07 1.92 5.02 0.94 -4.70 118.16 115.93 1ajb n LYS 177 Ca -0.04 -0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 55.98 1ajb n LYS 177 Cb 0.98 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.77 1ajb n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ajb h PRO 179 N 2.99 0.00 0.00 0.00 0.13 -1.67 0.59 132.00 134.05 1ajb h PRO 179 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ajb h PRO 179 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ajb h PRO 179 CO 0.66 0.01 0.00 0.78 -0.23 0.00 0.00 178.00 179.22 1ajb h GLY 180 N 0.04 0.00 0.31 1.56 0.00 -1.91 -2.56 103.07 100.51 1ajb h GLY 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ajb h GLY 180 CO 0.00 0.00 -1.66 0.70 0.00 0.00 0.00 176.54 175.58 1ajb n ASN 181 N -3.02 0.28 -4.68 0.19 5.03 0.19 -4.13 115.26 109.14 1ajb n ASN 181 Ca 0.00 0.08 -0.46 0.00 0.87 0.00 0.00 54.58 55.07 1ajb n ASN 181 Cb 0.27 1.49 -0.04 0.00 -1.02 0.00 0.00 39.78 40.48 1ajb n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ajb n ALA 182 N -2.21 1.48 -0.29 5.41 0.00 -0.40 -0.21 120.51 124.29 1ajb n ALA 182 Ca -0.03 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1ajb n ALA 182 Cb 0.56 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.71 1ajb n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ajb h LEU 183 N 6.64 0.82 -0.45 0.00 5.85 -1.89 0.71 115.31 126.98 1ajb h LEU 183 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ajb h LEU 183 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ajb h LEU 183 CO 0.91 0.55 0.00 -1.84 -0.34 0.00 0.00 178.44 177.72 1ajb n GLU 184 N -4.62 0.14 -0.23 1.25 0.00 -1.26 -1.70 120.64 114.22 1ajb n GLU 184 Ca 0.10 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.72 1ajb n GLU 184 Cb 0.12 -1.75 0.27 0.00 0.00 0.00 0.00 31.44 30.07 1ajb n GLU 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ajb n LYS 185 N -2.01 2.35 -0.39 3.44 4.01 0.13 -4.95 118.16 120.74 1ajb n LYS 185 Ca 0.03 -2.07 0.00 0.00 -0.51 0.00 0.00 58.31 55.76 1ajb n LYS 185 Cb 0.22 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1ajb n LYS 185 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ajb n GLY 186 N 1.44 0.70 3.95 0.72 0.00 -0.69 -4.95 105.19 106.36 1ajb n GLY 186 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1ajb n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ajb s GLY 187 N -1.44 1.76 0.50 -0.02 0.00 -0.51 -4.98 107.32 102.64 1ajb s GLY 187 Ca 0.00 -1.36 0.29 0.00 0.00 0.00 0.00 44.72 43.65 1ajb s GLY 187 CO 0.00 -0.69 1.84 0.50 0.00 0.00 0.00 173.10 174.75 1ajb h LYS 188 N -1.18 0.00 0.00 2.90 1.57 -1.75 -3.38 116.57 114.74 1ajb h LYS 188 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1ajb h LYS 188 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ajb h LYS 188 CO 0.41 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.72 1ajb n GLY 189 N 0.43 0.89 3.80 3.86 0.00 0.71 -4.62 105.19 110.26 1ajb n GLY 189 Ca 0.02 -2.33 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 1ajb n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajb s SER 190 N 0.00 3.21 0.19 1.61 1.04 -1.26 -4.68 113.70 113.80 1ajb s SER 190 Ca 0.00 0.77 -0.13 0.00 0.48 0.00 0.00 55.95 57.06 1ajb s SER 190 Cb 0.00 -1.19 0.19 0.00 0.10 0.00 0.00 66.02 65.13 1ajb s SER 190 CO 0.00 -2.72 1.70 0.40 0.98 0.00 0.00 173.24 173.60 1ajb h ILE 191 N -1.62 0.66 -0.35 -1.02 2.04 -1.02 0.36 117.51 116.55 1ajb h ILE 191 Ca -0.48 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 1ajb h ILE 191 Cb 1.31 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1ajb h ILE 191 CO 0.54 0.03 -0.24 0.74 0.00 0.00 0.00 178.15 179.22 1ajb h THR 192 N 0.17 1.27 -0.13 -0.27 2.02 -1.33 -0.84 112.91 113.80 1ajb h THR 192 Ca 0.25 -1.34 -0.12 0.00 0.77 0.00 0.00 66.41 65.97 1ajb h THR 192 Cb 0.36 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1ajb h THR 192 CO -0.37 0.44 -0.44 -0.33 0.37 0.00 0.00 175.52 175.19 1ajb h GLU 193 N 0.61 0.30 -0.20 6.66 5.08 -1.54 -1.62 114.58 123.88 1ajb h GLU 193 Ca 0.08 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1ajb h GLU 193 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ajb h GLU 193 CO 0.06 0.68 -0.66 1.96 -1.00 0.00 0.00 179.01 180.05 1ajb h GLN 194 N 0.24 0.75 -0.34 2.33 4.20 -0.57 -1.94 115.11 119.78 1ajb h GLN 194 Ca 0.02 -0.54 0.02 0.00 0.06 0.00 0.00 58.65 58.20 1ajb h GLN 194 Cb 0.87 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1ajb h GLN 194 CO 0.07 1.16 0.19 1.25 -0.67 0.00 0.00 178.83 180.83 1ajb h LEU 195 N 0.54 0.29 -1.24 1.46 6.46 -0.97 0.17 115.31 122.02 1ajb h LEU 195 Ca -0.02 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.83 1ajb h LEU 195 Cb 1.27 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 1ajb h LEU 195 CO 0.14 0.21 0.55 -0.07 -0.62 0.00 0.00 178.44 178.65 1ajb h LEU 196 N 0.38 0.78 -0.10 2.25 -0.00 -1.12 -2.90 115.31 114.60 1ajb h LEU 196 Ca 0.14 0.01 -0.24 0.00 -0.00 0.00 0.00 57.88 57.79 1ajb h LEU 196 Cb 0.02 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1ajb h LEU 196 CO -0.08 0.49 -0.92 0.78 -0.00 0.00 0.00 178.44 178.71 1ajb h ASN 197 N 0.88 0.87 0.18 -0.43 2.35 -0.50 -3.30 115.58 115.62 1ajb h ASN 197 Ca 0.38 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1ajb h ASN 197 Cb 0.31 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ajb h ASN 197 CO -0.15 1.44 -0.04 0.00 -1.65 0.00 0.00 177.43 177.03 1ajb h ALA 198 N 0.52 1.30 -6.67 -0.83 0.00 -0.50 -3.47 119.26 109.61 1ajb h ALA 198 Ca -0.09 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.26 1ajb h ALA 198 Cb 1.56 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.36 1ajb h ALA 198 CO 0.18 0.05 -0.98 -2.13 0.00 0.00 0.00 179.25 176.37 1ajb n ARG 199 N -3.56 -0.69 -1.74 0.00 0.63 -1.18 -4.95 116.66 105.16 1ajb n ARG 199 Ca -0.02 0.29 -0.34 0.00 -0.92 0.00 0.00 57.85 56.86 1ajb n ARG 199 Cb 0.14 -3.05 0.06 0.00 0.45 0.00 0.00 32.46 30.06 1ajb n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ajb s ALA 200 N -3.44 2.38 0.18 5.13 0.00 -1.26 -4.95 121.76 119.80 1ajb s ALA 200 Ca 0.43 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1ajb s ALA 200 Cb -0.21 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.58 1ajb s ALA 200 CO 0.93 -1.42 1.48 -0.44 0.00 0.00 0.00 175.76 176.31 1ajb h ASP 201 N 0.19 0.70 -3.36 0.00 3.32 -1.65 -3.42 116.42 112.19 1ajb h ASP 201 Ca -0.48 -0.37 -0.50 0.00 0.02 0.00 0.00 57.03 55.69 1ajb h ASP 201 Cb 1.27 -0.20 -0.34 0.00 0.22 0.00 0.00 39.33 40.28 1ajb h ASP 201 CO 0.53 1.11 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.66 1ajb s VAL 202 N -4.02 1.02 -0.05 -1.35 1.01 -0.97 -0.42 120.40 115.60 1ajb s VAL 202 Ca -0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ajb s VAL 202 Cb 0.11 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1ajb s VAL 202 CO 0.85 0.34 -0.01 -0.89 0.00 0.00 0.00 175.10 175.40 1ajb s THR 203 N 0.98 0.33 -0.02 3.92 2.01 -0.18 -1.30 115.64 121.38 1ajb s THR 203 Ca -0.09 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1ajb s THR 203 Cb -0.15 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1ajb s THR 203 CO 0.00 0.22 0.00 -0.76 -0.69 0.00 0.00 174.62 173.39 1ajb s LEU 204 N 1.49 1.36 0.00 4.42 1.43 -0.60 -0.66 118.68 126.11 1ajb s LEU 204 Ca -0.03 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1ajb s LEU 204 Cb -0.13 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 45.93 1ajb s LEU 204 CO -0.03 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1ajb n GLY 205 N 3.87 -0.84 0.00 -3.19 0.00 -0.16 -1.06 105.19 103.81 1ajb n GLY 205 Ca -0.24 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ajb n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajb n GLY 206 N 0.00 1.87 0.80 -0.02 0.00 -0.79 -0.25 105.19 106.80 1ajb n GLY 206 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1ajb n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajb n GLY 207 N 5.00 1.31 0.26 -0.02 0.00 0.05 -1.41 105.19 110.38 1ajb n GLY 207 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.81 1ajb n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajb h ALA 208 N 0.00 1.07 0.26 4.61 0.00 -0.74 -3.32 119.26 121.13 1ajb h ALA 208 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ajb h ALA 208 Cb 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ajb h ALA 208 CO 0.00 0.13 -0.47 -0.22 0.00 0.00 0.00 179.25 178.69 1ajb h LYS 209 N 0.00 -0.77 -0.01 0.00 3.64 -1.47 -2.36 116.57 115.60 1ajb h LYS 209 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ajb h LYS 209 Cb 0.51 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1ajb h LYS 209 CO 0.01 -0.51 0.07 1.15 -2.27 0.00 0.00 179.45 177.90 1ajb h THR 210 N -0.80 0.07 0.00 1.00 2.02 -1.84 -0.87 112.91 112.50 1ajb h THR 210 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ajb h THR 210 Cb 0.76 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1ajb h THR 210 CO -0.19 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.19 1ajb n PHE 211 N -3.15 0.00 1.32 3.16 3.01 -0.89 -1.87 117.46 119.05 1ajb n PHE 211 Ca -0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.58 1ajb n PHE 211 Cb 0.14 -0.27 0.66 0.00 -0.01 0.00 0.00 39.48 40.00 1ajb n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ajb n ALA 212 N -1.27 2.61 -1.87 4.37 0.00 -0.33 -1.27 120.51 122.74 1ajb n ALA 212 Ca 0.10 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1ajb n ALA 212 Cb 0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1ajb n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ajb s GLU 213 N -2.64 3.81 -0.02 0.00 2.02 -0.78 -4.80 118.70 116.29 1ajb s GLU 213 Ca 0.25 0.85 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1ajb s GLU 213 Cb 0.20 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1ajb s GLU 213 CO 0.49 -0.37 -0.00 0.95 0.02 0.00 0.00 175.26 176.35 1ajb s THR 214 N -2.81 4.14 0.47 3.63 -4.23 -1.26 -0.69 115.64 114.89 1ajb s THR 214 Ca 0.57 -0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 1ajb s THR 214 Cb -0.10 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 1ajb s THR 214 CO 0.40 0.42 1.10 0.00 -0.54 0.00 0.00 174.62 175.99 1ajb s ALA 215 N -1.04 2.92 -0.71 3.99 0.00 -0.90 -4.78 121.76 121.24 1ajb s ALA 215 Ca 0.18 0.78 0.25 0.00 0.00 0.00 0.00 51.96 53.17 1ajb s ALA 215 Cb -0.11 -3.32 0.54 0.00 0.00 0.00 0.00 23.12 20.23 1ajb s ALA 215 CO 0.09 -0.49 1.50 0.25 0.00 0.00 0.00 175.76 177.11 1ajb n THR 216 N -0.65 0.39 -3.63 0.00 -2.24 -1.26 -1.68 114.28 105.21 1ajb n THR 216 Ca 0.08 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.54 1ajb n THR 216 Cb 0.50 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1ajb n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajb n ALA 217 N -1.78 -1.13 0.00 6.98 0.00 -1.26 -4.81 120.51 118.51 1ajb n ALA 217 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1ajb n ALA 217 Cb 0.43 0.77 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1ajb n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ajb n GLY 218 N -0.39 -2.18 0.23 0.00 0.00 -1.26 -3.54 105.19 98.05 1ajb n GLY 218 Ca -0.05 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.50 1ajb n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ajb h GLU 219 N 0.00 0.10 -0.42 1.61 4.81 -2.01 -2.61 114.58 116.06 1ajb h GLU 219 Ca 0.00 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.97 1ajb h GLU 219 Cb 0.00 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.22 1ajb h GLU 219 CO 0.00 0.27 -0.09 0.91 -0.73 0.00 0.00 179.01 179.37 1ajb n TRP 220 N -4.29 1.34 -1.67 0.92 8.01 -1.26 -5.01 117.44 115.48 1ajb n TRP 220 Ca -0.02 -1.74 -0.44 0.00 -1.31 0.00 0.00 57.50 54.00 1ajb n TRP 220 Cb 0.26 -0.54 -0.02 0.00 -2.01 0.00 0.00 31.31 29.01 1ajb n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1ajb n GLN 221 N -1.09 2.01 0.00 -0.99 7.27 -0.99 -1.43 117.38 122.16 1ajb n GLN 221 Ca 0.36 0.71 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1ajb n GLN 221 Cb 1.03 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1ajb n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ajb n GLY 222 N 1.55 2.99 3.89 1.69 0.00 -0.67 -4.91 105.19 109.73 1ajb n GLY 222 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ajb n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ajb s LYS 223 N -0.01 3.70 0.72 1.61 -0.14 -0.51 -4.81 119.74 120.28 1ajb s LYS 223 Ca 0.00 0.16 -0.11 0.00 -1.36 0.00 0.00 55.97 54.66 1ajb s LYS 223 Cb 0.00 -2.59 0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1ajb s LYS 223 CO 0.00 0.18 1.07 0.95 -0.76 0.00 0.00 175.35 176.79 1ajb s THR 224 N -2.10 3.77 0.34 2.17 -4.23 -1.26 -2.11 115.64 112.22 1ajb s THR 224 Ca 0.46 0.59 0.14 0.00 -1.18 0.00 0.00 61.69 61.70 1ajb s THR 224 Cb -0.11 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.59 1ajb s THR 224 CO 0.29 -0.73 1.80 -0.07 -0.54 0.00 0.00 174.62 175.36 1ajb h LEU 225 N -0.79 0.00 -0.03 4.79 3.38 -0.79 0.04 115.31 121.91 1ajb h LEU 225 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ajb h LEU 225 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ajb h LEU 225 CO 0.55 0.40 0.02 -0.09 0.09 0.00 0.00 178.44 179.41 1ajb h ARG 226 N 0.00 0.04 -0.73 1.13 2.43 -1.45 0.52 114.38 116.32 1ajb h ARG 226 Ca -0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ajb h ARG 226 Cb 0.73 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1ajb h ARG 226 CO 0.05 0.05 0.47 0.93 -1.51 0.00 0.00 179.97 179.95 1ajb h GLU 227 N 0.03 0.89 -0.16 0.20 5.08 -1.69 -2.33 114.58 116.60 1ajb h GLU 227 Ca 0.01 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1ajb h GLU 227 Cb 0.01 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 1ajb h GLU 227 CO -0.00 0.59 -0.15 0.37 -1.00 0.00 0.00 179.01 178.82 1ajb h GLN 228 N 0.92 -0.16 -0.83 2.33 4.15 -0.66 0.20 115.11 121.06 1ajb h GLN 228 Ca 0.29 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.85 1ajb h GLN 228 Cb -0.00 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.63 1ajb h GLN 228 CO -0.10 -0.11 0.43 0.00 -1.93 0.00 0.00 178.83 177.12 1ajb h ALA 229 N 0.92 1.22 -0.23 3.38 0.00 -0.38 0.41 119.26 124.59 1ajb h ALA 229 Ca 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ajb h ALA 229 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ajb h ALA 229 CO -0.27 -0.05 -0.04 0.93 0.00 0.00 0.00 179.25 179.82 1ajb h GLU 230 N 0.65 0.43 0.00 0.00 5.08 -0.88 -1.66 114.58 118.19 1ajb h GLU 230 Ca 0.44 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ajb h GLU 230 Cb 0.57 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ajb h GLU 230 CO -0.33 0.65 -0.03 0.00 -1.00 0.00 0.00 179.01 178.30 1ajb h ALA 231 N 0.76 1.48 -0.47 3.43 0.00 0.59 -1.56 119.26 123.49 1ajb h ALA 231 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ajb h ALA 231 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ajb h ALA 231 CO 0.02 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1ajb n ARG 232 N -3.82 2.67 -0.38 0.00 1.74 0.02 -4.93 116.66 111.95 1ajb n ARG 232 Ca -0.03 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 1ajb n ARG 232 Cb 0.12 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1ajb n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajb n GLY 233 N 1.01 0.76 3.76 -0.13 0.00 -0.59 -4.98 105.19 105.02 1ajb n GLY 233 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ajb n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ajb s TYR 234 N -2.35 3.65 -0.38 1.61 1.51 -0.67 -3.93 117.35 116.80 1ajb s TYR 234 Ca 0.00 1.76 -0.20 0.00 -1.01 0.00 0.00 57.07 57.62 1ajb s TYR 234 Cb 0.00 -3.13 0.01 0.00 -0.11 0.00 0.00 41.96 38.73 1ajb s TYR 234 CO 0.00 -0.18 0.64 -0.65 -1.11 0.00 0.00 175.55 174.24 1ajb s GLN 235 N -1.63 3.58 -0.14 -0.62 -0.21 0.43 -4.57 119.66 116.49 1ajb s GLN 235 Ca 0.47 -0.05 -0.07 0.00 0.02 0.00 0.00 55.36 55.73 1ajb s GLN 235 Cb -0.27 -3.84 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 1ajb s GLN 235 CO 0.34 -0.81 0.09 -0.51 -2.12 0.00 0.00 175.29 172.28 1ajb s LEU 236 N 2.74 4.03 0.02 2.90 1.02 -1.26 -1.12 118.68 127.02 1ajb s LEU 236 Ca 0.24 0.25 0.04 0.00 0.02 0.00 0.00 54.13 54.68 1ajb s LEU 236 Cb -0.14 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 1ajb s LEU 236 CO 0.16 0.30 -0.11 0.68 0.02 0.00 0.00 176.35 177.39 1ajb s VAL 237 N -0.36 0.88 -0.04 -1.59 -7.23 -0.96 -5.00 120.40 106.09 1ajb s VAL 237 Ca 0.10 -0.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1ajb s VAL 237 Cb -0.12 -0.80 0.10 0.00 0.56 0.00 0.00 36.38 36.12 1ajb s VAL 237 CO 0.02 0.01 0.96 -1.54 -0.31 0.00 0.00 175.10 174.24 1ajb n SER 238 N 2.16 1.24 -3.91 4.85 3.41 -1.26 -1.61 113.62 118.50 1ajb n SER 238 Ca -0.17 -2.19 -0.08 0.00 -0.26 0.00 0.00 58.87 56.17 1ajb n SER 238 Cb 0.55 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1ajb n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1ajb s ASP 239 N -1.46 -0.19 0.20 4.04 1.47 -1.26 -4.61 116.67 114.86 1ajb s ASP 239 Ca 0.11 -0.74 -0.11 0.00 1.18 0.00 0.00 52.55 52.99 1ajb s ASP 239 Cb 0.09 0.66 0.20 0.00 -0.34 0.00 0.00 42.92 43.54 1ajb s ASP 239 CO 0.01 -1.25 1.79 0.00 0.68 0.00 0.00 175.17 176.40 1ajb h ALA 240 N 2.11 0.77 0.19 2.11 0.00 -1.13 -1.30 119.26 122.02 1ajb h ALA 240 Ca -0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ajb h ALA 240 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ajb h ALA 240 CO 0.29 -0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 1ajb h ALA 241 N 1.32 -0.32 -0.51 0.00 0.00 -1.89 -1.13 119.26 116.74 1ajb h ALA 241 Ca 0.27 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ajb h ALA 241 Cb 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ajb h ALA 241 CO -0.19 -0.70 -0.01 0.66 0.00 0.00 0.00 179.25 179.02 1ajb h SER 242 N -0.35 0.89 -0.67 0.00 4.64 -1.96 -0.85 113.55 115.26 1ajb h SER 242 Ca -0.01 -0.31 0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1ajb h SER 242 Cb 0.31 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.06 1ajb h SER 242 CO -0.01 0.99 0.16 0.25 -0.87 0.00 0.00 176.83 177.34 1ajb h LEU 243 N 0.77 0.02 -0.44 5.97 5.85 -1.08 -0.67 115.31 125.73 1ajb h LEU 243 Ca 0.14 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1ajb h LEU 243 Cb 0.54 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ajb h LEU 243 CO 0.03 -0.01 0.00 0.78 -0.34 0.00 0.00 178.44 178.90 1ajb h ASN 244 N 0.27 0.00 1.22 1.25 4.21 -0.09 -2.28 115.58 120.17 1ajb h ASN 244 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1ajb h ASN 244 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1ajb h ASN 244 CO -0.45 0.00 0.00 0.28 -1.29 0.00 0.00 177.43 175.97 1ajb h SER 245 N 0.00 0.00 -2.56 5.81 0.02 0.20 -3.45 113.55 113.57 1ajb h SER 245 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1ajb h SER 245 Cb 0.71 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1ajb h SER 245 CO 0.00 0.00 1.11 -0.69 -1.14 0.00 0.00 176.83 176.11 1ajb s VAL 246 N -3.38 3.31 -0.06 2.27 1.01 -0.86 -4.89 120.40 117.79 1ajb s VAL 246 Ca 0.05 0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.62 1ajb s VAL 246 Cb 0.09 -3.31 -0.23 0.00 0.00 0.00 0.00 36.38 32.93 1ajb s VAL 246 CO 0.54 -0.03 0.58 0.41 0.00 0.00 0.00 175.10 176.59 1ajb n THR 247 N 5.32 1.61 -3.68 3.92 -1.04 -1.26 -4.98 114.28 114.16 1ajb n THR 247 Ca 0.18 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.05 61.27 1ajb n THR 247 Cb 0.42 -1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 1ajb n THR 247 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1ajb s GLU 248 N -2.58 0.90 -0.05 -2.82 -6.30 -1.26 -4.96 118.70 101.63 1ajb s GLU 248 Ca -0.07 -0.38 -0.02 0.00 -2.50 0.00 0.00 54.97 52.00 1ajb s GLU 248 Cb 0.08 0.40 0.03 0.00 0.00 0.00 0.00 34.13 34.64 1ajb s GLU 248 CO 0.82 -0.31 0.11 0.00 0.02 0.00 0.00 175.26 175.91 1ajb s ALA 249 N -2.48 -0.20 0.05 6.30 0.00 -1.26 -4.91 121.76 119.27 1ajb s ALA 249 Ca -0.05 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1ajb s ALA 249 Cb -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1ajb s ALA 249 CO -0.02 -0.12 0.16 0.27 0.00 0.00 0.00 175.76 176.04 1ajb n ASN 250 N 3.92 -0.36 0.22 0.00 0.23 -0.81 -4.84 115.26 113.61 1ajb n ASN 250 Ca -0.23 -1.22 0.15 0.00 -0.53 0.00 0.00 54.58 52.74 1ajb n ASN 250 Cb 0.53 0.59 0.64 0.00 -2.08 0.00 0.00 39.78 39.46 1ajb n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ajb h GLN 251 N 0.00 0.00 0.13 -3.83 1.08 -1.92 0.08 115.11 110.65 1ajb h GLN 251 Ca -0.05 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.85 1ajb h GLN 251 Cb 0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ajb h GLN 251 CO 0.07 0.00 -1.51 1.96 -0.95 0.00 0.00 178.83 178.40 1ajb h GLN 252 N 0.00 0.28 -2.96 1.46 7.50 -1.95 -3.40 115.11 116.03 1ajb h GLN 252 Ca 0.00 -0.48 -0.62 0.00 0.50 0.00 0.00 58.65 58.06 1ajb h GLN 252 Cb 0.40 0.18 -0.41 0.00 0.05 0.00 0.00 27.48 27.69 1ajb h GLN 252 CO 0.00 1.23 -0.64 1.63 -1.50 0.00 0.00 178.83 179.55 1ajb n LYS 253 N -3.83 1.58 -2.50 1.46 4.01 -1.14 -4.80 118.16 112.94 1ajb n LYS 253 Ca -0.25 -4.28 -0.39 0.00 -0.51 0.00 0.00 58.31 52.88 1ajb n LYS 253 Cb 0.95 -2.19 -0.04 0.00 -0.51 0.00 0.00 35.03 33.24 1ajb n LYS 253 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1ajb s PRO 254 N -1.24 4.41 -0.17 1.97 0.04 0.00 -1.93 135.00 138.08 1ajb s PRO 254 Ca 0.26 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1ajb s PRO 254 Cb -0.03 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 1ajb s PRO 254 CO -0.17 0.04 0.30 -1.17 0.04 0.00 0.00 177.00 176.03 1ajb s LEU 255 N -2.01 4.22 -0.22 -3.56 2.96 0.43 -0.43 118.68 120.08 1ajb s LEU 255 Ca 0.51 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1ajb s LEU 255 Cb -0.28 -2.37 0.05 0.00 0.50 0.00 0.00 46.19 44.10 1ajb s LEU 255 CO 0.35 0.08 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.16 1ajb s LEU 256 N 0.60 2.55 -0.26 -0.68 2.96 -0.28 -1.01 118.68 122.56 1ajb s LEU 256 Ca 0.16 -1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 1ajb s LEU 256 Cb -0.13 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1ajb s LEU 256 CO 0.04 -0.20 0.06 -0.83 -1.32 0.00 0.00 176.35 174.10 1ajb s GLY 257 N 1.37 1.75 -0.40 7.98 0.00 0.17 -2.27 107.32 115.92 1ajb s GLY 257 Ca -0.05 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.49 1ajb s GLY 257 CO -0.07 0.55 0.13 1.08 0.00 0.00 0.00 173.10 174.79 1ajb s LEU 258 N 1.57 4.83 0.00 0.66 1.43 -0.63 -0.98 118.68 125.55 1ajb s LEU 258 Ca 0.06 -2.29 0.24 0.00 -1.03 0.00 0.00 54.13 51.10 1ajb s LEU 258 Cb -0.15 -1.69 0.36 0.00 0.03 0.00 0.00 46.19 44.74 1ajb s LEU 258 CO 0.02 -0.39 1.37 0.49 0.23 0.00 0.00 176.35 178.07 1ajb n PHE 259 N 4.12 0.34 -3.56 0.29 3.72 0.65 -4.37 117.46 118.65 1ajb n PHE 259 Ca 0.03 -0.17 -0.12 0.00 -0.05 0.00 0.00 57.45 57.14 1ajb n PHE 259 Cb 0.40 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 1ajb n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ajb s ALA 260 N -1.66 -1.88 0.23 4.37 0.00 -1.26 -4.94 121.76 116.62 1ajb s ALA 260 Ca 0.35 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 1ajb s ALA 260 Cb 0.22 -0.43 0.21 0.00 0.00 0.00 0.00 23.12 23.11 1ajb s ALA 260 CO 0.31 -0.36 1.85 -0.44 0.00 0.00 0.00 175.76 177.12 1ajb h ASP 261 N 2.59 1.13 0.00 0.00 5.19 -1.92 -0.66 116.42 122.74 1ajb h ASP 261 Ca -0.21 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1ajb h ASP 261 Cb 1.17 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1ajb h ASP 261 CO 0.33 0.91 0.00 0.61 -3.12 0.00 0.00 179.24 177.97 1ajb n GLY 262 N -1.12 3.14 3.77 2.75 0.00 -1.26 -1.41 105.19 111.06 1ajb n GLY 262 Ca 0.09 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1ajb n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ajb s ASN 263 N 0.75 5.88 0.63 1.61 0.01 -1.26 -0.77 114.94 121.78 1ajb s ASN 263 Ca 0.00 2.30 -0.15 0.00 -0.71 0.00 0.00 52.86 54.30 1ajb s ASN 263 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1ajb s ASN 263 CO 0.00 -1.12 1.09 -0.04 -1.51 0.00 0.00 177.10 175.52 1ajb s MET 264 N -2.96 3.02 0.45 -0.60 -1.94 -0.53 -4.93 119.30 111.82 1ajb s MET 264 Ca 0.68 1.32 -0.25 0.00 -1.71 0.00 0.00 55.69 55.73 1ajb s MET 264 Cb -0.28 -1.98 -0.08 0.00 2.01 0.00 0.00 34.83 34.49 1ajb s MET 264 CO 0.33 -1.06 1.40 -0.35 -0.01 0.00 0.00 175.02 175.33 1ajb n PRO 265 N -2.24 2.17 -2.62 2.03 -0.04 -1.26 -4.98 135.00 128.06 1ajb n PRO 265 Ca 0.10 0.77 -0.33 0.00 -0.04 0.00 0.00 63.50 64.00 1ajb n PRO 265 Cb 0.52 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 31.34 1ajb n PRO 265 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ajb s VAL 266 N -1.20 4.43 0.11 0.52 1.01 -1.26 -4.91 120.40 119.10 1ajb s VAL 266 Ca 0.62 1.35 -0.10 0.00 0.00 0.00 0.00 61.98 63.85 1ajb s VAL 266 Cb -0.46 -3.64 -0.17 0.00 0.00 0.00 0.00 36.38 32.11 1ajb s VAL 266 CO 0.57 -0.48 1.31 -0.09 0.00 0.00 0.00 175.10 176.41 1ajb h ARG 267 N 1.45 0.67 -5.40 2.72 2.43 -1.88 -3.43 114.38 110.95 1ajb h ARG 267 Ca -0.48 -0.60 -0.51 0.00 -0.81 0.00 0.00 59.98 57.58 1ajb h ARG 267 Cb 1.18 0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.58 1ajb h ARG 267 CO 0.61 1.21 -0.82 -1.58 -1.51 0.00 0.00 179.97 177.88 1ajb s TRP 268 N -3.59 1.39 -0.01 2.20 0.51 -1.26 -0.70 118.94 117.48 1ajb s TRP 268 Ca -0.09 -0.28 -0.02 0.00 -2.12 0.00 0.00 56.10 53.60 1ajb s TRP 268 Cb 0.09 -0.90 -0.04 0.00 -0.81 0.00 0.00 33.47 31.81 1ajb s TRP 268 CO 0.89 -0.04 0.13 -0.51 -0.51 0.00 0.00 176.95 176.92 1ajb s LEU 269 N -0.32 4.14 0.10 2.99 1.02 0.37 -3.86 118.68 123.13 1ajb s LEU 269 Ca 0.05 0.25 -0.25 0.00 0.02 0.00 0.00 54.13 54.20 1ajb s LEU 269 Cb -0.06 -2.44 0.08 0.00 0.02 0.00 0.00 46.19 43.78 1ajb s LEU 269 CO -0.00 0.27 0.73 -0.83 0.02 0.00 0.00 176.35 176.53 1ajb s GLY 270 N -1.83 -0.53 0.79 -3.19 0.00 -1.26 -2.67 107.32 98.63 1ajb s GLY 270 Ca 0.25 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.50 1ajb s GLY 270 CO 0.16 0.21 1.11 2.56 0.00 0.00 0.00 173.10 177.14 1ajb s PRO 271 N -3.51 2.08 0.74 2.90 0.05 -1.26 -4.90 135.00 131.11 1ajb s PRO 271 Ca 0.03 1.27 -0.11 0.00 0.05 0.00 0.00 61.00 62.25 1ajb s PRO 271 Cb -0.01 -1.87 0.04 0.00 0.05 0.00 0.00 34.50 32.71 1ajb s PRO 271 CO -0.10 -1.79 1.08 0.15 0.05 0.00 0.00 177.00 176.39 1ajb s LYS 272 N -4.77 2.48 0.74 4.56 1.02 -1.26 -4.54 119.74 117.96 1ajb s LYS 272 Ca 0.63 1.12 -0.11 0.00 0.02 0.00 0.00 55.97 57.63 1ajb s LYS 272 Cb -0.19 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1ajb s LYS 272 CO 0.55 -1.47 1.07 0.00 -0.92 0.00 0.00 175.35 174.58 1ajb s ALA 273 N -2.92 2.47 0.06 5.17 0.00 0.86 -4.98 121.76 122.41 1ajb s ALA 273 Ca 0.60 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 1ajb s ALA 273 Cb -0.16 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ajb s ALA 273 CO 0.55 -1.48 0.07 0.99 0.00 0.00 0.00 175.76 175.89 1ajb s THR 274 N -3.01 0.18 0.09 0.00 2.01 -0.46 -4.74 115.64 109.70 1ajb s THR 274 Ca 0.59 -1.44 -0.31 0.00 0.31 0.00 0.00 61.69 60.84 1ajb s THR 274 Cb -0.15 -1.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.96 1ajb s THR 274 CO 0.55 -0.80 1.64 -0.47 -0.69 0.00 0.00 174.62 174.86 1ajb s TYR 275 N -3.61 2.53 -1.57 4.92 5.04 -1.26 -0.27 117.35 123.13 1ajb s TYR 275 Ca 0.04 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1ajb s TYR 275 Cb 0.05 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1ajb s TYR 275 CO -0.09 -3.80 0.00 0.72 -1.34 0.00 0.00 175.55 171.04 1ajb n HIS 276 N 5.32 -0.82 -0.33 4.97 8.25 -1.26 -4.88 115.22 126.47 1ajb n HIS 276 Ca 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1ajb n HIS 276 Cb 0.40 -3.25 0.22 0.00 1.12 0.00 0.00 29.99 28.48 1ajb n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ajb h GLY 277 N 0.00 1.49 2.00 -1.41 0.00 -1.36 0.97 103.07 104.75 1ajb h GLY 277 Ca -0.38 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1ajb h GLY 277 CO 0.49 0.10 0.00 3.45 0.00 0.00 0.00 176.54 180.57 1ajb h ASN 278 N 0.85 0.00 0.00 0.19 -1.07 -1.83 -0.99 115.58 112.72 1ajb h ASN 278 Ca 0.46 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.51 1ajb h ASN 278 Cb 0.50 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.69 1ajb h ASN 278 CO -0.28 0.00 -2.22 2.30 0.07 0.00 0.00 177.43 177.29 1ajb n ILE 279 N -3.09 1.22 0.96 6.14 -0.00 -0.15 -4.66 119.36 119.78 1ajb n ILE 279 Ca 0.01 -0.66 0.12 0.00 -0.00 0.00 0.00 62.75 62.22 1ajb n ILE 279 Cb 0.31 -0.79 0.26 0.00 -0.00 0.00 0.00 39.64 39.42 1ajb n ILE 279 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1ajb n ASP 280 N -2.82 0.49 -4.16 7.28 9.92 0.16 -4.90 116.55 122.52 1ajb n ASP 280 Ca -0.32 -0.18 -0.17 0.00 -0.53 0.00 0.00 54.79 53.59 1ajb n ASP 280 Cb 1.02 0.22 -0.12 0.00 -0.64 0.00 0.00 41.12 41.60 1ajb n ASP 280 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ajb s LYS 281 N -3.02 0.80 1.10 -1.24 3.01 -0.38 -5.01 119.74 115.00 1ajb s LYS 281 Ca 0.11 -0.99 -0.12 0.00 -1.01 0.00 0.00 55.97 53.95 1ajb s LYS 281 Cb 0.17 -0.69 0.25 0.00 -1.01 0.00 0.00 37.83 36.55 1ajb s LYS 281 CO 0.69 0.14 1.05 -1.25 0.51 0.00 0.00 175.35 176.50 1ajb s PRO 282 N -2.02 -0.43 0.41 -1.68 0.04 -1.26 -4.65 135.00 125.42 1ajb s PRO 282 Ca -0.01 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.67 1ajb s PRO 282 Cb -0.08 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1ajb s PRO 282 CO 0.02 -3.40 1.05 0.00 0.04 0.00 0.00 177.00 174.71 1ajb s ALA 283 N -2.58 3.05 0.04 8.56 0.00 -1.26 -4.69 121.76 124.88 1ajb s ALA 283 Ca 0.68 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 1ajb s ALA 283 Cb -0.23 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1ajb s ALA 283 CO 0.62 -0.25 0.38 0.08 0.00 0.00 0.00 175.76 176.59 1ajb s VAL 284 N -1.70 5.12 -0.18 0.00 1.01 0.67 -4.78 120.40 120.53 1ajb s VAL 284 Ca 0.59 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1ajb s VAL 284 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ajb s VAL 284 CO 0.27 0.38 -0.13 -0.89 0.00 0.00 0.00 175.10 174.72 1ajb s THR 285 N -1.30 2.69 0.80 3.92 2.01 -1.26 -0.95 115.64 121.55 1ajb s THR 285 Ca 0.29 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1ajb s THR 285 Cb -0.14 -2.16 0.08 0.00 0.01 0.00 0.00 72.50 70.28 1ajb s THR 285 CO 0.16 0.50 1.15 0.00 -0.69 0.00 0.00 174.62 175.73 1ajb s THR 287 N -2.47 0.47 0.31 0.00 -1.32 -1.09 -4.97 115.64 106.56 1ajb s THR 287 Ca 0.68 -0.85 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 1ajb s THR 287 Cb -0.23 -0.52 -0.13 0.00 -1.51 0.00 0.00 72.50 70.11 1ajb s THR 287 CO 0.52 -0.27 1.25 -2.65 -2.21 0.00 0.00 174.62 171.26 1ajb n PRO 288 N 1.84 1.91 -2.64 7.08 -0.02 -1.26 -0.48 135.00 141.43 1ajb n PRO 288 Ca -0.20 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1ajb n PRO 288 Cb 0.56 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1ajb n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ajb s ASN 289 N -0.25 6.98 0.60 2.55 2.47 0.13 -4.60 114.94 122.82 1ajb s ASN 289 Ca 0.59 1.15 0.30 0.00 0.42 0.00 0.00 52.86 55.31 1ajb s ASN 289 Cb -0.62 -2.54 1.73 0.00 -1.45 0.00 0.00 41.25 38.37 1ajb s ASN 289 CO 0.59 -0.82 2.13 -0.65 -3.72 0.00 0.00 177.10 174.63 1ajb h PRO 290 N 7.92 0.00 -0.00 0.43 0.11 -1.92 -1.22 132.00 137.31 1ajb h PRO 290 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1ajb h PRO 290 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ajb h PRO 290 CO 1.02 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 179.83 1ajb n GLN 291 N -3.73 0.10 -0.02 1.05 1.13 -1.26 -4.15 117.38 110.49 1ajb n GLN 291 Ca 0.00 -0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1ajb n GLN 291 Cb 0.27 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1ajb n GLN 291 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1ajb h ARG 292 N 0.01 -0.11 0.00 -1.09 0.11 -1.47 -3.46 114.38 108.37 1ajb h ARG 292 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1ajb h ARG 292 Cb 0.45 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ajb h ARG 292 CO 0.00 -0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.09 1ajb n ASN 293 N -5.26 -0.09 0.12 0.08 3.02 -1.26 -4.28 115.26 107.60 1ajb n ASN 293 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1ajb n ASN 293 Cb 0.18 0.60 0.30 0.00 -0.61 0.00 0.00 39.78 40.25 1ajb n ASN 293 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1ajb h ASP 294 N 0.00 0.00 0.00 6.41 3.58 -1.94 -3.24 116.42 121.23 1ajb h ASP 294 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ajb h ASP 294 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ajb h ASP 294 CO 0.00 0.02 -1.06 -1.54 -2.88 0.00 0.00 179.24 173.78 1ajb n SER 295 N -2.43 0.92 -4.60 2.28 3.41 -1.26 -4.82 113.62 107.11 1ajb n SER 295 Ca 0.05 -0.92 -0.36 0.00 -0.26 0.00 0.00 58.87 57.38 1ajb n SER 295 Cb 0.46 1.07 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 1ajb n SER 295 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ajb s VAL 296 N -3.01 4.97 0.38 -3.33 1.01 -1.23 -0.53 120.40 118.66 1ajb s VAL 296 Ca 0.07 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1ajb s VAL 296 Cb 0.16 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 1ajb s VAL 296 CO 0.86 0.37 1.40 -2.16 0.00 0.00 0.00 175.10 175.57 1ajb s PRO 297 N 1.01 4.11 0.60 2.72 0.04 -1.26 -4.79 135.00 137.43 1ajb s PRO 297 Ca 0.06 2.39 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1ajb s PRO 297 Cb -0.14 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ajb s PRO 297 CO 0.04 -0.46 0.95 0.95 0.04 0.00 0.00 177.00 178.52 1ajb s THR 298 N -1.15 4.17 0.21 1.26 -4.23 -1.26 -4.88 115.64 109.76 1ajb s THR 298 Ca 0.53 0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 61.33 1ajb s THR 298 Cb -0.43 -3.66 0.14 0.00 1.34 0.00 0.00 72.50 69.89 1ajb s THR 298 CO 0.57 -0.77 1.75 0.25 -0.54 0.00 0.00 174.62 175.88 1ajb h LEU 299 N -0.24 0.23 -1.74 4.79 5.85 -1.95 -0.63 115.31 121.62 1ajb h LEU 299 Ca -0.45 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ajb h LEU 299 Cb 1.23 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ajb h LEU 299 CO 0.62 0.14 -0.17 0.00 -0.34 0.00 0.00 178.44 178.69 1ajb h ALA 300 N 1.41 1.56 -0.00 1.25 0.00 -1.87 0.15 119.26 121.76 1ajb h ALA 300 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ajb h ALA 300 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ajb h ALA 300 CO -0.30 0.21 -0.01 1.96 0.00 0.00 0.00 179.25 181.11 1ajb h GLN 301 N 0.00 0.00 -0.77 0.00 4.20 -1.54 -1.65 115.11 115.35 1ajb h GLN 301 Ca -0.00 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1ajb h GLN 301 Cb 0.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1ajb h GLN 301 CO 0.02 0.77 0.46 0.52 -0.67 0.00 0.00 178.83 179.93 1ajb h MET 302 N -0.76 0.81 -0.58 1.46 2.86 -0.97 0.59 114.93 118.35 1ajb h MET 302 Ca -0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1ajb h MET 302 Cb 0.77 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 1ajb h MET 302 CO 0.00 0.53 0.33 1.15 1.06 0.00 0.00 176.91 179.99 1ajb h THR 303 N 0.83 1.03 -0.32 2.22 2.02 -0.96 0.43 112.91 118.15 1ajb h THR 303 Ca 0.34 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 67.16 1ajb h THR 303 Cb 0.19 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1ajb h THR 303 CO -0.18 0.12 -0.33 -0.78 0.37 0.00 0.00 175.52 174.72 1ajb h ASP 304 N 0.65 0.85 -0.32 4.18 3.58 -0.33 -0.18 116.42 124.85 1ajb h ASP 304 Ca 0.24 -0.47 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 1ajb h ASP 304 Cb 0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1ajb h ASP 304 CO -0.12 1.14 -0.13 0.50 -2.88 0.00 0.00 179.24 177.75 1ajb h LYS 305 N 0.56 0.65 -0.36 0.28 1.63 -0.78 -1.77 116.57 116.79 1ajb h LYS 305 Ca 0.05 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1ajb h LYS 305 Cb 0.91 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 1ajb h LYS 305 CO 0.08 0.86 0.21 0.00 -3.45 0.00 0.00 179.45 177.15 1ajb h ALA 306 N 0.78 0.45 -0.81 5.00 0.00 -0.79 -1.30 119.26 122.59 1ajb h ALA 306 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ajb h ALA 306 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ajb h ALA 306 CO 0.04 -0.14 0.41 0.82 0.00 0.00 0.00 179.25 180.39 1ajb h ILE 307 N 0.43 1.25 -0.07 0.00 2.04 -0.94 -1.05 117.51 119.15 1ajb h ILE 307 Ca 0.14 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ajb h ILE 307 Cb 0.00 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1ajb h ILE 307 CO -0.06 0.29 0.05 -0.08 0.00 0.00 0.00 178.15 178.34 1ajb h GLU 308 N 1.13 0.10 -0.45 2.37 4.81 -0.82 0.44 114.58 122.16 1ajb h GLU 308 Ca 0.28 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1ajb h GLU 308 Cb 0.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ajb h GLU 308 CO -0.04 0.10 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.14 1ajb h LEU 309 N 0.07 0.84 -0.04 1.64 3.38 -1.07 -3.19 115.31 116.93 1ajb h LEU 309 Ca 0.03 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1ajb h LEU 309 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ajb h LEU 309 CO -0.01 0.98 -0.50 -0.07 0.09 0.00 0.00 178.44 178.94 1ajb h LEU 310 N 0.75 0.00 0.00 1.67 4.07 -1.00 -3.24 115.31 117.56 1ajb h LEU 310 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1ajb h LEU 310 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1ajb h LEU 310 CO 0.04 0.50 0.00 -1.54 -1.08 0.00 0.00 178.44 176.36 1ajb n SER 311 N -3.23 0.00 0.20 -0.43 3.41 0.13 -2.34 113.62 111.36 1ajb n SER 311 Ca 0.02 0.30 0.07 0.00 -0.26 0.00 0.00 58.87 59.00 1ajb n SER 311 Cb 0.73 -0.42 0.39 0.00 -0.26 0.00 0.00 64.21 64.65 1ajb n SER 311 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ajb h LYS 312 N 0.00 0.00 -6.26 4.33 1.79 -1.67 -3.42 116.57 111.34 1ajb h LYS 312 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 1ajb h LYS 312 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1ajb h LYS 312 CO 0.00 0.31 1.12 1.21 -1.08 0.00 0.00 179.45 181.01 1ajb s ASN 313 N -6.34 6.50 0.30 0.86 3.84 -0.99 -4.86 114.94 114.26 1ajb s ASN 313 Ca 0.00 2.01 0.02 0.00 0.21 0.00 0.00 52.86 55.10 1ajb s ASN 313 Cb 0.11 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.84 1ajb s ASN 313 CO 0.67 -1.10 1.89 -0.33 -2.79 0.00 0.00 177.10 175.44 1ajb h GLU 314 N 10.25 0.95 0.00 0.43 5.08 -1.90 -2.76 114.58 126.63 1ajb h GLU 314 Ca -0.37 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ajb h GLU 314 Cb 1.17 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1ajb h GLU 314 CO 0.97 0.63 0.00 0.87 -1.00 0.00 0.00 179.01 180.48 1ajb h LYS 315 N 0.98 0.00 0.00 2.33 1.79 -1.89 -3.49 116.57 116.29 1ajb h LYS 315 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1ajb h LYS 315 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ajb h LYS 315 CO -0.17 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 1ajb n GLY 316 N 0.51 0.88 3.39 3.86 0.00 -1.04 -4.88 105.19 107.90 1ajb n GLY 316 Ca 0.02 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 1ajb n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ajb s PHE 317 N -0.98 -0.08 -0.07 1.61 -0.12 -1.20 -0.76 117.98 116.39 1ajb s PHE 317 Ca 0.00 -0.26 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 1ajb s PHE 317 Cb 0.00 0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1ajb s PHE 317 CO 0.00 -0.77 -0.13 0.12 -0.05 0.00 0.00 175.22 174.39 1ajb s PHE 318 N -3.85 1.50 -0.05 3.49 5.36 -0.46 -1.08 117.98 122.90 1ajb s PHE 318 Ca 0.07 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1ajb s PHE 318 Cb 0.01 -1.10 0.01 0.00 -0.34 0.00 0.00 43.02 41.61 1ajb s PHE 318 CO -0.07 -0.28 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.16 1ajb s LEU 319 N 0.65 1.54 -0.13 6.12 2.96 0.03 -1.18 118.68 128.67 1ajb s LEU 319 Ca -0.15 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1ajb s LEU 319 Cb -0.16 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 1ajb s LEU 319 CO 0.04 0.00 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.41 1ajb s GLN 320 N 0.66 3.41 -0.11 1.98 0.74 -0.73 -0.73 119.66 124.88 1ajb s GLN 320 Ca -0.11 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.73 1ajb s GLN 320 Cb -0.13 -2.76 0.02 0.00 1.10 0.00 0.00 33.01 31.24 1ajb s GLN 320 CO 0.01 0.31 -0.14 0.08 -0.55 0.00 0.00 175.29 175.00 1ajb s VAL 321 N 0.15 1.38 -0.20 1.34 1.01 0.20 -1.00 120.40 123.28 1ajb s VAL 321 Ca -0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ajb s VAL 321 Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1ajb s VAL 321 CO 0.04 0.42 -0.13 -0.70 0.00 0.00 0.00 175.10 174.73 1ajb s GLU 322 N 1.10 3.17 -1.04 2.72 2.12 -0.34 -0.15 118.70 126.29 1ajb s GLU 322 Ca -0.05 -0.74 -0.19 0.00 0.36 0.00 0.00 54.97 54.36 1ajb s GLU 322 Cb -0.14 -2.76 0.12 0.00 0.26 0.00 0.00 34.13 31.60 1ajb s GLU 322 CO -0.03 -0.19 1.31 0.20 -0.54 0.00 0.00 175.26 176.01 1ajb s GLY 323 N 1.35 1.85 0.20 -1.50 0.00 0.10 -2.55 107.32 106.77 1ajb s GLY 323 Ca 0.05 -2.78 -0.02 0.00 0.00 0.00 0.00 44.72 41.96 1ajb s GLY 323 CO -0.08 2.23 1.54 0.00 0.00 0.00 0.00 173.10 176.79 1ajb h ALA 324 N 8.62 0.76 -0.08 3.20 0.00 -1.90 -2.20 119.26 127.66 1ajb h ALA 324 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ajb h ALA 324 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ajb h ALA 324 CO 1.24 0.67 0.00 0.43 0.00 0.00 0.00 179.25 181.59 1ajb n SER 325 N -3.98 1.62 -0.14 0.00 7.64 -1.26 -3.75 113.62 113.75 1ajb n SER 325 Ca -0.03 -1.60 -0.03 0.00 1.01 0.00 0.00 58.87 58.23 1ajb n SER 325 Cb 0.57 -0.04 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 1ajb n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ajb h ILE 326 N 2.38 0.64 -0.67 0.44 2.04 -1.74 -1.34 117.51 119.26 1ajb h ILE 326 Ca 0.00 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ajb h ILE 326 Cb 0.51 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1ajb h ILE 326 CO 0.00 0.02 0.44 -0.78 0.00 0.00 0.00 178.15 177.83 1ajb h ASP 327 N 0.11 0.76 -0.11 1.72 3.58 -1.12 -0.93 116.42 120.43 1ajb h ASP 327 Ca 0.23 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.52 1ajb h ASP 327 Cb 0.34 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1ajb h ASP 327 CO -0.38 0.55 -0.41 0.11 -2.88 0.00 0.00 179.24 176.22 1ajb h LYS 328 N 0.90 0.64 0.00 0.28 1.57 -1.48 -0.13 116.57 118.34 1ajb h LYS 328 Ca 0.25 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1ajb h LYS 328 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ajb h LYS 328 CO -0.06 0.94 -0.69 1.96 -0.57 0.00 0.00 179.45 181.03 1ajb h GLN 329 N 0.53 0.00 -0.49 3.15 1.08 -1.26 -0.68 115.11 117.43 1ajb h GLN 329 Ca 0.04 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 1ajb h GLN 329 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1ajb h GLN 329 CO 0.08 0.69 -0.18 0.22 -0.95 0.00 0.00 178.83 178.70 1ajb h ASP 330 N 0.00 1.00 -0.53 1.46 1.82 -0.98 -0.50 116.42 118.70 1ajb h ASP 330 Ca -0.01 -0.36 0.02 0.00 -0.39 0.00 0.00 57.03 56.29 1ajb h ASP 330 Cb 1.51 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 41.21 1ajb h ASP 330 CO 0.09 1.15 0.32 0.45 -1.61 0.00 0.00 179.24 179.64 1ajb h HIS 331 N 0.86 0.60 0.00 0.28 3.86 -0.86 -2.32 115.15 117.57 1ajb h HIS 331 Ca 0.12 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1ajb h HIS 331 Cb 0.75 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1ajb h HIS 331 CO 0.05 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.19 1ajb n ALA 332 N -2.27 2.23 -3.97 2.45 0.00 -0.28 -1.13 120.51 117.53 1ajb n ALA 332 Ca 0.04 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1ajb n ALA 332 Cb 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1ajb n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ajb n ALA 333 N -0.99 -1.76 -3.93 0.00 0.00 -0.86 -4.73 120.51 108.24 1ajb n ALA 333 Ca 0.14 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1ajb n ALA 333 Cb 0.07 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.05 1ajb n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ajb s ASN 334 N -4.01 4.55 0.17 0.00 3.84 -0.25 -0.10 114.94 119.14 1ajb s ASN 334 Ca 0.24 -2.78 -0.17 0.00 0.21 0.00 0.00 52.86 50.36 1ajb s ASN 334 Cb -0.13 -1.67 0.11 0.00 -0.55 0.00 0.00 41.25 39.02 1ajb s ASN 334 CO 0.88 -0.29 1.66 -0.65 -2.79 0.00 0.00 177.10 175.91 1ajb h PRO 335 N 6.85 -0.02 -0.65 0.43 0.11 -1.82 -1.87 132.00 135.02 1ajb h PRO 335 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1ajb h PRO 335 Cb 0.93 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 1ajb h PRO 335 CO 0.66 -0.01 0.39 0.00 -0.21 0.00 0.00 178.00 178.82 1ajb h GLY 337 N 0.89 0.84 0.92 0.00 0.00 -1.59 -0.58 103.07 103.55 1ajb h GLY 337 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1ajb h GLY 337 CO -0.04 0.25 -0.09 -1.61 0.00 0.00 0.00 176.54 175.04 1ajb h GLN 338 N 0.73 -0.25 -0.38 4.80 4.15 -0.56 -2.59 115.11 121.01 1ajb h GLN 338 Ca 0.23 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 1ajb h GLN 338 Cb -0.00 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1ajb h GLN 338 CO -0.09 -0.10 -0.12 0.82 -1.93 0.00 0.00 178.83 177.41 1ajb h ILE 339 N -0.34 1.28 -0.95 2.39 2.04 -0.76 -2.36 117.51 118.82 1ajb h ILE 339 Ca -0.03 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.67 1ajb h ILE 339 Cb 0.26 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1ajb h ILE 339 CO 0.04 0.40 0.62 1.23 0.00 0.00 0.00 178.15 180.45 1ajb h GLY 340 N 0.55 1.38 2.00 5.37 0.00 -1.12 -0.26 103.07 110.99 1ajb h GLY 340 Ca 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1ajb h GLY 340 CO 0.04 0.38 -0.50 0.83 0.00 0.00 0.00 176.54 177.30 1ajb h GLU 341 N 1.17 0.00 -0.36 4.80 4.39 -1.24 -0.53 114.58 122.81 1ajb h GLU 341 Ca 0.38 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.94 1ajb h GLU 341 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ajb h GLU 341 CO -0.13 0.50 -0.34 1.15 -1.16 0.00 0.00 179.01 179.03 1ajb h THR 342 N 0.00 1.28 -0.59 1.13 2.02 -0.65 -1.65 112.91 114.45 1ajb h THR 342 Ca -0.00 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 1ajb h THR 342 Cb 0.94 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1ajb h THR 342 CO 0.06 0.50 0.22 0.58 0.37 0.00 0.00 175.52 177.25 1ajb h VAL 343 N 0.67 1.23 -0.49 3.16 2.07 -0.92 -1.13 116.25 120.83 1ajb h VAL 343 Ca 0.06 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1ajb h VAL 343 Cb 0.92 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1ajb h VAL 343 CO 0.09 0.29 0.18 -0.78 0.02 0.00 0.00 177.57 177.37 1ajb h ASP 344 N 0.83 0.20 -0.42 0.57 3.58 -1.08 -2.39 116.42 117.71 1ajb h ASP 344 Ca 0.20 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.56 1ajb h ASP 344 Cb 0.24 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1ajb h ASP 344 CO -0.01 0.14 -0.28 0.25 -2.88 0.00 0.00 179.24 176.46 1ajb h LEU 345 N 0.37 0.98 -0.71 2.28 5.85 -0.64 -2.79 115.31 120.64 1ajb h LEU 345 Ca 0.23 -0.43 0.14 0.00 0.84 0.00 0.00 57.88 58.67 1ajb h LEU 345 Cb 0.24 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 1ajb h LEU 345 CO -0.23 1.20 0.22 -0.78 -0.34 0.00 0.00 178.44 178.50 1ajb h ASP 346 N 0.77 0.12 -0.85 1.25 3.58 -1.02 0.47 116.42 120.74 1ajb h ASP 346 Ca 0.09 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.73 1ajb h ASP 346 Cb 0.86 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.99 1ajb h ASP 346 CO 0.08 0.03 0.51 -0.33 -2.88 0.00 0.00 179.24 176.65 1ajb h GLU 347 N 0.34 0.88 -0.67 0.28 5.08 -1.17 -0.88 114.58 118.44 1ajb h GLU 347 Ca 0.39 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1ajb h GLU 347 Cb 0.62 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1ajb h GLU 347 CO -0.44 0.58 0.10 0.00 -1.00 0.00 0.00 179.01 178.25 1ajb h ALA 348 N 1.43 0.91 -0.48 3.43 0.00 -0.87 -2.67 119.26 121.01 1ajb h ALA 348 Ca 0.39 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ajb h ALA 348 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ajb h ALA 348 CO -0.20 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.02 1ajb h VAL 349 N 1.03 1.24 -0.42 0.00 2.07 -0.55 -1.91 116.25 117.71 1ajb h VAL 349 Ca 0.20 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1ajb h VAL 349 Cb 0.45 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ajb h VAL 349 CO 0.01 0.34 0.17 1.56 0.02 0.00 0.00 177.57 179.67 1ajb h GLN 350 N 0.73 0.63 0.11 1.57 4.20 -0.84 -0.77 115.11 120.74 1ajb h GLN 350 Ca 0.15 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1ajb h GLN 350 Cb 0.41 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1ajb h GLN 350 CO 0.01 0.59 -0.15 0.00 -0.67 0.00 0.00 178.83 178.62 1ajb h ARG 351 N 0.54 -0.30 -0.74 1.46 2.47 -1.37 0.46 114.38 116.90 1ajb h ARG 351 Ca 0.14 0.02 0.12 0.00 -1.26 0.00 0.00 59.98 59.00 1ajb h ARG 351 Cb 0.20 0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.50 1ajb h ARG 351 CO -0.01 -0.20 0.34 0.00 0.56 0.00 0.00 179.97 180.66 1ajb h ALA 352 N 0.54 1.04 -0.33 0.04 0.00 -1.13 -1.42 119.26 118.00 1ajb h ALA 352 Ca 0.01 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1ajb h ALA 352 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ajb h ALA 352 CO -0.06 -0.11 -0.42 1.25 0.00 0.00 0.00 179.25 179.90 1ajb h LEU 353 N 0.54 0.88 -0.72 0.00 5.85 -0.94 -1.26 115.31 119.67 1ajb h LEU 353 Ca 0.39 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1ajb h LEU 353 Cb 0.50 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ajb h LEU 353 CO -0.33 1.18 0.11 -0.33 -0.34 0.00 0.00 178.44 178.73 1ajb h GLU 354 N 0.66 1.09 0.31 1.25 4.39 0.00 -1.12 114.58 121.17 1ajb h GLU 354 Ca 0.05 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1ajb h GLU 354 Cb 1.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1ajb h GLU 354 CO 0.10 0.99 -0.15 0.35 -1.16 0.00 0.00 179.01 179.14 1ajb h PHE 355 N 1.02 -0.39 -0.70 4.33 3.57 -1.12 -2.84 116.94 120.80 1ajb h PHE 355 Ca 0.20 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1ajb h PHE 355 Cb 0.43 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1ajb h PHE 355 CO 0.03 -0.09 0.46 0.00 -2.23 0.00 0.00 178.31 176.48 1ajb h ALA 356 N -0.09 1.73 -0.26 2.41 0.00 -1.17 -0.33 119.26 121.55 1ajb h ALA 356 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1ajb h ALA 356 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ajb h ALA 356 CO 0.07 0.16 -0.36 -0.22 0.00 0.00 0.00 179.25 178.90 1ajb h LYS 357 N 0.72 0.57 0.11 0.00 3.64 -1.20 -0.76 116.57 119.66 1ajb h LYS 357 Ca 0.30 -0.27 -0.30 0.00 -1.27 0.00 0.00 60.65 59.11 1ajb h LYS 357 Cb 0.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1ajb h LYS 357 CO -0.10 0.85 -1.53 1.57 -2.27 0.00 0.00 179.45 177.98 1ajb h LYS 358 N 0.48 0.23 -0.34 1.90 2.10 -1.03 -3.33 116.57 116.58 1ajb h LYS 358 Ca 0.05 -0.39 -0.12 0.00 -2.00 0.00 0.00 60.65 58.19 1ajb h LYS 358 Cb 0.85 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 1ajb h LYS 358 CO 0.07 1.09 -0.27 1.49 -2.00 0.00 0.00 179.45 179.83 1ajb h GLU 359 N 0.06 0.70 0.00 0.07 4.22 -1.09 -3.48 114.58 115.06 1ajb h GLU 359 Ca -0.24 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 58.90 1ajb h GLU 359 Cb 2.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1ajb h GLU 359 CO 0.16 0.89 0.00 0.41 -2.18 0.00 0.00 179.01 178.29 1ajb n GLY 360 N -0.20 2.48 1.43 1.92 0.00 -0.30 -4.84 105.19 105.69 1ajb n GLY 360 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1ajb n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ajb n ASN 361 N 0.00 1.42 -4.46 1.61 3.02 -1.26 -4.84 115.26 110.75 1ajb n ASN 361 Ca 0.00 -2.58 -0.33 0.00 -0.03 0.00 0.00 54.58 51.64 1ajb n ASN 361 Cb 0.00 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.66 1ajb n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ajb s THR 362 N -1.44 3.19 -0.16 3.41 2.01 -1.26 0.05 115.64 121.43 1ajb s THR 362 Ca 0.35 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1ajb s THR 362 Cb 0.38 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1ajb s THR 362 CO -0.12 0.57 0.25 -0.22 -0.69 0.00 0.00 174.62 174.41 1ajb s LEU 363 N -0.36 4.25 -0.16 4.42 2.96 -0.51 -4.23 118.68 125.04 1ajb s LEU 363 Ca 0.04 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1ajb s LEU 363 Cb -0.12 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 1ajb s LEU 363 CO 0.02 0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 1ajb s VAL 364 N 0.34 2.86 -0.05 1.68 1.01 -0.22 -1.08 120.40 124.94 1ajb s VAL 364 Ca 0.15 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1ajb s VAL 364 Cb -0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ajb s VAL 364 CO 0.03 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 174.78 1ajb s ILE 365 N 0.86 1.84 -0.16 2.22 1.09 -0.37 -1.32 121.20 125.36 1ajb s ILE 365 Ca -0.04 -0.94 0.00 0.00 -1.10 0.00 0.00 60.65 58.57 1ajb s ILE 365 Cb -0.15 -1.56 0.03 0.00 -1.06 0.00 0.00 42.46 39.72 1ajb s ILE 365 CO -0.00 0.51 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.57 1ajb s VAL 366 N -0.06 1.35 0.00 2.92 1.01 0.06 -0.35 120.40 125.33 1ajb s VAL 366 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1ajb s VAL 366 Cb -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1ajb s VAL 366 CO 0.03 0.28 0.00 1.07 0.00 0.00 0.00 175.10 176.49 1ajb n THR 367 N 4.81 0.00 -4.10 3.92 5.66 -0.78 -1.68 114.28 122.12 1ajb n THR 367 Ca -0.14 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 1ajb n THR 367 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1ajb n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ajb s ALA 368 N -1.22 0.66 -0.06 1.79 0.00 -1.26 -0.97 121.76 120.70 1ajb s ALA 368 Ca 0.00 -1.08 0.25 0.00 0.00 0.00 0.00 51.96 51.13 1ajb s ALA 368 Cb 0.00 0.16 0.77 0.00 0.00 0.00 0.00 23.12 24.04 1ajb s ALA 368 CO 0.00 -0.21 1.76 0.38 0.00 0.00 0.00 175.76 177.69 1ajb h ASP 369 N 3.59 0.00 -5.71 0.00 2.03 -1.93 -3.49 116.42 110.92 1ajb h ASP 369 Ca -0.35 0.00 0.34 0.00 -0.73 0.00 0.00 57.03 56.29 1ajb h ASP 369 Cb 1.17 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.54 1ajb h ASP 369 CO 0.56 0.15 0.87 -1.38 -1.03 0.00 0.00 179.24 178.42 1ajb s HIS 370 N -3.44 -0.04 0.65 4.15 -3.43 -1.26 -4.84 115.29 107.08 1ajb s HIS 370 Ca 0.03 -0.04 -0.00 0.00 -0.80 0.00 0.00 55.06 54.25 1ajb s HIS 370 Cb 0.08 0.53 0.13 0.00 -1.43 0.00 0.00 32.58 31.89 1ajb s HIS 370 CO 0.64 -0.20 0.89 0.00 -2.00 0.00 0.00 174.74 174.07 1ajb n ALA 371 N -0.46 0.15 -3.00 -1.38 0.00 -1.06 -3.92 120.51 110.84 1ajb n ALA 371 Ca -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1ajb n ALA 371 Cb 0.63 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1ajb n ALA 371 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ajb n HIS 372 N -2.71 -0.02 0.07 0.00 -0.00 -1.26 -2.06 115.22 109.25 1ajb n HIS 372 Ca 0.15 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 58.10 1ajb n HIS 372 Cb 0.52 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.24 1ajb n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ajb h ALA 373 N 1.15 -0.03 -2.85 1.57 0.00 -1.85 -3.36 119.26 113.89 1ajb h ALA 373 Ca 0.00 -0.88 -0.52 0.00 0.00 0.00 0.00 54.91 53.51 1ajb h ALA 373 Cb 0.00 0.24 0.09 0.00 0.00 0.00 0.00 17.79 18.12 1ajb h ALA 373 CO 0.00 0.64 0.58 -1.54 0.00 0.00 0.00 179.25 178.93 1ajb s SER 374 N -7.22 6.10 0.01 0.00 1.04 -1.26 -4.62 113.70 107.76 1ajb s SER 374 Ca -0.14 2.58 0.03 0.00 0.48 0.00 0.00 55.95 58.90 1ajb s SER 374 Cb 0.03 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1ajb s SER 374 CO 0.86 -0.99 -0.09 -1.10 0.98 0.00 0.00 173.24 172.90 1ajb s GLN 375 N -2.47 0.65 -0.30 4.02 -0.21 -0.11 -4.76 119.66 116.48 1ajb s GLN 375 Ca 0.61 -0.47 -0.19 0.00 0.02 0.00 0.00 55.36 55.33 1ajb s GLN 375 Cb -0.36 -0.60 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 1ajb s GLN 375 CO 0.45 0.15 0.58 0.42 -2.12 0.00 0.00 175.29 174.77 1ajb s ILE 376 N -0.56 4.99 0.43 1.08 1.01 -1.26 -0.49 121.20 126.40 1ajb s ILE 376 Ca -0.00 0.81 0.05 0.00 0.00 0.00 0.00 60.65 61.51 1ajb s ILE 376 Cb -0.05 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1ajb s ILE 376 CO 0.00 -0.07 0.02 0.68 0.00 0.00 0.00 174.94 175.56 1ajb s VAL 377 N 2.49 1.65 0.57 2.92 -7.23 -0.84 -5.00 120.40 114.96 1ajb s VAL 377 Ca 0.23 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.21 1ajb s VAL 377 Cb -0.15 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1ajb s VAL 377 CO 0.11 0.00 1.16 0.00 -0.31 0.00 0.00 175.10 176.06 1ajb s ALA 378 N -2.82 2.63 0.42 1.32 0.00 -1.26 -3.96 121.76 118.09 1ajb s ALA 378 Ca 0.27 0.88 0.13 0.00 0.00 0.00 0.00 51.96 53.24 1ajb s ALA 378 Cb 0.07 -3.39 0.99 0.00 0.00 0.00 0.00 23.12 20.79 1ajb s ALA 378 CO 0.14 -0.94 1.98 -1.35 0.00 0.00 0.00 175.76 175.59 1ajb h PRO 379 N 1.03 0.44 -0.56 0.00 0.11 -1.94 -1.06 132.00 130.03 1ajb h PRO 379 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ajb h PRO 379 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ajb h PRO 379 CO 0.56 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1ajb n ASP 380 N -4.47 2.60 -4.74 -2.05 5.75 -1.26 -4.81 116.55 107.57 1ajb n ASP 380 Ca 0.10 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.25 1ajb n ASP 380 Cb 0.34 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1ajb n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ajb s THR 381 N -1.68 2.37 -0.59 2.12 2.01 -0.40 -4.96 115.64 114.51 1ajb s THR 381 Ca 0.26 0.30 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 1ajb s THR 381 Cb 0.16 -3.19 0.15 0.00 0.01 0.00 0.00 72.50 69.64 1ajb s THR 381 CO 0.13 0.04 0.50 -0.54 -0.69 0.00 0.00 174.62 174.06 1ajb s LYS 382 N -0.07 2.90 0.24 4.92 1.02 -1.26 -4.85 119.74 122.64 1ajb s LYS 382 Ca 0.64 -2.00 0.07 0.00 0.02 0.00 0.00 55.97 54.70 1ajb s LYS 382 Cb -0.45 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.69 1ajb s LYS 382 CO 0.42 -1.25 0.14 0.00 -0.92 0.00 0.00 175.35 173.73 1ajb s ALA 383 N 0.98 3.47 -0.26 5.17 0.00 -1.26 -5.03 121.76 124.84 1ajb s ALA 383 Ca 0.09 -1.44 0.25 0.00 0.00 0.00 0.00 51.96 50.86 1ajb s ALA 383 Cb -0.23 -1.18 0.60 0.00 0.00 0.00 0.00 23.12 22.31 1ajb s ALA 383 CO -0.02 0.30 1.70 -1.00 0.00 0.00 0.00 175.76 176.74 1ajb h PRO 384 N 1.76 0.00 0.00 0.00 0.13 -1.96 -3.41 132.00 128.51 1ajb h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ajb h PRO 384 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ajb h PRO 384 CO 0.61 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1ajb n GLY 385 N 0.80 1.51 3.72 1.56 0.00 -1.26 -4.97 105.19 106.55 1ajb n GLY 385 Ca 0.03 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1ajb n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajb s LEU 386 N 0.00 4.21 0.13 0.99 1.43 -0.46 -4.06 118.68 120.92 1ajb s LEU 386 Ca 0.00 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1ajb s LEU 386 Cb 0.00 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1ajb s LEU 386 CO 0.00 0.11 -0.10 0.42 0.23 0.00 0.00 176.35 177.01 1ajb s THR 387 N 0.56 1.10 -0.11 5.49 -4.23 0.62 -0.94 115.64 118.14 1ajb s THR 387 Ca 0.13 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1ajb s THR 387 Cb -0.12 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 72.02 1ajb s THR 387 CO 0.02 -0.71 0.44 -1.58 -0.54 0.00 0.00 174.62 172.25 1ajb s GLN 388 N -3.54 0.64 -0.07 3.99 0.74 -0.84 -1.35 119.66 119.24 1ajb s GLN 388 Ca 0.14 0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.84 1ajb s GLN 388 Cb 0.01 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.39 1ajb s GLN 388 CO 0.00 -0.14 0.07 0.00 -0.55 0.00 0.00 175.29 174.68 1ajb s ALA 389 N -0.44 3.58 -0.01 1.58 0.00 -1.26 -1.72 121.76 123.48 1ajb s ALA 389 Ca -0.06 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1ajb s ALA 389 Cb -0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 1ajb s ALA 389 CO 0.03 0.63 -0.12 -0.51 0.00 0.00 0.00 175.76 175.79 1ajb s LEU 390 N -1.20 1.98 -0.39 0.00 1.43 0.37 -0.24 118.68 120.62 1ajb s LEU 390 Ca 0.17 -0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1ajb s LEU 390 Cb -0.12 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.49 1ajb s LEU 390 CO 0.07 0.14 0.87 0.20 0.23 0.00 0.00 176.35 177.85 1ajb s ASN 391 N -0.19 6.58 0.71 2.29 0.02 -0.13 -1.38 114.94 122.85 1ajb s ASN 391 Ca 0.03 0.36 -0.06 0.00 -1.02 0.00 0.00 52.86 52.17 1ajb s ASN 391 Cb -0.06 -2.43 0.08 0.00 0.02 0.00 0.00 41.25 38.86 1ajb s ASN 391 CO -0.00 -0.86 1.01 0.42 0.02 0.00 0.00 177.10 177.69 1ajb s THR 392 N 3.39 2.28 0.54 1.60 -4.23 0.27 -4.81 115.64 114.68 1ajb s THR 392 Ca 0.35 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1ajb s THR 392 Cb -0.12 -2.95 0.44 0.00 1.34 0.00 0.00 72.50 71.21 1ajb s THR 392 CO 0.20 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 176.71 1ajb h LYS 393 N -0.60 0.00 -0.00 3.99 3.11 -1.27 0.19 116.57 121.99 1ajb h LYS 393 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1ajb h LYS 393 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 1ajb h LYS 393 CO 0.55 0.00 -0.00 -0.25 -2.81 0.00 0.00 179.45 176.94 1ajb n ASP 394 N -4.25 0.19 -1.15 4.20 8.00 -1.26 -4.86 116.55 117.42 1ajb n ASP 394 Ca 0.14 -0.98 -0.10 0.00 0.71 0.00 0.00 54.79 54.56 1ajb n ASP 394 Cb 0.80 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1ajb n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ajb n GLY 395 N 1.05 0.01 3.48 0.44 0.00 0.68 -5.01 105.19 105.84 1ajb n GLY 395 Ca 0.22 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1ajb n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajb s ALA 396 N -2.51 2.58 -0.15 4.61 0.00 -1.25 -4.92 121.76 120.12 1ajb s ALA 396 Ca 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 1ajb s ALA 396 Cb 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1ajb s ALA 396 CO 0.00 -0.31 0.10 0.08 0.00 0.00 0.00 175.76 175.63 1ajb s VAL 397 N -3.27 5.11 -0.07 0.00 1.01 -1.26 -0.56 120.40 121.36 1ajb s VAL 397 Ca 0.32 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1ajb s VAL 397 Cb 0.07 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1ajb s VAL 397 CO 0.15 0.53 -0.24 -0.32 0.00 0.00 0.00 175.10 175.21 1ajb s MET 398 N -0.25 2.59 -0.08 2.72 0.00 -0.48 -4.91 119.30 118.89 1ajb s MET 398 Ca 0.09 -0.86 0.01 0.00 0.00 0.00 0.00 55.69 54.93 1ajb s MET 398 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 34.83 32.56 1ajb s MET 398 CO 0.01 0.31 -0.08 0.08 0.00 0.00 0.00 175.02 175.34 1ajb s VAL 399 N -0.00 3.59 0.02 10.11 1.01 -1.25 -0.48 120.40 133.39 1ajb s VAL 399 Ca -0.08 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ajb s VAL 399 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1ajb s VAL 399 CO 0.05 0.58 -0.22 -0.04 0.00 0.00 0.00 175.10 175.47 1ajb s MET 400 N -0.59 1.61 -0.00 2.72 -1.94 -0.70 -1.98 119.30 118.41 1ajb s MET 400 Ca 0.09 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1ajb s MET 400 Cb -0.12 -1.67 -0.01 0.00 2.01 0.00 0.00 34.83 35.04 1ajb s MET 400 CO 0.02 0.44 -0.13 0.45 -0.01 0.00 0.00 175.02 175.79 1ajb s SER 401 N -0.95 1.54 -0.26 3.03 0.15 0.36 -1.98 113.70 115.60 1ajb s SER 401 Ca 0.09 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1ajb s SER 401 Cb -0.09 -0.16 0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1ajb s SER 401 CO 0.01 0.15 -0.00 -0.31 1.20 0.00 0.00 173.24 174.28 1ajb s TYR 402 N -0.36 2.26 -0.05 3.44 1.51 -0.11 -0.94 117.35 123.09 1ajb s TYR 402 Ca 0.05 -1.79 0.11 0.00 -1.01 0.00 0.00 57.07 54.43 1ajb s TYR 402 Cb -0.05 -1.69 0.21 0.00 -0.11 0.00 0.00 41.96 40.31 1ajb s TYR 402 CO -0.00 -0.79 1.10 0.41 -1.11 0.00 0.00 175.55 175.15 1ajb n GLY 403 N 4.70 2.09 0.93 0.71 0.00 -1.26 -1.36 105.19 111.00 1ajb n GLY 403 Ca -0.08 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.42 1ajb n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ajb n ASN 404 N -0.32 3.66 -3.65 1.61 0.23 -1.26 -4.81 115.26 110.71 1ajb n ASN 404 Ca 0.07 -2.47 -0.14 0.00 -0.53 0.00 0.00 54.58 51.51 1ajb n ASN 404 Cb 0.79 -0.42 -0.08 0.00 -2.08 0.00 0.00 39.78 37.99 1ajb n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ajb s SER 405 N -1.33 -0.63 0.06 0.53 0.15 -1.26 -4.58 113.70 106.65 1ajb s SER 405 Ca 0.36 1.14 0.23 0.00 0.70 0.00 0.00 55.95 58.38 1ajb s SER 405 Cb 0.24 1.15 0.05 0.00 -1.71 0.00 0.00 66.02 65.75 1ajb s SER 405 CO 0.15 -0.27 1.03 -0.62 1.20 0.00 0.00 173.24 174.73 1ajb n GLU 406 N 2.49 0.31 -0.96 5.44 1.02 -1.26 -4.93 120.64 122.75 1ajb n GLU 406 Ca -0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.98 1ajb n GLU 406 Cb 0.56 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1ajb n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ajb n GLU 407 N -2.00 0.73 -0.20 3.49 -0.58 -1.26 -4.98 120.64 115.84 1ajb n GLU 407 Ca 0.02 -0.26 0.30 0.00 -0.42 0.00 0.00 57.16 56.79 1ajb n GLU 407 Cb 0.44 -0.04 0.73 0.00 -0.57 0.00 0.00 31.44 31.99 1ajb n GLU 407 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1ajb h ASP 408 N -0.03 0.00 -3.97 1.62 5.19 -1.98 -3.42 116.42 113.84 1ajb h ASP 408 Ca -0.03 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.01 1ajb h ASP 408 Cb 0.11 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 39.34 1ajb h ASP 408 CO 0.03 0.00 -0.77 -0.55 -3.12 0.00 0.00 179.24 174.83 1ajb s SER 409 N -5.26 0.89 0.35 6.45 0.15 -1.26 -4.88 113.70 110.14 1ajb s SER 409 Ca -0.05 -0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.20 1ajb s SER 409 Cb 0.21 -0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.31 1ajb s SER 409 CO 0.73 0.09 1.07 -1.10 1.20 0.00 0.00 173.24 175.24 1ajb s GLN 410 N -0.14 4.37 0.40 5.44 -1.52 -0.29 -4.74 119.66 123.19 1ajb s GLN 410 Ca 0.02 1.65 -0.02 0.00 -1.95 0.00 0.00 55.36 55.07 1ajb s GLN 410 Cb -0.03 -2.83 -0.03 0.00 -0.22 0.00 0.00 33.01 29.89 1ajb s GLN 410 CO -0.00 0.01 0.64 -1.21 -0.25 0.00 0.00 175.29 174.48 1ajb s GLU 411 N -2.02 3.46 0.69 2.91 2.02 -1.26 -4.49 118.70 120.01 1ajb s GLU 411 Ca 0.52 -0.16 -0.12 0.00 0.02 0.00 0.00 54.97 55.23 1ajb s GLU 411 Cb -0.27 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1ajb s GLU 411 CO 0.34 -0.02 1.07 -1.01 0.02 0.00 0.00 175.26 175.66 1ajb s HIS 412 N -2.49 2.97 0.25 1.61 3.76 -1.26 -2.72 115.29 117.41 1ajb s HIS 412 Ca 0.43 1.47 0.08 0.00 -0.15 0.00 0.00 55.06 56.89 1ajb s HIS 412 Cb -0.10 -2.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 1ajb s HIS 412 CO 0.39 -1.33 -0.12 0.95 -0.85 0.00 0.00 174.74 173.79 1ajb s THR 413 N -2.88 1.82 -2.46 1.30 -4.23 -0.87 -4.86 115.64 103.45 1ajb s THR 413 Ca 0.60 -2.21 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 1ajb s THR 413 Cb -0.15 -2.26 0.43 0.00 1.34 0.00 0.00 72.50 71.86 1ajb s THR 413 CO 0.51 -0.44 1.51 0.61 -0.54 0.00 0.00 174.62 176.28 1ajb n GLY 414 N -0.51 0.65 3.75 3.99 0.00 -1.26 -2.55 105.19 109.26 1ajb n GLY 414 Ca -0.06 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1ajb n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ajb s SER 415 N -1.69 5.27 0.75 1.61 0.15 -1.26 -4.87 113.70 113.66 1ajb s SER 415 Ca 0.34 2.81 -0.13 0.00 0.70 0.00 0.00 55.95 59.67 1ajb s SER 415 Cb 0.20 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1ajb s SER 415 CO 0.29 -1.58 1.15 0.00 1.20 0.00 0.00 173.24 174.31 1ajb s GLN 416 N -2.88 2.12 0.25 5.44 -2.07 -1.26 -4.28 119.66 116.98 1ajb s GLN 416 Ca 0.71 1.52 -0.11 0.00 -1.82 0.00 0.00 55.36 55.67 1ajb s GLN 416 Cb -0.42 -1.85 -0.01 0.00 -1.09 0.00 0.00 33.01 29.64 1ajb s GLN 416 CO 0.49 -1.80 0.44 -0.48 -1.32 0.00 0.00 175.29 172.62 1ajb s LEU 417 N -5.48 0.45 0.35 2.60 0.05 -1.02 -4.87 118.68 110.76 1ajb s LEU 417 Ca 0.69 -1.02 -0.29 0.00 0.05 0.00 0.00 54.13 53.56 1ajb s LEU 417 Cb -0.24 1.59 -0.11 0.00 -2.05 0.00 0.00 46.19 45.38 1ajb s LEU 417 CO 0.48 -1.12 1.52 -1.14 -0.55 0.00 0.00 176.35 175.55 1ajb n ARG 418 N -0.38 2.67 -4.20 1.48 0.63 -1.26 -1.24 116.66 114.36 1ajb n ARG 418 Ca -0.01 0.94 -0.18 0.00 -0.92 0.00 0.00 57.85 57.68 1ajb n ARG 418 Cb 0.62 -2.69 -0.15 0.00 0.45 0.00 0.00 32.46 30.69 1ajb n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1ajb s ILE 419 N -0.73 0.51 0.09 5.15 2.07 -0.88 -4.28 121.20 123.12 1ajb s ILE 419 Ca 0.57 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.64 1ajb s ILE 419 Cb -0.49 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 1ajb s ILE 419 CO 0.59 0.18 -0.10 0.00 -1.91 0.00 0.00 174.94 173.70 1ajb s ALA 420 N 0.35 1.03 0.16 1.50 0.00 -0.67 -1.32 121.76 122.81 1ajb s ALA 420 Ca -0.04 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 1ajb s ALA 420 Cb -0.08 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1ajb s ALA 420 CO -0.00 -0.04 0.38 0.00 0.00 0.00 0.00 175.76 176.10 1ajb s ALA 421 N -2.30 -0.48 -0.14 0.00 0.00 0.11 -0.76 121.76 118.19 1ajb s ALA 421 Ca 0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1ajb s ALA 421 Cb -0.04 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.94 1ajb s ALA 421 CO -0.00 -0.69 0.35 -0.47 0.00 0.00 0.00 175.76 174.94 1ajb s TYR 422 N -3.90 -0.48 0.00 0.00 5.04 -0.44 -2.46 117.35 115.10 1ajb s TYR 422 Ca 0.11 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1ajb s TYR 422 Cb 0.02 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1ajb s TYR 422 CO -0.03 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.30 1ajb n GLY 423 N 4.10 -0.10 3.71 8.97 0.00 -1.26 -1.05 105.19 119.55 1ajb n GLY 423 Ca -0.23 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.10 1ajb n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ajb n PRO 424 N 0.00 2.21 -0.91 1.61 -0.02 -1.26 -1.92 135.00 134.71 1ajb n PRO 424 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1ajb n PRO 424 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1ajb n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ajb n HIS 425 N 0.55 0.00 0.28 6.00 8.25 -0.08 -4.60 115.22 125.61 1ajb n HIS 425 Ca 0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1ajb n HIS 425 Cb 0.36 -1.13 0.81 0.00 1.12 0.00 0.00 29.99 31.14 1ajb n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ajb h ALA 426 N 0.00 1.55 -0.38 -1.41 0.00 -1.63 -1.93 119.26 115.47 1ajb h ALA 426 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ajb h ALA 426 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ajb h ALA 426 CO 0.00 0.05 0.41 0.00 0.00 0.00 0.00 179.25 179.71 1ajb h ALA 427 N 1.96 2.08 -0.02 0.00 0.00 -1.87 -2.04 119.26 119.36 1ajb h ALA 427 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ajb h ALA 427 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ajb h ALA 427 CO 0.01 -0.60 0.00 0.09 0.00 0.00 0.00 179.25 178.75 1ajb n ASN 428 N -3.74 0.19 -0.51 0.00 3.02 -0.73 -2.15 115.26 111.35 1ajb n ASN 428 Ca 0.06 -1.65 0.10 0.00 -0.03 0.00 0.00 54.58 53.07 1ajb n ASN 428 Cb 0.57 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1ajb n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ajb n VAL 429 N -0.57 0.00 -2.56 2.41 0.24 -0.77 -4.99 118.33 112.10 1ajb n VAL 429 Ca 0.10 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.34 61.74 1ajb n VAL 429 Cb 0.07 1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 1ajb n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ajb s VAL 430 N -2.17 4.31 0.00 3.34 1.01 -0.91 -3.16 120.40 122.81 1ajb s VAL 430 Ca 0.18 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1ajb s VAL 430 Cb 0.16 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ajb s VAL 430 CO 0.47 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1ajb n GLY 431 N -0.96 -1.62 3.73 4.51 0.00 -1.25 -4.74 105.19 104.86 1ajb n GLY 431 Ca 0.07 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1ajb n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ajb s LEU 432 N 0.00 4.32 0.00 0.99 2.96 -1.26 -1.39 118.68 124.30 1ajb s LEU 432 Ca 0.00 0.97 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 1ajb s LEU 432 Cb 0.00 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 1ajb s LEU 432 CO 0.00 0.01 0.16 0.35 -1.32 0.00 0.00 176.35 175.55 1ajb n THR 433 N 3.42 0.00 -4.40 3.68 -2.24 -0.80 -4.97 114.28 108.97 1ajb n THR 433 Ca -0.06 -1.37 -0.27 0.00 -2.27 0.00 0.00 64.05 60.08 1ajb n THR 433 Cb 0.51 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1ajb n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ajb s ASP 434 N -2.31 3.50 0.44 3.42 2.15 -1.26 -1.99 116.67 120.62 1ajb s ASP 434 Ca 0.22 -0.82 0.13 0.00 0.43 0.00 0.00 52.55 52.52 1ajb s ASP 434 Cb 0.01 -0.30 1.04 0.00 -0.30 0.00 0.00 42.92 43.37 1ajb s ASP 434 CO 0.16 0.13 2.01 -0.61 -0.17 0.00 0.00 175.17 176.69 1ajb h GLN 435 N 3.28 0.36 0.00 4.34 4.15 -1.03 -0.17 115.11 126.04 1ajb h GLN 435 Ca -0.47 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 1ajb h GLN 435 Cb 1.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1ajb h GLN 435 CO 0.47 0.24 -0.19 1.79 -1.93 0.00 0.00 178.83 179.21 1ajb h THR 436 N 0.37 0.53 -0.21 2.39 1.35 -1.84 -1.87 112.91 113.62 1ajb h THR 436 Ca 0.22 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 1ajb h THR 436 Cb 0.39 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1ajb h THR 436 CO -0.05 0.19 0.04 0.44 -0.25 0.00 0.00 175.52 175.88 1ajb h ASP 437 N 0.00 0.27 -0.13 5.36 3.32 -1.35 -2.25 116.42 121.64 1ajb h ASP 437 Ca -0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1ajb h ASP 437 Cb 0.65 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ajb h ASP 437 CO 0.03 0.29 0.03 0.25 -1.72 0.00 0.00 179.24 178.12 1ajb h LEU 438 N 0.30 0.26 0.02 1.55 5.85 -1.37 -0.59 115.31 121.33 1ajb h LEU 438 Ca 0.07 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ajb h LEU 438 Cb 0.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1ajb h LEU 438 CO -0.00 0.29 -0.01 0.15 -0.34 0.00 0.00 178.44 178.52 1ajb h PHE 439 N 0.29 -0.03 -0.57 1.25 3.57 -1.48 -1.30 116.94 118.66 1ajb h PHE 439 Ca 0.07 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1ajb h PHE 439 Cb 0.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1ajb h PHE 439 CO 0.00 0.05 0.03 1.88 -2.23 0.00 0.00 178.31 178.05 1ajb h TYR 440 N -0.11 1.04 -0.41 0.41 0.05 -1.40 0.12 116.97 116.68 1ajb h TYR 440 Ca -0.00 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.63 1ajb h TYR 440 Cb 0.10 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1ajb h TYR 440 CO -0.05 0.91 0.26 1.15 -1.05 0.00 0.00 178.16 179.38 1ajb h THR 441 N 0.90 1.08 -0.47 -2.88 2.02 -0.98 -0.08 112.91 112.51 1ajb h THR 441 Ca 0.17 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1ajb h THR 441 Cb 0.48 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ajb h THR 441 CO 0.02 0.10 -0.08 0.24 0.37 0.00 0.00 175.52 176.17 1ajb h MET 442 N 0.53 0.88 0.24 6.66 2.86 -0.63 -0.21 114.93 125.25 1ajb h MET 442 Ca 0.15 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1ajb h MET 442 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ajb h MET 442 CO -0.05 0.96 -0.25 -0.22 1.06 0.00 0.00 176.91 178.42 1ajb h LYS 443 N 0.72 -0.50 -0.71 1.72 3.11 -0.88 -1.58 116.57 118.45 1ajb h LYS 443 Ca 0.12 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1ajb h LYS 443 Cb 0.61 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.92 1ajb h LYS 443 CO 0.04 -0.33 0.40 0.00 -2.81 0.00 0.00 179.45 176.74 1ajb h ALA 444 N 0.15 0.91 -0.44 5.00 0.00 -0.90 -1.49 119.26 122.49 1ajb h ALA 444 Ca -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1ajb h ALA 444 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ajb h ALA 444 CO -0.06 0.42 -0.09 0.00 0.00 0.00 0.00 179.25 179.52 1ajb h ALA 445 N 1.20 1.01 -0.00 0.00 0.00 -0.81 -2.66 119.26 118.00 1ajb h ALA 445 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ajb h ALA 445 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ajb h ALA 445 CO -0.04 0.59 -0.02 -0.11 0.00 0.00 0.00 179.25 179.67 1ajb n LEU 446 N -4.17 0.39 -1.89 0.00 7.94 -0.61 -1.02 117.00 117.64 1ajb n LEU 446 Ca 0.02 -0.07 -0.17 0.00 -1.11 0.00 0.00 56.01 54.67 1ajb n LEU 446 Cb 0.35 -0.06 -0.01 0.00 0.53 0.00 0.00 43.42 44.24 1ajb n LEU 446 CO 0.43 0.07 -0.21 0.61 -1.11 0.00 0.00 177.39 177.17 1ajb n GLY 447 N 1.11 -0.24 3.73 -3.96 0.00 -0.98 -4.95 105.19 99.90 1ajb n GLY 447 Ca 0.20 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ajb n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ajb s LEU 448 N -4.80 4.51 0.00 0.99 1.02 -0.60 -5.03 118.68 114.77 1ajb s LEU 448 Ca 0.00 1.84 0.00 0.00 0.02 0.00 0.00 54.13 55.99 1ajb s LEU 448 Cb 0.00 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.62 1ajb s LEU 448 CO 0.00 -0.07 0.00 0.29 0.02 0.00 0.00 176.35 176.59