#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 1.94 -0.63 -2.82 0.04 -1.26 -4.88 135.00 127.38 1ajb s PRO 2 Ca 0.00 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.24 1ajb s PRO 2 Cb 0.00 -4.81 0.10 0.00 0.04 0.00 0.00 34.50 29.83 1ajb s PRO 2 CO 0.00 -3.98 0.79 -2.00 0.04 0.00 0.00 177.00 171.85 1ajb s GLU 3 N 8.27 3.11 0.00 4.56 2.56 -1.26 -4.91 118.70 131.02 1ajb s GLU 3 Ca 0.86 -1.27 0.00 0.00 0.00 0.00 0.00 54.97 54.56 1ajb s GLU 3 Cb -0.12 -4.30 0.00 0.00 2.00 0.00 0.00 34.13 31.71 1ajb s GLU 3 CO 0.08 -1.61 0.00 -1.33 -0.56 0.00 0.00 175.26 171.84 1ajb n MET 4 N 6.59 0.00 -2.80 4.30 2.81 -1.23 -5.02 117.12 121.78 1ajb n MET 4 Ca -0.06 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.49 1ajb n MET 4 Cb 0.44 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.88 1ajb n MET 4 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ajb s PRO 5 N 0.00 4.33 0.36 0.03 0.04 -1.26 -5.00 135.00 133.50 1ajb s PRO 5 Ca 0.00 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 1ajb s PRO 5 Cb 0.00 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1ajb s PRO 5 CO 0.00 0.05 0.60 0.08 0.04 0.00 0.00 177.00 177.77 1ajb s VAL 6 N -2.01 5.05 -0.51 -0.36 1.01 -1.26 -4.78 120.40 117.54 1ajb s VAL 6 Ca 0.59 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1ajb s VAL 6 Cb -0.12 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ajb s VAL 6 CO 0.16 -0.57 1.15 -0.76 0.00 0.00 0.00 175.10 175.08 1ajb s LEU 7 N -4.25 3.58 0.07 3.92 1.43 -0.18 -4.90 118.68 118.34 1ajb s LEU 7 Ca 0.42 0.36 -0.35 0.00 -1.03 0.00 0.00 54.13 53.53 1ajb s LEU 7 Cb -0.10 -3.44 -0.19 0.00 0.03 0.00 0.00 46.19 42.49 1ajb s LEU 7 CO 0.37 -1.32 1.60 1.05 0.23 0.00 0.00 176.35 178.28 1ajb h GLU 8 N 9.32 -1.03 -2.77 1.70 -0.00 -1.95 -3.43 114.58 116.42 1ajb h GLU 8 Ca -0.24 0.07 -0.32 0.00 -0.00 0.00 0.00 59.36 58.87 1ajb h GLU 8 Cb 1.06 0.23 -0.36 0.00 -0.00 0.00 0.00 28.75 29.68 1ajb h GLU 8 CO 1.15 -0.69 -0.64 1.21 -0.00 0.00 0.00 179.01 180.04 1ajb s ASN 9 N -4.26 1.26 -0.28 3.06 2.47 -1.26 -4.97 114.94 110.96 1ajb s ASN 9 Ca -0.18 -0.06 0.08 0.00 0.42 0.00 0.00 52.86 53.11 1ajb s ASN 9 Cb 0.03 0.29 0.45 0.00 -1.45 0.00 0.00 41.25 40.58 1ajb s ASN 9 CO 0.61 -0.30 1.22 0.54 -3.72 0.00 0.00 177.10 175.45 1ajb n ARG 10 N 5.32 2.99 -2.45 0.43 5.12 -1.26 -4.90 116.66 121.92 1ajb n ARG 10 Ca -0.05 -3.89 -0.27 0.00 -1.93 0.00 0.00 57.85 51.71 1ajb n ARG 10 Cb 0.50 -2.09 0.02 0.00 -1.16 0.00 0.00 32.46 29.73 1ajb n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ajb s ALA 11 N -3.50 3.33 0.22 7.54 0.00 -1.26 -4.72 121.76 123.37 1ajb s ALA 11 Ca 0.48 -0.61 -0.32 0.00 0.00 0.00 0.00 51.96 51.50 1ajb s ALA 11 Cb 0.40 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.78 1ajb s ALA 11 CO 0.01 -0.66 1.64 0.00 0.00 0.00 0.00 175.76 176.75 1ajb n ALA 12 N -2.49 2.34 0.23 0.00 0.00 -0.25 -4.27 120.51 116.06 1ajb n ALA 12 Ca 0.03 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.97 1ajb n ALA 12 Cb 0.57 -2.45 0.54 0.00 0.00 0.00 0.00 19.45 18.10 1ajb n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ajb h GLN 13 N 5.90 0.00 0.00 0.00 7.50 -0.49 -3.48 115.11 124.54 1ajb h GLN 13 Ca -0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.70 1ajb h GLN 13 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1ajb h GLN 13 CO 0.89 0.23 0.00 0.41 -1.50 0.00 0.00 178.83 178.86 1ajb n GLY 14 N -0.36 3.29 3.55 3.46 0.00 0.12 -5.03 105.19 110.22 1ajb n GLY 14 Ca -0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 1.90 6.46 0.16 1.61 2.15 -1.25 -4.76 116.67 122.94 1ajb s ASP 15 Ca 0.00 0.01 0.13 0.00 0.43 0.00 0.00 52.55 53.12 1ajb s ASP 15 Cb 0.00 -2.41 0.65 0.00 -0.30 0.00 0.00 42.92 40.86 1ajb s ASP 15 CO 0.00 -0.96 1.39 2.30 -0.17 0.00 0.00 175.17 177.73 1ajb n ILE 16 N 6.23 1.40 1.15 4.11 -5.35 -1.26 -0.77 119.36 124.86 1ajb n ILE 16 Ca 0.04 0.56 0.13 0.00 -0.27 0.00 0.00 62.75 63.21 1ajb n ILE 16 Cb 0.48 -1.53 0.44 0.00 -1.74 0.00 0.00 39.64 37.29 1ajb n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ajb n THR 17 N -1.90 0.00 -4.25 7.28 -2.24 -1.26 -4.57 114.28 107.34 1ajb n THR 17 Ca -0.00 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 1ajb n THR 17 Cb 0.05 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.78 3.18 0.12 6.98 0.00 0.05 -5.02 121.76 124.29 1ajb s ALA 18 Ca 0.18 -1.51 -0.35 0.00 0.00 0.00 0.00 51.96 50.28 1ajb s ALA 18 Cb 0.19 -0.89 -0.16 0.00 0.00 0.00 0.00 23.12 22.26 1ajb s ALA 18 CO 0.58 0.37 1.35 -2.30 0.00 0.00 0.00 175.76 175.75 1ajb n PRO 19 N -0.52 1.34 -0.09 0.00 -0.02 -1.26 -0.68 135.00 133.76 1ajb n PRO 19 Ca -0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1ajb n PRO 19 Cb 0.57 -2.12 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 2.55 1.31 0.23 -1.23 0.00 -1.26 -4.84 105.19 101.95 1ajb n GLY 20 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -1.74 -0.02 0.00 -1.01 -2.71 103.07 97.59 1ajb h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ajb h GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ajb n ALA 22 N -2.34 2.46 -1.79 3.60 0.00 -1.26 0.11 120.51 121.27 1ajb n ALA 22 Ca -0.02 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 1ajb n ALA 22 Cb 0.32 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.58 4.21 0.01 0.00 0.52 -1.02 -4.59 118.95 116.50 1ajb s ARG 23 Ca 0.36 2.42 0.23 0.00 -0.52 0.00 0.00 55.73 58.22 1ajb s ARG 23 Cb 0.20 -3.03 0.05 0.00 0.52 0.00 0.00 34.95 32.69 1ajb s ARG 23 CO 0.29 -0.44 1.06 0.54 0.02 0.00 0.00 175.30 176.78 1ajb n ARG 24 N 1.21 0.11 -4.42 3.54 1.74 -1.26 -0.24 116.66 117.34 1ajb n ARG 24 Ca 0.03 -0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 1ajb n ARG 24 Cb 0.40 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 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 -3.34 3.45 -0.11 0.55 1.43 -1.26 -4.53 118.68 114.86 1ajb s LEU 25 Ca 0.07 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1ajb s LEU 25 Cb 0.16 -1.79 -0.24 0.00 0.03 0.00 0.00 46.19 44.34 1ajb s LEU 25 CO 0.80 0.33 0.39 0.35 0.23 0.00 0.00 176.35 178.45 1ajb n THR 26 N 2.44 1.69 -3.05 5.49 -2.24 -1.26 -5.03 114.28 112.33 1ajb n THR 26 Ca -0.18 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1ajb n THR 26 Cb 0.53 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 1.88 3.17 3.77 3.38 0.00 -1.26 -5.15 105.19 110.97 1ajb n GLY 27 Ca -0.29 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.10 6.07 0.00 1.61 2.15 -1.26 -4.96 116.67 120.17 1ajb s ASP 28 Ca 0.00 2.47 0.13 0.00 0.43 0.00 0.00 52.55 55.58 1ajb s ASP 28 Cb 0.00 -2.62 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1ajb s ASP 28 CO 0.00 -1.00 0.63 1.67 -0.17 0.00 0.00 175.17 176.30 1ajb n GLN 29 N -0.39 2.41 -0.16 4.34 -0.06 -1.26 -4.66 117.38 117.60 1ajb n GLN 29 Ca 0.07 -0.27 -0.03 0.00 -2.00 0.00 0.00 57.00 54.77 1ajb n GLN 29 Cb 0.46 -1.14 0.04 0.00 -4.06 0.00 0.00 30.24 25.55 1ajb n GLN 29 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1ajb h THR 30 N 0.57 0.51 -0.10 1.69 2.02 -1.99 -1.24 112.91 114.37 1ajb h THR 30 Ca 0.00 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1ajb h THR 30 Cb 0.36 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1ajb h THR 30 CO 0.00 0.00 -0.65 0.00 0.37 0.00 0.00 175.52 175.24 1ajb h ALA 31 N 1.50 0.69 -0.55 6.16 0.00 -1.99 0.48 119.26 125.55 1ajb h ALA 31 Ca 0.25 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ajb h ALA 31 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ajb h ALA 31 CO -0.51 0.73 0.05 0.00 0.00 0.00 0.00 179.25 179.53 1ajb h ALA 32 N 1.01 1.07 -0.42 0.00 0.00 -1.72 -0.12 119.26 119.08 1ajb h ALA 32 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1ajb h ALA 32 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ajb h ALA 32 CO 0.11 0.60 -0.24 1.25 0.00 0.00 0.00 179.25 180.97 1ajb h LEU 33 N 0.84 0.95 -0.85 0.00 5.85 -0.80 -2.49 115.31 118.81 1ajb h LEU 33 Ca 0.17 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1ajb h LEU 33 Cb 0.42 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1ajb h LEU 33 CO 0.01 1.16 0.52 0.03 -0.34 0.00 0.00 178.44 179.82 1ajb h ARG 34 N 0.74 0.93 0.00 1.25 3.08 -0.19 -0.11 114.38 120.08 1ajb h ARG 34 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ajb h ARG 34 Cb 0.82 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ajb h ARG 34 CO 0.07 0.61 0.00 -0.25 -1.07 0.00 0.00 179.97 179.33 1ajb n ASP 35 N -4.63 0.00 0.02 7.04 8.00 -0.12 -3.08 116.55 123.77 1ajb n ASP 35 Ca 0.12 -0.26 0.11 0.00 0.71 0.00 0.00 54.79 55.47 1ajb n ASP 35 Cb 0.17 -0.20 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.20 0.65 -4.65 -2.24 7.64 -0.06 -3.47 113.62 110.30 1ajb n SER 36 Ca 0.13 -0.35 -0.39 0.00 1.01 0.00 0.00 58.87 59.27 1ajb n SER 36 Cb 0.15 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 63.96 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 -3.54 4.11 -0.19 -3.43 1.02 -1.18 -4.67 118.68 110.80 1ajb s LEU 37 Ca 0.06 0.56 -0.09 0.00 0.02 0.00 0.00 54.13 54.68 1ajb s LEU 37 Cb 0.15 -2.63 0.07 0.00 0.02 0.00 0.00 46.19 43.81 1ajb s LEU 37 CO 0.79 -0.19 0.44 -0.55 0.02 0.00 0.00 176.35 176.85 1ajb s SER 38 N 1.29 -0.48 -0.06 2.29 0.15 -1.26 -5.02 113.70 110.60 1ajb s SER 38 Ca 0.21 0.99 0.20 0.00 0.70 0.00 0.00 55.95 58.06 1ajb s SER 38 Cb -0.15 1.04 0.70 0.00 -1.71 0.00 0.00 66.02 65.90 1ajb s SER 38 CO 0.09 -0.21 1.60 -0.90 1.20 0.00 0.00 173.24 175.02 1ajb n ASP 39 N 4.66 4.45 -4.70 5.45 5.68 -1.26 -0.97 116.55 129.86 1ajb n ASP 39 Ca -0.18 -2.25 -0.32 0.00 -0.50 0.00 0.00 54.79 51.54 1ajb n ASP 39 Cb 0.53 -0.55 0.13 0.00 -1.14 0.00 0.00 41.12 40.10 1ajb n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ajb s LYS 40 N -1.47 1.56 0.46 0.11 -0.14 -1.26 -4.87 119.74 114.12 1ajb s LYS 40 Ca 0.51 1.59 -0.23 0.00 -1.36 0.00 0.00 55.97 56.48 1ajb s LYS 40 Cb 0.30 -1.78 -0.10 0.00 -1.68 0.00 0.00 37.83 34.57 1ajb s LYS 40 CO 0.29 -2.24 0.87 -2.30 -0.76 0.00 0.00 175.35 171.22 1ajb n PRO 41 N -3.60 1.06 -3.52 -1.68 -0.02 -1.26 -4.49 135.00 121.49 1ajb n PRO 41 Ca 0.12 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1ajb n PRO 41 Cb 0.51 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.38 3.58 0.09 3.55 0.00 -0.34 -4.87 121.76 122.39 1ajb s ALA 42 Ca 0.65 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1ajb s ALA 42 Cb -0.54 -2.43 -0.25 0.00 0.00 0.00 0.00 23.12 19.90 1ajb s ALA 42 CO 0.55 -0.01 1.17 -0.22 0.00 0.00 0.00 175.76 177.26 1ajb h LYS 43 N 6.89 0.28 -4.33 0.00 3.64 -0.73 -3.38 116.57 118.94 1ajb h LYS 43 Ca -0.40 -0.44 -0.20 0.00 -1.27 0.00 0.00 60.65 58.34 1ajb h LYS 43 Cb 1.16 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 1ajb h LYS 43 CO 0.74 1.19 -0.70 -0.80 -2.27 0.00 0.00 179.45 177.61 1ajb s ASN 44 N -7.13 0.64 -0.02 4.20 0.01 -1.10 -3.07 114.94 108.48 1ajb s ASN 44 Ca -0.04 -0.73 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 1ajb s ASN 44 Cb 0.07 0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.83 1ajb s ASN 44 CO 0.88 -0.38 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.33 1ajb s ILE 45 N -2.43 1.06 -0.11 0.60 1.01 0.13 -1.70 121.20 119.76 1ajb s ILE 45 Ca -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ajb s ILE 45 Cb -0.03 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1ajb s ILE 45 CO -0.03 0.31 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 1ajb s ILE 46 N -0.16 1.33 -0.25 2.92 1.01 -0.12 -1.23 121.20 124.69 1ajb s ILE 46 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1ajb s ILE 46 Cb -0.07 -1.24 0.06 0.00 0.01 0.00 0.00 42.46 41.22 1ajb s ILE 46 CO 0.00 0.41 -0.11 -0.22 0.00 0.00 0.00 174.94 175.02 1ajb s LEU 47 N 1.15 3.25 -0.24 2.97 0.20 -0.17 -0.87 118.68 124.97 1ajb s LEU 47 Ca -0.04 -1.32 -0.11 0.00 0.69 0.00 0.00 54.13 53.34 1ajb s LEU 47 Cb -0.14 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 1ajb s LEU 47 CO -0.03 -0.18 0.19 -0.76 -0.29 0.00 0.00 176.35 175.28 1ajb s LEU 48 N 1.15 4.11 -0.21 -0.68 2.01 0.78 -1.07 118.68 124.76 1ajb s LEU 48 Ca -0.08 0.14 -0.03 0.00 0.01 0.00 0.00 54.13 54.17 1ajb s LEU 48 Cb -0.19 -2.15 -0.00 0.00 0.01 0.00 0.00 46.19 43.85 1ajb s LEU 48 CO -0.06 0.03 -0.07 -0.63 1.01 0.00 0.00 176.35 176.64 1ajb s ILE 49 N 1.19 3.14 -0.43 -0.59 -1.09 -0.13 -1.86 121.20 121.43 1ajb s ILE 49 Ca 0.09 -0.57 -0.22 0.00 -2.23 0.00 0.00 60.65 57.72 1ajb s ILE 49 Cb -0.14 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1ajb s ILE 49 CO 0.06 0.44 0.71 -0.83 -1.23 0.00 0.00 174.94 174.09 1ajb s GLY 50 N 1.44 1.67 -0.26 6.18 0.00 0.18 -0.83 107.32 115.70 1ajb s GLY 50 Ca 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 1ajb s GLY 50 CO -0.05 1.64 1.37 -0.35 0.00 0.00 0.00 173.10 175.71 1ajb s ASP 51 N 2.01 6.64 0.00 1.64 -1.08 -0.14 -2.13 116.67 123.62 1ajb s ASP 51 Ca 0.26 1.38 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1ajb s ASP 51 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1ajb s ASP 51 CO 0.20 -1.08 0.00 0.61 0.52 0.00 0.00 175.17 175.42 1ajb n GLY 52 N 4.30 0.72 3.20 2.66 0.00 -1.24 -0.14 105.19 114.68 1ajb n GLY 52 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.49 3.45 -1.74 1.61 1.56 -0.90 -4.17 117.12 114.44 1ajb n MET 53 Ca 0.00 -3.65 -0.29 0.00 -0.27 0.00 0.00 57.70 53.48 1ajb n MET 53 Cb 0.00 -3.02 0.21 0.00 2.15 0.00 0.00 33.22 32.56 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 3.62 -1.75 0.26 -5.12 0.00 -1.26 -4.42 105.19 96.52 1ajb n GLY 54 Ca 0.39 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.94 0.04 -0.51 1.61 3.32 -1.93 -0.70 116.42 116.31 1ajb h ASP 55 Ca -0.43 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1ajb h ASP 55 Cb 1.20 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1ajb h ASP 55 CO 0.30 0.03 0.31 -1.28 -1.72 0.00 0.00 179.24 176.88 1ajb h SER 56 N 0.05 0.50 -0.34 6.45 0.87 -1.92 -0.40 113.55 118.75 1ajb h SER 56 Ca 0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.42 1ajb h SER 56 Cb -0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1ajb h SER 56 CO -0.00 0.36 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.95 1ajb h GLU 57 N 0.62 0.86 -0.41 2.24 3.07 -1.45 -1.37 114.58 118.13 1ajb h GLU 57 Ca 0.20 -0.47 -0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1ajb h GLU 57 Cb 0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1ajb h GLU 57 CO -0.09 1.11 0.24 0.82 -1.40 0.00 0.00 179.01 179.70 1ajb h ILE 58 N 0.65 1.14 -0.66 3.13 2.04 -1.20 -1.50 117.51 121.12 1ajb h ILE 58 Ca 0.05 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1ajb h ILE 58 Cb 0.97 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1ajb h ILE 58 CO 0.09 0.14 0.31 0.74 0.00 0.00 0.00 178.15 179.44 1ajb h THR 59 N 0.54 1.22 -0.30 -0.27 2.02 -0.74 -1.60 112.91 113.78 1ajb h THR 59 Ca 0.15 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1ajb h THR 59 Cb 0.02 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1ajb h THR 59 CO -0.03 0.26 -0.01 0.00 0.37 0.00 0.00 175.52 176.12 1ajb h ALA 60 N 1.14 0.41 -0.74 6.16 0.00 -1.11 0.62 119.26 125.74 1ajb h ALA 60 Ca 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ajb h ALA 60 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ajb h ALA 60 CO -0.03 0.16 0.25 0.00 0.00 0.00 0.00 179.25 179.64 1ajb h ALA 61 N 0.83 0.97 0.39 0.00 0.00 -1.23 -1.88 119.26 118.35 1ajb h ALA 61 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ajb h ALA 61 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ajb h ALA 61 CO 0.02 0.64 -0.19 -0.09 0.00 0.00 0.00 179.25 179.62 1ajb h ARG 62 N 1.09 -0.51 -0.79 0.00 2.43 -0.90 0.10 114.38 115.81 1ajb h ARG 62 Ca 0.24 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.61 1ajb h ARG 62 Cb 0.28 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.84 1ajb h ARG 62 CO -0.01 -0.24 0.31 -0.91 -1.51 0.00 0.00 179.97 177.61 1ajb h ASN 63 N -0.71 0.27 0.24 -3.80 2.35 -0.77 0.28 115.58 113.44 1ajb h ASN 63 Ca -0.05 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1ajb h ASN 63 Cb 0.50 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1ajb h ASN 63 CO 0.09 0.07 -0.12 0.22 -1.65 0.00 0.00 177.43 176.04 1ajb h TYR 64 N 0.42 -0.30 0.00 1.19 3.20 -1.16 -2.39 116.97 117.93 1ajb h TYR 64 Ca 0.45 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.24 1ajb h TYR 64 Cb 0.74 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1ajb h TYR 64 CO -0.17 0.06 -0.93 0.00 -1.64 0.00 0.00 178.16 175.48 1ajb h ALA 65 N -0.49 0.65 0.00 1.82 0.00 -0.41 -1.61 119.26 119.22 1ajb h ALA 65 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ajb h ALA 65 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ajb h ALA 65 CO 0.06 0.44 -0.17 0.39 0.00 0.00 0.00 179.25 179.97 1ajb n GLU 66 N -2.91 3.95 0.00 0.00 -0.58 0.80 -4.88 120.64 117.02 1ajb n GLU 66 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1ajb n GLU 66 Cb 0.69 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 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 0.91 -0.05 0.37 0.62 0.00 -0.10 -3.74 105.19 103.20 1ajb n GLY 67 Ca 0.00 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 1.98 -0.54 4.61 0.00 -1.78 0.33 119.26 123.86 1ajb h ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ajb h ALA 68 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ajb h ALA 68 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1ajb n GLY 69 N -1.49 2.51 0.13 0.00 0.00 -1.26 -4.89 105.19 100.19 1ajb n GLY 69 Ca 0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 0.86 -0.68 3.60 -0.02 0.00 0.12 -1.09 105.19 107.97 1ajb n GLY 70 Ca 0.23 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.80 -1.03 -0.30 1.61 5.36 -1.26 -4.65 117.98 116.90 1ajb s PHE 71 Ca 0.02 2.06 -0.23 0.00 -0.96 0.00 0.00 56.93 57.82 1ajb s PHE 71 Cb -0.00 0.61 -0.00 0.00 -0.34 0.00 0.00 43.02 43.29 1ajb s PHE 71 CO 0.02 -0.52 0.77 -0.06 -1.46 0.00 0.00 175.22 173.97 1ajb s PHE 72 N 1.69 3.21 0.55 10.12 0.08 -1.26 -4.93 117.98 127.43 1ajb s PHE 72 Ca -0.10 0.80 0.23 0.00 0.12 0.00 0.00 56.93 57.98 1ajb s PHE 72 Cb -0.06 -3.18 1.47 0.00 -0.57 0.00 0.00 43.02 40.69 1ajb s PHE 72 CO -0.19 -0.54 2.13 0.87 -0.10 0.00 0.00 175.22 177.39 1ajb h LYS 73 N 8.10 0.00 0.00 0.44 6.56 -1.96 -1.94 116.57 127.78 1ajb h LYS 73 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1ajb h LYS 73 Cb 1.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1ajb h LYS 73 CO 0.87 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.67 1ajb n GLY 74 N -1.49 -0.07 0.27 3.86 0.00 -1.26 -4.30 105.19 102.20 1ajb n GLY 74 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.53 -0.01 -0.61 2.04 -1.79 -1.39 117.51 116.28 1ajb h ILE 75 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ajb h ILE 75 Cb 0.00 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1ajb h ILE 75 CO 0.00 0.05 -0.24 0.47 0.00 0.00 0.00 178.15 178.43 1ajb n ASP 76 N -5.15 0.92 -0.22 1.72 8.00 -0.73 -4.08 116.55 117.01 1ajb n ASP 76 Ca 0.13 -0.82 0.14 0.00 0.71 0.00 0.00 54.79 54.95 1ajb n ASP 76 Cb 0.44 0.10 0.54 0.00 -0.02 0.00 0.00 41.12 42.18 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 -0.72 2.83 -2.55 2.24 0.00 -0.52 -4.81 120.51 116.97 1ajb n ALA 77 Ca 0.12 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1ajb n ALA 77 Cb 0.34 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.37 4.21 0.29 0.00 1.02 -1.25 -1.01 118.68 119.55 1ajb s LEU 78 Ca 0.30 1.62 0.15 0.00 0.02 0.00 0.00 54.13 56.21 1ajb s LEU 78 Cb 0.20 -3.55 0.28 0.00 0.02 0.00 0.00 46.19 43.14 1ajb s LEU 78 CO 0.46 -0.61 1.54 1.55 0.02 0.00 0.00 176.35 179.31 1ajb h PRO 79 N 7.55 0.00 -5.01 1.29 0.13 -1.86 -3.43 132.00 130.66 1ajb h PRO 79 Ca -0.28 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 1ajb h PRO 79 Cb 1.12 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 1ajb h PRO 79 CO 0.92 0.55 -0.58 -0.51 -0.23 0.00 0.00 178.00 178.15 1ajb s LEU 80 N -6.84 3.68 0.03 1.56 1.43 -1.02 -4.99 118.68 112.53 1ajb s LEU 80 Ca 0.01 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1ajb s LEU 80 Cb 0.10 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1ajb s LEU 80 CO 0.74 0.01 -0.20 0.42 0.23 0.00 0.00 176.35 177.55 1ajb s THR 81 N 1.38 1.59 0.00 5.49 -4.23 -1.26 -0.40 115.64 118.20 1ajb s THR 81 Ca 0.06 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1ajb s THR 81 Cb -0.15 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1ajb s THR 81 CO 0.05 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1ajb n GLY 82 N 1.97 4.12 2.86 3.99 0.00 0.01 -4.01 105.19 114.12 1ajb n GLY 82 Ca -0.17 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.13 0.19 0.17 1.61 1.11 -0.85 -2.62 119.66 119.13 1ajb s GLN 83 Ca 0.00 0.01 0.06 0.00 0.01 0.00 0.00 55.36 55.44 1ajb s GLN 83 Cb 0.00 -0.28 -0.04 0.00 -1.01 0.00 0.00 33.01 31.67 1ajb s GLN 83 CO 0.00 -0.05 -0.13 1.52 0.01 0.00 0.00 175.29 176.64 1ajb s TYR 84 N 0.47 1.50 0.05 0.91 1.13 -0.68 -2.04 117.35 118.70 1ajb s TYR 84 Ca -0.04 -0.63 -0.01 0.00 -1.41 0.00 0.00 57.07 54.97 1ajb s TYR 84 Cb -0.07 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 40.02 1ajb s TYR 84 CO -0.01 0.22 0.23 0.95 -2.51 0.00 0.00 175.55 174.43 1ajb s THR 85 N -2.92 5.37 -0.03 -3.49 -4.23 -0.50 -3.04 115.64 106.80 1ajb s THR 85 Ca 0.18 -0.27 0.24 0.00 -1.18 0.00 0.00 61.69 60.66 1ajb s THR 85 Cb -0.00 -3.61 0.43 0.00 1.34 0.00 0.00 72.50 70.66 1ajb s THR 85 CO 0.04 0.17 1.17 0.00 -0.54 0.00 0.00 174.62 175.47 1ajb n HIS 86 N 0.43 0.03 -1.86 3.99 1.44 -1.26 -0.20 115.22 117.78 1ajb n HIS 86 Ca -0.06 -0.64 -0.38 0.00 -2.01 0.00 0.00 57.72 54.63 1ajb n HIS 86 Cb 0.51 -0.16 0.03 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.41 2.38 0.00 -1.40 1.13 -1.26 -4.40 117.35 113.38 1ajb s TYR 87 Ca 0.34 1.41 0.00 0.00 -1.41 0.00 0.00 57.07 57.41 1ajb s TYR 87 Cb 0.39 -3.72 0.00 0.00 -1.10 0.00 0.00 41.96 37.52 1ajb s TYR 87 CO -0.16 -2.66 0.00 0.00 -2.51 0.00 0.00 175.55 170.22 1ajb n ALA 88 N -0.97 0.00 -2.47 9.51 0.00 0.40 -4.93 120.51 122.06 1ajb n ALA 88 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1ajb n ALA 88 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 2.40 -0.30 0.00 1.43 -0.09 -0.79 118.68 121.32 1ajb s LEU 89 Ca 0.00 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 1ajb s LEU 89 Cb 0.00 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 1ajb s LEU 89 CO 0.00 0.01 0.62 0.21 0.23 0.00 0.00 176.35 177.42 1ajb s ASN 90 N -2.47 6.48 0.19 2.29 3.84 0.17 -4.09 114.94 121.35 1ajb s ASN 90 Ca 0.14 0.41 -0.13 0.00 0.21 0.00 0.00 52.86 53.49 1ajb s ASN 90 Cb -0.07 -2.32 0.20 0.00 -0.55 0.00 0.00 41.25 38.51 1ajb s ASN 90 CO 0.06 -0.47 1.69 0.50 -2.79 0.00 0.00 177.10 176.10 1ajb h LYS 91 N 8.19 0.16 -0.21 0.43 3.64 -1.93 0.66 116.57 127.52 1ajb h LYS 91 Ca -0.27 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.95 1ajb h LYS 91 Cb 1.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1ajb h LYS 91 CO 0.79 0.10 -0.47 -0.22 -2.27 0.00 0.00 179.45 177.39 1ajb h LYS 92 N 0.16 0.68 0.00 1.90 1.63 -1.95 -3.36 116.57 115.64 1ajb h LYS 92 Ca 0.26 -0.46 -0.08 0.00 -0.85 0.00 0.00 60.65 59.52 1ajb h LYS 92 Cb 0.38 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1ajb h LYS 92 CO -0.39 1.08 -1.56 0.25 -3.45 0.00 0.00 179.45 175.38 1ajb n THR 93 N -4.17 0.66 -0.96 1.00 -2.24 -1.06 -4.96 114.28 102.57 1ajb n THR 93 Ca -0.06 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1ajb n THR 93 Cb 0.58 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.32 0.62 3.86 3.38 0.00 0.23 -5.00 105.19 109.59 1ajb n GLY 94 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 3.91 0.38 1.61 1.02 -1.25 -4.64 119.74 120.50 1ajb s LYS 95 Ca 0.00 0.71 -0.27 0.00 0.02 0.00 0.00 55.97 56.44 1ajb s LYS 95 Cb 0.00 -2.29 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 1ajb s LYS 95 CO 0.00 -0.09 1.27 -2.30 -0.92 0.00 0.00 175.35 173.31 1ajb n PRO 96 N -1.20 2.00 -3.91 -1.68 -0.02 -1.26 0.42 135.00 129.36 1ajb n PRO 96 Ca 0.04 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 1ajb n PRO 96 Cb 0.54 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.43 4.93 0.54 2.55 -1.08 0.02 -4.67 116.67 118.55 1ajb s ASP 97 Ca 0.58 -1.78 0.24 0.00 -0.52 0.00 0.00 52.55 51.08 1ajb s ASP 97 Cb -0.54 -1.71 1.51 0.00 -1.46 0.00 0.00 42.92 40.72 1ajb s ASP 97 CO 0.60 -0.38 2.16 1.88 0.52 0.00 0.00 175.17 179.95 1ajb h TYR 98 N 7.89 0.00 -3.35 -5.34 0.05 -1.93 0.12 116.97 114.40 1ajb h TYR 98 Ca -0.14 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.97 1ajb h TYR 98 Cb 1.04 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.45 1ajb h TYR 98 CO 0.56 0.05 -0.80 0.08 -1.05 0.00 0.00 178.16 176.99 1ajb s VAL 99 N -4.64 2.44 0.48 -2.88 1.01 -1.26 -4.46 120.40 111.09 1ajb s VAL 99 Ca -0.04 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1ajb s VAL 99 Cb 0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1ajb s VAL 99 CO 0.60 0.34 0.80 0.28 0.00 0.00 0.00 175.10 177.13 1ajb s THR 100 N 1.29 4.86 0.21 3.92 -1.32 -1.26 -4.78 115.64 118.56 1ajb s THR 100 Ca 0.01 0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.87 1ajb s THR 100 Cb -0.15 -3.84 0.04 0.00 -1.51 0.00 0.00 72.50 67.04 1ajb s THR 100 CO -0.08 -0.80 0.29 -0.90 -2.21 0.00 0.00 174.62 170.92 1ajb n ASP 101 N -2.08 0.60 0.04 8.08 5.75 -1.26 -4.91 116.55 122.76 1ajb n ASP 101 Ca 0.01 -1.46 0.13 0.00 -0.01 0.00 0.00 54.79 53.47 1ajb n ASP 101 Cb 0.55 -0.17 0.45 0.00 -1.03 0.00 0.00 41.12 40.92 1ajb n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ajb n SER 102 N -2.85 0.40 -0.03 -1.12 7.64 -1.26 -3.50 113.62 112.89 1ajb n SER 102 Ca 0.05 0.37 -0.18 0.00 1.01 0.00 0.00 58.87 60.13 1ajb n SER 102 Cb 0.20 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 1ajb n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ajb h ALA 103 N 2.80 0.06 -0.09 -0.43 0.00 -1.86 -3.03 119.26 116.70 1ajb h ALA 103 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1ajb h ALA 103 Cb 0.60 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ajb h ALA 103 CO 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 179.25 179.22 1ajb h ALA 104 N -0.08 1.16 -0.09 0.00 0.00 -1.69 -0.20 119.26 118.37 1ajb h ALA 104 Ca -0.15 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1ajb h ALA 104 Cb 1.35 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ajb h ALA 104 CO 0.01 0.57 -0.69 0.66 0.00 0.00 0.00 179.25 179.80 1ajb h SER 105 N 0.17 0.77 -0.51 0.00 4.64 -1.71 -2.48 113.55 114.43 1ajb h SER 105 Ca 0.02 -0.67 -0.04 0.00 -0.47 0.00 0.00 61.79 60.63 1ajb h SER 105 Cb 0.78 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1ajb h SER 105 CO 0.06 1.32 0.15 0.00 -0.87 0.00 0.00 176.83 177.48 1ajb h ALA 106 N 0.47 0.67 -0.93 5.18 0.00 -1.38 -2.40 119.26 120.87 1ajb h ALA 106 Ca -0.06 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ajb h ALA 106 Cb 1.34 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1ajb h ALA 106 CO 0.14 0.35 0.61 1.15 0.00 0.00 0.00 179.25 181.50 1ajb h THR 107 N 0.71 1.15 -0.74 0.00 2.02 -1.03 -0.75 112.91 114.27 1ajb h THR 107 Ca 0.16 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1ajb h THR 107 Cb 0.30 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1ajb h THR 107 CO -0.00 0.21 0.44 0.00 0.37 0.00 0.00 175.52 176.54 1ajb h ALA 108 N 1.46 0.94 0.00 6.16 0.00 -0.95 0.26 119.26 127.13 1ajb h ALA 108 Ca 0.37 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ajb h ALA 108 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ajb h ALA 108 CO -0.12 0.41 -0.52 0.11 0.00 0.00 0.00 179.25 179.13 1ajb h TRP 109 N 1.00 0.00 0.00 0.00 0.09 -1.24 -1.19 115.95 114.61 1ajb h TRP 109 Ca 0.26 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 59.12 1ajb h TRP 109 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.19 1ajb h TRP 109 CO -0.01 0.35 -0.83 0.66 0.09 0.00 0.00 178.44 178.70 1ajb h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.66 -3.31 113.55 114.33 1ajb h SER 110 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ajb h SER 110 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ajb h SER 110 CO 0.04 0.49 -0.07 0.35 -0.87 0.00 0.00 176.83 176.78 1ajb n THR 111 N -3.08 0.00 -1.08 2.95 -2.24 0.87 0.03 114.28 111.73 1ajb n THR 111 Ca -0.02 -0.44 -0.03 0.00 -2.27 0.00 0.00 64.05 61.29 1ajb n THR 111 Cb 0.76 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.94 1ajb n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajb n GLY 112 N 1.06 0.58 3.17 3.38 0.00 -0.45 -4.93 105.19 108.01 1ajb n GLY 112 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.98 1.26 0.54 1.61 0.11 -1.26 -4.92 120.40 115.76 1ajb s VAL 113 Ca 0.00 -1.07 -0.17 0.00 -2.93 0.00 0.00 61.98 57.80 1ajb s VAL 113 Cb 0.00 -1.13 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 1ajb s VAL 113 CO 0.00 0.04 1.03 -0.54 -3.33 0.00 0.00 175.10 172.30 1ajb s LYS 114 N -1.19 3.63 0.00 1.54 -0.14 -1.26 -3.74 119.74 118.57 1ajb s LYS 114 Ca 0.03 1.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.82 1ajb s LYS 114 Cb -0.08 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1ajb s LYS 114 CO 0.01 -0.55 0.00 -2.37 -0.76 0.00 0.00 175.35 171.68 1ajb n THR 115 N -1.60 0.00 -4.00 2.17 5.66 -1.26 -4.36 114.28 110.90 1ajb n THR 115 Ca 0.08 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 1ajb n THR 115 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 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 -3.43 3.37 0.01 1.09 1.13 -1.26 -0.92 117.35 117.34 1ajb s TYR 116 Ca 0.00 0.05 -0.30 0.00 -1.41 0.00 0.00 57.07 55.42 1ajb s TYR 116 Cb 0.00 -1.60 -0.08 0.00 -1.10 0.00 0.00 41.96 39.18 1ajb s TYR 116 CO 0.00 0.51 1.98 -0.80 -2.51 0.00 0.00 175.55 174.74 1ajb s ASN 117 N -3.29 6.35 0.00 -0.18 0.01 -1.26 -1.59 114.94 114.98 1ajb s ASN 117 Ca 0.33 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 1ajb s ASN 117 Cb -0.10 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1ajb s ASN 117 CO 0.27 -1.14 0.00 0.61 -1.51 0.00 0.00 177.10 175.32 1ajb n GLY 118 N 4.66 0.87 3.77 0.66 0.00 -1.26 -4.97 105.19 108.92 1ajb n GLY 118 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.30 3.01 -0.13 4.61 0.00 -0.62 0.05 121.76 127.38 1ajb s ALA 119 Ca 0.00 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 1ajb s ALA 119 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ajb s ALA 119 CO 0.00 -0.63 -0.10 -0.51 0.00 0.00 0.00 175.76 174.52 1ajb s LEU 120 N -2.91 1.37 -0.59 0.00 1.43 -0.15 -3.98 118.68 113.86 1ajb s LEU 120 Ca 0.62 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1ajb s LEU 120 Cb -0.29 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1ajb s LEU 120 CO 0.36 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1ajb n GLY 121 N 4.87 0.71 3.19 -3.19 0.00 -1.24 -0.31 105.19 109.21 1ajb n GLY 121 Ca -0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.88 0.99 0.09 1.61 -7.23 -1.26 -2.39 120.40 110.32 1ajb s VAL 122 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1ajb s VAL 122 Cb 0.00 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.51 1ajb s VAL 122 CO 0.00 -0.59 0.12 -0.90 -0.31 0.00 0.00 175.10 173.42 1ajb n ASP 123 N 0.43 0.17 0.30 4.85 5.68 -0.17 -4.75 116.55 123.07 1ajb n ASP 123 Ca -0.15 -1.14 0.18 0.00 -0.50 0.00 0.00 54.79 53.18 1ajb n ASP 123 Cb 0.58 -0.07 0.93 0.00 -1.14 0.00 0.00 41.12 41.42 1ajb n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1ajb h ILE 124 N -0.36 0.18 -0.27 2.12 3.07 -1.91 -0.30 117.51 120.04 1ajb h ILE 124 Ca -0.04 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1ajb h ILE 124 Cb 0.15 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1ajb h ILE 124 CO 0.04 0.03 0.00 1.41 -1.05 0.00 0.00 178.15 178.58 1ajb n HIS 125 N -3.28 0.36 -1.57 0.16 8.25 -1.26 -4.90 115.22 112.99 1ajb n HIS 125 Ca -0.02 -0.18 -0.20 0.00 -0.26 0.00 0.00 57.72 57.07 1ajb n HIS 125 Cb 0.18 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.20 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 0.29 -1.48 -3.14 -0.41 1.02 -0.12 -4.99 120.64 111.80 1ajb n GLU 126 Ca 0.09 1.18 -0.36 0.00 -0.02 0.00 0.00 57.16 58.05 1ajb n GLU 126 Cb 0.23 -5.57 -0.06 0.00 -0.02 0.00 0.00 31.44 26.02 1ajb n GLU 126 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ajb s LYS 127 N -3.66 4.21 0.65 3.49 -0.14 -1.26 -4.76 119.74 118.26 1ajb s LYS 127 Ca 0.00 0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 55.31 1ajb s LYS 127 Cb 0.00 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.24 1ajb s LYS 127 CO 0.00 0.41 1.05 -0.51 -0.76 0.00 0.00 175.35 175.54 1ajb s ASP 128 N -1.66 5.97 -0.01 2.83 1.01 -1.26 -0.99 116.67 122.55 1ajb s ASP 128 Ca 0.42 1.34 0.00 0.00 0.71 0.00 0.00 52.55 55.03 1ajb s ASP 128 Cb -0.16 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.46 1ajb s ASP 128 CO 0.21 -1.03 0.00 -1.00 0.21 0.00 0.00 175.17 173.56 1ajb s HIS 129 N -3.23 0.09 0.53 4.23 3.76 -1.01 -4.87 115.29 114.80 1ajb s HIS 129 Ca 0.56 0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 55.28 1ajb s HIS 129 Cb -0.11 -0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.38 1ajb s HIS 129 CO 0.53 -0.04 1.38 -0.35 -0.85 0.00 0.00 174.74 175.41 1ajb n PRO 130 N 3.53 1.80 -3.83 8.40 -0.04 -1.26 -4.86 135.00 138.73 1ajb n PRO 130 Ca -0.19 0.66 -0.21 0.00 -0.04 0.00 0.00 63.50 63.72 1ajb n PRO 130 Cb 0.56 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 1ajb n PRO 130 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ajb s THR 131 N -1.27 5.01 0.39 0.52 -4.23 -1.26 -4.46 115.64 110.34 1ajb s THR 131 Ca 0.70 -0.96 0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1ajb s THR 131 Cb -0.42 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 69.98 1ajb s THR 131 CO 0.50 -0.31 1.91 -0.29 -0.54 0.00 0.00 174.62 175.90 1ajb h ILE 132 N 1.09 0.86 -0.26 2.99 6.09 -0.72 -0.28 117.51 127.28 1ajb h ILE 132 Ca -0.51 -0.20 -0.15 0.00 -1.37 0.00 0.00 64.86 62.64 1ajb h ILE 132 Cb 1.23 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1ajb h ILE 132 CO 0.59 0.10 -0.45 0.25 -3.07 0.00 0.00 178.15 175.58 1ajb h LEU 133 N 0.57 0.71 -0.70 2.19 6.46 -1.85 -1.64 115.31 121.05 1ajb h LEU 133 Ca 0.38 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.68 1ajb h LEU 133 Cb 0.67 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1ajb h LEU 133 CO -0.14 1.06 -0.30 -0.33 -0.62 0.00 0.00 178.44 178.10 1ajb h GLU 134 N 0.53 0.67 -0.22 1.25 5.08 -1.32 -2.58 114.58 117.99 1ajb h GLU 134 Ca 0.04 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1ajb h GLU 134 Cb 0.99 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ajb h GLU 134 CO 0.09 0.89 -0.29 0.52 -1.00 0.00 0.00 179.01 179.22 1ajb h MET 135 N 0.57 0.58 -0.57 2.33 2.86 -1.00 -0.93 114.93 118.78 1ajb h MET 135 Ca 0.07 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1ajb h MET 135 Cb 0.80 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1ajb h MET 135 CO 0.07 0.93 0.32 0.00 1.06 0.00 0.00 176.91 179.29 1ajb h ALA 136 N 0.64 0.74 -0.50 6.32 0.00 -1.26 -1.36 119.26 123.83 1ajb h ALA 136 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1ajb h ALA 136 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ajb h ALA 136 CO 0.07 0.02 -0.07 -0.22 0.00 0.00 0.00 179.25 179.05 1ajb h LYS 137 N 0.63 0.90 -0.43 0.00 3.64 -1.41 -1.26 116.57 118.64 1ajb h LYS 137 Ca 0.24 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1ajb h LYS 137 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ajb h LYS 137 CO -0.13 0.94 0.20 0.00 -2.27 0.00 0.00 179.45 178.19 1ajb h ALA 138 N 1.10 1.55 -0.03 5.00 0.00 -0.49 -1.12 119.26 125.26 1ajb h ALA 138 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ajb h ALA 138 Cb 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ajb h ALA 138 CO 0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1ajb n ALA 139 N -2.47 2.61 -0.56 0.00 0.00 -0.58 -4.94 120.51 114.58 1ajb n ALA 139 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ajb n ALA 139 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.95 0.76 3.80 0.00 0.00 -0.42 -5.05 105.19 105.22 1ajb n GLY 140 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 3.64 0.67 0.99 1.02 -0.52 -4.82 118.68 119.65 1ajb s LEU 141 Ca 0.00 1.87 -0.11 0.00 0.02 0.00 0.00 54.13 55.91 1ajb s LEU 141 Cb 0.00 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.66 1ajb s LEU 141 CO 0.00 -1.02 1.05 0.00 0.02 0.00 0.00 176.35 176.40 1ajb s ALA 142 N -2.25 2.76 0.02 4.21 0.00 0.20 -4.25 121.76 122.45 1ajb s ALA 142 Ca 0.65 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1ajb s ALA 142 Cb -0.16 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1ajb s ALA 142 CO 0.30 -1.08 -0.04 0.95 0.00 0.00 0.00 175.76 175.89 1ajb s THR 143 N -3.01 0.29 0.02 0.00 -4.23 -1.26 -1.53 115.64 105.93 1ajb s THR 143 Ca 0.58 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1ajb s THR 143 Cb -0.14 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 1ajb s THR 143 CO 0.53 -0.25 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.49 1ajb s GLY 144 N -0.97 0.29 -0.20 3.99 0.00 0.03 -1.96 107.32 108.51 1ajb s GLY 144 Ca -0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 1ajb s GLY 144 CO -0.00 -0.68 0.07 0.21 0.00 0.00 0.00 173.10 172.70 1ajb s ASN 145 N -1.46 2.73 -0.07 1.64 2.47 0.58 -1.88 114.94 118.96 1ajb s ASN 145 Ca -0.15 -0.79 0.04 0.00 0.42 0.00 0.00 52.86 52.38 1ajb s ASN 145 Cb -0.10 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.29 1ajb s ASN 145 CO -0.01 -0.34 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.17 1ajb s VAL 146 N 2.01 1.51 0.13 -5.21 1.01 0.50 -1.30 120.40 119.05 1ajb s VAL 146 Ca 0.02 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1ajb s VAL 146 Cb -0.16 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1ajb s VAL 146 CO -0.12 0.44 0.26 -0.55 0.00 0.00 0.00 175.10 175.13 1ajb s SER 147 N 0.33 0.05 0.00 3.32 0.15 -0.78 0.07 113.70 116.83 1ajb s SER 147 Ca -0.11 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.03 1ajb s SER 147 Cb -0.15 0.40 0.25 0.00 -1.71 0.00 0.00 66.02 64.82 1ajb s SER 147 CO 0.04 -0.83 1.26 0.35 1.20 0.00 0.00 173.24 175.27 1ajb n THR 148 N -0.16 0.00 -2.55 6.45 -2.24 -0.85 -4.04 114.28 110.88 1ajb n THR 148 Ca -0.11 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1ajb n THR 148 Cb 0.63 1.12 0.08 0.00 -2.10 0.00 0.00 70.33 70.06 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 -2.32 3.70 0.28 6.98 0.00 -1.26 -0.56 121.76 128.58 1ajb s ALA 149 Ca 0.24 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1ajb s ALA 149 Cb 0.19 -2.11 -0.10 0.00 0.00 0.00 0.00 23.12 21.10 1ajb s ALA 149 CO 0.47 -1.19 1.31 -1.83 0.00 0.00 0.00 175.76 174.53 1ajb s GLU 150 N -5.02 4.37 0.00 0.00 -1.05 -1.25 -1.38 118.70 114.36 1ajb s GLU 150 Ca 0.62 2.16 0.03 0.00 -0.15 0.00 0.00 54.97 57.64 1ajb s GLU 150 Cb -0.08 -3.12 0.17 0.00 -0.44 0.00 0.00 34.13 30.66 1ajb s GLU 150 CO 0.42 -0.21 1.00 1.28 0.95 0.00 0.00 175.26 178.71 1ajb n LEU 151 N 1.53 0.00 -0.21 1.83 4.77 -0.37 -0.33 117.00 124.23 1ajb n LEU 151 Ca 0.02 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1ajb n LEU 151 Cb 0.42 -0.37 0.38 0.00 -2.33 0.00 0.00 43.42 41.52 1ajb n LEU 151 CO 0.59 -0.33 0.65 0.00 -1.33 0.00 0.00 177.39 176.97 1ajb n GLN 152 N -1.37 0.73 -1.94 3.23 3.00 -1.26 -3.80 117.38 115.96 1ajb n GLN 152 Ca 0.01 -0.41 -0.36 0.00 -0.01 0.00 0.00 57.00 56.23 1ajb n GLN 152 Cb 0.03 -1.49 0.04 0.00 0.00 0.00 0.00 30.24 28.82 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 -2.56 2.71 0.38 1.08 0.00 0.55 -4.69 107.32 104.80 1ajb s GLY 153 Ca 0.23 1.01 0.18 0.00 0.00 0.00 0.00 44.72 46.14 1ajb s GLY 153 CO 0.54 1.40 1.70 0.00 0.00 0.00 0.00 173.10 176.75 1ajb h ALA 154 N 0.75 2.18 0.04 3.20 0.00 -1.90 -2.30 119.26 121.24 1ajb h ALA 154 Ca -0.50 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ajb h ALA 154 Cb 1.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ajb h ALA 154 CO 0.54 -0.70 -0.02 1.15 0.00 0.00 0.00 179.25 180.22 1ajb h THR 155 N 0.34 1.21 -0.68 0.00 2.02 -1.90 -1.51 112.91 112.39 1ajb h THR 155 Ca 0.69 -1.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 1ajb h THR 155 Cb 1.72 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 70.30 1ajb h THR 155 CO -0.44 0.38 0.14 1.55 0.37 0.00 0.00 175.52 177.52 1ajb h PRO 156 N -0.91 1.10 -0.80 6.66 0.13 -1.83 -3.23 132.00 133.12 1ajb h PRO 156 Ca -0.01 -0.28 0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1ajb h PRO 156 Cb 0.66 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 1ajb h PRO 156 CO 0.01 0.99 0.44 0.00 -0.23 0.00 0.00 178.00 179.21 1ajb h ALA 157 N 1.10 1.13 0.00 -0.56 0.00 -1.45 -1.92 119.26 117.57 1ajb h ALA 157 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ajb h ALA 157 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ajb h ALA 157 CO 0.01 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.43 1ajb h ALA 158 N 1.45 1.11 0.00 0.00 0.00 -1.29 0.14 119.26 120.68 1ajb h ALA 158 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1ajb h ALA 158 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ajb h ALA 158 CO -0.26 -0.11 -0.59 1.25 0.00 0.00 0.00 179.25 179.54 1ajb h LEU 159 N 0.00 0.00 -0.08 0.00 5.85 -1.51 -3.40 115.31 116.17 1ajb h LEU 159 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ajb h LEU 159 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ajb h LEU 159 CO 0.00 0.28 0.00 1.33 -0.34 0.00 0.00 178.44 179.71 1ajb n VAL 160 N -3.04 0.00 -4.27 1.05 0.24 -0.56 -4.41 118.33 107.34 1ajb n VAL 160 Ca 0.00 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 61.81 1ajb n VAL 160 Cb 0.66 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.48 1.70 -0.49 2.33 0.00 0.40 -4.36 121.76 120.86 1ajb s ALA 161 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1ajb s ALA 161 Cb 0.00 -0.17 0.14 0.00 0.00 0.00 0.00 23.12 23.09 1ajb s ALA 161 CO 0.00 0.25 0.29 -1.01 0.00 0.00 0.00 175.76 175.29 1ajb s HIS 162 N -1.60 2.37 0.13 0.00 0.09 -1.25 -3.70 115.29 111.32 1ajb s HIS 162 Ca 0.08 -2.70 0.06 0.00 -0.00 0.00 0.00 55.06 52.50 1ajb s HIS 162 Cb -0.08 -2.10 -0.04 0.00 -0.00 0.00 0.00 32.58 30.36 1ajb s HIS 162 CO 0.04 -0.74 -0.14 0.14 -0.00 0.00 0.00 174.74 174.04 1ajb s VAL 163 N -0.07 1.35 -1.28 -0.90 -7.23 0.58 -4.95 120.40 107.89 1ajb s VAL 163 Ca 0.20 -1.77 0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1ajb s VAL 163 Cb -0.19 -1.58 0.33 0.00 0.56 0.00 0.00 36.38 35.50 1ajb s VAL 163 CO -0.04 -0.45 1.86 0.35 -0.31 0.00 0.00 175.10 176.51 1ajb n THR 164 N 0.43 0.00 -3.77 5.32 -2.24 -1.26 -0.98 114.28 111.78 1ajb n THR 164 Ca -0.15 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1ajb n THR 164 Cb 0.57 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.75 -0.13 0.38 3.42 0.15 -1.25 -4.17 113.70 109.35 1ajb s SER 165 Ca 0.21 0.31 0.26 0.00 0.70 0.00 0.00 55.95 57.43 1ajb s SER 165 Cb 0.19 0.24 1.37 0.00 -1.71 0.00 0.00 66.02 66.11 1ajb s SER 165 CO 0.52 -0.11 1.81 0.08 1.20 0.00 0.00 173.24 176.74 1ajb h ARG 166 N 6.75 0.00 0.00 5.44 0.11 -0.68 -2.80 114.38 123.20 1ajb h ARG 166 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1ajb h ARG 166 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1ajb h ARG 166 CO 0.42 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.12 1ajb n LYS 167 N -2.44 0.03 -1.49 0.08 4.01 -1.26 -4.38 118.16 112.72 1ajb n LYS 167 Ca -0.01 0.19 -0.40 0.00 -0.51 0.00 0.00 58.31 57.58 1ajb n LYS 167 Cb 0.08 -1.55 -0.02 0.00 -0.51 0.00 0.00 35.03 33.03 1ajb n LYS 167 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ajb h TYR 169 N 5.31 -0.79 -4.49 0.00 -1.99 -1.89 0.16 116.97 113.27 1ajb h TYR 169 Ca 0.77 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 61.06 1ajb h TYR 169 Cb 0.40 0.30 -0.11 0.00 2.00 0.00 0.00 36.73 39.32 1ajb h TYR 169 CO 1.73 -0.40 -0.39 0.41 -0.00 0.00 0.00 178.16 179.51 1ajb n GLY 170 N -1.34 3.21 0.36 3.88 0.00 -1.26 -1.01 105.19 109.03 1ajb n GLY 170 Ca -0.08 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.03 0.04 1.61 0.11 -1.90 -2.31 132.00 129.51 1ajb h PRO 171 Ca -0.23 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.91 1ajb h PRO 171 Cb 1.02 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1ajb h PRO 171 CO 0.35 -0.02 -0.46 0.77 -0.21 0.00 0.00 178.00 178.43 1ajb h SER 172 N -0.03 -1.40 -0.78 -2.05 0.02 -1.98 -2.00 113.55 105.32 1ajb h SER 172 Ca 0.36 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1ajb h SER 172 Cb 0.61 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1ajb h SER 172 CO -0.91 -0.50 0.44 0.00 -1.14 0.00 0.00 176.83 174.73 1ajb h ALA 173 N -0.22 1.00 -0.47 3.77 0.00 -1.79 -2.66 119.26 118.88 1ajb h ALA 173 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ajb h ALA 173 Cb 0.70 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ajb h ALA 173 CO -0.31 0.49 0.22 1.15 0.00 0.00 0.00 179.25 180.80 1ajb h THR 174 N 1.08 1.19 -0.75 0.00 2.02 -1.13 0.47 112.91 115.78 1ajb h THR 174 Ca 0.28 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1ajb h THR 174 Cb 0.01 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1ajb h THR 174 CO -0.05 0.22 0.50 0.28 0.37 0.00 0.00 175.52 176.84 1ajb h SER 175 N 0.62 0.81 0.07 4.18 0.02 -1.03 0.40 113.55 118.63 1ajb h SER 175 Ca 0.16 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ajb h SER 175 Cb 0.14 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ajb h SER 175 CO -0.02 0.57 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.13 1ajb h GLU 176 N 0.95 -0.08 0.01 3.45 4.81 -1.21 -3.34 114.58 119.16 1ajb h GLU 176 Ca 0.29 0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 59.16 1ajb h GLU 176 Cb 0.00 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1ajb h GLU 176 CO -0.08 0.41 -2.31 1.63 -0.73 0.00 0.00 179.01 177.94 1ajb n LYS 177 N -4.78 0.68 -3.00 1.92 5.02 0.16 -4.52 118.16 113.64 1ajb n LYS 177 Ca -0.06 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1ajb n LYS 177 Cb 0.26 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 3.08 0.30 0.00 0.00 0.11 -1.58 0.18 132.00 134.09 1ajb h PRO 179 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ajb h PRO 179 Cb 0.55 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1ajb h PRO 179 CO 0.80 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 1ajb n GLY 180 N -1.35 -0.55 0.00 -0.55 0.00 -1.26 -1.04 105.19 100.44 1ajb n GLY 180 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1ajb n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ajb n ASN 181 N -1.08 0.77 -4.72 1.61 5.03 0.59 -4.40 115.26 113.06 1ajb n ASN 181 Ca 0.10 -0.56 -0.42 0.00 0.87 0.00 0.00 54.58 54.56 1ajb n ASN 181 Cb 0.07 1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 39.85 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 -1.25 2.51 -0.17 5.41 0.00 -0.21 -0.40 120.51 126.40 1ajb n ALA 182 Ca 0.01 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1ajb n ALA 182 Cb 0.12 -2.47 0.01 0.00 0.00 0.00 0.00 19.45 17.11 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 5.66 0.71 -2.36 0.00 5.85 -1.87 0.29 115.31 123.59 1ajb h LEU 183 Ca -0.45 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1ajb h LEU 183 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1ajb h LEU 183 CO 0.87 0.71 0.00 -0.33 -0.34 0.00 0.00 178.44 179.34 1ajb h GLU 184 N 0.67 0.00 -0.65 1.25 3.07 -1.88 0.05 114.58 117.10 1ajb h GLU 184 Ca 0.16 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 1ajb h GLU 184 Cb 0.24 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 1ajb h GLU 184 CO -0.01 0.00 0.14 1.63 -1.40 0.00 0.00 179.01 179.37 1ajb n LYS 185 N -2.95 4.19 -0.96 2.33 5.02 -0.36 -4.91 118.16 120.53 1ajb n LYS 185 Ca -0.02 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 1ajb n LYS 185 Cb 0.13 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1ajb n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ajb n GLY 186 N 0.15 0.62 3.34 0.72 0.00 0.01 -4.89 105.19 105.14 1ajb n GLY 186 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 1ajb n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajb n GLY 187 N -2.74 -1.33 0.01 -0.02 0.00 0.89 -4.96 105.19 97.04 1ajb n GLY 187 Ca 0.00 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.44 1ajb n GLY 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ajb n LYS 188 N -3.39 0.11 0.00 1.61 3.00 -1.01 -4.21 118.16 114.26 1ajb n LYS 188 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1ajb n LYS 188 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1ajb n LYS 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajb n GLY 189 N 1.45 1.49 3.73 3.14 0.00 0.47 -4.45 105.19 111.02 1ajb n GLY 189 Ca 0.09 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 2.70 0.16 1.61 1.04 -1.26 -4.65 113.70 113.31 1ajb s SER 190 Ca 0.00 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1ajb s SER 190 Cb 0.00 -1.35 0.10 0.00 0.10 0.00 0.00 66.02 64.87 1ajb s SER 190 CO 0.00 -3.05 1.69 0.40 0.98 0.00 0.00 173.24 173.27 1ajb h ILE 191 N -1.84 0.68 -0.72 -1.02 2.04 -0.61 0.10 117.51 116.14 1ajb h ILE 191 Ca -0.50 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1ajb h ILE 191 Cb 1.32 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1ajb h ILE 191 CO 0.53 0.01 0.20 0.74 0.00 0.00 0.00 178.15 179.64 1ajb h THR 192 N 0.08 1.26 -0.49 -0.27 2.02 -1.30 0.31 112.91 114.52 1ajb h THR 192 Ca 0.19 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 1ajb h THR 192 Cb 0.28 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1ajb h THR 192 CO -0.34 0.36 -0.20 -0.33 0.37 0.00 0.00 175.52 175.38 1ajb h GLU 193 N 1.08 1.00 -0.45 6.66 5.08 -1.59 -1.47 114.58 124.88 1ajb h GLU 193 Ca 0.23 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1ajb h GLU 193 Cb 0.34 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ajb h GLU 193 CO -0.00 1.10 -0.04 1.96 -1.00 0.00 0.00 179.01 181.02 1ajb h GLN 194 N 0.85 0.75 -0.03 2.33 4.20 -0.15 0.50 115.11 123.57 1ajb h GLN 194 Ca 0.11 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1ajb h GLN 194 Cb 0.78 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 1ajb h GLN 194 CO 0.06 0.79 -0.46 1.25 -0.67 0.00 0.00 178.83 179.81 1ajb h LEU 195 N 0.70 -1.40 -0.29 1.46 7.12 0.18 0.29 115.31 123.36 1ajb h LEU 195 Ca 0.13 0.17 0.02 0.00 0.13 0.00 0.00 57.88 58.33 1ajb h LEU 195 Cb 0.49 0.55 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 1ajb h LEU 195 CO 0.02 -0.47 0.14 -0.07 -0.13 0.00 0.00 178.44 177.93 1ajb h LEU 196 N -0.59 0.21 -1.52 2.25 4.07 -0.87 -1.74 115.31 117.12 1ajb h LEU 196 Ca 0.04 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1ajb h LEU 196 Cb 0.67 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 1ajb h LEU 196 CO -0.35 0.16 -0.20 0.78 -1.08 0.00 0.00 178.44 177.75 1ajb h ASN 197 N 0.30 0.05 0.62 -0.43 2.35 -0.45 -2.89 115.58 115.12 1ajb h ASN 197 Ca 0.12 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1ajb h ASN 197 Cb 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1ajb h ASN 197 CO -0.09 0.26 -0.41 0.00 -1.65 0.00 0.00 177.43 175.54 1ajb h ALA 198 N 1.75 1.12 -6.48 -0.83 0.00 0.49 -3.48 119.26 111.83 1ajb h ALA 198 Ca 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 54.91 54.12 1ajb h ALA 198 Cb 0.38 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ajb h ALA 198 CO 0.03 0.51 -0.89 -2.13 0.00 0.00 0.00 179.25 176.76 1ajb n ARG 199 N -3.76 -1.16 -1.51 0.00 0.63 -1.07 -4.98 116.66 104.81 1ajb n ARG 199 Ca -0.01 0.65 -0.31 0.00 -0.92 0.00 0.00 57.85 57.26 1ajb n ARG 199 Cb 0.48 -3.23 0.06 0.00 0.45 0.00 0.00 32.46 30.22 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 -3.21 2.58 -0.01 5.13 0.00 -1.26 -4.96 121.76 120.03 1ajb s ALA 200 Ca 0.21 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1ajb s ALA 200 Cb -0.10 -3.19 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 1ajb s ALA 200 CO 0.88 -1.35 1.11 -0.44 0.00 0.00 0.00 175.76 175.97 1ajb h ASP 201 N -0.81 0.40 -3.16 0.00 5.19 -1.71 -3.42 116.42 112.91 1ajb h ASP 201 Ca -0.44 -0.72 -0.66 0.00 -0.62 0.00 0.00 57.03 54.59 1ajb h ASP 201 Cb 1.22 -0.12 -0.34 0.00 0.18 0.00 0.00 39.33 40.26 1ajb h ASP 201 CO 0.56 1.06 -0.86 -0.69 -3.12 0.00 0.00 179.24 176.18 1ajb s VAL 202 N -3.36 2.00 -0.12 -1.35 1.01 -1.00 -0.46 120.40 117.11 1ajb s VAL 202 Ca -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ajb s VAL 202 Cb 0.03 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ajb s VAL 202 CO 0.78 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 175.39 1ajb s THR 203 N 1.01 1.45 -0.04 3.92 2.01 -0.52 -0.30 115.64 123.16 1ajb s THR 203 Ca -0.03 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1ajb s THR 203 Cb -0.15 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1ajb s THR 203 CO -0.06 0.43 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.52 1ajb s LEU 204 N 1.29 1.26 0.00 4.42 1.43 -0.42 -1.04 118.68 125.62 1ajb s LEU 204 Ca -0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1ajb s LEU 204 Cb -0.14 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1ajb s LEU 204 CO -0.06 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1ajb n GLY 205 N 4.08 -0.89 0.00 -3.19 0.00 -0.81 -1.87 105.19 102.50 1ajb n GLY 205 Ca -0.26 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 1.98 1.19 -0.02 0.00 -0.48 -1.11 105.19 106.75 1ajb n GLY 206 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.86 0.26 -0.02 0.00 0.34 -1.23 105.19 110.41 1ajb n GLY 207 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 1.26 -0.12 4.61 0.00 -0.91 -3.20 119.26 120.90 1ajb h ALA 208 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ajb h ALA 208 Cb 0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1ajb h ALA 208 CO 0.00 0.14 -0.30 -0.22 0.00 0.00 0.00 179.25 178.87 1ajb h LYS 209 N 0.00 -0.37 0.00 0.00 3.11 -1.53 -0.52 116.57 117.26 1ajb h LYS 209 Ca -0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1ajb h LYS 209 Cb 0.34 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1ajb h LYS 209 CO 0.01 -0.24 0.00 1.15 -2.81 0.00 0.00 179.45 177.56 1ajb h THR 210 N -0.38 0.00 0.00 1.00 2.02 -1.82 -1.75 112.91 111.98 1ajb h THR 210 Ca 0.09 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ajb h THR 210 Cb 0.52 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ajb h THR 210 CO -0.33 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.05 1ajb n PHE 211 N -3.07 0.00 0.77 3.16 3.01 -0.20 -1.34 117.46 119.78 1ajb n PHE 211 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 1ajb n PHE 211 Cb 0.14 -0.33 0.46 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.33 2.40 -1.76 4.37 0.00 -0.66 -0.90 120.51 122.62 1ajb n ALA 212 Ca 0.08 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ajb n ALA 212 Cb 0.17 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.20 1ajb n ALA 212 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ajb s GLU 213 N -3.07 3.35 -0.09 0.00 2.12 -0.45 -4.68 118.70 115.89 1ajb s GLU 213 Ca 0.11 1.78 -0.01 0.00 0.36 0.00 0.00 54.97 57.22 1ajb s GLU 213 Cb 0.15 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1ajb s GLU 213 CO 0.59 -0.89 -0.05 -0.08 -0.54 0.00 0.00 175.26 174.28 1ajb s THR 214 N -1.61 3.81 0.32 -1.70 -1.32 -1.26 0.13 115.64 114.01 1ajb s THR 214 Ca 0.71 -0.43 -0.28 0.00 -1.21 0.00 0.00 61.69 60.48 1ajb s THR 214 Cb -0.29 -2.59 -0.10 0.00 -1.51 0.00 0.00 72.50 68.02 1ajb s THR 214 CO 0.33 0.57 1.21 0.00 -2.21 0.00 0.00 174.62 174.52 1ajb s ALA 215 N -0.49 3.41 -0.68 11.08 0.00 -0.48 -4.82 121.76 129.77 1ajb s ALA 215 Ca 0.08 1.08 0.25 0.00 0.00 0.00 0.00 51.96 53.37 1ajb s ALA 215 Cb -0.12 -3.41 0.65 0.00 0.00 0.00 0.00 23.12 20.24 1ajb s ALA 215 CO 0.02 -0.45 1.65 1.79 0.00 0.00 0.00 175.76 178.77 1ajb h THR 216 N 2.94 0.00 -1.82 0.00 1.35 -1.92 0.03 112.91 113.49 1ajb h THR 216 Ca -0.48 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1ajb h THR 216 Cb 1.22 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1ajb h THR 216 CO 0.65 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 1ajb n ALA 217 N -1.83 0.00 -0.02 6.62 0.00 -1.26 -4.84 120.51 119.18 1ajb n ALA 217 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ajb n ALA 217 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 -1.57 0.00 0.00 0.00 -1.26 -2.82 105.19 99.54 1ajb n GLY 218 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.55 1ajb n GLY 218 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ajb n GLU 219 N -1.69 0.37 -0.57 1.61 -0.58 -1.26 -2.09 120.64 116.45 1ajb n GLU 219 Ca -0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1ajb n GLU 219 Cb 0.01 -1.39 0.14 0.00 -0.57 0.00 0.00 31.44 29.63 1ajb n GLU 219 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1ajb n TRP 220 N -0.89 0.00 -1.57 -0.32 8.01 -1.26 -5.09 117.44 116.33 1ajb n TRP 220 Ca 0.07 -1.05 -0.39 0.00 -1.31 0.00 0.00 57.50 54.82 1ajb n TRP 220 Cb 0.03 -0.18 0.04 0.00 -2.01 0.00 0.00 31.31 29.18 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 -0.86 0.91 0.00 -0.99 7.27 -0.89 -2.51 117.38 120.31 1ajb n GLN 221 Ca 0.14 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1ajb n GLN 221 Cb 0.75 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.39 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 1.40 1.83 3.81 1.69 0.00 -0.01 -4.87 105.19 109.05 1ajb n GLY 222 Ca 0.12 0.00 -0.33 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 0.00 3.50 0.71 1.61 3.01 -1.05 -4.75 119.74 122.77 1ajb s LYS 223 Ca 0.00 1.14 -0.11 0.00 -1.01 0.00 0.00 55.97 55.99 1ajb s LYS 223 Cb 0.00 -2.06 0.01 0.00 -1.01 0.00 0.00 37.83 34.77 1ajb s LYS 223 CO 0.00 -0.66 1.07 0.95 0.51 0.00 0.00 175.35 177.22 1ajb s THR 224 N -2.49 3.90 0.44 2.17 -4.23 -1.26 -1.38 115.64 112.79 1ajb s THR 224 Ca 0.62 0.62 0.18 0.00 -1.18 0.00 0.00 61.69 61.93 1ajb s THR 224 Cb -0.14 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.51 1ajb s THR 224 CO 0.35 -0.81 2.01 -0.07 -0.54 0.00 0.00 174.62 175.57 1ajb h LEU 225 N -0.74 0.00 0.09 4.79 4.07 -0.15 0.14 115.31 123.51 1ajb h LEU 225 Ca -0.44 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.51 1ajb h LEU 225 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1ajb h LEU 225 CO 0.58 0.17 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.98 1ajb h ARG 226 N 0.00 -0.12 -0.46 1.13 2.43 -1.27 -0.25 114.38 115.84 1ajb h ARG 226 Ca -0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1ajb h ARG 226 Cb 0.33 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1ajb h ARG 226 CO 0.02 0.12 0.15 0.93 -1.51 0.00 0.00 179.97 179.68 1ajb h GLU 227 N -0.34 0.31 -0.72 0.20 5.08 -1.67 -1.36 114.58 116.07 1ajb h GLU 227 Ca -0.01 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1ajb h GLU 227 Cb 0.29 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1ajb h GLU 227 CO 0.02 0.20 0.37 0.37 -1.00 0.00 0.00 179.01 178.98 1ajb h GLN 228 N 0.32 0.62 -0.68 2.33 4.15 -0.87 0.10 115.11 121.08 1ajb h GLN 228 Ca 0.22 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ajb h GLN 228 Cb 0.23 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1ajb h GLN 228 CO -0.23 0.41 0.38 0.00 -1.93 0.00 0.00 178.83 177.46 1ajb h ALA 229 N 1.42 0.87 -0.16 3.38 0.00 0.03 0.39 119.26 125.19 1ajb h ALA 229 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ajb h ALA 229 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ajb h ALA 229 CO -0.26 0.37 0.02 0.93 0.00 0.00 0.00 179.25 180.31 1ajb h GLU 230 N 0.93 0.27 -0.56 0.00 5.08 -0.51 -0.96 114.58 118.83 1ajb h GLU 230 Ca 0.24 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1ajb h GLU 230 Cb 0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1ajb h GLU 230 CO -0.04 0.45 0.36 0.00 -1.00 0.00 0.00 179.01 178.79 1ajb h ALA 231 N 0.80 0.71 0.00 3.43 0.00 -0.63 -1.71 119.26 121.86 1ajb h ALA 231 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ajb h ALA 231 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ajb h ALA 231 CO 0.00 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.92 1ajb n ARG 232 N -4.71 0.12 0.00 0.00 1.74 0.11 -4.85 116.66 109.07 1ajb n ARG 232 Ca 0.04 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1ajb n ARG 232 Cb 0.03 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 0.10 1.31 3.79 -0.13 0.00 -0.64 -5.03 105.19 104.59 1ajb n GLY 233 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.10 -0.32 1.61 1.51 -0.42 -3.92 117.35 116.90 1ajb s TYR 234 Ca 0.00 1.60 -0.12 0.00 -1.01 0.00 0.00 57.07 57.54 1ajb s TYR 234 Cb 0.00 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.75 1ajb s TYR 234 CO 0.00 -0.73 0.22 1.14 -1.11 0.00 0.00 175.55 175.07 1ajb s GLN 235 N -2.97 3.56 0.06 -0.62 -2.07 0.83 -4.61 119.66 113.83 1ajb s GLN 235 Ca 0.64 -0.59 -0.19 0.00 -1.82 0.00 0.00 55.36 53.40 1ajb s GLN 235 Cb -0.18 -3.75 -0.06 0.00 -1.09 0.00 0.00 33.01 27.93 1ajb s GLN 235 CO 0.22 -0.39 0.54 -0.51 -1.32 0.00 0.00 175.29 173.83 1ajb s LEU 236 N 1.72 4.51 0.01 2.60 1.02 -1.26 -0.78 118.68 126.51 1ajb s LEU 236 Ca 0.06 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.42 1ajb s LEU 236 Cb -0.17 -2.84 -0.01 0.00 0.02 0.00 0.00 46.19 43.19 1ajb s LEU 236 CO 0.10 0.28 -0.03 -0.69 0.02 0.00 0.00 176.35 176.03 1ajb s VAL 237 N -1.05 0.15 0.00 -1.59 1.01 -0.57 -4.96 120.40 113.38 1ajb s VAL 237 Ca 0.28 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1ajb s VAL 237 Cb -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1ajb s VAL 237 CO 0.18 -0.26 0.27 -1.54 0.00 0.00 0.00 175.10 173.75 1ajb n SER 238 N 2.21 0.48 -3.78 3.32 3.41 -1.26 -0.95 113.62 117.05 1ajb n SER 238 Ca -0.19 -1.04 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 1ajb n SER 238 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.04 0.24 0.21 4.04 1.47 -1.26 -4.48 116.67 116.84 1ajb s ASP 239 Ca 0.00 -1.17 -0.08 0.00 1.18 0.00 0.00 52.55 52.48 1ajb s ASP 239 Cb 0.00 0.58 0.16 0.00 -0.34 0.00 0.00 42.92 43.33 1ajb s ASP 239 CO 0.00 -1.15 1.80 0.00 0.68 0.00 0.00 175.17 176.50 1ajb h ALA 240 N 2.26 1.03 -0.18 2.11 0.00 -0.85 -2.36 119.26 121.26 1ajb h ALA 240 Ca -0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1ajb h ALA 240 Cb 1.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ajb h ALA 240 CO 0.39 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 180.24 1ajb h ALA 241 N 1.20 0.25 -0.72 0.00 0.00 -1.88 -0.66 119.26 117.45 1ajb h ALA 241 Ca 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ajb h ALA 241 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ajb h ALA 241 CO -0.03 -0.04 0.45 0.66 0.00 0.00 0.00 179.25 180.28 1ajb h SER 242 N 0.08 0.85 -0.58 0.00 4.64 -1.96 -0.47 113.55 116.11 1ajb h SER 242 Ca 0.05 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ajb h SER 242 Cb 0.39 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1ajb h SER 242 CO 0.01 0.65 0.36 0.25 -0.87 0.00 0.00 176.83 177.22 1ajb h LEU 243 N 0.99 0.69 -1.60 5.97 5.85 -0.83 -1.81 115.31 124.57 1ajb h LEU 243 Ca 0.26 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1ajb h LEU 243 Cb -0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1ajb h LEU 243 CO -0.05 0.53 -0.21 0.78 -0.34 0.00 0.00 178.44 179.15 1ajb h ASN 244 N 0.78 0.00 1.27 1.25 2.35 -0.08 -1.97 115.58 119.18 1ajb h ASN 244 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1ajb h ASN 244 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ajb h ASN 244 CO -0.04 0.21 0.00 -1.54 -1.65 0.00 0.00 177.43 174.41 1ajb n SER 245 N -3.80 0.64 -4.68 5.81 3.41 -0.29 -4.82 113.62 109.90 1ajb n SER 245 Ca -0.02 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1ajb n SER 245 Cb 0.31 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1ajb n SER 245 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ajb s VAL 246 N -3.11 3.23 -0.03 -3.33 1.01 -0.74 -4.87 120.40 112.55 1ajb s VAL 246 Ca 0.10 0.56 0.14 0.00 0.00 0.00 0.00 61.98 62.78 1ajb s VAL 246 Cb 0.13 -3.36 -0.21 0.00 0.00 0.00 0.00 36.38 32.94 1ajb s VAL 246 CO 0.55 -0.02 0.28 0.35 0.00 0.00 0.00 175.10 176.26 1ajb n THR 247 N 4.96 0.09 -4.35 3.92 -2.24 -1.26 -4.99 114.28 110.41 1ajb n THR 247 Ca 0.16 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 1ajb n THR 247 Cb 0.41 0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 1ajb n THR 247 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ajb s GLU 248 N -2.90 0.95 -0.24 -0.78 8.01 -1.26 -4.96 118.70 117.52 1ajb s GLU 248 Ca -0.05 -0.78 -0.06 0.00 0.01 0.00 0.00 54.97 54.08 1ajb s GLU 248 Cb 0.08 -0.96 0.12 0.00 -4.31 0.00 0.00 34.13 29.06 1ajb s GLU 248 CO 0.57 0.24 0.49 0.00 0.01 0.00 0.00 175.26 176.57 1ajb s ALA 249 N -0.89 -1.48 0.15 5.21 0.00 -1.26 -4.83 121.76 118.66 1ajb s ALA 249 Ca 0.02 1.65 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 1ajb s ALA 249 Cb -0.08 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.49 1ajb s ALA 249 CO 0.01 -0.94 0.42 0.27 0.00 0.00 0.00 175.76 175.52 1ajb n ASN 250 N 5.41 -1.00 0.27 0.00 2.04 -0.52 -4.79 115.26 116.67 1ajb n ASN 250 Ca -0.08 -1.64 0.13 0.00 -0.44 0.00 0.00 54.58 52.55 1ajb n ASN 250 Cb 0.50 1.65 0.78 0.00 -2.53 0.00 0.00 39.78 40.18 1ajb n ASN 250 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 1ajb h GLN 251 N 0.00 0.00 -0.26 -3.83 1.08 -1.93 -1.31 115.11 108.86 1ajb h GLN 251 Ca -0.15 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.93 1ajb h GLN 251 Cb 0.58 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.94 1ajb h GLN 251 CO 0.19 0.07 -0.14 0.94 -0.95 0.00 0.00 178.83 178.95 1ajb n GLN 252 N -3.82 1.88 -2.73 1.46 0.00 -1.26 -4.55 117.38 108.35 1ajb n GLN 252 Ca -0.02 -3.14 -0.09 0.00 -0.00 0.00 0.00 57.00 53.75 1ajb n GLN 252 Cb 0.17 -1.77 0.08 0.00 0.00 0.00 0.00 30.24 28.73 1ajb n GLN 252 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ajb n LYS 253 N -1.08 0.97 -2.83 3.69 4.81 -0.83 -4.95 118.16 117.95 1ajb n LYS 253 Ca 0.28 -1.89 -0.40 0.00 -0.87 0.00 0.00 58.31 55.43 1ajb n LYS 253 Cb 0.94 -1.12 -0.05 0.00 0.02 0.00 0.00 35.03 34.81 1ajb n LYS 253 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ajb s PRO 254 N 0.35 4.70 0.06 1.64 0.04 -0.56 -1.44 135.00 139.80 1ajb s PRO 254 Ca 0.24 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 1ajb s PRO 254 Cb 0.28 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1ajb s PRO 254 CO -0.09 0.42 0.68 -1.17 0.04 0.00 0.00 177.00 176.88 1ajb s LEU 255 N -0.71 4.48 -0.20 -3.56 2.96 0.40 -0.12 118.68 121.93 1ajb s LEU 255 Ca 0.41 1.36 -0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1ajb s LEU 255 Cb -0.24 -3.08 0.06 0.00 0.50 0.00 0.00 46.19 43.43 1ajb s LEU 255 CO 0.29 0.13 0.03 -0.22 -1.32 0.00 0.00 176.35 175.26 1ajb s LEU 256 N -0.50 1.29 -0.24 -0.68 2.96 0.04 -1.44 118.68 120.11 1ajb s LEU 256 Ca 0.34 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 1ajb s LEU 256 Cb -0.20 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 1ajb s LEU 256 CO 0.21 -0.30 0.05 -0.83 -1.32 0.00 0.00 176.35 174.16 1ajb s GLY 257 N 1.82 1.74 -0.50 7.98 0.00 -0.21 -1.52 107.32 116.64 1ajb s GLY 257 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1ajb s GLY 257 CO -0.08 0.47 0.27 1.08 0.00 0.00 0.00 173.10 174.84 1ajb s LEU 258 N 1.47 4.89 0.00 0.66 1.43 -0.12 -1.93 118.68 125.09 1ajb s LEU 258 Ca 0.06 -2.61 0.28 0.00 -1.03 0.00 0.00 54.13 50.83 1ajb s LEU 258 Cb -0.15 -1.75 1.14 0.00 0.03 0.00 0.00 46.19 45.47 1ajb s LEU 258 CO 0.02 -0.37 1.80 0.49 0.23 0.00 0.00 176.35 178.53 1ajb n PHE 259 N 3.74 0.00 -3.48 0.29 3.72 -0.26 -4.48 117.46 116.98 1ajb n PHE 259 Ca 0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1ajb n PHE 259 Cb 0.38 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 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 -2.32 -1.52 0.09 4.37 0.00 -1.26 -4.97 121.76 116.15 1ajb s ALA 260 Ca 0.32 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.74 1ajb s ALA 260 Cb 0.20 0.62 -0.11 0.00 0.00 0.00 0.00 23.12 23.84 1ajb s ALA 260 CO 0.44 -0.64 1.38 -0.44 0.00 0.00 0.00 175.76 176.50 1ajb h ASP 261 N 2.35 0.78 0.00 0.00 5.19 -1.94 -1.60 116.42 121.21 1ajb h ASP 261 Ca -0.32 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1ajb h ASP 261 Cb 1.26 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1ajb h ASP 261 CO 0.40 1.16 0.00 0.61 -3.12 0.00 0.00 179.24 178.28 1ajb n GLY 262 N 0.33 1.33 3.84 2.75 0.00 -1.26 -1.59 105.19 110.59 1ajb n GLY 262 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 6.84 0.69 1.61 0.01 -1.26 -0.50 114.94 122.52 1ajb s ASN 263 Ca 0.00 1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 53.48 1ajb s ASN 263 Cb 0.00 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.22 1ajb s ASN 263 CO 0.00 -0.29 1.12 -0.04 -1.51 0.00 0.00 177.10 176.38 1ajb s MET 264 N -3.12 2.63 0.52 -0.60 -1.94 0.27 -4.89 119.30 112.18 1ajb s MET 264 Ca 0.58 1.39 -0.23 0.00 -1.71 0.00 0.00 55.69 55.72 1ajb s MET 264 Cb -0.10 -1.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.76 1ajb s MET 264 CO 0.16 -1.38 1.37 -2.14 -0.01 0.00 0.00 175.02 173.02 1ajb s PRO 265 N -4.21 3.28 0.24 2.03 0.02 -1.26 -4.95 135.00 130.16 1ajb s PRO 265 Ca 0.67 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.74 1ajb s PRO 265 Cb -0.21 -2.36 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 1ajb s PRO 265 CO 0.44 -1.09 0.78 0.14 -0.33 0.00 0.00 177.00 176.94 1ajb s VAL 266 N -1.28 4.47 0.13 3.83 -7.23 -1.26 -5.00 120.40 114.06 1ajb s VAL 266 Ca 0.69 1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 62.06 1ajb s VAL 266 Cb -0.41 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.58 1ajb s VAL 266 CO 0.50 0.22 1.65 -0.09 -0.31 0.00 0.00 175.10 177.06 1ajb h ARG 267 N 3.45 -0.29 -6.66 4.82 2.43 -1.91 -3.42 114.38 112.80 1ajb h ARG 267 Ca -0.48 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.03 1ajb h ARG 267 Cb 1.19 0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.59 1ajb h ARG 267 CO 0.65 -0.20 -0.82 -1.58 -1.51 0.00 0.00 179.97 176.52 1ajb s TRP 268 N -6.09 2.50 0.30 2.20 0.51 -1.26 -0.11 118.94 116.99 1ajb s TRP 268 Ca -0.15 -0.29 0.09 0.00 -2.12 0.00 0.00 56.10 53.64 1ajb s TRP 268 Cb 0.10 -1.41 -0.05 0.00 -0.81 0.00 0.00 33.47 31.31 1ajb s TRP 268 CO 0.67 0.28 0.01 -0.51 -0.51 0.00 0.00 176.95 176.88 1ajb s LEU 269 N -1.65 3.09 0.05 2.99 1.43 0.10 -3.72 118.68 120.97 1ajb s LEU 269 Ca 0.15 -0.80 -0.28 0.00 -1.03 0.00 0.00 54.13 52.17 1ajb s LEU 269 Cb -0.10 -1.56 0.09 0.00 0.03 0.00 0.00 46.19 44.65 1ajb s LEU 269 CO 0.06 -0.11 1.04 -0.83 0.23 0.00 0.00 176.35 176.74 1ajb s GLY 270 N -3.70 -0.33 0.78 -3.19 0.00 -1.26 -1.39 107.32 98.23 1ajb s GLY 270 Ca 0.33 0.59 -0.11 0.00 0.00 0.00 0.00 44.72 45.54 1ajb s GLY 270 CO 0.20 0.15 1.09 2.56 0.00 0.00 0.00 173.10 177.10 1ajb s PRO 271 N -2.97 2.22 0.61 2.90 0.04 -1.26 -4.93 135.00 131.60 1ajb s PRO 271 Ca 0.11 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 1ajb s PRO 271 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1ajb s PRO 271 CO -0.02 -1.67 1.10 0.21 0.04 0.00 0.00 177.00 176.66 1ajb s LYS 272 N -4.88 3.10 0.44 4.56 2.20 -1.26 -4.61 119.74 119.28 1ajb s LYS 272 Ca 0.61 1.41 -0.23 0.00 -0.36 0.00 0.00 55.97 57.40 1ajb s LYS 272 Cb -0.17 -1.99 -0.08 0.00 -1.51 0.00 0.00 37.83 34.08 1ajb s LYS 272 CO 0.56 -1.02 1.14 0.00 -0.36 0.00 0.00 175.35 175.67 1ajb s ALA 273 N -2.19 3.02 0.36 3.13 0.00 0.26 -5.01 121.76 121.34 1ajb s ALA 273 Ca 0.68 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1ajb s ALA 273 Cb -0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1ajb s ALA 273 CO 0.36 -0.53 0.10 0.95 0.00 0.00 0.00 175.76 176.63 1ajb s THR 274 N -1.56 0.83 -0.02 0.00 -4.23 -0.64 -4.61 115.64 105.42 1ajb s THR 274 Ca 0.61 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 1ajb s THR 274 Cb -0.27 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1ajb s THR 274 CO 0.33 0.00 1.41 -0.47 -0.54 0.00 0.00 174.62 175.36 1ajb s TYR 275 N -3.30 2.78 -1.46 3.99 5.04 -1.26 -1.01 117.35 122.12 1ajb s TYR 275 Ca 0.30 0.78 -0.10 0.00 -2.44 0.00 0.00 57.07 55.61 1ajb s TYR 275 Cb 0.06 -3.67 0.06 0.00 0.35 0.00 0.00 41.96 38.75 1ajb s TYR 275 CO 0.15 -2.51 0.81 0.72 -1.34 0.00 0.00 175.55 173.37 1ajb n HIS 276 N 5.59 -2.18 0.02 4.97 8.25 -1.26 -4.89 115.22 125.73 1ajb n HIS 276 Ca 0.13 0.73 0.03 0.00 -0.26 0.00 0.00 57.72 58.35 1ajb n HIS 276 Cb 0.44 -3.97 0.39 0.00 1.12 0.00 0.00 29.99 27.96 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 -1.74 0.53 2.00 -1.41 0.00 -1.28 -0.09 103.07 101.08 1ajb h GLY 277 Ca -0.53 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 1ajb h GLY 277 CO 0.60 0.23 -0.42 3.45 0.00 0.00 0.00 176.54 180.40 1ajb h ASN 278 N 0.50 0.00 0.17 0.19 -1.07 -1.82 -0.21 115.58 113.34 1ajb h ASN 278 Ca 0.12 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.14 1ajb h ASN 278 Cb 0.10 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.32 1ajb h ASN 278 CO -0.01 0.42 -2.00 -0.38 0.07 0.00 0.00 177.43 175.53 1ajb n ILE 279 N -3.66 1.73 0.02 6.14 5.41 -0.60 -4.49 119.36 123.91 1ajb n ILE 279 Ca -0.01 -0.68 0.06 0.00 1.00 0.00 0.00 62.75 63.12 1ajb n ILE 279 Cb 0.51 -1.57 -0.10 0.00 -0.71 0.00 0.00 39.64 37.77 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 -3.38 0.48 -4.42 4.38 8.00 -0.15 -4.96 116.55 116.50 1ajb n ASP 280 Ca -0.31 0.20 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 1ajb n ASP 280 Cb 1.05 0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 42.98 1ajb n ASP 280 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ajb s LYS 281 N -3.19 1.53 0.94 -1.24 1.02 -0.09 -5.04 119.74 113.67 1ajb s LYS 281 Ca -0.05 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.17 1ajb s LYS 281 Cb 0.10 -1.57 0.14 0.00 -0.52 0.00 0.00 37.83 35.98 1ajb s LYS 281 CO 0.84 0.29 1.00 -2.30 -0.92 0.00 0.00 175.35 174.26 1ajb n PRO 282 N -0.39 -0.56 -2.18 -1.68 -0.02 -1.26 -4.62 135.00 124.30 1ajb n PRO 282 Ca -0.07 -0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 1ajb n PRO 282 Cb 0.59 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1ajb n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ajb s ALA 283 N -2.58 2.66 -0.00 3.55 0.00 -1.26 -4.68 121.76 119.45 1ajb s ALA 283 Ca 0.65 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1ajb s ALA 283 Cb -0.23 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1ajb s ALA 283 CO 0.60 -0.85 0.09 0.08 0.00 0.00 0.00 175.76 175.69 1ajb s VAL 284 N -1.88 4.81 -0.07 0.00 1.01 0.25 -4.83 120.40 119.70 1ajb s VAL 284 Ca 0.72 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1ajb s VAL 284 Cb -0.23 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1ajb s VAL 284 CO 0.29 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 1ajb s THR 285 N -1.22 2.66 0.47 3.92 2.01 -1.26 -0.94 115.64 121.28 1ajb s THR 285 Ca 0.24 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 1ajb s THR 285 Cb -0.12 -2.03 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 1ajb s THR 285 CO 0.15 0.57 1.00 0.00 -0.69 0.00 0.00 174.62 175.65 1ajb s THR 287 N -2.11 4.14 0.36 0.00 2.01 -0.48 -4.95 115.64 114.62 1ajb s THR 287 Ca 0.65 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1ajb s THR 287 Cb -0.13 -2.82 -0.11 0.00 0.01 0.00 0.00 72.50 69.45 1ajb s THR 287 CO 0.19 0.50 1.47 -2.84 -0.69 0.00 0.00 174.62 173.25 1ajb s PRO 288 N 0.21 4.14 -0.21 4.92 0.02 -1.26 0.02 135.00 142.83 1ajb s PRO 288 Ca -0.01 2.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 1ajb s PRO 288 Cb -0.13 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.38 1ajb s PRO 288 CO 0.02 -0.50 1.48 1.21 -0.33 0.00 0.00 177.00 178.87 1ajb s ASN 289 N -0.13 6.59 0.59 2.53 3.84 0.84 -4.71 114.94 124.50 1ajb s ASN 289 Ca 0.53 1.60 0.37 0.00 0.21 0.00 0.00 52.86 55.57 1ajb s ASN 289 Cb -0.46 -2.54 1.83 0.00 -0.55 0.00 0.00 41.25 39.54 1ajb s ASN 289 CO 0.61 -1.08 2.17 -0.65 -2.79 0.00 0.00 177.10 175.36 1ajb h PRO 290 N 9.76 0.00 -0.58 0.43 0.11 -1.91 -3.04 132.00 136.77 1ajb h PRO 290 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ajb h PRO 290 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ajb h PRO 290 CO 1.00 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 179.85 1ajb n GLN 291 N -3.21 4.72 0.00 1.05 6.02 -1.26 -4.58 117.38 120.12 1ajb n GLN 291 Ca -0.01 -3.13 -0.17 0.00 -0.01 0.00 0.00 57.00 53.67 1ajb n GLN 291 Cb 0.19 -2.22 -0.11 0.00 1.02 0.00 0.00 30.24 29.12 1ajb n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ajb h ARG 292 N 3.95 0.36 0.00 -1.09 0.11 -1.85 -3.48 114.38 112.38 1ajb h ARG 292 Ca 0.00 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1ajb h ARG 292 Cb 1.91 0.11 0.00 0.00 1.11 0.00 0.00 29.97 33.11 1ajb h ARG 292 CO 0.46 1.08 0.00 0.09 0.10 0.00 0.00 179.97 181.69 1ajb n ASN 293 N -4.26 -0.45 0.13 0.08 3.02 -1.26 -4.23 115.26 108.27 1ajb n ASN 293 Ca -0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.56 1ajb n ASN 293 Cb 0.65 0.99 0.49 0.00 -0.61 0.00 0.00 39.78 41.30 1ajb n ASN 293 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ajb n ASP 294 N -1.26 0.67 0.12 6.41 9.92 -1.26 -1.87 116.55 129.29 1ajb n ASP 294 Ca 0.00 0.66 0.13 0.00 -0.53 0.00 0.00 54.79 55.05 1ajb n ASP 294 Cb 0.00 -0.80 0.29 0.00 -0.64 0.00 0.00 41.12 39.97 1ajb n ASP 294 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1ajb h SER 295 N 0.00 0.00 -3.55 -2.24 4.64 -2.01 -3.44 113.55 106.95 1ajb h SER 295 Ca 0.00 -0.04 -0.67 0.00 -0.47 0.00 0.00 61.79 60.61 1ajb h SER 295 Cb 0.38 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.18 1ajb h SER 295 CO 0.00 0.02 -0.68 -0.69 -0.87 0.00 0.00 176.83 174.61 1ajb s VAL 296 N -3.15 3.48 0.46 0.95 1.01 -0.78 -0.18 120.40 122.19 1ajb s VAL 296 Ca 0.08 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1ajb s VAL 296 Cb 0.11 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1ajb s VAL 296 CO 0.65 0.16 1.42 -0.81 0.00 0.00 0.00 175.10 176.52 1ajb n PRO 297 N 4.78 2.20 -1.87 2.72 -0.04 -1.26 -4.79 135.00 136.74 1ajb n PRO 297 Ca -0.16 0.78 -0.29 0.00 -0.04 0.00 0.00 63.50 63.80 1ajb n PRO 297 Cb 0.48 -2.61 0.09 0.00 -0.04 0.00 0.00 33.50 31.42 1ajb n PRO 297 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ajb s THR 298 N -1.20 2.03 0.24 0.52 -4.23 -1.26 -4.84 115.64 106.90 1ajb s THR 298 Ca 0.62 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1ajb s THR 298 Cb -0.45 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1ajb s THR 298 CO 0.57 -0.01 1.88 0.25 -0.54 0.00 0.00 174.62 176.77 1ajb h LEU 299 N -1.08 1.12 -1.28 4.79 5.85 -1.95 -0.81 115.31 121.96 1ajb h LEU 299 Ca -0.46 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.12 1ajb h LEU 299 Cb 1.33 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1ajb h LEU 299 CO 0.66 0.87 -0.11 0.00 -0.34 0.00 0.00 178.44 179.52 1ajb h ALA 300 N 1.32 1.40 -0.02 1.25 0.00 -1.88 -0.12 119.26 121.20 1ajb h ALA 300 Ca 0.33 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ajb h ALA 300 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ajb h ALA 300 CO -0.06 0.41 -0.43 1.96 0.00 0.00 0.00 179.25 181.13 1ajb h GLN 301 N 0.34 0.33 -0.88 0.00 4.20 -1.62 -1.22 115.11 116.27 1ajb h GLN 301 Ca 0.07 -0.33 0.06 0.00 0.06 0.00 0.00 58.65 58.51 1ajb h GLN 301 Cb 0.40 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1ajb h GLN 301 CO 0.02 1.00 0.55 0.52 -0.67 0.00 0.00 178.83 180.25 1ajb h MET 302 N -0.21 0.97 -0.02 1.46 2.86 -0.88 -1.37 114.93 117.75 1ajb h MET 302 Ca -0.05 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ajb h MET 302 Cb 1.13 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1ajb h MET 302 CO 0.09 0.64 -0.07 1.15 1.06 0.00 0.00 176.91 179.78 1ajb h THR 303 N 1.00 0.81 -0.19 2.22 2.02 -0.83 -0.62 112.91 117.32 1ajb h THR 303 Ca 0.38 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.58 1ajb h THR 303 Cb 0.17 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1ajb h THR 303 CO -0.17 0.00 0.06 -0.78 0.37 0.00 0.00 175.52 174.99 1ajb h ASP 304 N -0.12 0.05 -0.40 4.18 3.58 -0.83 -0.08 116.42 122.81 1ajb h ASP 304 Ca 0.04 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1ajb h ASP 304 Cb 0.16 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1ajb h ASP 304 CO -0.09 0.06 0.01 0.11 -2.88 0.00 0.00 179.24 176.45 1ajb h LYS 305 N 0.14 0.70 -0.27 0.28 1.79 -1.01 -1.70 116.57 116.50 1ajb h LYS 305 Ca 0.08 -0.22 0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1ajb h LYS 305 Cb 0.06 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 1ajb h LYS 305 CO -0.09 0.78 -0.10 0.00 -1.08 0.00 0.00 179.45 178.96 1ajb h ALA 306 N 0.89 0.13 -0.74 3.86 0.00 -0.78 -0.05 119.26 122.57 1ajb h ALA 306 Ca 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ajb h ALA 306 Cb 0.46 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1ajb h ALA 306 CO 0.02 -0.50 0.35 0.82 0.00 0.00 0.00 179.25 179.93 1ajb h ILE 307 N -0.05 1.24 0.38 0.00 2.04 -0.71 -0.04 117.51 120.37 1ajb h ILE 307 Ca 0.14 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1ajb h ILE 307 Cb 0.26 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1ajb h ILE 307 CO -0.31 0.29 -0.18 -0.08 0.00 0.00 0.00 178.15 177.87 1ajb h GLU 308 N 1.05 -0.49 0.34 2.37 4.81 -0.64 0.12 114.58 122.14 1ajb h GLU 308 Ca 0.25 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1ajb h GLU 308 Cb 0.14 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ajb h GLU 308 CO -0.03 -0.31 -0.16 -0.07 -0.73 0.00 0.00 179.01 177.70 1ajb h LEU 309 N -0.53 -0.39 -1.76 1.64 3.38 -0.86 -3.19 115.31 113.60 1ajb h LEU 309 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ajb h LEU 309 Cb 0.40 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ajb h LEU 309 CO 0.09 -0.13 0.06 -0.07 0.09 0.00 0.00 178.44 178.48 1ajb h LEU 310 N -0.64 0.19 -0.02 1.67 3.38 -0.97 -1.76 115.31 117.15 1ajb h LEU 310 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ajb h LEU 310 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ajb h LEU 310 CO 0.08 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.24 1ajb n SER 311 N -4.47 0.04 0.22 -0.43 3.41 0.41 -2.31 113.62 110.49 1ajb n SER 311 Ca -0.01 -1.32 0.11 0.00 -0.26 0.00 0.00 58.87 57.40 1ajb n SER 311 Cb 0.11 -0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.05 0.00 -6.24 4.33 1.79 -1.39 -3.42 116.57 111.69 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 0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1ajb h LYS 312 CO 0.00 0.12 1.05 1.21 -1.08 0.00 0.00 179.45 180.75 1ajb s ASN 313 N -6.13 6.64 0.40 0.86 3.84 -0.98 -4.89 114.94 114.69 1ajb s ASN 313 Ca 0.04 1.89 0.11 0.00 0.21 0.00 0.00 52.86 55.11 1ajb s ASN 313 Cb 0.07 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.15 1ajb s ASN 313 CO 0.65 -1.00 1.95 -0.33 -2.79 0.00 0.00 177.10 175.59 1ajb h GLU 314 N 9.59 0.54 -0.27 0.43 4.39 -1.89 -3.18 114.58 124.19 1ajb h GLU 314 Ca -0.34 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.21 1ajb h GLU 314 Cb 1.15 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1ajb h GLU 314 CO 0.97 0.36 -0.31 -0.22 -1.16 0.00 0.00 179.01 178.66 1ajb h LYS 315 N 0.56 0.57 0.00 2.33 3.11 -1.90 -3.50 116.57 117.74 1ajb h LYS 315 Ca 0.32 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1ajb h LYS 315 Cb 0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1ajb h LYS 315 CO -0.10 0.81 0.00 0.41 -2.81 0.00 0.00 179.45 177.75 1ajb n GLY 316 N -0.21 1.25 3.32 5.01 0.00 -1.20 -4.94 105.19 108.41 1ajb n GLY 316 Ca -0.01 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.15 -0.12 -0.06 1.61 -0.12 -1.17 -0.63 117.98 116.33 1ajb s PHE 317 Ca 0.00 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.70 1ajb s PHE 317 Cb 0.00 0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1ajb s PHE 317 CO 0.00 -0.69 -0.20 0.12 -0.05 0.00 0.00 175.22 174.40 1ajb s PHE 318 N -3.82 2.04 -0.05 3.49 5.36 -0.58 -0.70 117.98 123.72 1ajb s PHE 318 Ca 0.04 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1ajb s PHE 318 Cb 0.02 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1ajb s PHE 318 CO -0.11 -0.25 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.17 1ajb s LEU 319 N 0.16 1.40 -0.12 6.12 2.96 -0.36 -0.79 118.68 128.05 1ajb s LEU 319 Ca -0.09 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1ajb s LEU 319 Cb -0.14 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1ajb s LEU 319 CO 0.04 -0.04 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.32 1ajb s GLN 320 N 0.83 3.29 -0.07 1.98 0.74 -0.79 -1.00 119.66 124.64 1ajb s GLN 320 Ca -0.12 -0.70 0.05 0.00 0.05 0.00 0.00 55.36 54.63 1ajb s GLN 320 Cb -0.15 -2.58 -0.00 0.00 1.10 0.00 0.00 33.01 31.38 1ajb s GLN 320 CO 0.01 0.24 -0.23 0.08 -0.55 0.00 0.00 175.29 174.85 1ajb s VAL 321 N 0.26 1.90 -0.12 1.34 1.01 -0.23 -0.37 120.40 124.18 1ajb s VAL 321 Ca -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1ajb s VAL 321 Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1ajb s VAL 321 CO 0.06 0.53 -0.17 -0.70 0.00 0.00 0.00 175.10 174.82 1ajb s GLU 322 N 0.13 2.43 -1.10 2.72 2.12 0.11 -0.95 118.70 124.17 1ajb s GLU 322 Ca -0.11 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.42 1ajb s GLU 322 Cb -0.15 -2.07 0.14 0.00 0.26 0.00 0.00 34.13 32.31 1ajb s GLU 322 CO 0.06 -0.09 1.34 0.20 -0.54 0.00 0.00 175.26 176.23 1ajb s GLY 323 N 1.05 2.11 0.06 -1.50 0.00 -0.01 -2.01 107.32 107.01 1ajb s GLY 323 Ca -0.04 -3.05 -0.10 0.00 0.00 0.00 0.00 44.72 41.53 1ajb s GLY 323 CO -0.04 2.11 1.09 0.00 0.00 0.00 0.00 173.10 176.27 1ajb h ALA 324 N 7.97 -0.01 -0.10 3.20 0.00 -1.90 -0.35 119.26 128.06 1ajb h ALA 324 Ca 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ajb h ALA 324 Cb 0.94 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ajb h ALA 324 CO 1.21 0.82 0.00 0.43 0.00 0.00 0.00 179.25 181.72 1ajb n SER 325 N -3.64 0.90 0.07 0.00 7.64 -1.26 -3.40 113.62 113.92 1ajb n SER 325 Ca -0.12 -1.62 -0.11 0.00 1.01 0.00 0.00 58.87 58.03 1ajb n SER 325 Cb 1.05 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 64.14 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 1.17 0.55 -0.31 0.44 2.04 -1.73 -0.67 117.51 119.00 1ajb h ILE 326 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1ajb h ILE 326 Cb 0.26 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1ajb h ILE 326 CO 0.00 0.00 -0.11 -0.78 0.00 0.00 0.00 178.15 177.26 1ajb h ASP 327 N -0.32 -0.38 -0.47 1.72 3.58 -0.55 0.13 116.42 120.12 1ajb h ASP 327 Ca 0.05 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1ajb h ASP 327 Cb 0.38 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1ajb h ASP 327 CO -0.16 -0.14 0.25 0.11 -2.88 0.00 0.00 179.24 176.41 1ajb h LYS 328 N -0.05 0.66 -0.08 0.28 1.57 -1.62 0.13 116.57 117.46 1ajb h LYS 328 Ca 0.16 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1ajb h LYS 328 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ajb h LYS 328 CO -0.35 0.53 -0.64 1.96 -0.57 0.00 0.00 179.45 180.38 1ajb h GLN 329 N 0.61 0.30 -0.64 3.15 1.08 -0.94 0.21 115.11 118.89 1ajb h GLN 329 Ca 0.16 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1ajb h GLN 329 Cb 0.07 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1ajb h GLN 329 CO -0.02 0.84 0.27 0.22 -0.95 0.00 0.00 178.83 179.18 1ajb h ASP 330 N 0.22 0.86 -0.73 1.46 1.82 -0.82 -0.40 116.42 118.84 1ajb h ASP 330 Ca -0.01 -0.16 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 1ajb h ASP 330 Cb 1.17 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 1ajb h ASP 330 CO 0.10 0.79 0.46 0.45 -1.61 0.00 0.00 179.24 179.43 1ajb h HIS 331 N 0.89 0.85 0.00 0.28 3.86 -0.43 -1.88 115.15 118.72 1ajb h HIS 331 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ajb h HIS 331 Cb 0.18 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1ajb h HIS 331 CO 0.01 0.48 0.00 0.00 0.86 0.00 0.00 177.93 179.28 1ajb n ALA 332 N -2.32 2.19 -3.44 2.45 0.00 0.70 -1.07 120.51 119.02 1ajb n ALA 332 Ca 0.08 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1ajb n ALA 332 Cb 0.10 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.33 -1.33 -3.84 0.00 0.00 -0.30 -4.76 120.51 108.94 1ajb n ALA 333 Ca 0.10 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 1ajb n ALA 333 Cb 0.21 -4.39 -0.12 0.00 0.00 0.00 0.00 19.45 15.15 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 -3.51 4.88 0.26 0.00 3.84 -0.36 -0.57 114.94 119.48 1ajb s ASN 334 Ca 0.41 -2.70 -0.03 0.00 0.21 0.00 0.00 52.86 50.75 1ajb s ASN 334 Cb -0.18 -1.75 0.53 0.00 -0.55 0.00 0.00 41.25 39.29 1ajb s ASN 334 CO 0.66 -0.35 1.67 -0.65 -2.79 0.00 0.00 177.10 175.64 1ajb h PRO 335 N 7.08 0.24 -0.46 0.43 0.11 -1.83 -1.78 132.00 135.79 1ajb h PRO 335 Ca -0.06 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 1ajb h PRO 335 Cb 0.95 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1ajb h PRO 335 CO 0.68 0.16 -0.19 0.00 -0.21 0.00 0.00 178.00 178.44 1ajb h GLY 337 N 0.77 0.50 0.86 0.00 0.00 -1.58 -0.14 103.07 103.47 1ajb h GLY 337 Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1ajb h GLY 337 CO 0.06 0.40 -0.07 -1.61 0.00 0.00 0.00 176.54 175.32 1ajb h GLN 338 N 0.39 0.51 -0.18 4.80 4.15 -0.87 -3.02 115.11 120.89 1ajb h GLN 338 Ca 0.05 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1ajb h GLN 338 Cb 0.76 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1ajb h GLN 338 CO 0.06 0.73 -0.37 0.82 -1.93 0.00 0.00 178.83 178.14 1ajb h ILE 339 N 0.25 1.34 -0.95 2.39 2.04 -0.86 -2.34 117.51 119.37 1ajb h ILE 339 Ca 0.06 -1.61 0.11 0.00 1.00 0.00 0.00 64.86 64.43 1ajb h ILE 339 Cb 0.55 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 1ajb h ILE 339 CO 0.03 0.49 0.60 1.23 0.00 0.00 0.00 178.15 180.51 1ajb h GLY 340 N 0.23 1.44 2.00 5.37 0.00 -1.11 0.32 103.07 111.32 1ajb h GLY 340 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1ajb h GLY 340 CO 0.08 0.17 -0.54 0.83 0.00 0.00 0.00 176.54 177.08 1ajb h GLU 341 N 0.91 0.00 -0.04 4.80 4.39 -1.41 0.65 114.58 123.88 1ajb h GLU 341 Ca 0.46 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.94 1ajb h GLU 341 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ajb h GLU 341 CO -0.22 0.54 -0.87 1.15 -1.16 0.00 0.00 179.01 178.45 1ajb h THR 342 N 0.00 1.38 -0.10 1.13 2.02 -0.46 -2.05 112.91 114.83 1ajb h THR 342 Ca -0.01 -2.31 0.01 0.00 0.77 0.00 0.00 66.41 64.88 1ajb h THR 342 Cb 1.17 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 1ajb h THR 342 CO 0.07 0.69 0.04 0.58 0.37 0.00 0.00 175.52 177.27 1ajb h VAL 343 N 0.28 0.98 -0.53 3.16 2.07 -0.76 -1.17 116.25 120.27 1ajb h VAL 343 Ca -0.06 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1ajb h VAL 343 Cb 1.49 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1ajb h VAL 343 CO 0.15 0.02 0.19 -0.78 0.02 0.00 0.00 177.57 177.17 1ajb h ASP 344 N 0.09 0.20 -0.70 0.57 3.58 -0.88 -1.59 116.42 117.69 1ajb h ASP 344 Ca 0.04 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1ajb h ASP 344 Cb 0.02 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1ajb h ASP 344 CO -0.04 0.13 0.34 0.25 -2.88 0.00 0.00 179.24 177.05 1ajb h LEU 345 N 0.38 0.91 -1.18 2.28 5.85 -1.18 -2.68 115.31 119.69 1ajb h LEU 345 Ca 0.26 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1ajb h LEU 345 Cb 0.29 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1ajb h LEU 345 CO -0.26 0.78 0.60 -0.78 -0.34 0.00 0.00 178.44 178.43 1ajb h ASP 346 N 0.97 0.76 -0.42 1.25 3.58 -0.22 -0.37 116.42 121.96 1ajb h ASP 346 Ca 0.24 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.69 1ajb h ASP 346 Cb 0.11 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1ajb h ASP 346 CO -0.03 0.38 0.10 -0.33 -2.88 0.00 0.00 179.24 176.48 1ajb h GLU 347 N 0.80 0.75 -0.31 0.28 5.08 -1.11 -0.85 114.58 119.22 1ajb h GLU 347 Ca 0.47 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1ajb h GLU 347 Cb 0.65 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ajb h GLU 347 CO -0.24 0.69 -0.47 0.00 -1.00 0.00 0.00 179.01 177.99 1ajb h ALA 348 N 1.39 0.48 -0.63 3.43 0.00 -1.06 -1.72 119.26 121.15 1ajb h ALA 348 Ca 0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1ajb h ALA 348 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ajb h ALA 348 CO 0.00 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.30 1ajb h VAL 349 N 0.66 1.25 -0.35 0.00 2.07 -1.01 -1.47 116.25 117.40 1ajb h VAL 349 Ca 0.03 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1ajb h VAL 349 Cb 1.08 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1ajb h VAL 349 CO 0.11 0.36 0.14 1.56 0.02 0.00 0.00 177.57 179.76 1ajb h GLN 350 N 0.96 0.30 -0.29 1.57 4.20 -0.89 0.54 115.11 121.50 1ajb h GLN 350 Ca 0.20 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.92 1ajb h GLN 350 Cb 0.38 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1ajb h GLN 350 CO 0.01 0.20 0.09 0.00 -0.67 0.00 0.00 178.83 178.46 1ajb h ARG 351 N 0.31 0.21 -0.52 1.46 2.47 -0.97 -1.18 114.38 116.16 1ajb h ARG 351 Ca 0.16 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1ajb h ARG 351 Cb 0.11 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 1ajb h ARG 351 CO -0.14 0.14 0.33 0.00 0.56 0.00 0.00 179.97 180.86 1ajb h ALA 352 N 1.19 0.66 -0.70 0.04 0.00 -0.87 -1.85 119.26 117.73 1ajb h ALA 352 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ajb h ALA 352 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ajb h ALA 352 CO -0.14 0.13 0.19 -0.07 0.00 0.00 0.00 179.25 179.36 1ajb h LEU 353 N 0.70 1.04 0.25 0.00 3.38 -0.66 -0.59 115.31 119.42 1ajb h LEU 353 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ajb h LEU 353 Cb -0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1ajb h LEU 353 CO -0.04 0.98 -0.50 -0.08 0.09 0.00 0.00 178.44 178.89 1ajb h GLU 354 N 1.05 -0.79 0.35 1.13 4.81 -0.57 0.19 114.58 120.76 1ajb h GLU 354 Ca 0.22 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1ajb h GLU 354 Cb 0.34 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1ajb h GLU 354 CO -0.00 -0.53 -0.28 0.35 -0.73 0.00 0.00 179.01 177.81 1ajb h PHE 355 N -0.82 -0.75 -0.94 0.92 3.57 -1.20 -1.96 116.94 115.75 1ajb h PHE 355 Ca -0.02 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1ajb h PHE 355 Cb 0.79 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1ajb h PHE 355 CO -0.38 -0.42 0.59 0.00 -2.23 0.00 0.00 178.31 175.87 1ajb h ALA 356 N -0.09 1.36 -0.17 2.41 0.00 -0.91 0.25 119.26 122.13 1ajb h ALA 356 Ca -0.03 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1ajb h ALA 356 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ajb h ALA 356 CO -0.01 0.26 -0.58 1.57 0.00 0.00 0.00 179.25 180.49 1ajb h LYS 357 N 1.00 0.53 -0.09 0.00 5.09 -0.54 -0.46 116.57 122.10 1ajb h LYS 357 Ca 0.44 -0.35 -0.03 0.00 0.09 0.00 0.00 60.65 60.80 1ajb h LYS 357 Cb 0.33 0.05 -0.00 0.00 0.10 0.00 0.00 32.23 32.70 1ajb h LYS 357 CO -0.22 0.96 -0.05 0.87 -2.09 0.00 0.00 179.45 178.91 1ajb h LYS 358 N 0.40 0.20 0.00 0.07 1.57 -0.53 -3.32 116.57 114.97 1ajb h LYS 358 Ca 0.00 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1ajb h LYS 358 Cb 1.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1ajb h LYS 358 CO 0.11 0.57 -0.32 1.49 -0.57 0.00 0.00 179.45 180.73 1ajb h GLU 359 N -0.18 0.00 0.00 3.15 4.22 -0.39 -3.47 114.58 117.90 1ajb h GLU 359 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1ajb h GLU 359 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ajb h GLU 359 CO 0.02 0.32 0.00 0.41 -2.18 0.00 0.00 179.01 177.57 1ajb n GLY 360 N 0.43 0.90 1.06 1.92 0.00 -0.19 -4.78 105.19 104.53 1ajb n GLY 360 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.52 -4.35 1.61 3.02 -1.26 -4.88 115.26 109.92 1ajb n ASN 361 Ca 0.00 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 1ajb n ASN 361 Cb 0.00 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.00 3.31 -0.16 3.41 2.01 -1.26 -0.01 115.64 122.93 1ajb s THR 362 Ca 0.19 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1ajb s THR 362 Cb 0.21 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1ajb s THR 362 CO -0.09 0.47 0.78 -0.22 -0.69 0.00 0.00 174.62 174.86 1ajb s LEU 363 N 0.97 4.18 -0.12 4.42 2.96 -0.69 -4.29 118.68 126.11 1ajb s LEU 363 Ca -0.01 1.11 -0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1ajb s LEU 363 Cb -0.15 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1ajb s LEU 363 CO 0.00 -0.34 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.87 1ajb s VAL 364 N 1.95 3.12 -0.06 1.68 1.01 0.08 -0.95 120.40 127.23 1ajb s VAL 364 Ca 0.36 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1ajb s VAL 364 Cb -0.17 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1ajb s VAL 364 CO 0.13 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.98 1ajb s ILE 365 N 0.25 1.27 -0.15 2.22 1.01 -0.05 -1.05 121.20 124.71 1ajb s ILE 365 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1ajb s ILE 365 Cb -0.15 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.21 1ajb s ILE 365 CO 0.05 0.38 -0.10 -0.69 0.00 0.00 0.00 174.94 174.58 1ajb s VAL 366 N 0.52 1.37 0.01 2.92 1.01 -0.29 -0.16 120.40 125.78 1ajb s VAL 366 Ca -0.13 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1ajb s VAL 366 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1ajb s VAL 366 CO 0.04 0.32 0.02 1.07 0.00 0.00 0.00 175.10 176.55 1ajb n THR 367 N 4.82 0.00 -4.22 3.92 5.66 -0.78 -1.38 114.28 122.29 1ajb n THR 367 Ca -0.14 -0.05 -0.17 0.00 -3.05 0.00 0.00 64.05 60.63 1ajb n THR 367 Cb 0.49 0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.35 1.38 0.04 1.79 0.00 -1.26 -0.64 121.76 121.71 1ajb s ALA 368 Ca 0.01 -1.24 0.17 0.00 0.00 0.00 0.00 51.96 50.90 1ajb s ALA 368 Cb -0.00 -0.05 0.43 0.00 0.00 0.00 0.00 23.12 23.50 1ajb s ALA 368 CO 0.01 0.08 1.61 0.38 0.00 0.00 0.00 175.76 177.84 1ajb h ASP 369 N 3.60 0.00 -5.01 0.00 2.03 -1.92 -3.48 116.42 111.64 1ajb h ASP 369 Ca -0.39 0.00 0.20 0.00 -0.73 0.00 0.00 57.03 56.11 1ajb h ASP 369 Cb 1.19 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.56 1ajb h ASP 369 CO 0.50 0.43 0.62 -1.38 -1.03 0.00 0.00 179.24 178.38 1ajb s HIS 370 N -3.33 -0.18 0.92 4.15 -3.43 -1.26 -4.88 115.29 107.29 1ajb s HIS 370 Ca 0.02 0.01 -0.15 0.00 -0.80 0.00 0.00 55.06 54.14 1ajb s HIS 370 Cb 0.09 0.57 0.17 0.00 -1.43 0.00 0.00 32.58 31.98 1ajb s HIS 370 CO 0.71 -0.52 1.27 0.00 -2.00 0.00 0.00 174.74 174.20 1ajb s ALA 371 N -2.90 2.29 0.00 -1.38 0.00 -1.19 -3.70 121.76 114.87 1ajb s ALA 371 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1ajb s ALA 371 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1ajb s ALA 371 CO -0.04 -2.26 0.00 1.58 0.00 0.00 0.00 175.76 175.05 1ajb n HIS 372 N -3.67 0.00 -0.11 0.00 -0.00 -1.26 -2.45 115.22 107.73 1ajb n HIS 372 Ca 0.13 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.14 1ajb n HIS 372 Cb 0.60 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.34 1ajb n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ajb n ALA 373 N -3.00 1.38 -1.75 1.57 0.00 -1.20 -4.19 120.51 113.33 1ajb n ALA 373 Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 1ajb n ALA 373 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1ajb n ALA 373 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ajb n SER 374 N -3.22 3.87 -4.17 0.00 3.41 -1.26 -4.60 113.62 107.66 1ajb n SER 374 Ca -0.42 1.15 -0.21 0.00 -0.26 0.00 0.00 58.87 59.13 1ajb n SER 374 Cb 1.02 -1.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.24 1ajb n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ajb s GLN 375 N -0.48 0.99 -0.30 4.33 -0.21 -0.47 -4.76 119.66 118.76 1ajb s GLN 375 Ca 0.64 -0.83 -0.18 0.00 0.02 0.00 0.00 55.36 55.01 1ajb s GLN 375 Cb -0.49 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.47 1ajb s GLN 375 CO 0.48 0.25 0.53 0.42 -2.12 0.00 0.00 175.29 174.85 1ajb s ILE 376 N -0.92 5.03 0.36 1.08 1.01 -1.26 -0.21 121.20 126.29 1ajb s ILE 376 Ca 0.02 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.43 1ajb s ILE 376 Cb -0.08 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1ajb s ILE 376 CO 0.02 -0.06 0.01 0.68 0.00 0.00 0.00 174.94 175.59 1ajb s VAL 377 N 2.39 2.44 0.51 2.92 -7.23 -0.46 -4.99 120.40 115.98 1ajb s VAL 377 Ca 0.21 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1ajb s VAL 377 Cb -0.15 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 1ajb s VAL 377 CO 0.11 -0.15 1.32 0.00 -0.31 0.00 0.00 175.10 176.07 1ajb s ALA 378 N -2.57 2.90 0.58 1.32 0.00 -1.26 -4.03 121.76 118.71 1ajb s ALA 378 Ca 0.35 1.26 0.28 0.00 0.00 0.00 0.00 51.96 53.85 1ajb s ALA 378 Cb 0.02 -3.53 1.56 0.00 0.00 0.00 0.00 23.12 21.17 1ajb s ALA 378 CO 0.19 -1.19 2.02 -1.00 0.00 0.00 0.00 175.76 175.78 1ajb h PRO 379 N 1.70 0.00 -0.42 0.00 0.13 -1.93 -2.06 132.00 129.43 1ajb h PRO 379 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ajb h PRO 379 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ajb h PRO 379 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 1ajb n ASP 380 N -3.84 2.82 -4.71 1.44 5.75 -1.26 -4.83 116.55 111.93 1ajb n ASP 380 Ca 0.05 -1.93 -0.43 0.00 -0.01 0.00 0.00 54.79 52.46 1ajb n ASP 380 Cb 0.47 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1ajb n ASP 380 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ajb n THR 381 N 1.05 1.14 -3.55 2.12 -1.04 -0.78 -4.98 114.28 108.25 1ajb n THR 381 Ca 0.18 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 1ajb n THR 381 Cb 0.48 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 67.19 1ajb n THR 381 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ajb s LYS 382 N -0.69 2.63 0.18 -2.82 3.01 -1.26 -4.85 119.74 115.94 1ajb s LYS 382 Ca 0.64 -1.54 0.08 0.00 -1.01 0.00 0.00 55.97 54.14 1ajb s LYS 382 Cb -0.57 -3.88 -0.04 0.00 -1.01 0.00 0.00 37.83 32.32 1ajb s LYS 382 CO 0.51 -1.05 -0.05 0.00 0.51 0.00 0.00 175.35 175.27 1ajb s ALA 383 N 1.44 3.06 -0.31 5.17 0.00 -1.26 -5.04 121.76 124.82 1ajb s ALA 383 Ca 0.04 -1.43 0.27 0.00 0.00 0.00 0.00 51.96 50.85 1ajb s ALA 383 Cb -0.24 -0.85 1.03 0.00 0.00 0.00 0.00 23.12 23.06 1ajb s ALA 383 CO 0.02 0.47 1.80 -1.00 0.00 0.00 0.00 175.76 177.06 1ajb h PRO 384 N 2.82 0.00 0.00 0.00 0.13 -1.97 -3.42 132.00 129.56 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ajb h PRO 384 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1ajb n GLY 385 N 0.29 2.77 3.72 1.56 0.00 -1.26 -5.01 105.19 107.26 1ajb n GLY 385 Ca 0.02 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 4.24 0.15 0.99 1.43 0.04 -4.07 118.68 121.46 1ajb s LEU 386 Ca 0.00 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1ajb s LEU 386 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1ajb s LEU 386 CO 0.00 0.08 -0.02 0.42 0.23 0.00 0.00 176.35 177.05 1ajb s THR 387 N 0.56 0.72 -0.27 5.49 -4.23 -0.18 -0.57 115.64 117.16 1ajb s THR 387 Ca 0.17 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1ajb s THR 387 Cb -0.13 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.79 1ajb s THR 387 CO 0.05 -0.60 0.71 -1.58 -0.54 0.00 0.00 174.62 172.65 1ajb s GLN 388 N -3.88 0.81 -0.18 3.99 0.74 -0.76 -1.62 119.66 118.76 1ajb s GLN 388 Ca 0.20 1.02 -0.09 0.00 0.05 0.00 0.00 55.36 56.54 1ajb s GLN 388 Cb 0.06 0.37 -0.05 0.00 1.10 0.00 0.00 33.01 34.49 1ajb s GLN 388 CO 0.01 -0.11 0.11 0.00 -0.55 0.00 0.00 175.29 174.76 1ajb s ALA 389 N 0.54 3.65 0.11 1.58 0.00 -1.26 -1.24 121.76 125.14 1ajb s ALA 389 Ca -0.01 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.34 1ajb s ALA 389 Cb -0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1ajb s ALA 389 CO -0.02 0.24 -0.24 -0.51 0.00 0.00 0.00 175.76 175.24 1ajb s LEU 390 N 0.12 2.30 -0.37 0.00 1.02 0.74 -0.58 118.68 121.91 1ajb s LEU 390 Ca 0.08 -0.70 -0.21 0.00 0.02 0.00 0.00 54.13 53.32 1ajb s LEU 390 Cb -0.11 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.06 1ajb s LEU 390 CO -0.01 0.12 0.64 0.20 0.02 0.00 0.00 176.35 177.33 1ajb s ASN 391 N -1.92 6.41 0.64 2.29 0.02 -0.12 -1.40 114.94 120.87 1ajb s ASN 391 Ca 0.10 0.05 -0.03 0.00 -1.02 0.00 0.00 52.86 51.95 1ajb s ASN 391 Cb -0.10 -2.33 0.05 0.00 0.02 0.00 0.00 41.25 38.89 1ajb s ASN 391 CO 0.05 -0.64 0.91 0.42 0.02 0.00 0.00 177.10 177.86 1ajb s THR 392 N 2.75 2.45 0.58 1.60 -4.23 -0.59 -4.82 115.64 113.38 1ajb s THR 392 Ca 0.24 -0.43 0.29 0.00 -1.18 0.00 0.00 61.69 60.61 1ajb s THR 392 Cb -0.14 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 71.08 1ajb s THR 392 CO 0.16 -0.01 1.92 0.50 -0.54 0.00 0.00 174.62 176.65 1ajb h LYS 393 N -0.32 0.00 0.00 3.99 1.63 -1.42 -0.03 116.57 120.42 1ajb h LYS 393 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1ajb h LYS 393 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1ajb h LYS 393 CO 0.57 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 176.32 1ajb n ASP 394 N -3.81 0.00 -0.27 4.20 8.00 -1.26 -4.86 116.55 118.55 1ajb n ASP 394 Ca 0.09 0.16 -0.03 0.00 0.71 0.00 0.00 54.79 55.71 1ajb n ASP 394 Cb 0.66 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.83 0.54 3.60 0.44 0.00 -0.02 -5.05 105.19 105.53 1ajb n GLY 395 Ca 0.09 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.13 3.13 -0.06 4.61 0.00 -1.26 -4.92 121.76 121.13 1ajb s ALA 396 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1ajb s ALA 396 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1ajb s ALA 396 CO 0.00 -0.15 -0.04 0.14 0.00 0.00 0.00 175.76 175.71 1ajb s VAL 397 N -2.83 3.89 -0.04 0.00 -7.23 -1.26 -1.55 120.40 111.39 1ajb s VAL 397 Ca 0.32 -0.46 0.05 0.00 -1.81 0.00 0.00 61.98 60.08 1ajb s VAL 397 Cb 0.09 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1ajb s VAL 397 CO 0.16 0.56 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.99 1ajb s MET 398 N -0.96 2.38 -0.09 4.82 0.00 -0.49 -4.85 119.30 120.11 1ajb s MET 398 Ca 0.14 -0.80 0.02 0.00 0.00 0.00 0.00 55.69 55.04 1ajb s MET 398 Cb -0.11 -2.24 -0.02 0.00 0.00 0.00 0.00 34.83 32.46 1ajb s MET 398 CO 0.03 0.57 -0.15 0.08 0.00 0.00 0.00 175.02 175.55 1ajb s VAL 399 N -0.61 2.97 0.06 10.11 1.01 -1.26 -0.18 120.40 132.50 1ajb s VAL 399 Ca 0.09 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1ajb s VAL 399 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1ajb s VAL 399 CO 0.00 0.56 -0.13 -0.04 0.00 0.00 0.00 175.10 175.48 1ajb s MET 400 N -0.14 2.15 0.00 2.72 -1.94 -0.37 -1.35 119.30 120.37 1ajb s MET 400 Ca -0.01 -0.97 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1ajb s MET 400 Cb -0.14 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.42 1ajb s MET 400 CO 0.03 0.54 -0.14 0.45 -0.01 0.00 0.00 175.02 175.89 1ajb s SER 401 N -1.74 1.69 -0.19 3.03 0.15 0.70 -1.83 113.70 115.50 1ajb s SER 401 Ca 0.17 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.51 1ajb s SER 401 Cb -0.11 -0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1ajb s SER 401 CO 0.09 0.14 -0.06 -0.31 1.20 0.00 0.00 173.24 174.30 1ajb s TYR 402 N -0.47 1.99 0.00 3.44 1.51 0.27 -1.37 117.35 122.72 1ajb s TYR 402 Ca 0.05 -1.35 0.17 0.00 -1.01 0.00 0.00 57.07 54.93 1ajb s TYR 402 Cb -0.06 -1.43 0.28 0.00 -0.11 0.00 0.00 41.96 40.64 1ajb s TYR 402 CO -0.00 -0.68 1.09 0.41 -1.11 0.00 0.00 175.55 175.26 1ajb n GLY 403 N 4.79 0.85 0.82 0.71 0.00 -1.26 -0.78 105.19 110.31 1ajb n GLY 403 Ca -0.12 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 0.33 3.43 -3.60 1.61 0.23 -1.26 -4.86 115.26 111.13 1ajb n ASN 404 Ca 0.01 -2.37 -0.16 0.00 -0.53 0.00 0.00 54.58 51.52 1ajb n ASN 404 Cb 0.99 -0.37 -0.07 0.00 -2.08 0.00 0.00 39.78 38.25 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 -1.30 -0.56 0.02 0.53 0.15 -1.26 -4.68 113.70 106.60 1ajb s SER 405 Ca 0.32 0.69 0.22 0.00 0.70 0.00 0.00 55.95 57.89 1ajb s SER 405 Cb 0.21 0.64 -0.08 0.00 -1.71 0.00 0.00 66.02 65.08 1ajb s SER 405 CO 0.15 -0.50 0.91 -0.62 1.20 0.00 0.00 173.24 174.38 1ajb n GLU 406 N 1.35 0.25 -0.31 5.44 1.02 -1.26 -4.96 120.64 122.16 1ajb n GLU 406 Ca -0.18 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1ajb n GLU 406 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.85 1.32 -0.09 3.49 1.02 -1.26 -5.04 120.64 118.23 1ajb n GLU 407 Ca 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1ajb n GLU 407 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1ajb n GLU 407 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1ajb h ASP 408 N 0.00 -1.05 -1.90 1.62 3.04 -1.98 -3.43 116.42 112.72 1ajb h ASP 408 Ca 0.00 0.18 -0.54 0.00 -3.24 0.00 0.00 57.03 53.43 1ajb h ASP 408 Cb 0.00 0.48 -0.07 0.00 -1.04 0.00 0.00 39.33 38.70 1ajb h ASP 408 CO 0.00 -0.33 -0.54 -0.44 -2.04 0.00 0.00 179.24 175.89 1ajb s SER 409 N -5.04 4.72 0.15 4.15 0.01 -1.26 -4.90 113.70 111.53 1ajb s SER 409 Ca -0.15 -0.74 -0.20 0.00 1.31 0.00 0.00 55.95 56.17 1ajb s SER 409 Cb 0.13 -0.76 -0.07 0.00 0.21 0.00 0.00 66.02 65.52 1ajb s SER 409 CO 0.67 -0.28 0.65 -1.10 0.41 0.00 0.00 173.24 173.60 1ajb s GLN 410 N -3.84 4.24 0.61 12.44 -1.52 -0.23 -4.72 119.66 126.64 1ajb s GLN 410 Ca 0.37 0.81 -0.01 0.00 -1.95 0.00 0.00 55.36 54.59 1ajb s GLN 410 Cb -0.03 -3.07 0.05 0.00 -0.22 0.00 0.00 33.01 29.74 1ajb s GLN 410 CO 0.23 0.52 0.86 -1.21 -0.25 0.00 0.00 175.29 175.44 1ajb s GLU 411 N -1.55 2.37 0.74 2.91 2.02 -1.26 -4.38 118.70 119.54 1ajb s GLU 411 Ca 0.36 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 1ajb s GLU 411 Cb -0.18 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.71 1ajb s GLU 411 CO 0.21 -0.93 1.10 -1.01 0.02 0.00 0.00 175.26 174.65 1ajb s HIS 412 N -2.93 3.09 0.08 1.61 3.76 -1.26 -3.24 115.29 116.39 1ajb s HIS 412 Ca 0.59 0.77 0.05 0.00 -0.15 0.00 0.00 55.06 56.32 1ajb s HIS 412 Cb -0.10 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.32 1ajb s HIS 412 CO 0.41 -1.43 -0.12 0.95 -0.85 0.00 0.00 174.74 173.69 1ajb s THR 413 N -3.39 1.05 -2.08 1.30 -4.23 -1.02 -4.89 115.64 102.37 1ajb s THR 413 Ca 0.60 -1.45 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 1ajb s THR 413 Cb -0.11 -1.18 0.36 0.00 1.34 0.00 0.00 72.50 72.91 1ajb s THR 413 CO 0.49 -0.36 1.35 0.61 -0.54 0.00 0.00 174.62 176.16 1ajb n GLY 414 N 0.97 0.61 3.74 3.99 0.00 -1.26 -3.17 105.19 110.08 1ajb n GLY 414 Ca -0.19 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.16 5.06 0.79 1.61 0.15 -1.26 -4.85 113.70 114.04 1ajb s SER 415 Ca 0.27 2.71 -0.12 0.00 0.70 0.00 0.00 55.95 59.51 1ajb s SER 415 Cb 0.14 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.89 1ajb s SER 415 CO 0.19 -1.71 1.13 0.00 1.20 0.00 0.00 173.24 174.06 1ajb s GLN 416 N -3.06 1.95 0.21 5.44 -2.07 -1.26 -4.29 119.66 116.57 1ajb s GLN 416 Ca 0.75 1.42 -0.15 0.00 -1.82 0.00 0.00 55.36 55.56 1ajb s GLN 416 Cb -0.39 -1.84 0.02 0.00 -1.09 0.00 0.00 33.01 29.70 1ajb s GLN 416 CO 0.45 -1.91 0.49 -0.48 -1.32 0.00 0.00 175.29 172.52 1ajb s LEU 417 N -5.82 0.24 0.33 2.60 0.05 -1.17 -4.89 118.68 110.02 1ajb s LEU 417 Ca 0.66 -0.64 -0.29 0.00 0.05 0.00 0.00 54.13 53.91 1ajb s LEU 417 Cb -0.21 1.96 -0.12 0.00 -2.05 0.00 0.00 46.19 45.77 1ajb s LEU 417 CO 0.52 -1.07 1.44 -1.14 -0.55 0.00 0.00 176.35 175.56 1ajb n ARG 418 N -0.34 2.44 -4.47 1.48 0.63 -1.26 -1.69 116.66 113.46 1ajb n ARG 418 Ca -0.08 0.86 -0.22 0.00 -0.92 0.00 0.00 57.85 57.50 1ajb n ARG 418 Cb 0.62 -2.55 -0.16 0.00 0.45 0.00 0.00 32.46 30.82 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 -0.76 0.93 0.06 5.15 2.07 -1.08 -4.21 121.20 123.36 1ajb s ILE 419 Ca 0.58 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1ajb s ILE 419 Cb -0.53 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 1ajb s ILE 419 CO 0.59 0.29 -0.10 0.00 -1.91 0.00 0.00 174.94 173.81 1ajb s ALA 420 N 0.34 0.80 0.20 1.50 0.00 -0.48 -0.81 121.76 123.30 1ajb s ALA 420 Ca -0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1ajb s ALA 420 Cb -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1ajb s ALA 420 CO 0.01 0.03 0.34 0.00 0.00 0.00 0.00 175.76 176.15 1ajb s ALA 421 N -1.47 -0.01 -0.10 0.00 0.00 0.46 -1.14 121.76 119.51 1ajb s ALA 421 Ca -0.06 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1ajb s ALA 421 Cb -0.09 0.98 0.04 0.00 0.00 0.00 0.00 23.12 24.05 1ajb s ALA 421 CO 0.01 -0.71 0.23 -0.47 0.00 0.00 0.00 175.76 174.82 1ajb s TYR 422 N -4.00 -0.30 0.00 0.00 5.04 -0.21 -2.45 117.35 115.44 1ajb s TYR 422 Ca 0.21 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1ajb s TYR 422 Cb 0.02 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1ajb s TYR 422 CO 0.04 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 1ajb n GLY 423 N 3.84 0.24 3.68 8.97 0.00 -1.26 -0.74 105.19 119.92 1ajb n GLY 423 Ca -0.22 -2.30 -0.45 0.00 0.00 0.00 0.00 46.02 43.05 1ajb n GLY 423 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ajb n PRO 424 N -0.36 2.21 -0.99 1.61 -0.04 -1.26 -2.57 135.00 133.59 1ajb n PRO 424 Ca 0.00 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1ajb n PRO 424 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1ajb n PRO 424 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ajb n HIS 425 N 2.83 0.00 0.25 0.54 8.25 -0.14 -4.57 115.22 122.38 1ajb n HIS 425 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 1ajb n HIS 425 Cb 0.31 -0.54 0.67 0.00 1.12 0.00 0.00 29.99 31.55 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 1.40 -0.81 -1.41 0.00 -1.75 -2.39 119.26 114.30 1ajb h ALA 426 Ca 0.00 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.02 1ajb h ALA 426 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ajb h ALA 426 CO 0.00 0.17 0.73 0.00 0.00 0.00 0.00 179.25 180.15 1ajb h ALA 427 N 1.86 2.65 0.00 0.00 0.00 -1.90 -1.11 119.26 120.76 1ajb h ALA 427 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ajb h ALA 427 Cb 0.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ajb h ALA 427 CO 0.02 -1.15 0.00 0.09 0.00 0.00 0.00 179.25 178.21 1ajb n ASN 428 N -3.82 0.00 -0.57 0.00 3.02 -0.90 -2.05 115.26 110.94 1ajb n ASN 428 Ca 0.17 -0.59 0.11 0.00 -0.03 0.00 0.00 54.58 54.23 1ajb n ASN 428 Cb 1.01 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 40.15 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 -1.04 0.00 -3.15 2.41 0.24 -0.42 -4.94 118.33 111.42 1ajb n VAL 429 Ca 0.16 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1ajb n VAL 429 Cb 0.09 1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.28 4.69 0.00 3.34 1.01 -0.87 -2.89 120.40 123.40 1ajb s VAL 430 Ca 0.19 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1ajb s VAL 430 Cb 0.18 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ajb s VAL 430 CO 0.49 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1ajb n GLY 431 N -0.32 -1.04 3.68 4.51 0.00 -1.26 -4.73 105.19 106.03 1ajb n GLY 431 Ca 0.03 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 4.16 0.39 0.99 2.96 -1.26 -2.00 118.68 123.93 1ajb s LEU 432 Ca 0.00 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1ajb s LEU 432 Cb 0.00 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1ajb s LEU 432 CO 0.00 -0.02 0.13 0.42 -1.32 0.00 0.00 176.35 175.56 1ajb s THR 433 N 1.13 0.61 0.19 3.68 -4.23 -0.86 -5.01 115.64 111.14 1ajb s THR 433 Ca 0.16 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 1ajb s THR 433 Cb -0.14 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1ajb s THR 433 CO 0.07 0.00 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.45 1ajb s ASP 434 N -3.58 4.36 0.50 3.99 2.15 -1.26 -1.42 116.67 121.41 1ajb s ASP 434 Ca 0.26 -0.57 0.19 0.00 0.43 0.00 0.00 52.55 52.86 1ajb s ASP 434 Cb 0.03 -0.77 1.25 0.00 -0.30 0.00 0.00 42.92 43.13 1ajb s ASP 434 CO 0.15 0.09 2.05 -0.61 -0.17 0.00 0.00 175.17 176.68 1ajb h GLN 435 N 2.74 0.10 0.00 4.34 4.15 -0.92 -1.17 115.11 124.36 1ajb h GLN 435 Ca -0.46 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 58.90 1ajb h GLN 435 Cb 1.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1ajb h GLN 435 CO 0.56 0.07 -0.25 1.79 -1.93 0.00 0.00 178.83 179.07 1ajb h THR 436 N 0.11 0.74 -0.05 2.39 1.35 -1.85 -2.25 112.91 113.34 1ajb h THR 436 Ca 0.16 -1.04 -0.07 0.00 -0.55 0.00 0.00 66.41 64.91 1ajb h THR 436 Cb 0.50 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1ajb h THR 436 CO -0.02 0.24 -0.31 0.44 -0.25 0.00 0.00 175.52 175.62 1ajb h ASP 437 N 0.00 0.09 -0.61 5.36 3.32 -1.51 -2.44 116.42 120.63 1ajb h ASP 437 Ca -0.00 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.07 1ajb h ASP 437 Cb 0.63 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1ajb h ASP 437 CO 0.03 0.40 0.40 0.25 -1.72 0.00 0.00 179.24 178.61 1ajb h LEU 438 N 0.08 0.55 0.68 1.55 5.85 -1.46 0.90 115.31 123.47 1ajb h LEU 438 Ca 0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ajb h LEU 438 Cb 0.60 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ajb h LEU 438 CO 0.04 0.37 -0.34 0.15 -0.34 0.00 0.00 178.44 178.32 1ajb h PHE 439 N 0.63 -0.89 -0.83 1.25 3.57 -1.52 -1.05 116.94 118.10 1ajb h PHE 439 Ca 0.26 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1ajb h PHE 439 Cb 0.21 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1ajb h PHE 439 CO -0.00 -0.54 0.38 1.88 -2.23 0.00 0.00 178.31 177.79 1ajb h TYR 440 N -0.94 1.22 -0.56 0.41 0.05 -1.22 -0.09 116.97 115.84 1ajb h TYR 440 Ca -0.09 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.66 1ajb h TYR 440 Cb 0.72 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 1ajb h TYR 440 CO -0.04 0.89 0.32 1.15 -1.05 0.00 0.00 178.16 179.43 1ajb h THR 441 N 1.19 1.01 -0.19 -2.88 2.02 -0.78 -0.87 112.91 112.42 1ajb h THR 441 Ca 0.28 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 67.09 1ajb h THR 441 Cb 0.15 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1ajb h THR 441 CO -0.03 0.11 -0.56 0.24 0.37 0.00 0.00 175.52 175.65 1ajb h MET 442 N 0.62 0.57 -0.07 6.66 2.86 -0.28 0.17 114.93 125.46 1ajb h MET 442 Ca 0.24 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1ajb h MET 442 Cb 0.09 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ajb h MET 442 CO -0.13 0.98 0.02 -0.22 1.06 0.00 0.00 176.91 178.61 1ajb h LYS 443 N 0.44 0.11 -0.54 1.72 3.64 -0.93 -1.82 116.57 119.19 1ajb h LYS 443 Ca 0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1ajb h LYS 443 Cb 1.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1ajb h LYS 443 CO 0.11 0.29 -0.02 0.00 -2.27 0.00 0.00 179.45 177.56 1ajb h ALA 444 N 0.81 0.95 -0.47 5.00 0.00 -1.06 0.89 119.26 125.38 1ajb h ALA 444 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ajb h ALA 444 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ajb h ALA 444 CO -0.00 0.63 0.30 0.00 0.00 0.00 0.00 179.25 180.18 1ajb h ALA 445 N 1.11 0.60 0.00 0.00 0.00 -0.35 -2.16 119.26 118.46 1ajb h ALA 445 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ajb h ALA 445 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ajb h ALA 445 CO 0.03 0.07 -0.03 -0.07 0.00 0.00 0.00 179.25 179.24 1ajb h LEU 446 N 0.63 0.00 0.57 0.00 4.07 -1.24 -0.89 115.31 118.44 1ajb h LEU 446 Ca 0.17 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.04 1ajb h LEU 446 Cb -0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1ajb h LEU 446 CO -0.03 0.03 -0.11 0.61 -1.08 0.00 0.00 178.44 177.86 1ajb n GLY 447 N 0.64 0.25 3.72 0.83 0.00 0.18 -4.89 105.19 105.91 1ajb n GLY 447 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.20 4.37 0.00 0.99 1.02 -0.45 -5.00 118.68 118.40 1ajb s LEU 448 Ca 0.00 2.39 0.04 0.00 0.02 0.00 0.00 54.13 56.57 1ajb s LEU 448 Cb 0.00 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.65 1ajb s LEU 448 CO 0.00 -0.69 0.62 0.29 0.02 0.00 0.00 176.35 176.59