#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jas s LYS 2 N 0.00 2.70 -0.08 2.12 1.02 -1.26 -2.99 119.74 121.24 2jas s LYS 2 Ca 0.00 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2jas s LYS 2 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2jas s LYS 2 CO 0.00 -0.52 -0.10 0.42 -0.92 0.00 0.00 175.35 174.23 2jas s ILE 3 N 1.34 3.41 0.01 2.17 1.01 -0.46 -0.65 121.20 128.03 2jas s ILE 3 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.13 2jas s ILE 3 Cb -0.18 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2jas s ILE 3 CO -0.01 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.29 2jas s ALA 4 N -0.44 1.77 -0.18 9.38 0.00 -0.89 -0.08 121.76 131.32 2jas s ALA 4 Ca 0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2jas s ALA 4 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2jas s ALA 4 CO 0.02 0.42 -0.10 0.42 0.00 0.00 0.00 175.76 176.52 2jas s ILE 5 N -0.62 3.06 0.02 0.00 1.01 0.65 -0.96 121.20 124.35 2jas s ILE 5 Ca 0.08 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2jas s ILE 5 Cb -0.08 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2jas s ILE 5 CO 0.00 0.48 -0.21 0.12 0.00 0.00 0.00 174.94 175.33 2jas s PHE 6 N 1.00 1.89 0.00 3.97 5.36 0.17 -1.26 117.98 129.12 2jas s PHE 6 Ca -0.01 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2jas s PHE 6 Cb -0.15 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2jas s PHE 6 CO -0.01 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.20 2jas n GLY 7 N 2.13 2.80 3.60 13.12 0.00 -1.26 -1.01 105.19 124.56 2jas n GLY 7 Ca -0.16 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 1.56 0.10 2.61 -1.32 -1.26 -4.89 115.64 110.44 2jas s THR 8 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 2jas s THR 8 Cb 0.00 -2.51 -0.08 0.00 -1.51 0.00 0.00 72.50 68.40 2jas s THR 8 CO 0.00 0.00 1.40 -0.69 -2.21 0.00 0.00 174.62 173.12 2jas s VAL 9 N -3.05 3.34 0.00 5.08 1.01 -1.26 -2.37 120.40 123.15 2jas s VAL 9 Ca 0.72 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2jas s VAL 9 Cb -0.08 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2jas s VAL 9 CO 0.56 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2jas n GLY 10 N 3.53 0.76 0.24 4.51 0.00 -1.26 -4.67 105.19 108.30 2jas n GLY 10 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 1.20 -0.01 4.61 0.00 -1.76 -3.37 119.26 119.93 2jas h ALA 11 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jas h ALA 11 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jas h ALA 11 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2jas n GLY 12 N -0.38 1.64 0.22 0.00 0.00 -1.26 -4.97 105.19 100.44 2jas n GLY 12 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.23 0.03 1.61 1.57 -1.91 -2.03 116.57 116.07 2jas h LYS 13 Ca 0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 2jas h LYS 13 Cb 0.02 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2jas h LYS 13 CO 0.00 0.46 -0.57 0.66 -0.57 0.00 0.00 179.45 179.44 2jas h SER 14 N 0.21 0.45 -0.74 0.86 4.64 -1.97 -1.84 113.55 115.16 2jas h SER 14 Ca 0.04 -0.81 0.01 0.00 -0.47 0.00 0.00 61.79 60.56 2jas h SER 14 Cb 0.54 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 2jas h SER 14 CO 0.04 1.20 0.49 0.74 -0.87 0.00 0.00 176.83 178.43 2jas h THR 15 N -0.25 1.18 -0.19 2.95 2.02 -1.98 -1.80 112.91 114.85 2jas h THR 15 Ca -0.08 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2jas h THR 15 Cb 1.31 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2jas h THR 15 CO 0.11 0.18 -0.16 0.40 0.37 0.00 0.00 175.52 176.43 2jas h ILE 16 N 1.00 1.33 -0.86 3.11 5.03 -1.42 -2.94 117.51 122.76 2jas h ILE 16 Ca 0.27 -1.29 -0.02 0.00 -0.12 0.00 0.00 64.86 63.70 2jas h ILE 16 Cb -0.11 1.76 -0.04 0.00 -3.03 0.00 0.00 36.82 35.41 2jas h ILE 16 CO -0.06 0.39 0.45 0.77 -0.68 0.00 0.00 178.15 179.01 2jas h SER 17 N 0.10 1.09 -0.12 1.72 4.64 -1.27 -2.48 113.55 117.24 2jas h SER 17 Ca 0.03 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2jas h SER 17 Cb 0.68 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2jas h SER 17 CO 0.04 0.89 0.07 0.00 -0.87 0.00 0.00 176.83 176.96 2jas h ALA 18 N 1.28 0.15 -0.73 5.18 0.00 -1.32 0.55 119.26 124.37 2jas h ALA 18 Ca 0.30 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2jas h ALA 18 Cb 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2jas h ALA 18 CO -0.04 -0.33 0.45 0.93 0.00 0.00 0.00 179.25 180.25 2jas h GLU 19 N 0.11 0.83 -0.31 0.00 4.39 -1.42 -0.70 114.58 117.48 2jas h GLU 19 Ca 0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2jas h GLU 19 Cb 0.04 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2jas h GLU 19 CO -0.01 0.55 0.10 0.82 -1.16 0.00 0.00 179.01 179.31 2jas h ILE 20 N 0.85 1.20 0.00 3.13 2.04 -1.16 -1.50 117.51 122.07 2jas h ILE 20 Ca 0.31 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2jas h ILE 20 Cb 0.09 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2jas h ILE 20 CO -0.14 0.22 -0.07 -1.28 0.00 0.00 0.00 178.15 176.88 2jas h SER 21 N 0.34 0.00 -0.00 1.72 0.87 -0.38 0.80 113.55 116.90 2jas h SER 21 Ca 0.10 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 2jas h SER 21 Cb 0.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2jas h SER 21 CO -0.00 0.07 -0.72 0.50 -0.53 0.00 0.00 176.83 176.15 2jas h LYS 22 N 0.00 0.49 -0.04 2.24 3.64 -0.78 -2.50 116.57 119.63 2jas h LYS 22 Ca -0.00 -0.53 -0.13 0.00 -1.27 0.00 0.00 60.65 58.72 2jas h LYS 22 Cb 0.16 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2jas h LYS 22 CO 0.01 1.17 -0.50 0.87 -2.27 0.00 0.00 179.45 178.73 2jas h LYS 23 N 0.03 0.40 0.00 1.90 1.57 -0.21 -3.34 116.57 116.93 2jas h LYS 23 Ca -0.09 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2jas h LYS 23 Cb 1.42 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2jas h LYS 23 CO 0.14 1.04 -1.56 1.28 -0.57 0.00 0.00 179.45 179.78 2jas n LEU 24 N -4.28 0.37 -1.56 2.94 4.32 0.17 -5.01 117.00 113.94 2jas n LEU 24 Ca -0.09 0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 55.97 2jas n LEU 24 Cb 0.61 -0.03 0.03 0.00 -1.62 0.00 0.00 43.42 42.41 2jas n LEU 24 CO 0.45 -0.08 0.05 0.61 -1.22 0.00 0.00 177.39 177.21 2jas n GLY 25 N 1.23 0.36 3.95 -0.72 0.00 -0.94 -5.06 105.19 104.01 2jas n GLY 25 Ca -0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.10 1.63 -0.15 1.61 4.12 -1.23 -5.06 117.35 115.17 2jas s TYR 26 Ca 0.09 -0.77 -0.08 0.00 0.02 0.00 0.00 57.07 56.32 2jas s TYR 26 Cb -0.04 -2.04 -0.04 0.00 -1.52 0.00 0.00 41.96 38.32 2jas s TYR 26 CO 0.22 -0.69 0.13 -2.00 0.02 0.00 0.00 175.55 173.23 2jas s GLU 27 N -4.41 3.76 -0.06 -0.62 2.12 -1.26 -4.78 118.70 113.46 2jas s GLU 27 Ca 0.45 -0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.39 2jas s GLU 27 Cb -0.04 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2jas s GLU 27 CO 0.28 0.56 0.61 0.42 -0.54 0.00 0.00 175.26 176.59 2jas s ILE 28 N -0.40 5.05 -0.27 -3.70 1.01 -1.26 -1.76 121.20 119.86 2jas s ILE 28 Ca 0.12 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.91 2jas s ILE 28 Cb -0.12 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2jas s ILE 28 CO 0.01 0.32 0.18 -0.36 0.00 0.00 0.00 174.94 175.09 2jas s PHE 29 N 0.45 3.22 -0.08 3.97 0.40 -0.14 -4.99 117.98 120.82 2jas s PHE 29 Ca 0.32 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 2jas s PHE 29 Cb -0.17 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.01 2jas s PHE 29 CO 0.16 -0.15 -0.18 0.15 0.70 0.00 0.00 175.22 175.89 2jas s LYS 30 N 1.68 2.32 0.62 0.44 1.02 -1.26 -2.64 119.74 121.93 2jas s LYS 30 Ca 0.07 -0.64 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 2jas s LYS 30 Cb -0.16 -1.83 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 2jas s LYS 30 CO 0.10 0.11 1.25 -1.83 -0.92 0.00 0.00 175.35 174.06 2jas s GLU 31 N 0.47 2.75 0.16 1.68 -1.05 -1.26 -4.94 118.70 116.51 2jas s GLU 31 Ca -0.16 1.94 -0.31 0.00 -0.15 0.00 0.00 54.97 56.29 2jas s GLU 31 Cb -0.17 -1.89 -0.10 0.00 -0.44 0.00 0.00 34.13 31.53 2jas s GLU 31 CO 0.06 -1.41 1.67 -2.14 0.95 0.00 0.00 175.26 174.39 2jas s PRO 32 N -3.37 4.17 0.06 -4.83 0.02 -1.26 -4.86 135.00 124.94 2jas s PRO 32 Ca 0.80 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.29 2jas s PRO 32 Cb -0.34 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 30.91 2jas s PRO 32 CO 0.37 -0.71 0.00 0.28 -0.33 0.00 0.00 177.00 176.61 2jas n VAL 33 N 4.22 0.26 0.15 3.83 0.31 -1.26 -4.48 118.33 121.35 2jas n VAL 33 Ca 0.15 0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2jas n VAL 33 Cb 0.38 -1.14 0.21 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.00 0.00 5.55 5.08 -2.02 -3.17 114.58 120.01 2jas h GLU 34 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jas h GLU 34 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jas h GLU 34 CO 0.00 0.56 -0.47 0.39 -1.00 0.00 0.00 179.01 178.49 2jas n GLU 35 N -3.85 0.26 -2.14 2.33 1.02 -1.26 -4.83 120.64 112.17 2jas n GLU 35 Ca -0.01 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 2jas n GLU 35 Cb 0.57 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 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 -4.17 6.46 0.20 1.62 2.47 -1.20 -4.90 114.94 115.42 2jas s ASN 36 Ca 0.08 1.66 0.24 0.00 0.42 0.00 0.00 52.86 55.26 2jas s ASN 36 Cb 0.14 -2.53 0.91 0.00 -1.45 0.00 0.00 41.25 38.31 2jas s ASN 36 CO 0.69 -1.19 1.72 -0.81 -3.72 0.00 0.00 177.10 173.79 2jas n PRO 37 N 7.53 0.18 -0.10 0.43 -0.04 -1.26 -3.30 135.00 138.44 2jas n PRO 37 Ca 0.18 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2jas n PRO 37 Cb 0.45 -1.79 0.21 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.11 0.26 0.19 0.54 4.02 -1.26 -4.71 117.16 114.08 2jas n TYR 38 Ca 0.04 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.65 2jas n TYR 38 Cb 0.29 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.52 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 4.19 -0.40 -0.44 -0.72 3.57 -1.89 0.25 116.94 121.50 2jas h PHE 39 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2jas h PHE 39 Cb 0.91 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2jas h PHE 39 CO 0.13 -0.17 0.13 1.49 -2.23 0.00 0.00 178.31 177.66 2jas h GLU 40 N -0.57 0.69 -0.21 1.11 4.81 -1.87 -3.12 114.58 115.43 2jas h GLU 40 Ca -0.04 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2jas h GLU 40 Cb 0.42 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2jas h GLU 40 CO 0.07 0.67 -0.13 1.96 -0.73 0.00 0.00 179.01 180.86 2jas h GLN 41 N 0.57 -0.11 -0.81 1.92 4.20 -1.81 -2.59 115.11 116.47 2jas h GLN 41 Ca 0.14 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.05 2jas h GLN 41 Cb 0.28 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.97 2jas h GLN 41 CO -0.00 -0.07 0.26 -0.92 -0.67 0.00 0.00 178.83 177.42 2jas h TYR 42 N -0.12 0.41 0.00 2.96 3.20 -0.44 -0.97 116.97 122.00 2jas h TYR 42 Ca 0.12 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2jas h TYR 42 Cb 0.29 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2jas h TYR 42 CO -0.28 -0.09 -0.33 1.88 -1.64 0.00 0.00 178.16 177.70 2jas h TYR 43 N 0.31 0.00 0.11 -3.82 -1.99 -1.50 -2.97 116.97 107.11 2jas h TYR 43 Ca 0.48 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.93 2jas h TYR 43 Cb 0.88 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.61 2jas h TYR 43 CO -0.22 0.00 -1.34 0.87 -0.00 0.00 0.00 178.16 177.47 2jas h LYS 44 N 0.00 0.24 -1.69 4.88 1.57 -0.84 -3.37 116.57 117.36 2jas h LYS 44 Ca 0.00 -0.41 -0.38 0.00 -1.87 0.00 0.00 60.65 57.98 2jas h LYS 44 Cb 0.80 0.15 -0.27 0.00 0.08 0.00 0.00 32.23 32.99 2jas h LYS 44 CO 0.00 1.15 -0.75 -3.47 -0.57 0.00 0.00 179.45 175.82 2jas n ASP 45 N -3.48 -1.90 0.07 0.86 -0.08 -0.56 -5.03 116.55 106.43 2jas n ASP 45 Ca -0.11 -2.65 -0.13 0.00 -1.51 0.00 0.00 54.79 50.39 2jas n ASP 45 Cb 1.03 0.55 -0.08 0.00 2.34 0.00 0.00 41.12 44.96 2jas n ASP 45 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2jas h LEU 46 N 5.28 -1.32 -1.00 -2.67 3.38 -1.76 -2.50 115.31 114.72 2jas h LEU 46 Ca 0.16 0.14 0.39 0.00 0.09 0.00 0.00 57.88 58.66 2jas h LEU 46 Cb 1.00 0.49 -0.18 0.00 0.09 0.00 0.00 40.66 42.07 2jas h LEU 46 CO 0.20 -0.44 0.44 0.11 0.09 0.00 0.00 178.44 178.84 2jas h LYS 47 N -0.59 0.01 0.00 1.13 1.57 -1.90 0.16 116.57 116.95 2jas h LYS 47 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jas h LYS 47 Cb 0.61 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2jas h LYS 47 CO -0.26 0.01 -0.46 0.87 -0.57 0.00 0.00 179.45 179.04 2jas h LYS 48 N 0.01 0.00 0.00 3.15 1.57 -1.83 -3.39 116.57 116.09 2jas h LYS 48 Ca 0.80 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.53 2jas h LYS 48 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 2jas h LYS 48 CO -0.80 0.02 -1.50 2.41 -0.57 0.00 0.00 179.45 179.01 2jas n THR 49 N -2.93 0.17 -0.31 -0.16 -1.04 0.38 -4.76 114.28 105.64 2jas n THR 49 Ca 0.02 -0.27 0.07 0.00 -2.04 0.00 0.00 64.05 61.83 2jas n THR 49 Cb 0.55 -0.01 0.18 0.00 -1.82 0.00 0.00 70.33 69.23 2jas n THR 49 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jas h VAL 50 N 0.00 0.15 -0.09 12.58 2.07 -1.27 0.75 116.25 130.45 2jas h VAL 50 Ca -0.07 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2jas h VAL 50 Cb 0.76 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2jas h VAL 50 CO 0.00 0.01 -0.04 -0.26 0.02 0.00 0.00 177.57 177.30 2jas h PHE 51 N 0.03 0.22 -0.18 1.57 -1.00 -1.87 -1.51 116.94 114.20 2jas h PHE 51 Ca 0.47 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 61.25 2jas h PHE 51 Cb 0.83 -0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.29 2jas h PHE 51 CO -0.56 0.54 -0.14 0.87 -1.61 0.00 0.00 178.31 177.41 2jas h LYS 52 N -0.17 -0.14 0.18 1.51 1.57 -1.53 -1.40 116.57 116.60 2jas h LYS 52 Ca 0.02 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2jas h LYS 52 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2jas h LYS 52 CO 0.01 -0.09 -0.39 1.98 -0.57 0.00 0.00 179.45 180.39 2jas h MET 53 N -0.14 -0.64 -0.53 3.15 4.05 -0.92 -2.31 114.93 117.58 2jas h MET 53 Ca 0.11 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.67 2jas h MET 53 Cb 0.31 0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 2jas h MET 53 CO -0.27 -0.43 0.11 0.37 0.23 0.00 0.00 176.91 176.91 2jas h GLN 54 N -0.67 0.23 -0.83 0.39 5.75 -1.08 -0.23 115.11 118.68 2jas h GLN 54 Ca 0.01 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2jas h GLN 54 Cb 0.67 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2jas h GLN 54 CO -0.19 0.15 0.39 0.82 -2.65 0.00 0.00 178.83 177.35 2jas h ILE 55 N 0.24 1.26 0.10 2.39 2.04 -1.15 -0.61 117.51 121.78 2jas h ILE 55 Ca 0.27 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2jas h ILE 55 Cb 0.37 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2jas h ILE 55 CO -0.35 0.31 -0.05 0.22 0.00 0.00 0.00 178.15 178.28 2jas h TYR 56 N 1.18 -0.13 -0.64 1.37 3.20 -0.74 -2.12 116.97 119.09 2jas h TYR 56 Ca 0.28 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 2jas h TYR 56 Cb 0.13 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 2jas h TYR 56 CO 0.01 -0.06 0.22 0.52 -1.64 0.00 0.00 178.16 177.21 2jas h MET 57 N -0.16 0.96 -0.29 1.82 2.86 -0.91 -2.22 114.93 116.99 2jas h MET 57 Ca -0.01 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 2jas h MET 57 Cb 0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2jas h MET 57 CO 0.02 0.82 -0.15 -0.07 1.06 0.00 0.00 176.91 178.59 2jas h LEU 58 N 0.94 0.48 -0.44 1.22 3.38 -1.01 -1.76 115.31 118.12 2jas h LEU 58 Ca 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jas h LEU 58 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jas h LEU 58 CO -0.01 0.65 0.16 0.74 0.09 0.00 0.00 178.44 180.07 2jas h THR 59 N 0.45 1.21 -0.67 0.22 2.02 -1.03 -2.63 112.91 112.48 2jas h THR 59 Ca 0.08 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 2jas h THR 59 Cb 0.52 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 2jas h THR 59 CO 0.03 0.25 0.25 0.00 0.37 0.00 0.00 175.52 176.42 2jas h ALA 60 N 1.00 0.88 0.02 6.16 0.00 -0.96 -2.15 119.26 124.22 2jas h ALA 60 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jas h ALA 60 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jas h ALA 60 CO -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 2jas h ARG 61 N 0.96 -0.21 -1.00 0.00 2.47 -1.32 -1.60 114.38 113.68 2jas h ARG 61 Ca 0.22 0.01 0.21 0.00 -1.26 0.00 0.00 59.98 59.16 2jas h ARG 61 Cb 0.24 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.51 2jas h ARG 61 CO -0.01 -0.14 0.62 1.03 0.56 0.00 0.00 179.97 182.02 2jas h SER 62 N -0.22 0.68 -0.07 7.04 0.87 -1.23 -1.48 113.55 119.14 2jas h SER 62 Ca 0.04 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2jas h SER 62 Cb 0.26 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jas h SER 62 CO -0.10 0.22 -0.12 0.11 -0.53 0.00 0.00 176.83 176.41 2jas h LYS 63 N 0.65 0.21 -0.92 2.24 1.57 -0.95 -3.13 116.57 116.24 2jas h LYS 63 Ca 0.58 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.31 2jas h LYS 63 Cb 1.05 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 2jas h LYS 63 CO -0.36 0.69 0.57 1.96 -0.57 0.00 0.00 179.45 181.74 2jas h GLN 64 N -0.26 0.95 -0.98 3.15 4.20 -0.70 -1.27 115.11 120.21 2jas h GLN 64 Ca 0.01 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.71 2jas h GLN 64 Cb 0.68 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 2jas h GLN 64 CO 0.03 0.63 0.63 1.25 -0.67 0.00 0.00 178.83 180.70 2jas h LEU 65 N 0.98 1.02 -0.75 1.46 5.85 -1.33 -0.90 115.31 121.64 2jas h LEU 65 Ca 0.42 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.24 2jas h LEU 65 Cb 0.28 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2jas h LEU 65 CO -0.21 0.67 0.40 0.11 -0.34 0.00 0.00 178.44 179.07 2jas h LYS 66 N 1.17 0.64 0.17 1.25 1.57 -1.17 -2.78 116.57 117.42 2jas h LYS 66 Ca 0.41 -0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.81 2jas h LYS 66 Cb 0.11 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.28 2jas h LYS 66 CO -0.16 0.42 -1.73 -0.56 -0.57 0.00 0.00 179.45 176.86 2jas h GLN 67 N 0.66 0.37 -0.67 3.15 3.07 -1.46 -3.40 115.11 116.84 2jas h GLN 67 Ca 0.37 -0.63 -0.08 0.00 0.09 0.00 0.00 58.65 58.40 2jas h GLN 67 Cb 0.38 0.23 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 2jas h GLN 67 CO -0.27 1.28 0.11 0.00 0.09 0.00 0.00 178.83 180.04 2jas h ALA 68 N 0.18 0.88 0.00 0.06 0.00 -1.05 -3.22 119.26 116.11 2jas h ALA 68 Ca -0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jas h ALA 68 Cb 2.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2jas h ALA 68 CO 0.17 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.71 2jas n LYS 69 N -4.22 0.87 -1.56 0.00 5.02 -1.06 -1.63 118.16 115.57 2jas n LYS 69 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 2jas n LYS 69 Cb 0.29 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 34.00 2jas n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jas n ASN 70 N 0.17 1.30 -3.94 4.39 4.13 -1.22 -5.08 115.26 115.01 2jas n ASN 70 Ca 0.00 -2.34 -0.18 0.00 1.68 0.00 0.00 54.58 53.74 2jas n ASN 70 Cb 0.26 -0.36 -0.15 0.00 -1.54 0.00 0.00 39.78 37.99 2jas n ASN 70 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jas s LEU 71 N -1.11 1.74 -0.11 3.41 1.43 -0.65 -5.06 118.68 118.33 2jas s LEU 71 Ca 0.34 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 2jas s LEU 71 Cb 0.38 -0.37 -0.27 0.00 0.03 0.00 0.00 46.19 45.96 2jas s LEU 71 CO -0.13 0.03 0.67 -0.33 0.23 0.00 0.00 176.35 176.81 2jas h GLU 72 N 6.46 0.18 -4.47 1.70 5.08 -1.92 -3.44 114.58 118.16 2jas h GLU 72 Ca -0.33 -0.31 -0.72 0.00 -1.00 0.00 0.00 59.36 57.01 2jas h GLU 72 Cb 1.17 0.11 -0.27 0.00 0.50 0.00 0.00 28.75 30.27 2jas h GLU 72 CO 0.49 1.15 -0.47 -0.80 -1.00 0.00 0.00 179.01 178.38 2jas s ASN 73 N -6.82 5.68 0.03 1.42 0.01 -1.26 -2.92 114.94 111.08 2jas s ASN 73 Ca -0.19 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 50.58 2jas s ASN 73 Cb 0.02 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 2jas s ASN 73 CO 0.75 -0.51 -0.04 0.27 -1.51 0.00 0.00 177.10 176.06 2jas s ILE 74 N 1.47 0.19 -0.07 0.60 -4.36 -1.16 -4.36 121.20 113.51 2jas s ILE 74 Ca 0.03 -1.03 0.04 0.00 -0.26 0.00 0.00 60.65 59.42 2jas s ILE 74 Cb -0.22 -0.45 0.00 0.00 1.25 0.00 0.00 42.46 43.04 2jas s ILE 74 CO 0.03 -0.53 -0.19 -0.63 0.24 0.00 0.00 174.94 173.86 2jas s ILE 75 N -1.70 1.63 -0.19 8.37 1.01 -0.72 -1.35 121.20 128.25 2jas s ILE 75 Ca -0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 2jas s ILE 75 Cb -0.08 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.98 2jas s ILE 75 CO -0.02 0.46 -0.16 -0.36 0.00 0.00 0.00 174.94 174.86 2jas s PHE 76 N 0.29 2.82 -0.61 3.97 0.40 0.89 -0.96 117.98 124.78 2jas s PHE 76 Ca -0.12 -1.47 -0.27 0.00 -0.60 0.00 0.00 56.93 54.47 2jas s PHE 76 Cb -0.15 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.45 2jas s PHE 76 CO 0.05 -0.74 1.13 0.34 0.70 0.00 0.00 175.22 176.70 2jas s ASP 77 N 1.32 6.34 0.29 1.36 -1.08 -1.08 -0.26 116.67 123.57 2jas s ASP 77 Ca 0.05 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 2jas s ASP 77 Cb -0.13 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2jas s ASP 77 CO -0.10 -1.49 0.00 -1.14 0.52 0.00 0.00 175.17 172.96 2jas n ARG 78 N 8.34 -1.87 -2.46 4.34 0.63 -0.39 -4.62 116.66 120.63 2jas n ARG 78 Ca 0.05 1.47 -0.16 0.00 -0.92 0.00 0.00 57.85 58.29 2jas n ARG 78 Cb 0.48 -1.91 0.07 0.00 0.45 0.00 0.00 32.46 31.55 2jas n ARG 78 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2jas n THR 79 N -2.33 0.00 1.02 5.15 -2.24 -1.26 -4.82 114.28 109.80 2jas n THR 79 Ca -0.01 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.43 2jas n THR 79 Cb 0.26 -0.72 0.37 0.00 -2.10 0.00 0.00 70.33 68.14 2jas n THR 79 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jas n LEU 80 N 0.00 0.36 -0.97 3.22 4.77 -1.26 -4.19 117.00 118.93 2jas n LEU 80 Ca 0.13 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.34 2jas n LEU 80 Cb 0.48 -0.32 0.25 0.00 -2.33 0.00 0.00 43.42 41.50 2jas n LEU 80 CO 0.31 0.09 0.71 0.18 -1.33 0.00 0.00 177.39 177.35 2jas n LEU 81 N -1.47 3.83 -0.91 2.23 4.77 -1.26 -4.53 117.00 119.66 2jas n LEU 81 Ca 0.06 -2.63 0.09 0.00 -0.03 0.00 0.00 56.01 53.51 2jas n LEU 81 Cb 0.34 -0.46 0.17 0.00 -2.33 0.00 0.00 43.42 41.13 2jas n LEU 81 CO 0.32 0.71 0.64 -0.62 -1.33 0.00 0.00 177.39 177.10 2jas n GLU 82 N 0.09 2.22 -0.09 3.23 1.02 -1.26 -4.48 120.64 121.37 2jas n GLU 82 Ca 0.19 -2.04 -0.09 0.00 -0.02 0.00 0.00 57.16 55.21 2jas n GLU 82 Cb 0.77 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 3.51 0.84 0.00 1.62 3.32 -1.89 -2.88 116.42 120.94 2jas h ASP 83 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2jas h ASP 83 Cb 0.83 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2jas h ASP 83 CO 0.00 1.07 0.08 -0.65 -1.72 0.00 0.00 179.24 178.01 2jas h PRO 84 N 0.69 0.00 -0.20 3.56 0.11 -1.96 -2.53 132.00 131.67 2jas h PRO 84 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 2jas h PRO 84 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2jas h PRO 84 CO 0.07 0.00 0.02 0.82 -0.21 0.00 0.00 178.00 178.70 2jas h ILE 85 N 0.00 1.24 0.00 4.15 2.04 -1.83 0.49 117.51 123.60 2jas h ILE 85 Ca 0.00 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2jas h ILE 85 Cb 0.16 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2jas h ILE 85 CO 0.00 0.24 -0.25 -0.26 0.00 0.00 0.00 178.15 177.88 2jas h PHE 86 N 0.12 0.00 -0.00 1.37 -1.00 -1.61 -1.05 116.94 114.78 2jas h PHE 86 Ca 0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 2jas h PHE 86 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2jas h PHE 86 CO 0.03 0.25 -0.03 1.98 -1.61 0.00 0.00 178.31 178.92 2jas h MET 87 N 0.00 0.03 -0.87 1.51 4.05 -1.38 -2.91 114.93 115.35 2jas h MET 87 Ca -0.00 -0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.61 2jas h MET 87 Cb 0.51 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 2jas h MET 87 CO 0.03 0.75 0.60 -0.22 0.23 0.00 0.00 176.91 178.30 2jas h LYS 88 N -0.69 0.25 0.08 0.39 1.63 -0.72 0.36 116.57 117.87 2jas h LYS 88 Ca -0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2jas h LYS 88 Cb 0.76 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2jas h LYS 88 CO 0.01 0.16 -0.04 0.28 -3.45 0.00 0.00 179.45 176.41 2jas h VAL 89 N 0.26 1.11 -0.47 2.00 2.07 -1.18 -1.50 116.25 118.55 2jas h VAL 89 Ca 0.44 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2jas h VAL 89 Cb 1.32 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2jas h VAL 89 CO -0.12 0.18 0.12 0.78 0.02 0.00 0.00 177.57 178.55 2jas h ASN 90 N -0.43 0.65 -0.32 0.57 2.35 -1.07 -0.86 115.58 116.47 2jas h ASN 90 Ca -0.01 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2jas h ASN 90 Cb 0.37 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2jas h ASN 90 CO 0.02 0.64 0.05 0.22 -1.65 0.00 0.00 177.43 176.71 2jas h TYR 91 N 0.68 0.09 -0.23 1.19 3.20 -0.95 0.36 116.97 121.32 2jas h TYR 91 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2jas h TYR 91 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2jas h TYR 91 CO 0.01 0.01 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.00 2jas h ASP 92 N 0.16 0.34 -0.48 -2.11 3.32 -0.26 -2.66 116.42 114.74 2jas h ASP 92 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jas h ASP 92 Cb 0.17 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jas h ASP 92 CO -0.20 0.48 0.00 0.18 -1.72 0.00 0.00 179.24 177.98 2jas n LEU 93 N -4.26 2.56 -2.77 1.55 4.77 -0.43 -4.95 117.00 113.49 2jas n LEU 93 Ca 0.00 -1.28 -0.20 0.00 -0.03 0.00 0.00 56.01 54.50 2jas n LEU 93 Cb 0.28 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2jas n LEU 93 CO 0.39 0.64 0.01 0.59 -1.33 0.00 0.00 177.39 177.69 2jas n ASN 94 N 0.90 -5.72 0.01 -1.43 3.02 -0.60 -4.87 115.26 106.56 2jas n ASN 94 Ca 0.16 -0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.55 2jas n ASN 94 Cb 0.40 -4.54 0.05 0.00 -0.61 0.00 0.00 39.78 35.08 2jas n ASN 94 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jas n ASN 95 N -2.12 0.66 -3.72 6.41 3.02 0.02 -4.87 115.26 114.66 2jas n ASN 95 Ca -0.10 -0.41 -0.17 0.00 -0.03 0.00 0.00 54.58 53.88 2jas n ASN 95 Cb 0.61 0.72 -0.17 0.00 -0.61 0.00 0.00 39.78 40.33 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 -3.10 -0.09 0.80 2.41 1.01 -1.19 -4.66 120.40 115.58 2jas s VAL 96 Ca 0.06 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2jas s VAL 96 Cb 0.16 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.54 2jas s VAL 96 CO 0.79 0.13 1.11 1.51 0.00 0.00 0.00 175.10 178.65 2jas s ASP 97 N 1.60 4.01 0.22 3.32 1.47 -1.26 -4.34 116.67 121.69 2jas s ASP 97 Ca -0.03 0.04 -0.09 0.00 1.18 0.00 0.00 52.55 53.66 2jas s ASP 97 Cb -0.12 -0.36 0.32 0.00 -0.34 0.00 0.00 42.92 42.41 2jas s ASP 97 CO -0.03 -2.11 1.72 -0.61 0.68 0.00 0.00 175.17 174.82 2jas h GLN 98 N -0.94 0.34 -0.14 2.11 -0.00 -1.99 -1.71 115.11 112.79 2jas h GLN 98 Ca -0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2jas h GLN 98 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 2jas h GLN 98 CO 0.44 0.23 0.09 1.15 0.00 0.00 0.00 178.83 180.74 2jas h THR 99 N 0.35 1.05 -0.29 2.39 2.02 -1.99 0.69 112.91 117.13 2jas h THR 99 Ca 0.33 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.43 2jas h THR 99 Cb 0.46 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2jas h THR 99 CO -0.36 0.04 0.15 0.44 0.37 0.00 0.00 175.52 176.15 2jas h ASP 100 N 0.18 0.22 -0.06 4.18 3.32 -1.83 0.66 116.42 123.09 2jas h ASP 100 Ca 0.05 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2jas h ASP 100 Cb -0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2jas h ASP 100 CO -0.01 0.17 -0.10 0.22 -1.72 0.00 0.00 179.24 177.79 2jas h TYR 101 N 0.31 0.36 -0.19 4.55 3.20 -0.98 0.21 116.97 124.42 2jas h TYR 101 Ca 0.12 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 2jas h TYR 101 Cb 0.03 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2jas h TYR 101 CO -0.09 0.44 -0.62 -0.97 -1.64 0.00 0.00 178.16 175.28 2jas h ASN 102 N 0.32 0.76 -0.36 -2.11 -0.73 -0.46 -1.77 115.58 111.24 2jas h ASN 102 Ca 0.07 -0.44 -0.08 0.00 1.87 0.00 0.00 56.30 57.71 2jas h ASN 102 Cb 0.39 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2jas h ASN 102 CO 0.02 1.20 -0.11 0.74 -0.37 0.00 0.00 177.43 178.91 2jas h THR 103 N 0.50 1.28 -0.02 -3.57 2.02 -0.16 -1.30 112.91 111.65 2jas h THR 103 Ca -0.01 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 2jas h THR 103 Cb 1.20 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2jas h THR 103 CO 0.12 0.39 0.01 0.22 0.37 0.00 0.00 175.52 176.63 2jas h TYR 104 N 0.49 0.03 -0.05 3.16 3.20 -0.62 0.40 116.97 123.58 2jas h TYR 104 Ca 0.09 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 2jas h TYR 104 Cb 0.63 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2jas h TYR 104 CO 0.05 0.15 -0.31 0.82 -1.64 0.00 0.00 178.16 177.23 2jas h ILE 105 N -0.09 1.24 -0.21 1.81 2.04 -1.33 0.79 117.51 121.75 2jas h ILE 105 Ca 0.01 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 2jas h ILE 105 Cb 0.13 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2jas h ILE 105 CO -0.00 0.34 -0.42 -0.78 0.00 0.00 0.00 178.15 177.29 2jas h ASP 106 N 0.08 0.54 -0.10 1.72 3.58 -1.05 -2.41 116.42 118.78 2jas h ASP 106 Ca 0.01 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.11 2jas h ASP 106 Cb 0.60 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2jas h ASP 106 CO 0.04 0.90 -0.34 0.15 -2.88 0.00 0.00 179.24 177.11 2jas h PHE 107 N 0.42 0.53 -0.66 0.28 3.57 0.10 -2.92 116.94 118.26 2jas h PHE 107 Ca 0.03 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 2jas h PHE 107 Cb 0.91 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 2jas h PHE 107 CO 0.03 0.95 0.26 -0.92 -2.23 0.00 0.00 178.31 176.41 2jas h TYR 108 N -0.04 1.00 0.00 0.41 3.20 0.55 0.10 116.97 122.20 2jas h TYR 108 Ca -0.01 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.63 2jas h TYR 108 Cb 0.97 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2jas h TYR 108 CO 0.12 0.79 -0.76 -0.91 -1.64 0.00 0.00 178.16 175.76 2jas h ASN 109 N 0.93 0.00 0.00 -2.11 4.21 -1.54 -1.00 115.58 116.07 2jas h ASN 109 Ca 0.22 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 2jas h ASN 109 Cb 0.21 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2jas h ASN 109 CO -0.02 0.66 -1.70 0.59 -1.29 0.00 0.00 177.43 175.67 2jas n ASN 110 N -3.23 1.73 -0.04 5.81 3.02 -1.10 -4.40 115.26 117.05 2jas n ASN 110 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.47 2jas n ASN 110 Cb 0.81 1.51 -0.02 0.00 -0.61 0.00 0.00 39.78 41.47 2jas n ASN 110 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jas n VAL 111 N -2.08 1.22 0.02 2.41 0.31 0.34 -4.79 118.33 115.76 2jas n VAL 111 Ca -0.06 0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 2jas n VAL 111 Cb 0.47 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 2jas n VAL 111 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jas h VAL 112 N -0.52 1.09 0.00 2.52 2.07 -1.43 -3.15 116.25 116.83 2jas h VAL 112 Ca -0.10 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2jas h VAL 112 Cb 0.73 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2jas h VAL 112 CO -0.06 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.78 2jas n LEU 113 N -5.03 0.42 -0.23 2.57 4.77 -0.39 -2.73 117.00 116.39 2jas n LEU 113 Ca -0.07 -0.21 0.15 0.00 -0.03 0.00 0.00 56.01 55.84 2jas n LEU 113 Cb 0.08 -0.21 0.66 0.00 -2.33 0.00 0.00 43.42 41.62 2jas n LEU 113 CO 0.33 0.11 0.92 -0.62 -1.33 0.00 0.00 177.39 176.80 2jas n GLU 114 N -0.09 1.15 0.23 3.23 -0.58 -1.19 -3.46 120.64 119.92 2jas n GLU 114 Ca 0.00 -0.46 0.09 0.00 -0.42 0.00 0.00 57.16 56.37 2jas n GLU 114 Cb 0.11 -1.49 0.57 0.00 -0.57 0.00 0.00 31.44 30.06 2jas n GLU 114 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 2jas h ASN 115 N 1.11 0.00 -3.81 1.62 7.08 -1.78 -3.53 115.58 116.27 2jas h ASN 115 Ca 0.00 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.72 2jas h ASN 115 Cb 0.32 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.57 2jas h ASN 115 CO 0.00 0.20 0.46 -0.76 -2.08 0.00 0.00 177.43 175.26 2jas s LEU 116 N -7.65 4.55 0.00 6.14 1.43 -1.23 -5.19 118.68 116.74 2jas s LEU 116 Ca -0.03 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2jas s LEU 116 Cb 0.13 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2jas s LEU 116 CO 0.64 -0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.55 2jas n SER 124 N 1.18 0.00 -4.90 2.29 3.41 -1.26 -5.21 113.62 109.12 2jas n SER 124 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.39 2jas n SER 124 Cb 0.45 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 2jas n SER 124 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jas s PHE 125 N -0.65 2.41 -0.13 7.33 0.40 -1.26 -4.95 117.98 121.14 2jas s PHE 125 Ca 0.00 -0.17 0.19 0.00 -0.60 0.00 0.00 56.93 56.35 2jas s PHE 125 Cb 0.00 -2.75 -0.24 0.00 0.51 0.00 0.00 43.02 40.54 2jas s PHE 125 CO 0.00 -1.08 0.42 -0.25 0.70 0.00 0.00 175.22 175.01 2jas n ASP 126 N -2.43 0.25 -3.64 1.36 8.00 0.18 -4.85 116.55 115.43 2jas n ASP 126 Ca 0.10 0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.64 2jas n ASP 126 Cb 0.60 1.06 -0.07 0.00 -0.02 0.00 0.00 41.12 42.69 2jas n ASP 126 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jas s ILE 127 N -2.94 0.00 -0.38 0.53 2.07 -1.23 -4.85 121.20 114.41 2jas s ILE 127 Ca -0.07 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 2jas s ILE 127 Cb 0.09 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.79 2jas s ILE 127 CO 0.85 0.00 0.14 -0.69 -1.91 0.00 0.00 174.94 173.33 2jas s VAL 128 N 1.21 2.96 -0.05 4.00 1.01 0.10 -2.10 120.40 127.53 2jas s VAL 128 Ca -0.07 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.52 2jas s VAL 128 Cb -0.05 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2jas s VAL 128 CO -0.14 -0.62 1.38 -0.63 0.00 0.00 0.00 175.10 175.09 2jas s ILE 129 N 1.08 3.90 -0.36 2.22 1.01 -0.14 -0.74 121.20 128.17 2jas s ILE 129 Ca 0.08 1.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 2jas s ILE 129 Cb -0.21 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2jas s ILE 129 CO -0.05 -0.04 0.19 -0.47 0.00 0.00 0.00 174.94 174.56 2jas s TYR 130 N 2.87 3.23 -1.18 3.97 5.04 0.15 0.44 117.35 131.87 2jas s TYR 130 Ca 0.62 -0.92 -0.18 0.00 -2.44 0.00 0.00 57.07 54.16 2jas s TYR 130 Cb -0.28 -2.41 0.11 0.00 0.35 0.00 0.00 41.96 39.72 2jas s TYR 130 CO 0.24 -0.61 1.53 -0.51 -1.34 0.00 0.00 175.55 174.85 2jas s LEU 131 N 1.55 4.31 -0.01 6.97 1.43 -0.18 -1.28 118.68 131.46 2jas s LEU 131 Ca 0.02 -2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 50.41 2jas s LEU 131 Cb -0.19 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2jas s LEU 131 CO 0.06 -1.08 1.39 -0.60 0.23 0.00 0.00 176.35 176.35 2jas s ARG 132 N 3.34 4.28 -0.00 1.70 3.52 -0.63 -4.69 118.95 126.47 2jas s ARG 132 Ca 0.47 1.94 -0.15 0.00 -0.13 0.00 0.00 55.73 57.86 2jas s ARG 132 Cb 0.00 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2jas s ARG 132 CO 0.01 -0.57 0.32 0.54 -0.81 0.00 0.00 175.30 174.78 2jas s VAL 133 N 2.45 0.06 0.62 7.11 0.11 -1.26 -0.70 120.40 128.79 2jas s VAL 133 Ca 0.63 -0.51 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2jas s VAL 133 Cb -0.31 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2jas s VAL 133 CO 0.26 -0.28 1.04 -0.94 -3.33 0.00 0.00 175.10 171.85 2jas s SER 134 N -1.50 5.86 0.16 3.54 1.04 -1.26 -4.95 113.70 116.60 2jas s SER 134 Ca -0.12 1.62 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 2jas s SER 134 Cb -0.04 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.66 2jas s SER 134 CO 0.03 -1.11 1.70 0.74 0.98 0.00 0.00 173.24 175.57 2jas h THR 135 N -0.07 0.72 -0.89 2.02 2.02 -1.97 -2.77 112.91 111.97 2jas h THR 135 Ca -0.45 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2jas h THR 135 Cb 1.20 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2jas h THR 135 CO 0.59 0.02 0.59 0.11 0.37 0.00 0.00 175.52 177.19 2jas h LYS 136 N 0.09 1.15 -0.09 6.66 1.79 -1.99 0.22 116.57 124.41 2jas h LYS 136 Ca 0.18 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2jas h LYS 136 Cb 0.25 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2jas h LYS 136 CO -0.30 0.76 -0.13 1.15 -1.08 0.00 0.00 179.45 179.85 2jas h THR 137 N 1.19 1.38 -0.51 -0.16 2.02 -1.92 -2.06 112.91 112.84 2jas h THR 137 Ca 0.33 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 66.21 2jas h THR 137 Cb -0.11 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 2jas h THR 137 CO -0.08 0.38 0.25 0.00 0.37 0.00 0.00 175.52 176.44 2jas h ALA 138 N 0.54 0.66 -0.95 6.16 0.00 -1.21 -0.40 119.26 124.06 2jas h ALA 138 Ca 0.01 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2jas h ALA 138 Cb 0.68 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2jas h ALA 138 CO 0.03 -0.11 0.56 0.82 0.00 0.00 0.00 179.25 180.56 2jas h ILE 139 N 0.48 0.83 -0.02 0.00 2.04 -0.92 -0.27 117.51 119.66 2jas h ILE 139 Ca 0.23 -0.29 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 2jas h ILE 139 Cb 0.16 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2jas h ILE 139 CO -0.17 0.15 -0.71 0.77 0.00 0.00 0.00 178.15 178.19 2jas h SER 140 N 0.84 0.12 0.80 1.72 4.64 -0.59 -2.61 113.55 118.47 2jas h SER 140 Ca 0.49 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 2jas h SER 140 Cb 0.59 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2jas h SER 140 CO -0.31 0.78 -0.54 0.03 -0.87 0.00 0.00 176.83 175.93 2jas h ARG 141 N 0.07 0.00 -0.57 4.77 3.08 -0.22 -2.54 114.38 118.96 2jas h ARG 141 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2jas h ARG 141 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 2jas h ARG 141 CO 0.10 0.54 0.30 0.82 -1.07 0.00 0.00 179.97 180.66 2jas h ILE 142 N 0.00 1.20 -0.59 2.04 2.04 -0.98 0.70 117.51 121.91 2jas h ILE 142 Ca -0.01 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2jas h ILE 142 Cb 1.08 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2jas h ILE 142 CO 0.07 0.22 0.39 0.11 0.00 0.00 0.00 178.15 178.94 2jas h LYS 143 N 0.78 0.68 0.00 2.37 1.57 -1.07 -2.76 116.57 118.14 2jas h LYS 143 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2jas h LYS 143 Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2jas h LYS 143 CO -0.03 0.45 -1.05 0.36 -0.57 0.00 0.00 179.45 178.61 2jas n LYS 144 N -4.46 1.64 0.00 3.15 2.85 -1.04 -4.80 118.16 115.50 2jas n LYS 144 Ca 0.07 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2jas n LYS 144 Cb 0.13 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 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 -1.59 2.39 -1.14 -1.58 1.74 0.21 -5.10 116.66 111.58 2jas n ARG 145 Ca -0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2jas n ARG 145 Cb 0.20 -0.77 0.02 0.00 -1.02 0.00 0.00 32.46 30.88 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 1.51 1.33 3.79 -0.13 0.00 -1.01 -4.99 105.19 105.69 2jas n GLY 146 Ca 0.00 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.66 4.32 0.52 1.61 1.81 -1.26 -4.91 118.95 118.39 2jas s ARG 147 Ca 0.11 0.86 0.17 0.00 -1.72 0.00 0.00 55.73 55.15 2jas s ARG 147 Cb -0.01 -3.26 1.31 0.00 -0.45 0.00 0.00 34.95 32.54 2jas s ARG 147 CO 0.07 0.57 2.16 0.66 -0.68 0.00 0.00 175.30 178.08 2jas h SER 148 N 4.68 0.00 -0.65 0.23 4.64 -1.98 -0.63 113.55 119.83 2jas h SER 148 Ca -0.48 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2jas h SER 148 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 2jas h SER 148 CO 0.65 0.00 0.34 -0.33 -0.87 0.00 0.00 176.83 176.63 2jas h GLU 149 N 0.00 0.61 0.00 4.77 3.07 -1.95 -2.04 114.58 119.04 2jas h GLU 149 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2jas h GLU 149 Cb 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2jas h GLU 149 CO 0.00 0.41 0.18 0.93 -1.40 0.00 0.00 179.01 179.13 2jas h GLU 150 N 0.63 0.00 0.00 2.33 5.08 -1.48 -1.63 114.58 119.51 2jas h GLU 150 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jas h GLU 150 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jas h GLU 150 CO -0.20 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 2jas n LEU 151 N -2.61 0.00 -0.04 1.33 4.77 -0.76 -4.21 117.00 115.48 2jas n LEU 151 Ca -0.02 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 2jas n LEU 151 Cb 0.22 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2jas n LEU 151 CO 0.12 -0.01 -0.69 0.18 -1.33 0.00 0.00 177.39 175.67 2jas n LEU 152 N -1.06 0.60 -4.93 2.23 4.77 -0.61 -4.92 117.00 113.08 2jas n LEU 152 Ca 0.20 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2jas n LEU 152 Cb 0.12 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2jas n LEU 152 CO 0.17 0.39 0.33 0.27 -1.33 0.00 0.00 177.39 177.22 2jas s ILE 153 N -2.61 4.58 0.95 -0.08 -0.00 -1.26 -4.96 121.20 117.82 2jas s ILE 153 Ca -0.06 -0.21 -0.14 0.00 -0.00 0.00 0.00 60.65 60.24 2jas s ILE 153 Cb 0.08 -3.71 0.16 0.00 -0.00 0.00 0.00 42.46 38.99 2jas s ILE 153 CO 0.83 -0.58 1.15 -0.83 -0.00 0.00 0.00 174.94 175.51 2jas s GLY 154 N -4.14 1.60 0.31 6.27 0.00 -1.26 -4.96 107.32 105.14 2jas s GLY 154 Ca 0.46 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.54 2jas s GLY 154 CO 0.40 -0.03 1.94 0.83 0.00 0.00 0.00 173.10 176.24 2jas h GLU 155 N -1.65 0.96 -1.04 2.90 4.39 -2.00 -2.83 114.58 115.32 2jas h GLU 155 Ca -0.49 -0.06 0.28 0.00 0.34 0.00 0.00 59.36 59.43 2jas h GLU 155 Cb 1.32 -0.22 -0.12 0.00 -0.10 0.00 0.00 28.75 29.63 2jas h GLU 155 CO 0.56 0.64 0.64 0.93 -1.16 0.00 0.00 179.01 180.61 2jas h GLU 156 N 0.99 0.43 -0.07 2.33 3.07 -1.99 0.15 114.58 119.48 2jas h GLU 156 Ca 0.35 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2jas h GLU 156 Cb 0.13 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2jas h GLU 156 CO -0.12 0.28 0.03 -0.92 -1.40 0.00 0.00 179.01 176.89 2jas h TYR 157 N 0.44 0.11 -0.43 4.33 3.20 -1.87 -0.88 116.97 121.87 2jas h TYR 157 Ca 0.65 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.42 2jas h TYR 157 Cb 1.50 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2jas h TYR 157 CO -0.01 0.20 -0.11 -1.49 -1.64 0.00 0.00 178.16 175.11 2jas h TRP 158 N -0.02 0.93 -0.18 -3.82 -0.00 -0.92 -0.63 115.95 111.31 2jas h TRP 158 Ca 0.02 -0.20 0.04 0.00 -0.00 0.00 0.00 58.89 58.76 2jas h TRP 158 Cb 0.13 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 29.02 2jas h TRP 158 CO -0.03 0.95 -0.11 0.93 -0.00 0.00 0.00 178.44 180.18 2jas h GLU 159 N 0.65 -0.09 0.00 0.49 5.08 -1.05 -0.29 114.58 119.36 2jas h GLU 159 Ca 0.11 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2jas h GLU 159 Cb 0.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jas h GLU 159 CO 0.04 -0.06 -0.24 1.15 -1.00 0.00 0.00 179.01 178.90 2jas h THR 160 N -0.10 1.11 -0.01 1.13 2.02 -0.94 -0.92 112.91 115.20 2jas h THR 160 Ca 0.10 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2jas h THR 160 Cb 0.25 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2jas h THR 160 CO -0.24 0.24 -0.04 0.25 0.37 0.00 0.00 175.52 176.10 2jas h LEU 161 N 0.00 0.05 -0.19 2.58 5.85 -0.62 -2.63 115.31 120.34 2jas h LEU 161 Ca -0.00 -0.66 0.03 0.00 0.84 0.00 0.00 57.88 58.09 2jas h LEU 161 Cb 0.44 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2jas h LEU 161 CO 0.03 0.70 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.69 2jas h ASN 162 N -0.61 -0.12 -0.26 1.25 -1.24 -0.81 0.29 115.58 114.08 2jas h ASN 162 Ca -0.00 0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.12 2jas h ASN 162 Cb 0.70 0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.77 2jas h ASN 162 CO 0.01 -0.03 -0.38 0.50 -1.29 0.00 0.00 177.43 176.24 2jas h LYS 163 N 0.04 -0.36 0.00 6.67 3.64 -1.23 -1.00 116.57 124.33 2jas h LYS 163 Ca 0.09 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2jas h LYS 163 Cb 0.13 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jas h LYS 163 CO -0.17 -0.24 -0.15 -0.91 -2.27 0.00 0.00 179.45 175.71 2jas h ASN 164 N -0.37 0.00 -0.23 4.20 2.35 -1.14 -1.35 115.58 119.04 2jas h ASN 164 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2jas h ASN 164 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2jas h ASN 164 CO -0.46 0.15 -0.10 1.88 -1.65 0.00 0.00 177.43 177.25 2jas h TYR 165 N 0.00 0.53 -0.43 1.19 -1.99 0.33 0.01 116.97 116.62 2jas h TYR 165 Ca -0.00 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 2jas h TYR 165 Cb 0.29 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 2jas h TYR 165 CO 0.00 0.73 0.19 1.49 -0.00 0.00 0.00 178.16 180.57 2jas h GLU 166 N 0.18 0.62 -0.49 4.88 4.57 -1.13 -1.31 114.58 121.90 2jas h GLU 166 Ca 0.05 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 2jas h GLU 166 Cb 0.59 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 2jas h GLU 166 CO 0.03 0.56 0.01 1.49 -1.18 0.00 0.00 179.01 179.92 2jas h GLU 167 N 0.55 0.12 -0.75 1.92 4.57 -1.18 0.18 114.58 119.99 2jas h GLU 167 Ca 0.14 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2jas h GLU 167 Cb 0.15 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2jas h GLU 167 CO -0.02 0.08 0.49 0.35 -1.18 0.00 0.00 179.01 178.73 2jas h PHE 168 N 0.12 0.92 -0.60 0.92 3.57 -0.67 -1.14 116.94 120.06 2jas h PHE 168 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 2jas h PHE 168 Cb 0.37 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2jas h PHE 168 CO -0.30 0.56 -0.00 -0.92 -2.23 0.00 0.00 178.31 175.41 2jas h TYR 169 N 0.98 1.16 -0.31 0.41 3.20 -0.25 0.49 116.97 122.64 2jas h TYR 169 Ca 0.29 -0.20 -0.18 0.00 3.14 0.00 0.00 58.73 61.78 2jas h TYR 169 Cb -0.06 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 2jas h TYR 169 CO -0.03 1.02 -0.50 0.87 -1.64 0.00 0.00 178.16 177.88 2jas h LYS 170 N 0.96 0.88 0.08 1.82 1.57 -0.34 -3.24 116.57 118.30 2jas h LYS 170 Ca 0.17 -0.53 -0.26 0.00 -1.87 0.00 0.00 60.65 58.16 2jas h LYS 170 Cb 0.56 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2jas h LYS 170 CO 0.03 1.17 -1.11 1.96 -0.57 0.00 0.00 179.45 180.93 2jas h GLN 171 N 0.69 0.37 -7.01 3.15 4.20 -1.23 -3.48 115.11 111.79 2jas h GLN 171 Ca 0.03 -0.50 -0.55 0.00 0.06 0.00 0.00 58.65 57.69 2jas h GLN 171 Cb 1.10 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 2jas h GLN 171 CO 0.11 1.19 -0.92 -1.71 -0.67 0.00 0.00 178.83 176.83 2jas n ASN 172 N -3.66 -3.25 0.21 1.46 5.15 0.16 -4.82 115.26 110.51 2jas n ASN 172 Ca -0.08 -1.19 0.15 0.00 -0.60 0.00 0.00 54.58 52.86 2jas n ASN 172 Cb 0.94 -1.43 0.62 0.00 -0.53 0.00 0.00 39.78 39.38 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 -2.08 0.00 -0.02 3.44 2.07 -1.93 -1.94 116.25 115.80 2jas h VAL 173 Ca -0.65 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2jas h VAL 173 Cb 1.27 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2jas h VAL 173 CO 0.49 0.00 -0.37 -1.22 0.02 0.00 0.00 177.57 176.49 2jas n TYR 174 N -2.64 0.00 -3.02 1.57 4.02 -1.26 -5.01 117.16 110.82 2jas n TYR 174 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 2jas n TYR 174 Cb 0.24 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.30 -3.61 -4.72 7.72 2.03 -0.73 -4.99 116.55 112.54 2jas n ASP 175 Ca 0.10 -0.52 -0.42 0.00 0.52 0.00 0.00 54.79 54.48 2jas n ASP 175 Cb 0.50 -4.18 -0.03 0.00 -0.72 0.00 0.00 41.12 36.69 2jas n ASP 175 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2jas s PHE 176 N -3.29 3.38 -0.86 -0.67 2.99 -1.26 -4.92 117.98 113.34 2jas s PHE 176 Ca 0.16 1.27 -0.25 0.00 0.00 0.00 0.00 56.93 58.10 2jas s PHE 176 Cb -0.02 -3.49 -0.20 0.00 0.00 0.00 0.00 43.02 39.31 2jas s PHE 176 CO 0.58 -1.53 1.92 -0.35 -0.00 0.00 0.00 175.22 175.84 2jas n PRO 177 N 3.31 0.89 -2.23 0.24 -0.04 -1.26 -4.92 135.00 130.99 2jas n PRO 177 Ca 0.08 -1.88 -0.35 0.00 -0.04 0.00 0.00 63.50 61.31 2jas n PRO 177 Cb 0.45 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 2jas n PRO 177 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jas s PHE 178 N 10.86 2.65 -0.04 0.54 0.40 -1.26 -0.72 117.98 130.40 2jas s PHE 178 Ca 0.70 1.54 -0.01 0.00 -0.60 0.00 0.00 56.93 58.56 2jas s PHE 178 Cb 0.04 -3.32 0.03 0.00 0.51 0.00 0.00 43.02 40.28 2jas s PHE 178 CO 0.19 -1.66 0.02 0.12 0.70 0.00 0.00 175.22 174.59 2jas s PHE 179 N -1.73 0.28 -0.15 0.36 5.36 0.08 -4.78 117.98 117.39 2jas s PHE 179 Ca 0.73 0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.63 2jas s PHE 179 Cb -0.25 -0.50 -0.05 0.00 -0.34 0.00 0.00 43.02 41.88 2jas s PHE 179 CO 0.28 -0.19 0.26 0.08 -1.46 0.00 0.00 175.22 174.20 2jas s VAL 180 N 1.60 5.32 -0.09 3.12 1.01 -1.26 0.33 120.40 130.42 2jas s VAL 180 Ca -0.02 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.47 2jas s VAL 180 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jas s VAL 180 CO -0.03 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 2jas s VAL 181 N 0.23 1.49 -0.58 2.92 1.01 -0.41 -4.94 120.40 120.12 2jas s VAL 181 Ca 0.15 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2jas s VAL 181 Cb -0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2jas s VAL 181 CO 0.04 0.44 1.76 -0.62 0.00 0.00 0.00 175.10 176.71 2jas s ASP 182 N 0.78 5.52 0.00 3.32 2.15 -1.26 -1.61 116.67 125.56 2jas s ASP 182 Ca -0.11 0.40 0.25 0.00 0.43 0.00 0.00 52.55 53.52 2jas s ASP 182 Cb -0.16 -2.53 1.34 0.00 -0.30 0.00 0.00 42.92 41.27 2jas s ASP 182 CO 0.02 -2.17 1.83 0.00 -0.17 0.00 0.00 175.17 174.68 2jas n ALA 183 N 11.81 2.31 0.21 3.66 0.00 0.12 -2.64 120.51 135.99 2jas n ALA 183 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2jas n ALA 183 Cb 0.51 -1.40 0.47 0.00 0.00 0.00 0.00 19.45 19.03 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 0.00 0.00 -7.24 0.00 4.39 -1.89 -3.44 114.58 106.40 2jas h GLU 184 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2jas h GLU 184 Cb 0.14 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 28.95 2jas h GLU 184 CO 0.00 0.28 0.31 -0.51 -1.16 0.00 0.00 179.01 177.93 2jas s LEU 185 N -7.76 3.08 0.52 1.33 1.43 -1.08 -5.01 118.68 111.18 2jas s LEU 185 Ca -0.02 2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 55.06 2jas s LEU 185 Cb 0.14 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 2jas s LEU 185 CO 0.68 -2.53 1.03 1.51 0.23 0.00 0.00 176.35 177.26 2jas s ASP 186 N -2.57 6.24 0.30 2.29 -4.77 -1.26 -4.84 116.67 112.06 2jas s ASP 186 Ca 0.68 1.84 0.05 0.00 -3.30 0.00 0.00 52.55 51.82 2jas s ASP 186 Cb -0.24 -2.54 0.78 0.00 -1.09 0.00 0.00 42.92 39.82 2jas s ASP 186 CO 0.52 -0.85 1.67 0.58 0.70 0.00 0.00 175.17 177.79 2jas h VAL 187 N 1.16 0.37 -0.56 2.11 2.07 -1.95 -1.40 116.25 118.06 2jas h VAL 187 Ca -0.48 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.05 2jas h VAL 187 Cb 1.21 0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 2jas h VAL 187 CO 0.59 0.05 -0.14 0.11 0.02 0.00 0.00 177.57 178.21 2jas h LYS 188 N 0.29 0.00 -0.40 1.57 1.57 -2.00 -0.19 116.57 117.41 2jas h LYS 188 Ca 0.58 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.29 2jas h LYS 188 Cb 1.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2jas h LYS 188 CO -0.60 0.00 -0.03 1.15 -0.57 0.00 0.00 179.45 179.40 2jas h THR 189 N 0.00 1.27 -0.66 -0.16 2.02 -1.63 -2.60 112.91 111.15 2jas h THR 189 Ca 0.27 -1.07 0.10 0.00 0.77 0.00 0.00 66.41 66.47 2jas h THR 189 Cb 0.41 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 2jas h THR 189 CO -0.57 0.36 0.28 1.56 0.37 0.00 0.00 175.52 177.52 2jas h GLN 190 N 0.56 0.47 -0.57 6.66 4.20 -1.08 -1.30 115.11 124.05 2jas h GLN 190 Ca 0.11 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2jas h GLN 190 Cb 0.52 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jas h GLN 190 CO 0.03 0.31 0.20 0.82 -0.67 0.00 0.00 178.83 179.52 2jas h ILE 191 N 0.48 1.23 -0.73 2.54 1.08 -0.96 -1.98 117.51 119.17 2jas h ILE 191 Ca 0.33 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 2jas h ILE 191 Cb 0.40 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2jas h ILE 191 CO -0.30 0.29 0.39 -0.33 -0.69 0.00 0.00 178.15 177.50 2jas h GLU 192 N 0.79 1.03 -0.02 2.37 5.08 -0.95 0.60 114.58 123.47 2jas h GLU 192 Ca 0.19 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2jas h GLU 192 Cb 0.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2jas h GLU 192 CO -0.01 0.77 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.24 2jas h LEU 193 N 1.01 0.06 0.02 1.33 3.38 -1.14 -2.22 115.31 117.75 2jas h LEU 193 Ca 0.26 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2jas h LEU 193 Cb 0.06 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jas h LEU 193 CO -0.04 0.52 -0.37 0.40 0.09 0.00 0.00 178.44 179.04 2jas h ILE 194 N 0.05 1.54 -0.53 1.22 2.04 -0.80 -2.79 117.51 118.24 2jas h ILE 194 Ca 0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 2jas h ILE 194 Cb 0.84 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.74 2jas h ILE 194 CO 0.06 0.58 0.25 0.24 0.00 0.00 0.00 178.15 179.28 2jas h MET 195 N -0.45 0.75 0.31 2.37 2.86 -0.90 -1.24 114.93 118.63 2jas h MET 195 Ca -0.05 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2jas h MET 195 Cb 1.15 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2jas h MET 195 CO 0.07 0.58 -0.15 -0.91 1.06 0.00 0.00 176.91 177.57 2jas h ASN 196 N 0.75 -0.36 -0.86 1.22 2.35 -1.45 -2.60 115.58 114.63 2jas h ASN 196 Ca 0.19 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2jas h ASN 196 Cb 0.09 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2jas h ASN 196 CO -0.02 -0.22 0.54 0.50 -1.65 0.00 0.00 177.43 176.57 2jas h LYS 197 N -0.46 1.15 0.00 0.81 1.63 -1.20 -2.17 116.57 116.34 2jas h LYS 197 Ca -0.04 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 2jas h LYS 197 Cb 0.35 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2jas h LYS 197 CO 0.07 0.79 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.68 2jas h LEU 198 N 1.18 0.00 -0.48 5.20 3.38 -1.19 -2.96 115.31 120.44 2jas h LEU 198 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2jas h LEU 198 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jas h LEU 198 CO -0.06 0.12 0.00 0.59 0.09 0.00 0.00 178.44 179.17 2jas n ASN 199 N -4.03 0.25 0.00 -0.43 5.03 -0.81 -5.10 115.26 110.17 2jas n ASN 199 Ca -0.02 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.36 2jas n ASN 199 Cb 0.20 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 2jas n ASN 199 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89