#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jas s MET 1 N 0.00 0.64 -0.30 -0.41 -2.45 -1.24 -5.01 119.30 110.52 2jas s MET 1 Ca 0.00 -0.55 0.03 0.00 -1.25 0.00 0.00 55.69 53.92 2jas s MET 1 Cb 0.00 -0.56 0.08 0.00 1.25 0.00 0.00 34.83 35.60 2jas s MET 1 CO 0.00 0.14 -0.02 0.15 1.05 0.00 0.00 175.02 176.33 2jas s LYS 2 N -0.89 1.79 -0.11 4.11 1.02 -1.26 -2.56 119.74 121.84 2jas s LYS 2 Ca -0.02 -1.60 -0.01 0.00 0.02 0.00 0.00 55.97 54.36 2jas s LYS 2 Cb -0.06 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2jas s LYS 2 CO 0.00 -0.77 -0.05 0.42 -0.92 0.00 0.00 175.35 174.03 2jas s ILE 3 N 1.02 3.80 -0.00 2.17 1.01 0.39 -0.52 121.20 129.08 2jas s ILE 3 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.33 2jas s ILE 3 Cb -0.19 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2jas s ILE 3 CO -0.07 0.56 -0.25 0.00 0.00 0.00 0.00 174.94 175.17 2jas s ALA 4 N -0.30 2.09 -0.15 9.38 0.00 -0.38 -1.02 121.76 131.38 2jas s ALA 4 Ca 0.05 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2jas s ALA 4 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2jas s ALA 4 CO 0.02 0.51 -0.13 0.42 0.00 0.00 0.00 175.76 176.58 2jas s ILE 5 N -0.64 2.95 -0.08 0.00 1.01 0.10 0.11 121.20 124.66 2jas s ILE 5 Ca 0.10 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2jas s ILE 5 Cb -0.10 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.14 2jas s ILE 5 CO -0.00 0.51 -0.12 0.12 0.00 0.00 0.00 174.94 175.45 2jas s PHE 6 N 0.61 1.50 0.00 3.97 5.36 -0.14 -2.07 117.98 127.20 2jas s PHE 6 Ca -0.07 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.30 2jas s PHE 6 Cb -0.16 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.40 2jas s PHE 6 CO 0.03 -0.33 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 2jas n GLY 7 N 4.03 1.01 3.66 13.12 0.00 -1.26 -0.81 105.19 124.93 2jas n GLY 7 Ca -0.21 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2jas n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jas s THR 8 N -2.00 1.87 0.28 2.61 -1.32 -1.26 -4.91 115.64 110.91 2jas s THR 8 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 2jas s THR 8 Cb 0.00 -2.51 -0.11 0.00 -1.51 0.00 0.00 72.50 68.37 2jas s THR 8 CO 0.00 0.00 1.53 -0.69 -2.21 0.00 0.00 174.62 173.25 2jas s VAL 9 N -3.01 2.29 0.00 5.08 1.01 -1.26 -2.44 120.40 122.07 2jas s VAL 9 Ca 0.67 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2jas s VAL 9 Cb -0.15 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2jas s VAL 9 CO 0.57 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jas n GLY 10 N 2.11 0.71 0.21 4.51 0.00 -1.26 -4.72 105.19 106.74 2jas n GLY 10 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2jas n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jas h ALA 11 N 0.00 1.05 0.00 4.61 0.00 -1.76 -3.40 119.26 119.76 2jas h ALA 11 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jas h ALA 11 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jas h ALA 11 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2jas n GLY 12 N 0.07 1.40 0.33 0.00 0.00 -1.26 -4.95 105.19 100.79 2jas n GLY 12 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2jas n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jas h LYS 13 N 0.94 0.79 -0.37 1.61 1.57 -1.91 -2.14 116.57 117.08 2jas h LYS 13 Ca 0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2jas h LYS 13 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2jas h LYS 13 CO 0.00 0.52 -0.20 0.66 -0.57 0.00 0.00 179.45 179.87 2jas h SER 14 N 0.82 0.70 -0.22 0.86 4.64 -1.99 -1.87 113.55 116.49 2jas h SER 14 Ca 0.48 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 2jas h SER 14 Cb 0.57 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2jas h SER 14 CO -0.31 0.89 -0.41 0.74 -0.87 0.00 0.00 176.83 176.88 2jas h THR 15 N 0.62 1.32 -0.27 2.95 2.02 -1.89 -2.62 112.91 115.03 2jas h THR 15 Ca 0.09 -1.63 -0.13 0.00 0.77 0.00 0.00 66.41 65.51 2jas h THR 15 Cb 0.67 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2jas h THR 15 CO 0.05 0.51 -0.32 0.40 0.37 0.00 0.00 175.52 176.53 2jas h ILE 16 N 0.36 1.30 -0.60 3.11 5.03 -1.30 -2.00 117.51 123.43 2jas h ILE 16 Ca 0.01 -1.50 -0.03 0.00 -0.12 0.00 0.00 64.86 63.22 2jas h ILE 16 Cb 1.01 1.63 -0.03 0.00 -3.03 0.00 0.00 36.82 36.41 2jas h ILE 16 CO 0.09 0.48 0.27 0.77 -0.68 0.00 0.00 178.15 179.08 2jas h SER 17 N 0.44 0.79 -0.27 1.72 4.64 -1.45 -0.57 113.55 118.85 2jas h SER 17 Ca 0.04 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2jas h SER 17 Cb 0.90 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2jas h SER 17 CO 0.08 0.72 0.08 0.00 -0.87 0.00 0.00 176.83 176.84 2jas h ALA 18 N 1.11 1.50 0.05 5.18 0.00 -1.37 0.15 119.26 125.87 2jas h ALA 18 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jas h ALA 18 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jas h ALA 18 CO -0.02 0.37 -0.03 0.93 0.00 0.00 0.00 179.25 180.50 2jas h GLU 19 N 0.50 -0.07 -0.91 0.00 4.39 -1.15 -2.88 114.58 114.47 2jas h GLU 19 Ca 0.12 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2jas h GLU 19 Cb 0.19 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 2jas h GLU 19 CO -0.00 0.53 0.56 0.82 -1.16 0.00 0.00 179.01 179.76 2jas h ILE 20 N -0.76 0.99 -0.38 3.13 2.04 -0.94 -2.17 117.51 119.42 2jas h ILE 20 Ca -0.01 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jas h ILE 20 Cb 0.63 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2jas h ILE 20 CO 0.01 0.18 0.22 -1.28 0.00 0.00 0.00 178.15 177.28 2jas h SER 21 N 0.97 0.36 -0.28 1.72 0.87 -0.80 -0.23 113.55 116.17 2jas h SER 21 Ca 0.42 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 2jas h SER 21 Cb 0.29 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2jas h SER 21 CO -0.21 0.26 0.17 0.11 -0.53 0.00 0.00 176.83 176.63 2jas h LYS 22 N 0.46 0.39 0.03 2.24 1.57 -1.18 0.82 116.57 120.90 2jas h LYS 22 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jas h LYS 22 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2jas h LYS 22 CO -0.07 0.27 -0.02 0.87 -0.57 0.00 0.00 179.45 179.94 2jas h LYS 23 N 0.40 -0.04 0.00 3.15 1.57 -0.84 -3.37 116.57 117.43 2jas h LYS 23 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jas h LYS 23 Cb -0.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jas h LYS 23 CO -0.02 0.64 -0.56 1.28 -0.57 0.00 0.00 179.45 180.22 2jas n LEU 24 N -4.73 0.56 -0.39 2.94 4.77 -0.16 -4.95 117.00 115.05 2jas n LEU 24 Ca -0.08 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 2jas n LEU 24 Cb 0.34 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jas n LEU 24 CO 0.27 0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.94 2jas n GLY 25 N 1.42 0.28 3.96 -0.72 0.00 0.26 -5.05 105.19 105.35 2jas n GLY 25 Ca 0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 2jas n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jas s TYR 26 N -2.17 2.37 -0.17 1.61 4.12 -1.06 -5.04 117.35 117.01 2jas s TYR 26 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.07 57.11 2jas s TYR 26 Cb 0.00 -3.06 -0.03 0.00 -1.52 0.00 0.00 41.96 37.36 2jas s TYR 26 CO 0.00 -1.43 -0.03 -2.00 0.02 0.00 0.00 175.55 172.11 2jas s GLU 27 N -5.11 3.66 0.07 -0.62 2.12 -1.26 -4.82 118.70 112.74 2jas s GLU 27 Ca 0.62 -0.52 -0.21 0.00 0.36 0.00 0.00 54.97 55.22 2jas s GLU 27 Cb -0.08 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.28 2jas s GLU 27 CO 0.43 0.18 0.62 0.42 -0.54 0.00 0.00 175.26 176.36 2jas s ILE 28 N 0.54 4.72 -0.51 -3.70 1.01 -1.26 -1.62 121.20 120.37 2jas s ILE 28 Ca -0.02 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 2jas s ILE 28 Cb -0.14 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.51 2jas s ILE 28 CO 0.02 0.51 0.32 -0.36 0.00 0.00 0.00 174.94 175.43 2jas s PHE 29 N -0.86 3.49 0.16 3.97 0.40 -0.45 -4.98 117.98 119.71 2jas s PHE 29 Ca 0.31 -2.61 -0.24 0.00 -0.60 0.00 0.00 56.93 53.79 2jas s PHE 29 Cb -0.20 -3.19 -0.08 0.00 0.51 0.00 0.00 43.02 40.06 2jas s PHE 29 CO 0.20 -0.90 0.75 0.15 0.70 0.00 0.00 175.22 176.12 2jas s LYS 30 N 0.50 4.51 0.19 0.44 1.02 -1.26 -2.82 119.74 122.31 2jas s LYS 30 Ca 0.13 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 2jas s LYS 30 Cb -0.22 -3.25 -0.08 0.00 -0.52 0.00 0.00 37.83 33.77 2jas s LYS 30 CO -0.04 0.58 1.15 -1.21 -0.92 0.00 0.00 175.35 174.91 2jas s GLU 31 N -1.17 4.54 -0.07 1.68 8.01 -1.26 -4.95 118.70 125.48 2jas s GLU 31 Ca 0.35 1.81 -0.34 0.00 0.01 0.00 0.00 54.97 56.80 2jas s GLU 31 Cb -0.22 -3.25 -0.12 0.00 -4.31 0.00 0.00 34.13 26.22 2jas s GLU 31 CO 0.25 -0.01 1.85 -2.30 0.01 0.00 0.00 175.26 175.06 2jas n PRO 32 N 2.40 2.18 -0.00 0.39 -0.02 -1.26 -4.81 135.00 133.87 2jas n PRO 32 Ca 0.03 0.80 -0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2jas n PRO 32 Cb 0.45 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2jas n PRO 32 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jas n VAL 33 N 4.99 0.02 0.09 -1.45 0.31 -1.26 -4.64 118.33 116.38 2jas n VAL 33 Ca 0.22 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.48 2jas n VAL 33 Cb 0.29 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.51 2jas n VAL 33 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jas h GLU 34 N -0.00 0.07 -0.58 5.55 5.08 -2.03 -3.02 114.58 119.64 2jas h GLU 34 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jas h GLU 34 Cb 1.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jas h GLU 34 CO -0.00 0.89 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 2jas n GLU 35 N -3.57 4.78 -3.15 2.33 1.02 -1.26 -4.84 120.64 115.94 2jas n GLU 35 Ca -0.02 -3.14 -0.44 0.00 -0.02 0.00 0.00 57.16 53.54 2jas n GLU 35 Cb 0.81 -2.23 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2jas n GLU 35 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jas s ASN 36 N -0.82 6.22 0.00 1.62 3.84 -1.14 -4.94 114.94 119.72 2jas s ASN 36 Ca 0.54 -1.01 0.15 0.00 0.21 0.00 0.00 52.86 52.75 2jas s ASN 36 Cb 0.41 -2.29 0.66 0.00 -0.55 0.00 0.00 41.25 39.47 2jas s ASN 36 CO 0.17 -0.93 1.45 -0.81 -2.79 0.00 0.00 177.10 174.19 2jas n PRO 37 N 6.19 0.06 0.01 0.43 -0.04 -1.26 -2.08 135.00 138.31 2jas n PRO 37 Ca -0.07 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2jas n PRO 37 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2jas n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jas n TYR 38 N -1.43 0.07 -0.02 0.54 4.02 -1.26 -4.65 117.16 114.42 2jas n TYR 38 Ca 0.05 0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 2jas n TYR 38 Cb 0.15 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.24 2jas n TYR 38 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 2jas h PHE 39 N 0.00 -0.60 -0.06 -0.72 3.57 -1.74 0.30 116.94 117.69 2jas h PHE 39 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2jas h PHE 39 Cb 0.63 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 2jas h PHE 39 CO 0.00 -0.31 0.01 1.49 -2.23 0.00 0.00 178.31 177.28 2jas h GLU 40 N -0.26 0.09 -0.80 1.11 4.81 -1.83 -3.19 114.58 114.50 2jas h GLU 40 Ca 0.12 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.47 2jas h GLU 40 Cb 0.44 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.71 2jas h GLU 40 CO -0.33 0.29 0.38 1.96 -0.73 0.00 0.00 179.01 180.58 2jas h GLN 41 N -0.12 0.53 0.07 1.92 4.20 -1.69 -3.00 115.11 117.01 2jas h GLN 41 Ca 0.02 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2jas h GLN 41 Cb 0.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2jas h GLN 41 CO 0.00 0.35 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.42 2jas h TYR 42 N 0.55 -0.46 0.00 2.96 3.20 -0.40 -1.73 116.97 121.09 2jas h TYR 42 Ca 0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2jas h TYR 42 Cb 0.63 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2jas h TYR 42 CO -0.12 -0.26 0.00 1.88 -1.64 0.00 0.00 178.16 178.02 2jas h TYR 43 N -0.32 0.00 0.09 -3.82 -1.99 -1.60 -2.76 116.97 106.57 2jas h TYR 43 Ca 0.03 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.51 2jas h TYR 43 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2jas h TYR 43 CO -0.19 0.00 -1.14 0.87 -0.00 0.00 0.00 178.16 177.70 2jas h LYS 44 N 0.00 0.32 -1.60 4.88 1.57 -1.29 -3.34 116.57 117.11 2jas h LYS 44 Ca 0.00 -0.46 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 2jas h LYS 44 Cb 0.54 0.16 -0.27 0.00 0.08 0.00 0.00 32.23 32.74 2jas h LYS 44 CO 0.00 1.18 -0.53 0.34 -0.57 0.00 0.00 179.45 179.87 2jas s ASP 45 N -7.13 0.12 0.12 0.86 -1.08 -0.70 -5.05 116.67 103.80 2jas s ASP 45 Ca -0.05 -0.45 -0.14 0.00 -0.52 0.00 0.00 52.55 51.39 2jas s ASP 45 Cb 0.08 1.21 -0.05 0.00 -1.46 0.00 0.00 42.92 42.70 2jas s ASP 45 CO 0.88 -0.33 1.49 -0.07 0.52 0.00 0.00 175.17 177.66 2jas h LEU 46 N 7.98 0.79 0.01 -1.34 3.38 -1.80 -3.18 115.31 121.15 2jas h LEU 46 Ca -0.06 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2jas h LEU 46 Cb 1.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2jas h LEU 46 CO 0.24 1.03 -0.15 0.11 0.09 0.00 0.00 178.44 179.75 2jas h LYS 47 N 0.56 -0.25 0.00 1.13 1.57 -1.90 -2.44 116.57 115.25 2jas h LYS 47 Ca 0.08 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jas h LYS 47 Cb 0.73 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2jas h LYS 47 CO 0.05 -0.16 -0.01 0.87 -0.57 0.00 0.00 179.45 179.63 2jas h LYS 48 N -0.26 0.00 0.00 3.15 1.57 -1.91 -3.36 116.57 115.77 2jas h LYS 48 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jas h LYS 48 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jas h LYS 48 CO -0.14 0.01 -1.51 2.41 -0.57 0.00 0.00 179.45 179.65 2jas n THR 49 N -3.11 0.00 0.01 -0.16 -1.04 -1.13 -4.76 114.28 104.08 2jas n THR 49 Ca 0.01 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 61.64 2jas n THR 49 Cb 0.37 0.26 -0.04 0.00 -1.82 0.00 0.00 70.33 69.11 2jas n THR 49 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2jas h VAL 50 N 0.00 0.33 0.05 12.58 -1.51 -1.59 -0.55 116.25 125.56 2jas h VAL 50 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 2jas h VAL 50 Cb 0.55 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 2jas h VAL 50 CO 0.00 0.00 -0.13 -0.26 -1.23 0.00 0.00 177.57 175.95 2jas h PHE 51 N -0.37 -0.33 -0.14 5.19 -1.00 -1.86 -0.01 116.94 118.42 2jas h PHE 51 Ca 0.10 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.93 2jas h PHE 51 Cb 0.52 0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.16 2jas h PHE 51 CO -0.38 -0.19 -0.21 0.87 -1.61 0.00 0.00 178.31 176.79 2jas h LYS 52 N -0.24 -0.25 -0.52 1.51 1.57 -1.82 -1.79 116.57 115.03 2jas h LYS 52 Ca 0.03 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2jas h LYS 52 Cb 0.27 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 2jas h LYS 52 CO -0.09 -0.17 0.03 1.98 -0.57 0.00 0.00 179.45 180.63 2jas h MET 53 N -0.26 0.15 -0.66 3.15 4.05 -0.80 -1.04 114.93 119.51 2jas h MET 53 Ca 0.10 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 2jas h MET 53 Cb 0.42 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2jas h MET 53 CO -0.30 0.10 0.28 0.37 0.23 0.00 0.00 176.91 177.60 2jas h GLN 54 N 0.15 0.97 -0.60 0.39 5.75 -0.49 -0.47 115.11 120.82 2jas h GLN 54 Ca 0.27 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 2jas h GLN 54 Cb 0.40 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2jas h GLN 54 CO -0.41 0.80 0.05 0.82 -2.65 0.00 0.00 178.83 177.44 2jas h ILE 55 N 0.93 1.26 -0.61 2.39 2.04 -0.80 -0.01 117.51 122.71 2jas h ILE 55 Ca 0.22 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2jas h ILE 55 Cb 0.17 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2jas h ILE 55 CO -0.02 0.39 0.40 0.22 0.00 0.00 0.00 178.15 179.14 2jas h TYR 56 N 0.92 0.77 -0.37 1.37 3.20 -0.79 -2.20 116.97 119.88 2jas h TYR 56 Ca 0.18 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 2jas h TYR 56 Cb 0.49 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2jas h TYR 56 CO 0.04 0.49 -0.37 0.52 -1.64 0.00 0.00 178.16 177.20 2jas h MET 57 N 0.83 0.91 -0.34 1.82 2.86 -0.77 -2.52 114.93 117.72 2jas h MET 57 Ca 0.22 -0.48 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 2jas h MET 57 Cb -0.09 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2jas h MET 57 CO -0.05 1.13 -0.06 -0.07 1.06 0.00 0.00 176.91 178.92 2jas h LEU 58 N 0.72 0.53 -0.31 1.22 3.38 -0.87 -1.09 115.31 118.89 2jas h LEU 58 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jas h LEU 58 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2jas h LEU 58 CO 0.09 0.64 0.08 0.74 0.09 0.00 0.00 178.44 180.09 2jas h THR 59 N 0.52 1.21 -0.32 0.22 2.02 -1.35 -2.01 112.91 113.20 2jas h THR 59 Ca 0.10 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 2jas h THR 59 Cb 0.43 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2jas h THR 59 CO 0.02 0.24 0.09 0.00 0.37 0.00 0.00 175.52 176.24 2jas h ALA 60 N 0.91 0.43 -0.28 6.16 0.00 -0.98 -2.38 119.26 123.12 2jas h ALA 60 Ca 0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2jas h ALA 60 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jas h ALA 60 CO -0.00 0.08 -0.38 0.00 0.00 0.00 0.00 179.25 178.95 2jas h ARG 61 N 0.37 0.64 -1.01 0.00 3.08 -1.28 -2.06 114.38 114.12 2jas h ARG 61 Ca 0.10 -0.32 0.12 0.00 0.07 0.00 0.00 59.98 59.96 2jas h ARG 61 Cb 0.27 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 2jas h ARG 61 CO -0.00 0.92 0.63 1.03 -1.07 0.00 0.00 179.97 181.48 2jas h SER 62 N 0.53 0.92 -0.15 7.04 0.87 -1.24 -0.21 113.55 121.31 2jas h SER 62 Ca 0.05 0.05 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 2jas h SER 62 Cb 0.89 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2jas h SER 62 CO 0.08 0.48 -0.76 0.11 -0.53 0.00 0.00 176.83 176.21 2jas h LYS 63 N 0.99 0.79 -0.08 2.24 1.57 -1.06 -3.13 116.57 117.87 2jas h LYS 63 Ca 0.50 -0.64 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2jas h LYS 63 Cb 0.51 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2jas h LYS 63 CO -0.27 1.25 -0.11 1.96 -0.57 0.00 0.00 179.45 181.71 2jas h GLN 64 N 0.52 -0.14 0.01 3.15 4.20 -0.99 -3.26 115.11 118.60 2jas h GLN 64 Ca -0.05 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2jas h GLN 64 Cb 1.40 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.16 2jas h GLN 64 CO 0.16 -0.09 -0.43 1.25 -0.67 0.00 0.00 178.83 179.04 2jas h LEU 65 N -0.15 -1.32 0.00 1.46 5.85 -1.07 -1.68 115.31 118.40 2jas h LEU 65 Ca 0.07 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2jas h LEU 65 Cb 0.25 0.50 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2jas h LEU 65 CO -0.17 -0.42 0.00 2.29 -0.34 0.00 0.00 178.44 179.80 2jas n LYS 66 N -4.86 0.28 -0.00 1.25 2.85 -1.19 -0.38 118.16 116.11 2jas n LYS 66 Ca -0.06 0.10 0.06 0.00 -1.05 0.00 0.00 58.31 57.36 2jas n LYS 66 Cb 0.32 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.12 2jas n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jas n GLN 67 N -1.29 1.45 -0.05 -1.58 10.64 -1.19 -4.67 117.38 120.69 2jas n GLN 67 Ca 0.09 -0.07 -0.22 0.00 -1.83 0.00 0.00 57.00 54.98 2jas n GLN 67 Cb 0.16 -1.19 -0.13 0.00 -0.86 0.00 0.00 30.24 28.22 2jas n GLN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jas n ALA 68 N -1.67 0.96 -0.47 2.61 0.00 -0.51 -4.32 120.51 117.12 2jas n ALA 68 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2jas n ALA 68 Cb 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2jas n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jas n LYS 69 N -3.72 0.96 0.00 0.00 5.02 0.49 0.23 118.16 121.13 2jas n LYS 69 Ca -0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 2jas n LYS 69 Cb 0.95 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 2jas n LYS 69 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jas n ASN 70 N 1.51 1.82 -4.86 4.39 5.15 -1.26 -5.02 115.26 116.99 2jas n ASN 70 Ca 0.00 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.50 2jas n ASN 70 Cb 0.48 0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 40.33 2jas n ASN 70 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jas s LEU 71 N -1.66 4.25 0.02 1.20 1.43 0.13 -5.03 118.68 119.02 2jas s LEU 71 Ca 0.00 1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2jas s LEU 71 Cb 0.00 -3.49 -0.28 0.00 0.03 0.00 0.00 46.19 42.44 2jas s LEU 71 CO 0.00 0.01 0.94 -0.08 0.23 0.00 0.00 176.35 177.45 2jas h GLU 72 N 3.02 0.28 -5.28 1.70 4.57 -1.94 -3.44 114.58 113.49 2jas h GLU 72 Ca -0.48 -0.47 -0.67 0.00 -1.18 0.00 0.00 59.36 56.56 2jas h GLU 72 Cb 1.18 0.18 -0.31 0.00 -0.16 0.00 0.00 28.75 29.64 2jas h GLU 72 CO 0.67 1.17 -0.82 -0.80 -1.18 0.00 0.00 179.01 178.04 2jas s ASN 73 N -7.07 3.52 -0.07 1.04 0.01 -1.26 -3.72 114.94 107.40 2jas s ASN 73 Ca -0.08 -0.47 -0.06 0.00 -0.71 0.00 0.00 52.86 51.55 2jas s ASN 73 Cb 0.07 -1.51 0.02 0.00 0.41 0.00 0.00 41.25 40.23 2jas s ASN 73 CO 0.87 0.13 0.17 0.27 -1.51 0.00 0.00 177.10 177.03 2jas s ILE 74 N 0.52 -0.00 -0.20 0.60 -4.36 -1.06 -4.54 121.20 112.16 2jas s ILE 74 Ca -0.12 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 2jas s ILE 74 Cb -0.16 -0.25 0.02 0.00 1.25 0.00 0.00 42.46 43.31 2jas s ILE 74 CO 0.05 0.01 -0.16 -0.63 0.24 0.00 0.00 174.94 174.44 2jas s ILE 75 N 0.21 2.36 -0.28 8.37 1.01 -0.64 -0.46 121.20 131.76 2jas s ILE 75 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2jas s ILE 75 Cb -0.02 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 2jas s ILE 75 CO -0.01 0.47 0.15 -0.36 0.00 0.00 0.00 174.94 175.19 2jas s PHE 76 N 1.32 3.17 -0.75 3.97 0.40 -0.19 -1.34 117.98 124.55 2jas s PHE 76 Ca 0.04 -0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 55.85 2jas s PHE 76 Cb -0.14 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.08 2jas s PHE 76 CO -0.10 -0.32 1.44 0.34 0.70 0.00 0.00 175.22 177.28 2jas s ASP 77 N 1.67 5.99 0.28 1.36 -1.08 -1.13 -0.72 116.67 123.05 2jas s ASP 77 Ca 0.06 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 2jas s ASP 77 Cb -0.16 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2jas s ASP 77 CO 0.07 -1.94 0.00 -1.14 0.52 0.00 0.00 175.17 172.68 2jas n ARG 78 N 9.26 -2.31 -3.03 4.34 0.63 -0.88 -4.36 116.66 120.31 2jas n ARG 78 Ca 0.11 1.74 -0.18 0.00 -0.92 0.00 0.00 57.85 58.61 2jas n ARG 78 Cb 0.50 -2.03 0.02 0.00 0.45 0.00 0.00 32.46 31.41 2jas n ARG 78 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2jas s THR 79 N -3.37 2.75 -0.68 5.15 -4.23 -1.26 -4.92 115.64 109.07 2jas s THR 79 Ca 0.00 -1.01 0.26 0.00 -1.18 0.00 0.00 61.69 59.76 2jas s THR 79 Cb 0.00 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.37 2jas s THR 79 CO 0.00 0.00 1.76 0.18 -0.54 0.00 0.00 174.62 176.02 2jas n LEU 80 N -1.96 0.80 -1.45 4.79 4.77 -1.26 -3.44 117.00 119.26 2jas n LEU 80 Ca 0.10 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 2jas n LEU 80 Cb 0.60 -0.37 0.34 0.00 -2.33 0.00 0.00 43.42 41.66 2jas n LEU 80 CO 0.39 -0.26 0.80 0.18 -1.33 0.00 0.00 177.39 177.17 2jas n LEU 81 N -2.28 4.80 -0.03 2.23 4.77 -1.26 -4.32 117.00 120.91 2jas n LEU 81 Ca 0.05 -2.77 0.07 0.00 -0.03 0.00 0.00 56.01 53.33 2jas n LEU 81 Cb 0.39 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 2jas n LEU 81 CO 0.28 0.70 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.41 2jas n GLU 82 N 0.44 2.12 -0.31 3.23 1.02 -1.22 -4.56 120.64 121.36 2jas n GLU 82 Ca 0.24 -0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.34 2jas n GLU 82 Cb 0.98 -1.20 0.16 0.00 -0.02 0.00 0.00 31.44 31.37 2jas n GLU 82 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jas h ASP 83 N 0.14 0.77 -0.32 1.62 3.32 -1.81 -2.20 116.42 117.95 2jas h ASP 83 Ca 0.00 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.18 2jas h ASP 83 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2jas h ASP 83 CO 0.00 0.46 0.29 -0.65 -1.72 0.00 0.00 179.24 177.62 2jas h PRO 84 N 0.89 0.00 -0.66 3.56 0.11 -1.91 -1.71 132.00 132.27 2jas h PRO 84 Ca 0.40 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.64 2jas h PRO 84 Cb 0.29 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.30 2jas h PRO 84 CO -0.22 0.00 0.13 0.82 -0.21 0.00 0.00 178.00 178.52 2jas h ILE 85 N 0.00 0.56 -0.22 4.15 2.04 -1.71 0.27 117.51 122.60 2jas h ILE 85 Ca 0.15 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2jas h ILE 85 Cb 0.72 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2jas h ILE 85 CO -0.00 0.04 -0.32 -0.26 0.00 0.00 0.00 178.15 177.61 2jas h PHE 86 N 0.24 0.52 -0.22 1.37 -1.00 -1.46 -1.18 116.94 115.21 2jas h PHE 86 Ca 0.36 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.98 2jas h PHE 86 Cb 0.58 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 2jas h PHE 86 CO -0.28 0.73 -0.01 1.98 -1.61 0.00 0.00 178.31 179.13 2jas h MET 87 N 0.39 0.39 -0.98 1.51 4.05 -1.35 -2.77 114.93 116.16 2jas h MET 87 Ca 0.05 -0.13 0.17 0.00 -0.28 0.00 0.00 59.70 59.51 2jas h MET 87 Cb 0.76 -0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.44 2jas h MET 87 CO 0.06 0.59 0.61 -0.22 0.23 0.00 0.00 176.91 178.18 2jas h LYS 88 N 0.15 0.76 -0.18 0.39 1.63 -0.15 -1.06 116.57 118.10 2jas h LYS 88 Ca 0.06 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2jas h LYS 88 Cb 0.42 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2jas h LYS 88 CO 0.01 0.50 0.03 0.28 -3.45 0.00 0.00 179.45 176.82 2jas h VAL 89 N 0.78 1.22 -0.04 2.00 2.07 -1.08 -1.16 116.25 120.04 2jas h VAL 89 Ca 0.53 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2jas h VAL 89 Cb 0.81 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2jas h VAL 89 CO -0.31 0.22 -0.32 0.78 0.02 0.00 0.00 177.57 177.96 2jas h ASN 90 N 0.09 0.06 -0.28 0.57 2.35 -1.14 -1.18 115.58 116.06 2jas h ASN 90 Ca 0.05 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2jas h ASN 90 Cb 0.31 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jas h ASN 90 CO 0.00 0.38 0.12 0.22 -1.65 0.00 0.00 177.43 176.51 2jas h TYR 91 N 0.06 0.42 -0.71 1.19 3.20 -1.00 0.43 116.97 120.57 2jas h TYR 91 Ca 0.01 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jas h TYR 91 Cb 0.59 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2jas h TYR 91 CO 0.00 0.41 0.47 -0.44 -1.64 0.00 0.00 178.16 176.96 2jas h ASP 92 N 0.31 0.81 -0.38 -2.11 3.32 -0.35 -2.58 116.42 115.43 2jas h ASP 92 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jas h ASP 92 Cb 0.16 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2jas h ASP 92 CO -0.01 0.58 0.00 0.18 -1.72 0.00 0.00 179.24 178.27 2jas n LEU 93 N -4.43 2.37 -3.04 1.55 4.77 -0.53 -4.92 117.00 112.77 2jas n LEU 93 Ca 0.08 -1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 54.65 2jas n LEU 93 Cb 0.05 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2jas n LEU 93 CO 0.36 0.52 -0.02 0.59 -1.33 0.00 0.00 177.39 177.51 2jas n ASN 94 N 0.61 -5.83 -0.60 -1.43 4.13 -0.97 -4.89 115.26 106.28 2jas n ASN 94 Ca 0.14 -0.29 0.12 0.00 1.68 0.00 0.00 54.58 56.23 2jas n ASN 94 Cb 0.41 -4.73 0.08 0.00 -1.54 0.00 0.00 39.78 34.00 2jas n ASN 94 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jas n ASN 95 N -2.48 2.18 -3.77 6.41 3.02 0.15 -4.84 115.26 115.93 2jas n ASN 95 Ca -0.11 -1.59 -0.14 0.00 -0.03 0.00 0.00 54.58 52.72 2jas n ASN 95 Cb 0.61 0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 39.94 2jas n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jas s VAL 96 N -2.33 -0.04 0.81 2.41 1.01 -1.14 -4.55 120.40 116.57 2jas s VAL 96 Ca 0.22 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2jas s VAL 96 Cb 0.19 -0.20 0.10 0.00 0.00 0.00 0.00 36.38 36.47 2jas s VAL 96 CO 0.49 0.06 1.16 1.51 0.00 0.00 0.00 175.10 178.32 2jas s ASP 97 N 0.97 4.32 0.20 3.32 1.47 -1.26 -4.55 116.67 121.14 2jas s ASP 97 Ca -0.08 0.57 -0.11 0.00 1.18 0.00 0.00 52.55 54.12 2jas s ASP 97 Cb -0.10 -1.01 0.24 0.00 -0.34 0.00 0.00 42.92 41.71 2jas s ASP 97 CO -0.04 -1.98 1.75 -0.61 0.68 0.00 0.00 175.17 174.96 2jas h GLN 98 N -1.04 0.39 0.02 2.11 -0.00 -1.99 -1.60 115.11 113.00 2jas h GLN 98 Ca -0.45 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.18 2jas h GLN 98 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.70 2jas h GLN 98 CO 0.59 0.25 -0.01 1.15 0.00 0.00 0.00 178.83 180.81 2jas h THR 99 N 0.40 0.98 -0.54 2.39 2.02 -1.99 -1.12 112.91 115.05 2jas h THR 99 Ca 0.29 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 2jas h THR 99 Cb 0.33 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2jas h THR 99 CO -0.28 0.00 0.15 0.44 0.37 0.00 0.00 175.52 176.20 2jas h ASP 100 N -0.03 0.75 -0.30 4.18 5.19 -1.87 -0.94 116.42 123.39 2jas h ASP 100 Ca -0.00 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 2jas h ASP 100 Cb 0.03 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2jas h ASP 100 CO 0.00 0.73 0.08 0.22 -3.12 0.00 0.00 179.24 177.15 2jas h TYR 101 N 0.79 0.50 -0.74 4.55 3.20 -1.13 -0.62 116.97 123.52 2jas h TYR 101 Ca 0.18 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.07 2jas h TYR 101 Cb 0.26 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 2jas h TYR 101 CO 0.02 0.54 0.41 -0.97 -1.64 0.00 0.00 178.16 176.51 2jas h ASN 102 N 0.32 0.58 -0.62 -2.11 -0.73 -0.80 -0.83 115.58 111.38 2jas h ASN 102 Ca 0.09 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 2jas h ASN 102 Cb 0.28 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 2jas h ASN 102 CO 0.00 0.35 0.25 0.74 -0.37 0.00 0.00 177.43 178.40 2jas h THR 103 N 0.71 1.23 0.12 -3.57 2.02 -0.99 -2.38 112.91 110.04 2jas h THR 103 Ca 0.35 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2jas h THR 103 Cb 0.30 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2jas h THR 103 CO -0.23 0.29 -0.06 0.22 0.37 0.00 0.00 175.52 176.11 2jas h TYR 104 N 0.87 -0.14 -0.62 3.16 3.20 -0.31 -1.23 116.97 121.90 2jas h TYR 104 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2jas h TYR 104 Cb 0.20 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2jas h TYR 104 CO 0.01 0.04 0.13 0.82 -1.64 0.00 0.00 178.16 177.53 2jas h ILE 105 N -0.31 1.25 -0.40 1.81 2.04 -1.21 0.18 117.51 120.87 2jas h ILE 105 Ca -0.02 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2jas h ILE 105 Cb 0.25 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2jas h ILE 105 CO 0.03 0.35 0.09 -0.78 0.00 0.00 0.00 178.15 177.83 2jas h ASP 106 N 0.93 0.62 -0.39 1.72 3.58 -1.41 -1.95 116.42 119.52 2jas h ASP 106 Ca 0.20 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2jas h ASP 106 Cb 0.35 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2jas h ASP 106 CO 0.00 0.70 0.16 0.15 -2.88 0.00 0.00 179.24 177.37 2jas h PHE 107 N 0.51 0.59 -0.33 0.28 3.57 -0.65 -2.54 116.94 118.37 2jas h PHE 107 Ca 0.13 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2jas h PHE 107 Cb 0.33 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2jas h PHE 107 CO 0.02 0.53 0.17 -0.92 -2.23 0.00 0.00 178.31 175.87 2jas h TYR 108 N 0.49 0.44 0.05 0.41 3.20 -0.54 -2.18 116.97 118.84 2jas h TYR 108 Ca 0.13 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 2jas h TYR 108 Cb 0.18 -0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.32 2jas h TYR 108 CO -0.00 0.33 -0.66 -0.97 -1.64 0.00 0.00 178.16 175.22 2jas h ASN 109 N 0.46 0.50 1.61 -2.11 -0.73 -1.08 -1.25 115.58 112.97 2jas h ASN 109 Ca 0.12 -0.83 -0.03 0.00 1.87 0.00 0.00 56.30 57.43 2jas h ASN 109 Cb 0.04 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.47 2jas h ASN 109 CO -0.02 1.27 -0.40 0.78 -0.37 0.00 0.00 177.43 178.69 2jas h ASN 110 N -0.21 0.00 0.01 1.15 2.35 -1.45 -3.16 115.58 114.27 2jas h ASN 110 Ca -0.10 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.24 2jas h ASN 110 Cb 1.41 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.72 2jas h ASN 110 CO 0.13 0.12 -2.36 0.52 -1.65 0.00 0.00 177.43 174.19 2jas n VAL 111 N -3.01 1.54 -0.07 2.81 0.31 -0.82 -4.69 118.33 114.39 2jas n VAL 111 Ca 0.02 -0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 63.85 2jas n VAL 111 Cb 0.59 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 2jas n VAL 111 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jas n VAL 112 N -3.87 1.33 0.02 2.52 0.31 -0.52 -4.53 118.33 113.59 2jas n VAL 112 Ca -0.48 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2jas n VAL 112 Cb 0.92 -2.29 0.01 0.00 -0.91 0.00 0.00 33.84 31.56 2jas n VAL 112 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jas n LEU 113 N -4.34 0.00 -4.27 7.52 4.77 -0.91 -3.88 117.00 115.89 2jas n LEU 113 Ca -0.10 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.44 2jas n LEU 113 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2jas n LEU 113 CO 0.15 0.00 0.24 -1.61 -1.33 0.00 0.00 177.39 174.83 2jas s GLU 114 N -2.00 3.14 0.00 3.23 0.41 -1.24 -5.02 118.70 117.22 2jas s GLU 114 Ca 0.00 -2.18 0.00 0.00 -0.41 0.00 0.00 54.97 52.38 2jas s GLU 114 Cb 0.00 -4.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.13 2jas s GLU 114 CO 0.00 -1.27 0.00 0.09 -0.49 0.00 0.00 175.26 173.59 2jas n ASN 115 N 4.36 0.00 0.00 -0.19 3.02 -1.25 -5.00 115.26 116.20 2jas n ASN 115 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jas n ASN 115 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2jas n ASN 115 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jas n SER 124 N 0.00 0.00 -4.86 6.41 7.64 -1.26 -5.22 113.62 116.33 2jas n SER 124 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2jas n SER 124 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2jas n SER 124 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2jas s PHE 125 N 0.00 3.39 0.02 1.43 0.40 -1.26 -4.84 117.98 117.12 2jas s PHE 125 Ca 0.00 1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.43 2jas s PHE 125 Cb 0.00 -2.47 -0.28 0.00 0.51 0.00 0.00 43.02 40.78 2jas s PHE 125 CO 0.00 0.12 0.92 -0.44 0.70 0.00 0.00 175.22 176.52 2jas h ASP 126 N 2.25 0.41 -3.52 1.36 3.32 -1.19 -3.44 116.42 115.60 2jas h ASP 126 Ca -0.48 -0.53 -0.26 0.00 0.02 0.00 0.00 57.03 55.78 2jas h ASP 126 Cb 1.17 -0.13 -0.32 0.00 0.22 0.00 0.00 39.33 40.27 2jas h ASP 126 CO 0.66 1.43 -0.66 -0.63 -1.72 0.00 0.00 179.24 178.32 2jas s ILE 127 N -2.62 -0.05 -0.38 0.35 1.01 -1.21 -4.75 121.20 113.55 2jas s ILE 127 Ca -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 2jas s ILE 127 Cb 0.07 -0.15 0.09 0.00 0.01 0.00 0.00 42.46 42.48 2jas s ILE 127 CO 0.86 0.07 0.16 -0.69 0.00 0.00 0.00 174.94 175.34 2jas s VAL 128 N 0.96 3.34 -0.61 2.92 1.01 -0.02 -1.25 120.40 126.75 2jas s VAL 128 Ca -0.08 -1.79 -0.27 0.00 0.00 0.00 0.00 61.98 59.84 2jas s VAL 128 Cb -0.11 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jas s VAL 128 CO -0.04 -0.51 1.16 -0.63 0.00 0.00 0.00 175.10 175.08 2jas s ILE 129 N 1.21 4.02 -0.53 2.22 1.01 0.12 -1.09 121.20 128.16 2jas s ILE 129 Ca 0.04 0.66 -0.28 0.00 0.00 0.00 0.00 60.65 61.06 2jas s ILE 129 Cb -0.22 -4.74 0.03 0.00 0.01 0.00 0.00 42.46 37.54 2jas s ILE 129 CO -0.02 -1.42 1.15 -0.47 0.00 0.00 0.00 174.94 174.17 2jas s TYR 130 N 4.94 2.72 -0.82 3.97 5.04 -0.04 -0.97 117.35 132.19 2jas s TYR 130 Ca 0.39 0.55 -0.23 0.00 -2.44 0.00 0.00 57.07 55.34 2jas s TYR 130 Cb -0.09 -4.46 0.07 0.00 0.35 0.00 0.00 41.96 37.84 2jas s TYR 130 CO 0.22 -1.41 1.17 -0.51 -1.34 0.00 0.00 175.55 173.67 2jas s LEU 131 N 4.66 4.13 -0.02 6.97 1.43 0.01 -0.50 118.68 135.36 2jas s LEU 131 Ca 0.45 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.10 2jas s LEU 131 Cb -0.07 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2jas s LEU 131 CO 0.29 -1.44 0.54 -0.60 0.23 0.00 0.00 176.35 175.38 2jas s ARG 132 N 4.23 4.26 0.04 1.70 3.52 -0.48 -4.62 118.95 127.60 2jas s ARG 132 Ca 0.33 0.63 -0.18 0.00 -0.13 0.00 0.00 55.73 56.38 2jas s ARG 132 Cb -0.08 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2jas s ARG 132 CO 0.02 0.38 0.41 0.14 -0.81 0.00 0.00 175.30 175.44 2jas s VAL 133 N -0.18 0.06 0.66 7.11 -7.23 -1.26 -0.73 120.40 118.83 2jas s VAL 133 Ca 0.29 -0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 59.89 2jas s VAL 133 Cb -0.17 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 2jas s VAL 133 CO 0.15 -0.25 1.05 -0.94 -0.31 0.00 0.00 175.10 174.80 2jas s SER 134 N -1.99 5.66 0.11 4.85 1.04 -1.26 -4.94 113.70 117.16 2jas s SER 134 Ca -0.05 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 57.75 2jas s SER 134 Cb -0.01 -2.49 -0.11 0.00 0.10 0.00 0.00 66.02 63.51 2jas s SER 134 CO -0.02 -1.26 1.75 0.74 0.98 0.00 0.00 173.24 175.44 2jas h THR 135 N -0.49 1.03 0.00 2.02 2.02 -1.97 -2.33 112.91 113.20 2jas h THR 135 Ca -0.44 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2jas h THR 135 Cb 1.20 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2jas h THR 135 CO 0.58 0.03 -0.09 0.11 0.37 0.00 0.00 175.52 176.53 2jas h LYS 136 N 0.15 0.00 0.07 6.66 1.57 -1.98 0.18 116.57 123.22 2jas h LYS 136 Ca 0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.56 2jas h LYS 136 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 2jas h LYS 136 CO -0.01 0.09 -1.06 1.15 -0.57 0.00 0.00 179.45 179.05 2jas h THR 137 N 0.00 1.32 -0.36 -0.16 2.02 -1.92 -2.68 112.91 111.13 2jas h THR 137 Ca -0.00 -2.34 -0.03 0.00 0.77 0.00 0.00 66.41 64.81 2jas h THR 137 Cb 0.19 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 2jas h THR 137 CO 0.01 0.71 0.11 0.00 0.37 0.00 0.00 175.52 176.72 2jas h ALA 138 N 0.31 0.47 -0.69 6.16 0.00 -0.76 -1.73 119.26 123.02 2jas h ALA 138 Ca -0.15 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.70 2jas h ALA 138 Cb 1.74 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 2jas h ALA 138 CO 0.20 0.11 0.30 0.82 0.00 0.00 0.00 179.25 180.69 2jas h ILE 139 N 0.42 0.78 -0.31 0.00 2.04 -0.77 0.73 117.51 120.40 2jas h ILE 139 Ca 0.11 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2jas h ILE 139 Cb 0.26 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2jas h ILE 139 CO -0.00 0.09 -0.07 0.77 0.00 0.00 0.00 178.15 178.93 2jas h SER 140 N 0.50 0.49 1.25 1.72 4.64 -1.16 -1.76 113.55 119.23 2jas h SER 140 Ca 0.35 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2jas h SER 140 Cb 0.43 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2jas h SER 140 CO -0.31 0.61 -0.57 0.03 -0.87 0.00 0.00 176.83 175.72 2jas h ARG 141 N 0.48 0.00 -0.09 4.77 3.08 -0.45 -2.96 114.38 119.21 2jas h ARG 141 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2jas h ARG 141 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2jas h ARG 141 CO 0.02 0.57 0.05 0.82 -1.07 0.00 0.00 179.97 180.37 2jas h ILE 142 N 0.00 1.04 -0.87 2.04 2.04 -0.51 -1.88 117.51 119.37 2jas h ILE 142 Ca -0.01 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.83 2jas h ILE 142 Cb 1.35 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 2jas h ILE 142 CO 0.07 0.04 0.57 0.11 0.00 0.00 0.00 178.15 178.94 2jas h LYS 143 N 0.09 0.89 0.00 2.37 1.57 -1.17 -2.20 116.57 118.12 2jas h LYS 143 Ca 0.03 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2jas h LYS 143 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2jas h LYS 143 CO -0.01 0.59 -1.97 0.36 -0.57 0.00 0.00 179.45 177.85 2jas n LYS 144 N -4.51 0.85 0.00 3.15 2.85 -1.17 -4.79 118.16 114.54 2jas n LYS 144 Ca 0.14 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2jas n LYS 144 Cb 0.26 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 2jas n LYS 144 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jas n ARG 145 N -2.34 1.33 0.00 -1.58 1.74 -0.72 -5.09 116.66 110.01 2jas n ARG 145 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2jas n ARG 145 Cb 0.72 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 2jas n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jas n GLY 146 N 2.19 0.57 3.91 -0.13 0.00 -0.83 -5.02 105.19 105.87 2jas n GLY 146 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 2jas n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jas s ARG 147 N 0.68 3.58 0.26 1.61 1.81 -1.26 -5.00 118.95 120.64 2jas s ARG 147 Ca 0.00 -0.17 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 2jas s ARG 147 Cb 0.00 -2.83 0.34 0.00 -0.45 0.00 0.00 34.95 32.01 2jas s ARG 147 CO 0.00 0.43 1.69 0.66 -0.68 0.00 0.00 175.30 177.39 2jas h SER 148 N 2.46 0.55 -0.59 0.23 4.64 -1.98 -2.94 113.55 115.92 2jas h SER 148 Ca -0.47 -0.20 0.13 0.00 -0.47 0.00 0.00 61.79 60.78 2jas h SER 148 Cb 1.17 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2jas h SER 148 CO 0.71 0.80 0.41 -0.33 -0.87 0.00 0.00 176.83 177.54 2jas h GLU 149 N 0.47 0.25 0.00 4.77 3.07 -1.95 -0.35 114.58 120.85 2jas h GLU 149 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2jas h GLU 149 Cb 0.72 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2jas h GLU 149 CO 0.06 0.17 0.00 0.93 -1.40 0.00 0.00 179.01 178.76 2jas h GLU 150 N 0.26 0.00 0.00 2.33 5.08 -1.89 -2.51 114.58 117.85 2jas h GLU 150 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jas h GLU 150 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2jas h GLU 150 CO -0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 2jas n LEU 151 N -3.06 0.00 -0.00 1.33 4.77 -0.14 -4.13 117.00 115.76 2jas n LEU 151 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2jas n LEU 151 Cb 0.23 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2jas n LEU 151 CO 0.25 0.00 -0.50 0.18 -1.33 0.00 0.00 177.39 175.98 2jas n LEU 152 N -0.89 0.70 -4.95 2.23 4.77 -0.95 -4.91 117.00 113.00 2jas n LEU 152 Ca 0.15 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2jas n LEU 152 Cb 0.07 0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2jas n LEU 152 CO 0.11 0.25 0.12 0.27 -1.33 0.00 0.00 177.39 176.81 2jas s ILE 153 N -2.81 5.15 1.28 -0.08 -0.00 -1.25 -4.90 121.20 118.58 2jas s ILE 153 Ca -0.05 -0.58 -0.21 0.00 -0.00 0.00 0.00 60.65 59.81 2jas s ILE 153 Cb 0.08 -3.86 0.32 0.00 -0.00 0.00 0.00 42.46 39.00 2jas s ILE 153 CO 0.82 -0.49 1.07 -0.83 -0.00 0.00 0.00 174.94 175.51 2jas s GLY 154 N -3.98 1.55 0.24 6.27 0.00 -1.26 -4.97 107.32 105.16 2jas s GLY 154 Ca 0.38 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 44.19 2jas s GLY 154 CO 0.34 -0.04 1.55 0.83 0.00 0.00 0.00 173.10 175.78 2jas h GLU 155 N -2.86 0.13 -0.99 2.90 4.39 -2.00 -3.22 114.58 112.93 2jas h GLU 155 Ca -0.43 -0.10 0.18 0.00 0.34 0.00 0.00 59.36 59.34 2jas h GLU 155 Cb 1.30 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.87 2jas h GLU 155 CO 0.30 0.74 0.62 0.93 -1.16 0.00 0.00 179.01 180.44 2jas h GLU 156 N 0.09 0.76 -0.43 2.33 3.07 -1.99 -1.44 114.58 116.96 2jas h GLU 156 Ca -0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2jas h GLU 156 Cb 1.18 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.90 2jas h GLU 156 CO 0.10 0.50 0.26 -0.92 -1.40 0.00 0.00 179.01 177.55 2jas h TYR 157 N 0.78 0.57 -0.42 4.33 3.20 -1.93 -0.26 116.97 123.23 2jas h TYR 157 Ca 0.55 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.28 2jas h TYR 157 Cb 0.83 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2jas h TYR 157 CO -0.00 0.40 -0.27 -1.49 -1.64 0.00 0.00 178.16 175.15 2jas h TRP 158 N 0.58 1.05 -0.24 -3.82 -0.00 -1.46 0.19 115.95 112.26 2jas h TRP 158 Ca 0.16 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.89 58.78 2jas h TRP 158 Cb -0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 28.90 2jas h TRP 158 CO -0.03 1.07 0.14 0.93 -0.00 0.00 0.00 178.44 180.55 2jas h GLU 159 N 0.77 0.32 -0.62 0.49 5.08 -1.22 -0.25 114.58 119.15 2jas h GLU 159 Ca 0.09 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2jas h GLU 159 Cb 0.84 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2jas h GLU 159 CO 0.07 0.25 0.08 1.15 -1.00 0.00 0.00 179.01 179.57 2jas h THR 160 N 0.29 1.26 -0.26 1.13 2.02 -0.93 -0.19 112.91 116.23 2jas h THR 160 Ca 0.08 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 2jas h THR 160 Cb 0.01 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2jas h THR 160 CO -0.02 0.38 -0.33 0.25 0.37 0.00 0.00 175.52 176.17 2jas h LEU 161 N 0.96 0.57 -0.10 2.58 5.85 -0.81 -1.21 115.31 123.15 2jas h LEU 161 Ca 0.19 -0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.44 2jas h LEU 161 Cb 0.44 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2jas h LEU 161 CO 0.01 0.87 -0.89 -1.13 -0.34 0.00 0.00 178.44 176.96 2jas h ASN 162 N 0.47 0.91 -0.46 1.25 -1.24 -0.80 -1.45 115.58 114.26 2jas h ASN 162 Ca 0.05 -0.65 0.02 0.00 0.71 0.00 0.00 56.30 56.43 2jas h ASN 162 Cb 0.80 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 2jas h ASN 162 CO 0.07 1.45 0.27 0.50 -1.29 0.00 0.00 177.43 178.43 2jas h LYS 163 N 0.47 0.54 -0.19 6.67 3.64 -1.00 -1.61 116.57 125.08 2jas h LYS 163 Ca -0.08 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2jas h LYS 163 Cb 1.53 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 2jas h LYS 163 CO 0.18 0.35 -0.42 -0.91 -2.27 0.00 0.00 179.45 176.38 2jas h ASN 164 N 0.55 0.47 -0.61 4.20 2.35 -1.17 -1.12 115.58 120.24 2jas h ASN 164 Ca 0.18 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2jas h ASN 164 Cb 0.01 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2jas h ASN 164 CO -0.08 0.83 0.28 1.88 -1.65 0.00 0.00 177.43 178.69 2jas h TYR 165 N 0.36 0.90 -0.37 1.19 -1.99 -1.19 -0.36 116.97 115.51 2jas h TYR 165 Ca 0.03 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.72 2jas h TYR 165 Cb 0.89 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 2jas h TYR 165 CO 0.03 0.69 0.22 1.49 -0.00 0.00 0.00 178.16 180.59 2jas h GLU 166 N 0.84 0.44 -0.56 4.88 4.57 -1.00 -2.01 114.58 121.74 2jas h GLU 166 Ca 0.21 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 2jas h GLU 166 Cb 0.14 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2jas h GLU 166 CO -0.02 0.29 0.05 0.93 -1.18 0.00 0.00 179.01 179.08 2jas h GLU 167 N 0.46 0.92 -0.08 1.92 5.08 -1.03 -1.34 114.58 120.50 2jas h GLU 167 Ca 0.14 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2jas h GLU 167 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jas h GLU 167 CO -0.06 0.88 0.03 0.35 -1.00 0.00 0.00 179.01 179.22 2jas h PHE 168 N 0.86 0.06 -0.38 4.33 3.57 -0.91 -1.41 116.94 123.06 2jas h PHE 168 Ca 0.17 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.72 2jas h PHE 168 Cb 0.44 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2jas h PHE 168 CO 0.03 0.03 0.12 -0.92 -2.23 0.00 0.00 178.31 175.34 2jas h TYR 169 N 0.08 0.21 -0.67 0.41 3.20 -1.10 0.66 116.97 119.75 2jas h TYR 169 Ca 0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2jas h TYR 169 Cb 0.01 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2jas h TYR 169 CO -0.09 0.08 0.24 0.87 -1.64 0.00 0.00 178.16 177.61 2jas h LYS 170 N 0.27 1.03 -0.04 1.82 1.57 -1.12 -3.07 116.57 117.03 2jas h LYS 170 Ca 0.18 -0.20 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2jas h LYS 170 Cb 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2jas h LYS 170 CO -0.19 0.88 -0.83 1.96 -0.57 0.00 0.00 179.45 180.70 2jas h GLN 171 N 0.97 0.41 -6.92 3.15 4.20 -1.10 -3.48 115.11 112.33 2jas h GLN 171 Ca 0.22 -0.38 -0.59 0.00 0.06 0.00 0.00 58.65 57.96 2jas h GLN 171 Cb 0.26 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2jas h GLN 171 CO -0.01 1.04 -1.02 -1.71 -0.67 0.00 0.00 178.83 176.45 2jas n ASN 172 N -3.79 -4.23 0.23 1.46 5.15 0.21 -4.82 115.26 109.47 2jas n ASN 172 Ca -0.05 -1.27 0.08 0.00 -0.60 0.00 0.00 54.58 52.73 2jas n ASN 172 Cb 0.77 -1.68 0.56 0.00 -0.53 0.00 0.00 39.78 38.90 2jas n ASN 172 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2jas h VAL 173 N -2.43 0.94 -0.03 3.44 2.07 -1.92 -2.28 116.25 116.04 2jas h VAL 173 Ca -0.71 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2jas h VAL 173 Cb 1.41 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2jas h VAL 173 CO 0.50 0.19 -0.01 -1.22 0.02 0.00 0.00 177.57 177.05 2jas n TYR 174 N -4.01 0.00 -3.34 1.57 4.02 -1.26 -4.99 117.16 109.15 2jas n TYR 174 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 2jas n TYR 174 Cb 0.28 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.68 2jas n TYR 174 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2jas n ASP 175 N 1.27 -2.72 -4.76 7.72 4.64 -0.86 -4.99 116.55 116.85 2jas n ASP 175 Ca 0.13 -0.55 -0.39 0.00 -1.38 0.00 0.00 54.79 52.60 2jas n ASP 175 Cb 0.58 -4.72 0.02 0.00 -1.04 0.00 0.00 41.12 35.97 2jas n ASP 175 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2jas s PHE 176 N -3.32 2.46 -1.26 -0.67 2.99 -1.26 -4.93 117.98 111.99 2jas s PHE 176 Ca 0.09 1.33 -0.19 0.00 0.00 0.00 0.00 56.93 58.17 2jas s PHE 176 Cb -0.04 -3.82 0.05 0.00 0.00 0.00 0.00 43.02 39.21 2jas s PHE 176 CO 0.67 -2.75 1.73 -2.14 -0.00 0.00 0.00 175.22 172.73 2jas s PRO 177 N -2.60 3.80 0.37 0.24 0.02 -1.26 -4.98 135.00 130.58 2jas s PRO 177 Ca 0.64 -1.82 -0.26 0.00 0.02 0.00 0.00 61.00 59.58 2jas s PRO 177 Cb -0.41 -5.49 -0.09 0.00 0.02 0.00 0.00 34.50 28.53 2jas s PRO 177 CO 0.51 -2.43 1.16 -0.06 -0.33 0.00 0.00 177.00 175.85 2jas s PHE 178 N 5.00 3.18 -0.23 6.54 2.99 -1.26 -0.85 117.98 133.36 2jas s PHE 178 Ca 0.55 1.58 -0.02 0.00 0.00 0.00 0.00 56.93 59.03 2jas s PHE 178 Cb 0.03 -3.37 0.07 0.00 0.00 0.00 0.00 43.02 39.75 2jas s PHE 178 CO 0.07 -1.15 0.06 0.12 -0.00 0.00 0.00 175.22 174.31 2jas s PHE 179 N -1.36 1.13 0.02 0.36 5.36 -0.25 -4.85 117.98 118.39 2jas s PHE 179 Ca 0.54 -1.06 -0.30 0.00 -0.96 0.00 0.00 56.93 55.15 2jas s PHE 179 Cb -0.31 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.17 2jas s PHE 179 CO 0.39 -0.69 0.96 0.08 -1.46 0.00 0.00 175.22 174.51 2jas s VAL 180 N 1.82 4.80 -0.08 3.12 1.01 -1.26 -0.86 120.40 128.96 2jas s VAL 180 Ca 0.02 2.03 0.04 0.00 0.00 0.00 0.00 61.98 64.08 2jas s VAL 180 Cb -0.17 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2jas s VAL 180 CO -0.14 0.20 -0.21 -0.69 0.00 0.00 0.00 175.10 174.25 2jas s VAL 181 N 0.80 1.80 -0.63 2.92 1.01 0.35 -4.93 120.40 121.71 2jas s VAL 181 Ca 0.50 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 2jas s VAL 181 Cb -0.21 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2jas s VAL 181 CO 0.28 0.50 1.47 -0.62 0.00 0.00 0.00 175.10 176.73 2jas s ASP 182 N 0.27 5.96 0.00 3.32 2.15 -1.26 -1.39 116.67 125.71 2jas s ASP 182 Ca -0.13 0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.09 2jas s ASP 182 Cb -0.16 -2.55 0.65 0.00 -0.30 0.00 0.00 42.92 40.56 2jas s ASP 182 CO 0.06 -1.89 1.47 0.00 -0.17 0.00 0.00 175.17 174.64 2jas n ALA 183 N 10.18 2.51 0.27 3.66 0.00 0.09 -3.02 120.51 134.20 2jas n ALA 183 Ca 0.11 -0.47 0.16 0.00 0.00 0.00 0.00 53.44 53.24 2jas n ALA 183 Cb 0.50 -1.08 0.67 0.00 0.00 0.00 0.00 19.45 19.53 2jas n ALA 183 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jas h GLU 184 N 1.79 0.00 -7.29 0.00 4.39 -1.89 -3.45 114.58 108.12 2jas h GLU 184 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2jas h GLU 184 Cb 0.40 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.14 2jas h GLU 184 CO 0.00 0.06 0.37 -0.51 -1.16 0.00 0.00 179.01 177.77 2jas s LEU 185 N -6.40 3.23 1.08 1.33 1.43 -1.17 -5.04 118.68 113.13 2jas s LEU 185 Ca 0.00 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 2jas s LEU 185 Cb 0.10 -4.51 0.23 0.00 0.03 0.00 0.00 46.19 42.04 2jas s LEU 185 CO 0.56 -1.42 1.07 1.51 0.23 0.00 0.00 176.35 178.30 2jas s ASP 186 N -3.47 1.87 0.05 2.29 1.47 -1.26 -4.82 116.67 112.79 2jas s ASP 186 Ca 0.60 1.30 -0.24 0.00 1.18 0.00 0.00 52.55 55.39 2jas s ASP 186 Cb -0.15 -2.02 -0.17 0.00 -0.34 0.00 0.00 42.92 40.25 2jas s ASP 186 CO 0.50 -3.62 1.58 0.58 0.68 0.00 0.00 175.17 174.89 2jas h VAL 187 N -2.23 1.10 -0.81 2.11 2.07 -1.96 -2.84 116.25 113.69 2jas h VAL 187 Ca -0.58 -0.36 0.18 0.00 0.82 0.00 0.00 66.70 66.76 2jas h VAL 187 Cb 1.33 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 32.34 2jas h VAL 187 CO 0.55 0.09 0.31 0.11 0.02 0.00 0.00 177.57 178.65 2jas h LYS 188 N -0.18 0.38 -0.14 1.57 1.57 -2.00 -1.05 116.57 116.73 2jas h LYS 188 Ca -0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2jas h LYS 188 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jas h LYS 188 CO 0.00 0.25 -0.56 1.15 -0.57 0.00 0.00 179.45 179.73 2jas h THR 189 N 0.39 1.34 -0.03 -0.16 2.02 -1.91 -2.28 112.91 112.29 2jas h THR 189 Ca 0.47 -1.84 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 2jas h THR 189 Cb 0.81 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2jas h THR 189 CO -0.48 0.56 0.01 1.56 0.37 0.00 0.00 175.52 177.54 2jas h GLN 190 N 0.32 0.04 -0.57 6.66 4.20 -1.04 -2.79 115.11 121.94 2jas h GLN 190 Ca 0.00 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2jas h GLN 190 Cb 1.08 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 2jas h GLN 190 CO 0.10 0.20 0.27 0.82 -0.67 0.00 0.00 178.83 179.55 2jas h ILE 191 N -0.12 0.91 -0.76 2.54 1.08 -1.11 -0.69 117.51 119.36 2jas h ILE 191 Ca 0.01 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 2jas h ILE 191 Cb 0.17 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2jas h ILE 191 CO -0.00 0.09 0.27 -0.33 -0.69 0.00 0.00 178.15 177.49 2jas h GLU 192 N 0.51 1.15 0.06 2.37 5.08 -1.45 0.17 114.58 122.48 2jas h GLU 192 Ca 0.26 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jas h GLU 192 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jas h GLU 192 CO -0.20 0.96 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.67 2jas h LEU 193 N 1.12 -0.07 -0.41 1.33 3.38 -1.16 -2.34 115.31 117.15 2jas h LEU 193 Ca 0.25 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2jas h LEU 193 Cb 0.26 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2jas h LEU 193 CO -0.01 0.09 0.16 0.40 0.09 0.00 0.00 178.44 179.16 2jas h ILE 194 N -0.23 0.90 -0.19 1.22 2.04 -0.92 -2.34 117.51 118.00 2jas h ILE 194 Ca -0.01 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 2jas h ILE 194 Cb 0.20 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2jas h ILE 194 CO 0.01 0.06 -0.31 0.24 0.00 0.00 0.00 178.15 178.16 2jas h MET 195 N 0.33 0.37 -0.08 2.37 2.86 -0.93 -1.32 114.93 118.53 2jas h MET 195 Ca 0.19 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.58 2jas h MET 195 Cb 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2jas h MET 195 CO -0.18 0.64 -0.39 -0.91 1.06 0.00 0.00 176.91 177.14 2jas h ASN 196 N 0.32 0.18 0.43 1.22 2.35 -1.25 -2.70 115.58 116.14 2jas h ASN 196 Ca 0.04 -0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 2jas h ASN 196 Cb 0.71 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2jas h ASN 196 CO 0.05 0.56 -0.88 0.50 -1.65 0.00 0.00 177.43 176.01 2jas h LYS 197 N 0.15 0.31 0.00 0.81 1.63 -0.84 -3.18 116.57 115.45 2jas h LYS 197 Ca 0.02 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.45 2jas h LYS 197 Cb 0.75 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 2jas h LYS 197 CO 0.06 1.01 -0.18 -0.07 -3.45 0.00 0.00 179.45 176.82 2jas h LEU 198 N 0.18 0.00 -2.35 5.20 3.38 -1.21 -3.06 115.31 117.46 2jas h LEU 198 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2jas h LEU 198 Cb 1.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2jas h LEU 198 CO 0.14 0.18 0.08 0.59 0.09 0.00 0.00 178.44 179.52 2jas n ASN 199 N -3.27 3.41 0.00 -0.43 5.03 -1.03 -5.10 115.26 113.88 2jas n ASN 199 Ca 0.01 -2.24 0.00 0.00 0.87 0.00 0.00 54.58 53.22 2jas n ASN 199 Cb 0.46 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 2jas n ASN 199 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89