#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 0.25 -0.18 1.57 1.75 -0.97 -5.03 119.30 116.69 2jas s MET 1 Ca 0.00 0.33 -0.00 0.00 -1.25 0.00 0.00 55.69 54.77 2jas s MET 1 Cb 0.00 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.85 2jas s MET 1 CO 0.00 -0.39 -0.16 0.15 -0.65 0.00 0.00 175.02 173.98 2jas s LYS 2 N 2.93 3.11 -0.10 4.11 1.02 -1.26 -2.55 119.74 127.00 2jas s LYS 2 Ca 0.15 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.39 2jas s LYS 2 Cb -0.07 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 2jas s LYS 2 CO -0.19 -0.17 -0.19 0.42 -0.92 0.00 0.00 175.35 174.29 2jas s ILE 3 N 1.26 1.73 0.08 2.17 1.01 -0.80 -1.03 121.20 125.62 2jas s ILE 3 Ca 0.03 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 59.97 2jas s ILE 3 Cb -0.14 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2jas s ILE 3 CO -0.09 0.49 -0.25 0.00 0.00 0.00 0.00 174.94 175.09 2jas s ALA 4 N 0.62 2.37 -0.14 9.38 0.00 -0.64 0.18 121.76 133.53 2jas s ALA 4 Ca -0.14 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.50 2jas s ALA 4 Cb -0.16 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2jas s ALA 4 CO 0.04 0.54 -0.22 0.42 0.00 0.00 0.00 175.76 176.55 2jas s ILE 5 N -0.94 2.08 -0.07 0.00 1.01 0.73 -1.55 121.20 122.46 2jas s ILE 5 Ca 0.13 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.84 2jas s ILE 5 Cb -0.10 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.55 2jas s ILE 5 CO 0.04 0.55 -0.14 0.12 0.00 0.00 0.00 174.94 175.51 2jas s PHE 6 N 0.82 1.64 0.00 3.97 5.36 0.48 -1.14 117.98 129.12 2jas s PHE 6 Ca -0.07 -0.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 2jas s PHE 6 Cb -0.15 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 2jas s PHE 6 CO -0.02 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 2jas n GLY 7 N 3.72 1.24 3.70 13.12 0.00 -1.26 -0.82 105.19 124.88 2jas n GLY 7 Ca -0.22 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 0.14 2.61 -1.32 -1.26 -4.88 115.64 110.80 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 -2.60 -0.10 0.00 -1.51 0.00 0.00 72.50 68.30 2jas s THR 8 CO 0.00 0.00 1.60 -0.69 -2.21 0.00 0.00 174.62 173.32 2jas s VAL 9 N -3.14 2.73 0.00 5.08 1.01 -1.26 -1.67 120.40 123.15 2jas s VAL 9 Ca 0.68 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2jas s VAL 9 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2jas s VAL 9 CO 0.56 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2jas n GLY 10 N 3.83 0.56 0.22 4.51 0.00 -1.26 -4.74 105.19 108.31 2jas n GLY 10 Ca 0.14 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 0.98 0.00 4.61 0.00 -1.63 -3.40 119.26 119.82 2jas h ALA 11 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 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 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2jas n GLY 12 N 0.33 1.42 0.28 0.00 0.00 -1.26 -4.95 105.19 101.01 2jas n GLY 12 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.51 -0.21 1.61 1.57 -1.91 -0.06 116.57 118.09 2jas h LYS 13 Ca 0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2jas h LYS 13 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2jas h LYS 13 CO 0.00 0.50 -0.28 0.66 -0.57 0.00 0.00 179.45 179.77 2jas h SER 14 N 0.50 0.61 -0.44 0.86 4.64 -1.98 0.77 113.55 118.50 2jas h SER 14 Ca 0.11 -0.51 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 2jas h SER 14 Cb 0.26 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2jas h SER 14 CO 0.00 0.99 -0.04 0.74 -0.87 0.00 0.00 176.83 177.66 2jas h THR 15 N 0.24 1.27 -0.14 2.95 2.02 -1.94 -2.40 112.91 114.90 2jas h THR 15 Ca 0.02 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 2jas h THR 15 Cb 0.85 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2jas h THR 15 CO 0.07 0.38 -0.36 0.40 0.37 0.00 0.00 175.52 176.37 2jas h ILE 16 N 0.65 1.36 -0.69 3.11 5.03 -0.99 -2.83 117.51 123.15 2jas h ILE 16 Ca 0.12 -1.64 -0.07 0.00 -0.12 0.00 0.00 64.86 63.14 2jas h ILE 16 Cb 0.55 2.04 -0.03 0.00 -3.03 0.00 0.00 36.82 36.35 2jas h ILE 16 CO 0.03 0.49 0.14 0.77 -0.68 0.00 0.00 178.15 178.90 2jas h SER 17 N 0.11 1.06 -0.43 1.72 4.64 -0.91 -2.30 113.55 117.44 2jas h SER 17 Ca -0.01 -0.25 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2jas h SER 17 Cb 0.97 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 2jas h SER 17 CO 0.08 1.04 0.13 0.00 -0.87 0.00 0.00 176.83 177.20 2jas h ALA 18 N 1.07 0.50 -0.53 5.18 0.00 -1.47 -1.24 119.26 122.77 2jas h ALA 18 Ca 0.21 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jas h ALA 18 Cb 0.41 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jas h ALA 18 CO 0.01 -0.27 0.15 0.93 0.00 0.00 0.00 179.25 180.07 2jas h GLU 19 N 0.28 0.83 -0.55 0.00 4.39 -1.23 -2.61 114.58 115.68 2jas h GLU 19 Ca 0.21 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2jas h GLU 19 Cb 0.22 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2jas h GLU 19 CO -0.23 0.77 0.13 0.82 -1.16 0.00 0.00 179.01 179.33 2jas h ILE 20 N 0.73 1.25 -0.50 3.13 2.04 -1.29 -2.46 117.51 120.40 2jas h ILE 20 Ca 0.17 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.24 2jas h ILE 20 Cb 0.29 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 2jas h ILE 20 CO -0.00 0.33 -0.02 -1.28 0.00 0.00 0.00 178.15 177.17 2jas h SER 21 N 0.78 -0.26 -0.34 1.72 0.87 -1.05 -0.76 113.55 114.51 2jas h SER 21 Ca 0.17 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2jas h SER 21 Cb 0.35 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 2jas h SER 21 CO 0.00 -0.09 0.17 0.11 -0.53 0.00 0.00 176.83 176.49 2jas h LYS 22 N 0.09 0.49 -0.73 2.24 1.57 -1.32 0.13 116.57 119.03 2jas h LYS 22 Ca 0.25 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2jas h LYS 22 Cb 0.38 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2jas h LYS 22 CO -0.44 0.44 0.22 0.87 -0.57 0.00 0.00 179.45 179.98 2jas h LYS 23 N 0.42 1.14 0.00 3.15 1.57 -0.92 -3.30 116.57 118.63 2jas h LYS 23 Ca 0.12 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2jas h LYS 23 Cb 0.11 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2jas h LYS 23 CO -0.02 0.98 -1.05 1.28 -0.57 0.00 0.00 179.45 180.07 2jas n LEU 24 N -4.26 0.32 0.00 2.94 4.77 -0.35 -5.02 117.00 115.41 2jas n LEU 24 Ca 0.06 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2jas n LEU 24 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2jas n LEU 24 CO 0.42 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2jas n GLY 25 N 1.51 0.41 3.75 -0.72 0.00 0.44 -5.02 105.19 105.56 2jas n GLY 25 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.87 3.94 0.52 1.61 4.12 -1.25 -5.02 117.35 119.40 2jas s TYR 26 Ca 0.00 1.89 -0.21 0.00 0.02 0.00 0.00 57.07 58.77 2jas s TYR 26 Cb 0.00 -3.02 -0.06 0.00 -1.52 0.00 0.00 41.96 37.36 2jas s TYR 26 CO 0.00 0.33 1.17 -1.83 0.02 0.00 0.00 175.55 175.25 2jas s GLU 27 N -1.20 3.44 0.10 -0.62 -1.05 -1.26 -4.72 118.70 113.39 2jas s GLU 27 Ca 0.41 1.76 0.03 0.00 -0.15 0.00 0.00 54.97 57.03 2jas s GLU 27 Cb -0.27 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.21 2jas s GLU 27 CO 0.33 -0.81 0.12 0.42 0.95 0.00 0.00 175.26 176.27 2jas s ILE 28 N -1.61 4.65 -0.23 1.83 1.01 -1.26 -2.44 121.20 123.14 2jas s ILE 28 Ca 0.70 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2jas s ILE 28 Cb -0.28 -3.28 0.06 0.00 0.01 0.00 0.00 42.46 38.97 2jas s ILE 28 CO 0.33 0.06 -0.02 -0.36 0.00 0.00 0.00 174.94 174.94 2jas s PHE 29 N -1.50 2.11 0.01 3.97 0.40 -0.80 -4.98 117.98 117.19 2jas s PHE 29 Ca 0.30 -1.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.04 2jas s PHE 29 Cb -0.12 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2jas s PHE 29 CO 0.23 -0.75 0.04 0.15 0.70 0.00 0.00 175.22 175.59 2jas s LYS 30 N 1.49 2.90 0.75 0.44 1.02 -1.26 -2.43 119.74 122.65 2jas s LYS 30 Ca -0.04 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 2jas s LYS 30 Cb -0.18 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2jas s LYS 30 CO -0.08 0.63 1.13 -1.21 -0.92 0.00 0.00 175.35 174.90 2jas s GLU 31 N -1.74 2.21 0.24 1.68 2.02 -1.26 -4.98 118.70 116.87 2jas s GLU 31 Ca 0.22 1.42 -0.31 0.00 0.02 0.00 0.00 54.97 56.32 2jas s GLU 31 Cb -0.12 -1.87 -0.11 0.00 0.10 0.00 0.00 34.13 32.13 2jas s GLU 31 CO 0.13 -1.72 1.63 -2.14 0.02 0.00 0.00 175.26 173.19 2jas s PRO 32 N -4.40 4.15 0.06 0.39 0.02 -1.26 -4.88 135.00 129.07 2jas s PRO 32 Ca 0.67 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.22 2jas s PRO 32 Cb -0.21 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.24 2jas s PRO 32 CO 0.49 -0.66 0.00 0.28 -0.33 0.00 0.00 177.00 176.78 2jas n VAL 33 N 3.20 0.17 0.01 3.83 0.31 -1.26 -4.69 118.33 119.90 2jas n VAL 33 Ca 0.12 0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2jas n VAL 33 Cb 0.37 -0.64 -0.07 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.05 0.00 5.55 5.08 -2.04 -2.84 114.58 120.39 2jas h GLU 34 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jas h GLU 34 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jas h GLU 34 CO 0.00 0.18 0.00 -0.85 -1.00 0.00 0.00 179.01 177.34 2jas n GLU 35 N -4.99 0.20 -1.76 2.33 0.28 -1.26 -4.68 120.64 110.75 2jas n GLU 35 Ca -0.07 0.40 -0.43 0.00 -0.16 0.00 0.00 57.16 56.90 2jas n GLU 35 Cb 0.10 -1.86 -0.03 0.00 1.43 0.00 0.00 31.44 31.08 2jas n GLU 35 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2jas s ASN 36 N -4.27 6.02 0.00 -1.84 3.84 -1.07 -4.88 114.94 112.74 2jas s ASN 36 Ca 0.05 2.07 0.29 0.00 0.21 0.00 0.00 52.86 55.48 2jas s ASN 36 Cb 0.10 -2.52 1.57 0.00 -0.55 0.00 0.00 41.25 39.85 2jas s ASN 36 CO 0.41 -1.48 2.03 -0.81 -2.79 0.00 0.00 177.10 174.46 2jas n PRO 37 N 8.08 0.63 0.00 0.43 -0.04 -1.26 -2.53 135.00 140.30 2jas n PRO 37 Ca 0.24 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2jas n PRO 37 Cb 0.44 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.16 0.00 0.03 0.54 4.02 -1.26 -4.75 117.16 114.57 2jas n TYR 38 Ca 0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.96 2jas n TYR 38 Cb 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 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 3.23 -0.28 -0.42 -0.72 3.57 -1.79 0.14 116.94 120.66 2jas h PHE 39 Ca 0.00 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 2jas h PHE 39 Cb 0.75 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2jas h PHE 39 CO 0.00 -0.17 -0.29 1.49 -2.23 0.00 0.00 178.31 177.11 2jas h GLU 40 N -0.17 0.94 -0.96 1.11 4.81 -1.85 -3.16 114.58 115.30 2jas h GLU 40 Ca 0.06 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2jas h GLU 40 Cb 0.25 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2jas h GLU 40 CO -0.15 1.11 0.59 1.96 -0.73 0.00 0.00 179.01 181.79 2jas h GLN 41 N 0.77 1.30 0.53 1.92 4.20 -1.79 -2.99 115.11 119.06 2jas h GLN 41 Ca 0.08 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2jas h GLN 41 Cb 0.88 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2jas h GLN 41 CO 0.08 0.90 -0.33 -0.92 -0.67 0.00 0.00 178.83 177.89 2jas h TYR 42 N 1.32 -0.87 0.00 2.96 3.20 -0.70 -1.76 116.97 121.12 2jas h TYR 42 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2jas h TYR 42 Cb -0.08 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2jas h TYR 42 CO 0.00 -0.50 0.00 0.66 -1.64 0.00 0.00 178.16 176.68 2jas n TYR 43 N -5.47 0.00 -0.03 -3.82 4.02 -1.21 -1.42 117.16 109.24 2jas n TYR 43 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.72 2jas n TYR 43 Cb 0.36 -0.45 -0.13 0.00 -0.02 0.00 0.00 39.34 39.10 2jas n TYR 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2jas n LYS 44 N -1.45 0.65 -2.82 -0.72 5.02 -1.06 -4.30 118.16 113.47 2jas n LYS 44 Ca 0.05 0.17 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 2jas n LYS 44 Cb 0.18 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2jas n LYS 44 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jas n ASP 45 N -2.88 -3.14 -0.14 4.39 -0.08 -0.69 -5.04 116.55 108.99 2jas n ASP 45 Ca -0.18 -2.89 -0.04 0.00 -1.51 0.00 0.00 54.79 50.17 2jas n ASP 45 Cb 0.99 1.53 0.03 0.00 2.34 0.00 0.00 41.12 46.01 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 5.00 -0.43 -0.85 -2.67 3.38 -1.46 -2.69 115.31 115.58 2jas h LEU 46 Ca 0.07 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2jas h LEU 46 Cb 1.09 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 2jas h LEU 46 CO 0.06 -0.15 0.44 0.50 0.09 0.00 0.00 178.44 179.38 2jas h LYS 47 N -0.01 0.62 0.00 1.13 3.64 -1.87 0.28 116.57 120.35 2jas h LYS 47 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jas h LYS 47 Cb 0.34 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jas h LYS 47 CO -0.47 0.41 -0.02 1.63 -2.27 0.00 0.00 179.45 178.73 2jas n LYS 48 N -4.86 0.17 -0.01 1.90 5.02 -1.03 -4.19 118.16 115.16 2jas n LYS 48 Ca 0.17 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.61 2jas n LYS 48 Cb 0.43 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 2jas n LYS 48 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jas n THR 49 N -2.00 0.13 -0.34 -0.18 -1.04 -0.08 -4.78 114.28 105.99 2jas n THR 49 Ca 0.06 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2jas n THR 49 Cb 0.40 -0.04 0.06 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.04 0.56 12.58 2.07 -1.28 0.12 116.25 130.34 2jas h VAL 50 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2jas h VAL 50 Cb 0.65 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2jas h VAL 50 CO 0.00 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.07 2jas h PHE 51 N -0.03 -0.69 -0.85 1.57 -1.00 -1.87 0.39 116.94 114.46 2jas h PHE 51 Ca 0.35 -0.02 0.12 0.00 2.81 0.00 0.00 57.97 61.24 2jas h PHE 51 Cb 0.61 0.23 -0.08 0.00 3.61 0.00 0.00 35.95 40.32 2jas h PHE 51 CO -0.80 -0.39 0.46 0.87 -1.61 0.00 0.00 178.31 176.84 2jas h LYS 52 N -0.85 0.70 -0.46 1.51 1.57 -1.73 -0.92 116.57 116.40 2jas h LYS 52 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2jas h LYS 52 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2jas h LYS 52 CO 0.13 0.46 0.24 1.98 -0.57 0.00 0.00 179.45 181.69 2jas h MET 53 N 0.72 0.65 -0.17 3.15 4.05 -0.55 -1.95 114.93 120.83 2jas h MET 53 Ca 0.44 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2jas h MET 53 Cb 0.52 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2jas h MET 53 CO -0.31 0.52 0.08 1.96 0.23 0.00 0.00 176.91 179.39 2jas h GLN 54 N 0.60 0.24 -0.25 0.39 1.08 -0.24 -2.39 115.11 114.54 2jas h GLN 54 Ca 0.16 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 2jas h GLN 54 Cb 0.07 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2jas h GLN 54 CO -0.02 0.29 0.01 0.82 -0.95 0.00 0.00 178.83 178.97 2jas h ILE 55 N 0.13 0.83 -0.70 2.54 2.04 -1.07 -0.20 117.51 121.07 2jas h ILE 55 Ca 0.06 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2jas h ILE 55 Cb 0.13 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2jas h ILE 55 CO -0.01 0.02 0.42 0.22 0.00 0.00 0.00 178.15 178.80 2jas h TYR 56 N 0.09 0.78 -0.09 1.37 3.20 -1.34 -2.12 116.97 118.85 2jas h TYR 56 Ca 0.12 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 2jas h TYR 56 Cb 0.15 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2jas h TYR 56 CO -0.19 0.41 -0.75 0.52 -1.64 0.00 0.00 178.16 176.51 2jas h MET 57 N 0.80 0.50 -0.84 1.82 2.86 -1.01 -1.50 114.93 117.56 2jas h MET 57 Ca 0.30 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2jas h MET 57 Cb 0.11 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2jas h MET 57 CO -0.15 1.04 0.45 -0.07 1.06 0.00 0.00 176.91 179.25 2jas h LEU 58 N 0.34 1.05 -0.52 1.22 3.38 -0.87 -0.31 115.31 119.60 2jas h LEU 58 Ca -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2jas h LEU 58 Cb 1.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2jas h LEU 58 CO 0.14 0.85 0.20 0.74 0.09 0.00 0.00 178.44 180.46 2jas h THR 59 N 1.17 1.22 -0.54 0.22 2.02 -1.23 -1.65 112.91 114.12 2jas h THR 59 Ca 0.29 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2jas h THR 59 Cb 0.04 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2jas h THR 59 CO -0.05 0.26 0.30 0.00 0.37 0.00 0.00 175.52 176.40 2jas h ALA 60 N 1.05 0.69 -0.52 6.16 0.00 -0.68 0.18 119.26 126.13 2jas h ALA 60 Ca 0.17 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2jas h ALA 60 Cb 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2jas h ALA 60 CO -0.01 0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.63 2jas h ARG 61 N 0.72 0.37 -0.47 0.00 -0.00 -0.98 -1.09 114.38 112.92 2jas h ARG 61 Ca 0.19 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.54 2jas h ARG 61 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 2jas h ARG 61 CO -0.03 0.24 -0.13 1.03 0.00 0.00 0.00 179.97 181.09 2jas h SER 62 N 0.38 0.87 -0.33 7.04 0.87 -0.54 -0.90 113.55 120.94 2jas h SER 62 Ca 0.25 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2jas h SER 62 Cb 0.27 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2jas h SER 62 CO -0.25 1.00 -0.06 0.11 -0.53 0.00 0.00 176.83 177.10 2jas h LYS 63 N 0.78 0.62 -0.77 2.24 1.57 -0.86 -2.70 116.57 117.45 2jas h LYS 63 Ca 0.12 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2jas h LYS 63 Cb 0.64 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2jas h LYS 63 CO 0.04 0.79 0.51 1.96 -0.57 0.00 0.00 179.45 182.18 2jas h GLN 64 N 0.41 0.97 -0.16 3.15 4.20 -0.94 -2.19 115.11 120.55 2jas h GLN 64 Ca 0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2jas h GLN 64 Cb 0.54 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2jas h GLN 64 CO 0.03 0.64 0.08 1.25 -0.67 0.00 0.00 178.83 180.16 2jas h LEU 65 N 1.00 0.20 -1.49 1.46 5.85 -1.13 -2.23 115.31 118.96 2jas h LEU 65 Ca 0.30 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.05 2jas h LEU 65 Cb -0.03 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2jas h LEU 65 CO -0.08 0.25 0.52 0.11 -0.34 0.00 0.00 178.44 178.91 2jas h LYS 66 N 0.14 0.49 -0.06 1.25 1.57 -1.07 0.19 116.57 119.08 2jas h LYS 66 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jas h LYS 66 Cb 0.10 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2jas h LYS 66 CO -0.01 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 2jas n GLN 67 N -4.50 2.20 -0.02 3.15 10.64 -0.96 -4.08 117.38 123.80 2jas n GLN 67 Ca 0.15 -1.75 0.01 0.00 -1.83 0.00 0.00 57.00 53.58 2jas n GLN 67 Cb 0.50 -1.47 -0.07 0.00 -0.86 0.00 0.00 30.24 28.34 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 1.11 2.09 -0.11 2.61 0.00 -0.67 -4.84 120.51 120.70 2jas n ALA 68 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2jas n ALA 68 Cb 0.55 -0.15 0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.06 -0.06 -0.01 0.00 5.02 0.59 -0.51 118.16 121.13 2jas n LYS 69 Ca -0.08 0.46 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 2jas n LYS 69 Cb 0.50 -0.68 0.09 0.00 -0.02 0.00 0.00 35.03 34.92 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 -4.44 2.68 -4.67 4.39 3.02 -1.26 -4.96 115.26 110.01 2jas n ASN 70 Ca 0.03 -1.82 -0.43 0.00 -0.03 0.00 0.00 54.58 52.33 2jas n ASN 70 Cb 0.12 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 2jas n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jas s LEU 71 N -1.60 4.19 0.33 3.41 1.43 0.34 -4.93 118.68 121.85 2jas s LEU 71 Ca 0.24 1.64 0.06 0.00 -1.03 0.00 0.00 54.13 55.04 2jas s LEU 71 Cb 0.17 -3.54 0.59 0.00 0.03 0.00 0.00 46.19 43.43 2jas s LEU 71 CO 0.25 -0.68 1.81 -0.33 0.23 0.00 0.00 176.35 177.63 2jas h GLU 72 N 7.81 0.35 -4.06 1.70 5.08 -1.93 -3.42 114.58 120.12 2jas h GLU 72 Ca -0.27 -0.11 -0.53 0.00 -1.00 0.00 0.00 59.36 57.45 2jas h GLU 72 Cb 1.11 -0.03 -0.38 0.00 0.50 0.00 0.00 28.75 29.95 2jas h GLU 72 CO 0.95 0.54 -0.79 -0.80 -1.00 0.00 0.00 179.01 177.91 2jas s ASN 73 N -6.83 2.59 0.09 1.42 0.01 -1.26 -2.29 114.94 108.66 2jas s ASN 73 Ca -0.06 -0.55 -0.00 0.00 -0.71 0.00 0.00 52.86 51.53 2jas s ASN 73 Cb 0.15 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.95 2jas s ASN 73 CO 0.76 -0.19 -0.01 0.27 -1.51 0.00 0.00 177.10 176.43 2jas s ILE 74 N 1.70 0.27 -0.08 0.60 -4.36 -1.05 -4.34 121.20 113.94 2jas s ILE 74 Ca 0.02 -1.87 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 2jas s ILE 74 Cb -0.15 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 41.86 2jas s ILE 74 CO -0.08 -0.79 0.01 -0.63 0.24 0.00 0.00 174.94 173.69 2jas s ILE 75 N -3.90 0.34 -0.19 8.37 1.01 -1.02 -1.91 121.20 123.90 2jas s ILE 75 Ca 0.14 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2jas s ILE 75 Cb 0.07 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 2jas s ILE 75 CO -0.05 0.22 -0.02 -0.36 0.00 0.00 0.00 174.94 174.73 2jas s PHE 76 N 1.99 3.01 -0.58 3.97 0.40 0.13 -1.90 117.98 124.99 2jas s PHE 76 Ca 0.05 -0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 55.65 2jas s PHE 76 Cb -0.12 -2.05 0.06 0.00 0.51 0.00 0.00 43.02 41.42 2jas s PHE 76 CO -0.05 -0.24 0.89 0.34 0.70 0.00 0.00 175.22 176.86 2jas s ASP 77 N 0.89 6.25 0.06 1.36 -1.08 -1.02 -0.19 116.67 122.94 2jas s ASP 77 Ca 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 2jas s ASP 77 Cb -0.14 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2jas s ASP 77 CO 0.02 -1.24 0.00 -1.14 0.52 0.00 0.00 175.17 173.32 2jas n ARG 78 N 7.29 -0.81 -0.54 4.34 0.63 -0.29 -4.52 116.66 122.75 2jas n ARG 78 Ca -0.02 0.63 -0.12 0.00 -0.92 0.00 0.00 57.85 57.41 2jas n ARG 78 Cb 0.46 -0.64 0.10 0.00 0.45 0.00 0.00 32.46 32.83 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 -0.28 0.00 0.93 5.15 -2.24 -1.26 -4.88 114.28 111.70 2jas n THR 79 Ca 0.00 -0.26 0.12 0.00 -2.27 0.00 0.00 64.05 61.64 2jas n THR 79 Cb 0.00 -1.29 0.20 0.00 -2.10 0.00 0.00 70.33 67.13 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 2.84 -0.28 3.22 4.77 -1.26 -4.41 117.00 121.88 2jas n LEU 80 Ca 0.07 -1.02 0.09 0.00 -0.03 0.00 0.00 56.01 55.11 2jas n LEU 80 Cb 0.25 -0.06 0.17 0.00 -2.33 0.00 0.00 43.42 41.44 2jas n LEU 80 CO 0.17 0.51 0.53 0.18 -1.33 0.00 0.00 177.39 177.46 2jas n LEU 81 N 1.18 2.59 -0.24 2.23 4.77 -1.26 -4.68 117.00 121.58 2jas n LEU 81 Ca 0.16 -3.30 0.07 0.00 -0.03 0.00 0.00 56.01 52.91 2jas n LEU 81 Cb 0.56 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jas n LEU 81 CO 0.15 0.89 0.17 -0.62 -1.33 0.00 0.00 177.39 176.65 2jas n GLU 82 N -1.30 1.94 -0.31 3.23 1.02 -1.26 -4.57 120.64 119.39 2jas n GLU 82 Ca 0.18 -0.54 0.05 0.00 -0.02 0.00 0.00 57.16 56.82 2jas n GLU 82 Cb 0.68 -1.21 0.20 0.00 -0.02 0.00 0.00 31.44 31.08 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 1.17 0.70 -0.92 1.62 3.32 -1.91 -1.49 116.42 118.91 2jas h ASP 83 Ca 0.00 0.06 0.26 0.00 0.02 0.00 0.00 57.03 57.37 2jas h ASP 83 Cb 0.45 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2jas h ASP 83 CO 0.00 0.37 0.65 -0.65 -1.72 0.00 0.00 179.24 177.90 2jas h PRO 84 N 0.80 0.07 -0.40 3.56 0.11 -1.97 -1.87 132.00 132.29 2jas h PRO 84 Ca 0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.55 2jas h PRO 84 Cb 0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2jas h PRO 84 CO -0.28 0.05 0.25 0.82 -0.21 0.00 0.00 178.00 178.63 2jas h ILE 85 N 0.07 1.08 -0.14 4.15 2.04 -1.59 -0.39 117.51 122.73 2jas h ILE 85 Ca 0.45 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 66.05 2jas h ILE 85 Cb 1.67 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2jas h ILE 85 CO -0.04 0.09 -0.26 -0.26 0.00 0.00 0.00 178.15 177.68 2jas h PHE 86 N 0.52 0.28 -0.32 1.37 -1.00 -1.46 -1.87 116.94 114.45 2jas h PHE 86 Ca 0.15 -0.05 -0.17 0.00 2.81 0.00 0.00 57.97 60.71 2jas h PHE 86 Cb -0.03 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.45 2jas h PHE 86 CO -0.06 0.50 -0.47 1.98 -1.61 0.00 0.00 178.31 178.65 2jas h MET 87 N 0.23 0.85 -0.08 1.51 4.05 -1.18 -2.77 114.93 117.54 2jas h MET 87 Ca 0.04 -0.50 -0.09 0.00 -0.28 0.00 0.00 59.70 58.87 2jas h MET 87 Cb 0.59 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 2jas h MET 87 CO 0.04 1.13 -0.37 -0.22 0.23 0.00 0.00 176.91 177.73 2jas h LYS 88 N 0.68 0.16 0.36 0.39 1.63 -0.86 -1.63 116.57 117.28 2jas h LYS 88 Ca 0.03 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2jas h LYS 88 Cb 1.06 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2jas h LYS 88 CO 0.11 0.51 -0.17 0.28 -3.45 0.00 0.00 179.45 176.72 2jas h VAL 89 N 0.14 0.66 -0.13 2.00 2.07 -1.27 -1.76 116.25 117.95 2jas h VAL 89 Ca 0.02 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2jas h VAL 89 Cb 0.72 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2jas h VAL 89 CO 0.05 0.06 0.11 0.78 0.02 0.00 0.00 177.57 178.59 2jas h ASN 90 N -0.65 0.00 0.01 0.57 2.35 -1.38 -2.07 115.58 114.41 2jas h ASN 90 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jas h ASN 90 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2jas h ASN 90 CO 0.08 0.00 -0.01 0.22 -1.65 0.00 0.00 177.43 176.08 2jas h TYR 91 N 0.00 -0.01 -0.11 1.19 3.20 -1.13 0.61 116.97 120.71 2jas h TYR 91 Ca 0.06 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2jas h TYR 91 Cb 0.28 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2jas h TYR 91 CO 0.00 0.50 0.12 -0.44 -1.64 0.00 0.00 178.16 176.70 2jas h ASP 92 N -0.53 0.00 -0.73 -2.11 3.32 -0.73 -0.93 116.42 114.71 2jas h ASP 92 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jas h ASP 92 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jas h ASP 92 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2jas n LEU 93 N -3.88 3.95 -2.90 1.55 4.77 -0.83 -4.96 117.00 114.70 2jas n LEU 93 Ca -0.00 -1.99 -0.21 0.00 -0.03 0.00 0.00 56.01 53.77 2jas n LEU 93 Cb 0.23 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2jas n LEU 93 CO 0.28 0.99 0.02 0.59 -1.33 0.00 0.00 177.39 177.93 2jas n ASN 94 N 1.65 -5.94 0.06 -1.43 3.02 -0.35 -4.89 115.26 107.37 2jas n ASN 94 Ca 0.24 -0.29 0.12 0.00 -0.03 0.00 0.00 54.58 54.62 2jas n ASN 94 Cb 0.62 -4.75 0.15 0.00 -0.61 0.00 0.00 39.78 35.20 2jas n ASN 94 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2jas h ASN 95 N -1.41 0.00 -3.46 6.41 2.35 0.01 -3.45 115.58 116.02 2jas h ASN 95 Ca -0.51 -0.22 -0.40 0.00 -0.55 0.00 0.00 56.30 54.62 2jas h ASN 95 Cb 1.35 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.38 2jas h ASN 95 CO 0.54 0.11 -0.77 -0.69 -1.65 0.00 0.00 177.43 174.98 2jas s VAL 96 N -3.18 0.45 1.03 2.81 1.01 -1.16 -4.58 120.40 116.79 2jas s VAL 96 Ca 0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2jas s VAL 96 Cb 0.13 -0.50 0.22 0.00 0.00 0.00 0.00 36.38 36.24 2jas s VAL 96 CO 0.73 0.21 1.25 1.51 0.00 0.00 0.00 175.10 178.80 2jas s ASP 97 N 0.99 2.45 0.13 3.32 1.47 -1.26 -4.63 116.67 119.14 2jas s ASP 97 Ca -0.10 0.41 -0.14 0.00 1.18 0.00 0.00 52.55 53.90 2jas s ASP 97 Cb -0.14 -0.54 0.00 0.00 -0.34 0.00 0.00 42.92 41.90 2jas s ASP 97 CO -0.01 -3.16 1.62 -0.61 0.68 0.00 0.00 175.17 173.70 2jas h GLN 98 N -1.93 0.72 -0.17 2.11 -0.00 -1.99 -2.48 115.11 111.37 2jas h GLN 98 Ca -0.45 -0.19 0.03 0.00 -0.00 0.00 0.00 58.65 58.04 2jas h GLN 98 Cb 1.26 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 28.62 2jas h GLN 98 CO 0.38 0.75 -0.02 1.15 0.00 0.00 0.00 178.83 181.09 2jas h THR 99 N 0.58 0.85 -0.07 2.39 2.02 -1.99 -0.32 112.91 116.37 2jas h THR 99 Ca 0.13 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 2jas h THR 99 Cb 0.37 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2jas h THR 99 CO 0.01 0.01 -0.15 0.44 0.37 0.00 0.00 175.52 176.19 2jas h ASP 100 N 0.03 0.10 0.08 4.18 5.19 -1.92 -0.21 116.42 123.86 2jas h ASP 100 Ca 0.08 -0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 2jas h ASP 100 Cb 0.11 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.62 2jas h ASP 100 CO -0.16 0.26 -0.76 0.22 -3.12 0.00 0.00 179.24 175.68 2jas h TYR 101 N 0.10 0.62 -0.63 4.55 3.20 -1.10 -2.32 116.97 121.40 2jas h TYR 101 Ca 0.02 -0.39 0.03 0.00 3.14 0.00 0.00 58.73 61.53 2jas h TYR 101 Cb 0.33 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2jas h TYR 101 CO 0.00 1.25 0.38 -0.97 -1.64 0.00 0.00 178.16 177.19 2jas h ASN 102 N -0.19 0.62 -0.52 -2.11 -0.73 -0.90 0.15 115.58 111.91 2jas h ASN 102 Ca -0.12 0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.15 2jas h ASN 102 Cb 1.52 -0.13 -0.08 0.00 0.27 0.00 0.00 38.32 39.91 2jas h ASN 102 CO 0.15 0.43 0.06 0.74 -0.37 0.00 0.00 177.43 178.44 2jas h THR 103 N 0.75 0.66 -0.05 -3.57 2.02 -1.09 -1.54 112.91 110.09 2jas h THR 103 Ca 0.25 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 2jas h THR 103 Cb 0.03 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2jas h THR 103 CO -0.11 0.03 0.02 0.22 0.37 0.00 0.00 175.52 176.05 2jas h TYR 104 N 0.19 0.07 -0.54 3.16 3.20 -0.66 -1.61 116.97 120.78 2jas h TYR 104 Ca 0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.14 2jas h TYR 104 Cb 0.38 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2jas h TYR 104 CO -0.27 0.23 0.35 0.82 -1.64 0.00 0.00 178.16 177.65 2jas h ILE 105 N -0.11 1.11 -0.04 1.81 1.08 -0.59 0.61 117.51 121.37 2jas h ILE 105 Ca 0.02 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2jas h ILE 105 Cb 0.19 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2jas h ILE 105 CO -0.00 0.13 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.80 2jas h ASP 106 N 0.70 -0.03 -0.42 1.72 3.58 -1.23 -0.52 116.42 120.22 2jas h ASP 106 Ca 0.21 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.71 2jas h ASP 106 Cb -0.04 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2jas h ASP 106 CO -0.06 -0.01 0.17 0.15 -2.88 0.00 0.00 179.24 176.60 2jas h PHE 107 N 0.00 0.31 -0.54 0.28 3.57 -0.89 -0.33 116.94 119.33 2jas h PHE 107 Ca 0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2jas h PHE 107 Cb 0.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2jas h PHE 107 CO -0.11 0.13 0.10 -0.92 -2.23 0.00 0.00 178.31 175.28 2jas h TYR 108 N 0.35 0.95 -0.29 0.41 3.20 -0.60 0.39 116.97 121.38 2jas h TYR 108 Ca 0.19 -0.13 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 2jas h TYR 108 Cb 0.15 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2jas h TYR 108 CO -0.13 0.84 -0.53 -0.91 -1.64 0.00 0.00 178.16 175.78 2jas h ASN 109 N 0.78 0.97 1.21 -2.11 4.21 -0.99 0.25 115.58 119.90 2jas h ASN 109 Ca 0.17 -0.53 -0.03 0.00 1.21 0.00 0.00 56.30 57.11 2jas h ASN 109 Cb 0.39 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2jas h ASN 109 CO 0.01 1.32 -0.81 0.78 -1.29 0.00 0.00 177.43 177.44 2jas h ASN 110 N 0.66 0.00 0.00 5.81 2.35 -1.00 -3.33 115.58 120.07 2jas h ASN 110 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2jas h ASN 110 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2jas h ASN 110 CO 0.12 0.12 -0.01 0.52 -1.65 0.00 0.00 177.43 176.53 2jas n VAL 111 N -2.84 0.03 0.34 2.81 0.31 0.12 -4.58 118.33 114.52 2jas n VAL 111 Ca -0.00 0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 2jas n VAL 111 Cb 0.60 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.01 0.29 0.00 2.52 2.07 -1.56 -2.62 116.25 116.94 2jas h VAL 112 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jas h VAL 112 Cb 0.01 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2jas h VAL 112 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 2jas n LEU 113 N -5.49 0.20 -2.96 2.57 4.77 0.86 -2.28 117.00 114.67 2jas n LEU 113 Ca -0.13 0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 56.14 2jas n LEU 113 Cb 0.38 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2jas n LEU 113 CO 0.36 -0.59 2.79 -0.62 -1.33 0.00 0.00 177.39 178.00 2jas n GLU 114 N -1.76 3.01 -2.14 3.23 -0.58 -0.99 -4.50 120.64 116.92 2jas n GLU 114 Ca 0.00 -1.77 -0.36 0.00 -0.42 0.00 0.00 57.16 54.62 2jas n GLU 114 Cb 0.05 -2.54 0.03 0.00 -0.57 0.00 0.00 31.44 28.41 2jas n GLU 114 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2jas n ASN 115 N 3.40 6.61 -4.12 1.62 0.23 -0.97 -4.99 115.26 117.04 2jas n ASN 115 Ca 0.64 -3.79 -0.37 0.00 -0.53 0.00 0.00 54.58 50.53 2jas n ASN 115 Cb 0.38 -0.88 -0.06 0.00 -2.08 0.00 0.00 39.78 37.13 2jas n ASN 115 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jas s LEU 116 N -3.91 5.58 -0.32 -4.53 1.43 -1.26 -5.21 118.68 110.46 2jas s LEU 116 Ca 0.50 -3.54 -0.28 0.00 -1.03 0.00 0.00 54.13 49.79 2jas s LEU 116 Cb 0.42 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2jas s LEU 116 CO -0.33 -0.23 2.13 -0.22 0.23 0.00 0.00 176.35 177.93 2jas s LEU 123 N -1.08 3.44 -0.12 1.79 2.96 -1.26 -5.27 118.68 119.14 2jas s LEU 123 Ca 0.25 1.52 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 2jas s LEU 123 Cb -0.10 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2jas s LEU 123 CO -0.11 -2.09 -0.17 -0.94 -1.32 0.00 0.00 176.35 171.73 2jas s SER 124 N 8.46 3.72 0.43 3.68 1.04 -1.26 -5.09 113.70 124.67 2jas s SER 124 Ca 0.93 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.86 2jas s SER 124 Cb -0.26 -1.50 -0.06 0.00 0.10 0.00 0.00 66.02 64.29 2jas s SER 124 CO 0.32 0.17 0.81 -0.36 0.98 0.00 0.00 173.24 175.16 2jas s PHE 125 N 0.28 3.48 -0.15 5.02 0.40 -1.26 -4.92 117.98 120.82 2jas s PHE 125 Ca -0.12 1.10 0.17 0.00 -0.60 0.00 0.00 56.93 57.48 2jas s PHE 125 Cb -0.16 -2.49 0.24 0.00 0.51 0.00 0.00 43.02 41.11 2jas s PHE 125 CO 0.06 -0.16 1.53 -0.44 0.70 0.00 0.00 175.22 176.91 2jas h ASP 126 N 1.13 0.00 -3.34 1.36 3.32 -1.47 -3.44 116.42 113.98 2jas h ASP 126 Ca -0.47 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.61 2jas h ASP 126 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 2jas h ASP 126 CO 0.63 0.39 0.28 -0.51 -1.72 0.00 0.00 179.24 178.31 2jas s ILE 127 N -3.10 0.00 -0.21 0.35 2.07 -1.16 -4.87 121.20 114.29 2jas s ILE 127 Ca 0.04 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2jas s ILE 127 Cb 0.08 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.71 2jas s ILE 127 CO 0.72 0.00 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.98 2jas s VAL 128 N 0.61 1.53 -0.40 4.00 1.01 -0.31 -1.62 120.40 125.22 2jas s VAL 128 Ca -0.01 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 2jas s VAL 128 Cb -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2jas s VAL 128 CO -0.07 0.07 0.76 -0.63 0.00 0.00 0.00 175.10 175.23 2jas s ILE 129 N 1.43 4.72 -0.39 2.22 1.01 -0.60 -0.66 121.20 128.92 2jas s ILE 129 Ca -0.03 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.01 2jas s ILE 129 Cb -0.17 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2jas s ILE 129 CO -0.07 -0.55 0.74 -0.47 0.00 0.00 0.00 174.94 174.58 2jas s TYR 130 N 3.13 3.09 -1.08 3.97 5.04 0.11 -0.38 117.35 131.22 2jas s TYR 130 Ca 0.29 0.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.12 2jas s TYR 130 Cb -0.13 -3.40 0.16 0.00 0.35 0.00 0.00 41.96 38.94 2jas s TYR 130 CO 0.19 -0.78 1.28 -0.51 -1.34 0.00 0.00 175.55 174.39 2jas s LEU 131 N 3.03 5.14 0.12 6.97 1.43 -0.00 0.13 118.68 135.49 2jas s LEU 131 Ca 0.28 -2.61 -0.31 0.00 -1.03 0.00 0.00 54.13 50.47 2jas s LEU 131 Cb -0.13 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.62 2jas s LEU 131 CO 0.18 -0.86 1.43 -0.60 0.23 0.00 0.00 176.35 176.74 2jas s ARG 132 N 1.91 4.29 0.05 1.70 3.52 -0.92 -4.62 118.95 124.89 2jas s ARG 132 Ca 0.37 2.13 -0.05 0.00 -0.13 0.00 0.00 55.73 58.06 2jas s ARG 132 Cb -0.04 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2jas s ARG 132 CO -0.04 -0.49 0.08 0.14 -0.81 0.00 0.00 175.30 174.17 2jas s VAL 133 N 1.24 0.16 0.63 7.11 -7.23 -1.26 -1.33 120.40 119.72 2jas s VAL 133 Ca 0.66 -1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 59.40 2jas s VAL 133 Cb -0.38 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 2jas s VAL 133 CO 0.30 -0.71 1.06 -0.94 -0.31 0.00 0.00 175.10 174.50 2jas s SER 134 N -2.45 5.60 0.17 4.85 1.04 -1.26 -4.96 113.70 116.69 2jas s SER 134 Ca -0.00 1.77 -0.14 0.00 0.48 0.00 0.00 55.95 58.05 2jas s SER 134 Cb 0.02 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.68 2jas s SER 134 CO -0.07 -1.29 1.81 0.74 0.98 0.00 0.00 173.24 175.41 2jas h THR 135 N 0.05 1.15 -0.17 2.02 2.02 -1.98 -2.06 112.91 113.94 2jas h THR 135 Ca -0.46 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.43 2jas h THR 135 Cb 1.22 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2jas h THR 135 CO 0.57 0.16 -0.10 0.11 0.37 0.00 0.00 175.52 176.63 2jas h LYS 136 N 0.71 -0.08 -0.45 6.66 1.79 -1.98 0.20 116.57 123.42 2jas h LYS 136 Ca 0.19 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.69 2jas h LYS 136 Cb -0.03 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 2jas h LYS 136 CO -0.04 -0.06 0.24 1.15 -1.08 0.00 0.00 179.45 179.67 2jas h THR 137 N -0.09 1.00 0.29 -0.16 2.02 -1.93 -1.41 112.91 112.63 2jas h THR 137 Ca 0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2jas h THR 137 Cb 0.23 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2jas h THR 137 CO -0.23 0.09 -0.14 0.00 0.37 0.00 0.00 175.52 175.62 2jas h ALA 138 N 1.22 -0.38 -0.68 6.16 0.00 -0.88 -1.28 119.26 123.42 2jas h ALA 138 Ca 0.19 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.15 2jas h ALA 138 Cb 0.06 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2jas h ALA 138 CO -0.11 -0.70 -0.03 0.82 0.00 0.00 0.00 179.25 179.24 2jas h ILE 139 N -0.42 0.41 -0.46 0.00 2.04 -0.49 0.12 117.51 118.71 2jas h ILE 139 Ca -0.04 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2jas h ILE 139 Cb 0.32 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2jas h ILE 139 CO 0.06 0.02 0.13 0.77 0.00 0.00 0.00 178.15 179.13 2jas h SER 140 N 0.09 0.63 0.82 1.72 4.64 -0.87 -1.26 113.55 119.33 2jas h SER 140 Ca 0.36 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 2jas h SER 140 Cb 0.60 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2jas h SER 140 CO -0.61 0.62 -0.31 0.03 -0.87 0.00 0.00 176.83 175.68 2jas h ARG 141 N 0.67 0.00 -0.32 4.77 3.08 0.03 -2.76 114.38 119.84 2jas h ARG 141 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2jas h ARG 141 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2jas h ARG 141 CO -0.01 0.31 0.12 0.82 -1.07 0.00 0.00 179.97 180.14 2jas h ILE 142 N 0.00 1.19 -0.55 2.04 2.04 0.30 -0.19 117.51 122.34 2jas h ILE 142 Ca -0.00 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2jas h ILE 142 Cb 0.81 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2jas h ILE 142 CO 0.04 0.21 0.26 0.11 0.00 0.00 0.00 178.15 178.77 2jas h LYS 143 N 0.37 0.76 0.00 2.37 1.57 -1.13 0.58 116.57 121.09 2jas h LYS 143 Ca 0.11 -0.09 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 2jas h LYS 143 Cb 0.21 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2jas h LYS 143 CO -0.01 0.59 -2.07 0.36 -0.57 0.00 0.00 179.45 177.75 2jas n LYS 144 N -4.37 0.67 0.00 3.15 2.85 -1.06 -4.74 118.16 114.65 2jas n LYS 144 Ca 0.05 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2jas n LYS 144 Cb 0.12 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.62 2.21 -0.96 -1.58 1.74 -0.13 -5.10 116.66 110.22 2jas n ARG 145 Ca -0.19 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.65 2jas n ARG 145 Cb 0.91 -0.85 0.20 0.00 -1.02 0.00 0.00 32.46 31.69 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 1.95 -2.51 3.83 -0.13 0.00 0.19 -4.98 105.19 103.54 2jas n GLY 146 Ca 0.00 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 -5.07 4.02 0.52 1.61 0.52 -1.26 -4.90 118.95 114.39 2jas s ARG 147 Ca 0.58 0.53 0.22 0.00 -0.52 0.00 0.00 55.73 56.54 2jas s ARG 147 Cb -0.05 -3.20 1.33 0.00 0.52 0.00 0.00 34.95 33.55 2jas s ARG 147 CO 0.44 0.65 2.02 0.66 0.02 0.00 0.00 175.30 179.09 2jas h SER 148 N 4.51 0.05 0.18 0.23 4.64 -1.96 0.80 113.55 122.00 2jas h SER 148 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2jas h SER 148 Cb 1.21 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2jas h SER 148 CO 0.63 0.03 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.15 2jas h GLU 149 N 0.05 0.00 0.00 4.77 3.07 -1.96 -2.34 114.58 118.17 2jas h GLU 149 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2jas h GLU 149 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2jas h GLU 149 CO -0.01 0.13 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 2jas n GLU 150 N -4.16 0.10 0.01 2.33 1.02 0.28 -1.87 120.64 118.35 2jas n GLU 150 Ca -0.02 0.38 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 2jas n GLU 150 Cb 0.21 -1.71 0.49 0.00 -0.02 0.00 0.00 31.44 30.41 2jas n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jas n LEU 151 N -1.91 0.23 0.16 -4.62 4.77 -0.88 -4.26 117.00 110.49 2jas n LEU 151 Ca 0.02 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.40 2jas n LEU 151 Cb 0.18 -0.41 0.17 0.00 -2.33 0.00 0.00 43.42 41.03 2jas n LEU 151 CO 0.15 0.01 0.54 -0.07 -1.33 0.00 0.00 177.39 176.69 2jas h LEU 152 N 0.00 0.00-10.45 2.23 3.38 -1.54 -3.45 115.31 105.48 2jas h LEU 152 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2jas h LEU 152 Cb 0.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.32 2jas h LEU 152 CO 0.00 0.49 -0.12 0.27 0.09 0.00 0.00 178.44 179.17 2jas s ILE 153 N -3.27 3.06 0.71 1.22 -0.00 -1.26 -4.98 121.20 116.69 2jas s ILE 153 Ca 0.02 -0.74 -0.09 0.00 -0.00 0.00 0.00 60.65 59.84 2jas s ILE 153 Cb 0.10 -3.11 0.05 0.00 -0.00 0.00 0.00 42.46 39.50 2jas s ILE 153 CO 0.72 -0.06 1.05 -0.83 -0.00 0.00 0.00 174.94 175.82 2jas s GLY 154 N -4.36 1.64 0.49 6.27 0.00 -1.26 -4.99 107.32 105.11 2jas s GLY 154 Ca 0.54 -0.73 0.17 0.00 0.00 0.00 0.00 44.72 44.71 2jas s GLY 154 CO 0.37 -0.32 2.06 0.83 0.00 0.00 0.00 173.10 176.03 2jas h GLU 155 N -0.66 0.16 -0.93 2.90 4.39 -1.99 -2.87 114.58 115.58 2jas h GLU 155 Ca -0.45 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.41 2jas h GLU 155 Cb 1.30 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.84 2jas h GLU 155 CO 0.62 0.10 0.60 0.93 -1.16 0.00 0.00 179.01 180.10 2jas h GLU 156 N 0.16 0.62 0.19 2.33 3.07 -1.99 0.10 114.58 119.06 2jas h GLU 156 Ca 0.14 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2jas h GLU 156 Cb 0.37 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2jas h GLU 156 CO -0.02 0.41 -0.25 -0.92 -1.40 0.00 0.00 179.01 176.83 2jas h TYR 157 N 0.64 -0.66 0.00 4.33 3.20 -1.90 0.10 116.97 122.67 2jas h TYR 157 Ca 0.49 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.29 2jas h TYR 157 Cb 0.90 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2jas h TYR 157 CO -0.00 -0.36 -0.37 -1.49 -1.64 0.00 0.00 178.16 174.29 2jas h TRP 158 N -0.50 0.00 -0.03 -3.82 4.06 -1.04 0.30 115.95 114.93 2jas h TRP 158 Ca 0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2jas h TRP 158 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2jas h TRP 158 CO -0.20 0.37 -0.04 0.93 -3.56 0.00 0.00 178.44 175.95 2jas h GLU 159 N 0.00 0.07 -0.82 0.49 5.08 -0.92 -0.70 114.58 117.78 2jas h GLU 159 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2jas h GLU 159 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2jas h GLU 159 CO 0.05 0.58 0.42 1.15 -1.00 0.00 0.00 179.01 180.21 2jas h THR 160 N -0.43 1.25 -0.21 1.13 2.02 -0.53 -0.46 112.91 115.69 2jas h THR 160 Ca 0.00 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 2jas h THR 160 Cb 0.57 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jas h THR 160 CO 0.01 0.29 0.01 0.25 0.37 0.00 0.00 175.52 176.44 2jas h LEU 161 N 1.16 0.35 -0.76 2.58 5.85 -0.41 -2.05 115.31 122.03 2jas h LEU 161 Ca 0.29 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jas h LEU 161 Cb 0.07 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2jas h LEU 161 CO -0.04 0.57 0.41 -1.13 -0.34 0.00 0.00 178.44 177.90 2jas h ASN 162 N 0.13 0.95 -0.44 1.25 -1.24 -0.83 -0.74 115.58 114.66 2jas h ASN 162 Ca 0.06 -0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.00 2jas h ASN 162 Cb 0.38 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2jas h ASN 162 CO 0.01 0.78 0.24 0.50 -1.29 0.00 0.00 177.43 177.67 2jas h LYS 163 N 1.05 0.46 0.00 6.67 3.64 -1.06 -2.44 116.57 124.89 2jas h LYS 163 Ca 0.27 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2jas h LYS 163 Cb 0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jas h LYS 163 CO -0.04 0.31 -0.18 -0.91 -2.27 0.00 0.00 179.45 176.35 2jas h ASN 164 N 0.48 0.00 -0.08 4.20 2.35 -0.91 -2.04 115.58 119.57 2jas h ASN 164 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2jas h ASN 164 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2jas h ASN 164 CO -0.11 0.18 -0.18 1.88 -1.65 0.00 0.00 177.43 177.55 2jas h TYR 165 N 0.00 0.33 -0.99 1.19 -1.99 -0.74 -1.54 116.97 113.24 2jas h TYR 165 Ca -0.00 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.67 2jas h TYR 165 Cb 0.63 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 39.23 2jas h TYR 165 CO 0.00 0.78 0.64 1.49 -0.00 0.00 0.00 178.16 181.07 2jas h GLU 166 N -0.21 1.11 0.46 4.88 4.57 -1.39 -1.71 114.58 122.29 2jas h GLU 166 Ca 0.00 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2jas h GLU 166 Cb 0.77 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2jas h GLU 166 CO 0.04 0.73 -0.41 1.49 -1.18 0.00 0.00 179.01 179.68 2jas h GLU 167 N 1.14 -0.85 -0.63 1.92 4.57 -1.26 -0.30 114.58 119.18 2jas h GLU 167 Ca 0.43 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.79 2jas h GLU 167 Cb 0.20 0.19 -0.12 0.00 -0.16 0.00 0.00 28.75 28.86 2jas h GLU 167 CO -0.17 -0.57 -0.21 0.35 -1.18 0.00 0.00 179.01 177.23 2jas h PHE 168 N -0.88 -0.49 -0.84 0.92 3.57 -0.95 -0.63 116.94 117.64 2jas h PHE 168 Ca -0.05 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2jas h PHE 168 Cb 0.77 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 2jas h PHE 168 CO -0.20 -0.31 0.54 -0.92 -2.23 0.00 0.00 178.31 175.19 2jas h TYR 169 N -0.05 1.02 -0.46 0.41 3.20 -1.08 0.16 116.97 120.17 2jas h TYR 169 Ca 0.29 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.05 2jas h TYR 169 Cb 0.50 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2jas h TYR 169 CO -0.55 0.60 -0.26 0.87 -1.64 0.00 0.00 178.16 177.18 2jas h LYS 170 N 1.07 0.99 -0.00 1.82 1.57 0.22 -3.18 116.57 119.06 2jas h LYS 170 Ca 0.33 -0.45 -0.23 0.00 -1.87 0.00 0.00 60.65 58.43 2jas h LYS 170 Cb -0.03 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.27 2jas h LYS 170 CO -0.10 1.12 -0.95 1.96 -0.57 0.00 0.00 179.45 180.91 2jas h GLN 171 N 0.84 0.46 -6.82 3.15 4.20 -1.02 -3.48 115.11 112.45 2jas h GLN 171 Ca 0.10 -0.49 -0.57 0.00 0.06 0.00 0.00 58.65 57.75 2jas h GLN 171 Cb 0.85 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 28.65 2jas h GLN 171 CO 0.07 1.14 -0.94 -1.71 -0.67 0.00 0.00 178.83 176.72 2jas n ASN 172 N -3.77 -0.42 -0.03 1.46 5.15 0.56 -4.83 115.26 113.38 2jas n ASN 172 Ca -0.07 -1.17 0.07 0.00 -0.60 0.00 0.00 54.58 52.81 2jas n ASN 172 Cb 0.84 -2.21 0.45 0.00 -0.53 0.00 0.00 39.78 38.33 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 -1.91 1.02 -0.56 3.44 2.07 -1.92 -2.15 116.25 116.24 2jas h VAL 173 Ca -0.66 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2jas h VAL 173 Cb 1.39 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2jas h VAL 173 CO 0.64 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 177.11 2jas n TYR 174 N -4.48 1.31 -3.03 1.57 4.02 -1.26 -4.95 117.16 110.35 2jas n TYR 174 Ca 0.06 -0.52 -0.21 0.00 -0.01 0.00 0.00 57.90 57.22 2jas n TYR 174 Cb 0.18 -0.23 0.01 0.00 -0.02 0.00 0.00 39.34 39.29 2jas n TYR 174 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2jas n ASP 175 N 0.92 -4.89 -4.69 7.72 8.00 -0.81 -4.93 116.55 117.88 2jas n ASP 175 Ca 0.22 -0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 2jas n ASP 175 Cb 0.79 -4.01 -0.01 0.00 -0.02 0.00 0.00 41.12 37.87 2jas n ASP 175 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jas n PHE 176 N -4.10 2.25 -2.56 1.24 0.99 -1.26 -4.88 117.46 109.13 2jas n PHE 176 Ca -0.09 0.51 -0.42 0.00 -0.00 0.00 0.00 57.45 57.45 2jas n PHE 176 Cb 0.59 -2.43 -0.02 0.00 -1.00 0.00 0.00 39.48 36.62 2jas n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2jas s PRO 177 N -1.36 3.73 0.34 -1.08 0.05 -1.26 -4.97 135.00 130.45 2jas s PRO 177 Ca 0.60 -1.45 -0.27 0.00 0.05 0.00 0.00 61.00 59.93 2jas s PRO 177 Cb -0.59 -5.43 -0.09 0.00 0.05 0.00 0.00 34.50 28.44 2jas s PRO 177 CO 0.58 -2.24 1.07 -0.06 0.05 0.00 0.00 177.00 176.40 2jas s PHE 178 N 4.75 3.42 -0.16 0.56 0.40 -1.26 -1.16 117.98 124.53 2jas s PHE 178 Ca 0.49 1.67 -0.02 0.00 -0.60 0.00 0.00 56.93 58.47 2jas s PHE 178 Cb 0.01 -3.21 0.05 0.00 0.51 0.00 0.00 43.02 40.39 2jas s PHE 178 CO -0.03 -0.59 0.02 0.12 0.70 0.00 0.00 175.22 175.44 2jas s PHE 179 N -1.41 0.92 0.12 0.36 5.36 0.16 -4.88 117.98 118.61 2jas s PHE 179 Ca 0.51 -0.64 -0.26 0.00 -0.96 0.00 0.00 56.93 55.58 2jas s PHE 179 Cb -0.27 -0.96 -0.07 0.00 -0.34 0.00 0.00 43.02 41.38 2jas s PHE 179 CO 0.34 -0.52 0.81 0.08 -1.46 0.00 0.00 175.22 174.47 2jas s VAL 180 N 1.89 4.50 -0.08 3.12 1.01 -1.26 -0.71 120.40 128.87 2jas s VAL 180 Ca 0.01 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2jas s VAL 180 Cb -0.15 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2jas s VAL 180 CO -0.07 0.44 -0.07 -0.69 0.00 0.00 0.00 175.10 174.71 2jas s VAL 181 N -0.59 0.82 -0.57 2.92 1.01 0.12 -4.90 120.40 119.21 2jas s VAL 181 Ca 0.39 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 2jas s VAL 181 Cb -0.22 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2jas s VAL 181 CO 0.26 0.31 1.99 -0.62 0.00 0.00 0.00 175.10 177.04 2jas s ASP 182 N 1.34 5.09 0.00 3.32 2.15 -1.26 -2.16 116.67 125.14 2jas s ASP 182 Ca -0.03 0.56 0.22 0.00 0.43 0.00 0.00 52.55 53.73 2jas s ASP 182 Cb -0.14 -2.52 1.31 0.00 -0.30 0.00 0.00 42.92 41.27 2jas s ASP 182 CO -0.03 -2.48 1.84 0.00 -0.17 0.00 0.00 175.17 174.34 2jas n ALA 183 N 13.43 2.63 0.23 3.66 0.00 -0.44 -2.75 120.51 137.27 2jas n ALA 183 Ca 0.24 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2jas n ALA 183 Cb 0.53 -1.35 0.46 0.00 0.00 0.00 0.00 19.45 19.08 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 0.04 0.00 -7.11 0.00 4.39 -1.88 -3.46 114.58 106.56 2jas h GLU 184 Ca 0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 2jas h GLU 184 Cb 0.01 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 28.87 2jas h GLU 184 CO 0.00 0.14 -0.04 -0.51 -1.16 0.00 0.00 179.01 177.45 2jas s LEU 185 N -6.49 0.15 0.27 1.33 1.43 -1.11 -4.99 118.68 109.27 2jas s LEU 185 Ca 0.02 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.10 2jas s LEU 185 Cb 0.09 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 2jas s LEU 185 CO 0.62 -4.61 1.27 -0.62 0.23 0.00 0.00 176.35 173.24 2jas s ASP 186 N -2.72 6.91 0.23 2.29 -1.08 -1.26 -4.91 116.67 116.13 2jas s ASP 186 Ca 0.69 2.51 -0.12 0.00 -0.52 0.00 0.00 52.55 55.10 2jas s ASP 186 Cb -0.21 -2.63 0.31 0.00 -1.46 0.00 0.00 42.92 38.93 2jas s ASP 186 CO 0.63 -0.46 1.60 -0.37 0.52 0.00 0.00 175.17 177.09 2jas h VAL 187 N 3.30 0.22 -0.98 1.11 -1.51 -1.94 0.26 116.25 116.71 2jas h VAL 187 Ca -0.47 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.23 2jas h VAL 187 Cb 1.22 0.22 -0.12 0.00 -2.13 0.00 0.00 31.29 30.48 2jas h VAL 187 CO 0.70 0.00 0.56 0.11 -1.23 0.00 0.00 177.57 177.71 2jas h LYS 188 N -0.01 0.56 -0.08 5.19 1.57 -2.00 -0.53 116.57 121.29 2jas h LYS 188 Ca 0.37 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 2jas h LYS 188 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jas h LYS 188 CO -0.79 0.37 -0.33 1.15 -0.57 0.00 0.00 179.45 179.28 2jas h THR 189 N 0.58 1.41 -0.65 -0.16 2.02 -1.35 -1.63 112.91 113.13 2jas h THR 189 Ca 0.62 -1.71 0.10 0.00 0.77 0.00 0.00 66.41 66.18 2jas h THR 189 Cb 1.13 2.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 2jas h THR 189 CO -0.47 0.50 0.27 1.56 0.37 0.00 0.00 175.52 177.75 2jas h GLN 190 N -0.11 0.46 0.09 6.66 4.20 -0.80 -0.64 115.11 124.97 2jas h GLN 190 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2jas h GLN 190 Cb 0.97 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2jas h GLN 190 CO 0.07 0.30 -0.09 0.82 -0.67 0.00 0.00 178.83 179.26 2jas h ILE 191 N 0.47 0.79 -0.80 2.54 1.08 -1.07 -1.12 117.51 119.41 2jas h ILE 191 Ca 0.33 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.96 2jas h ILE 191 Cb 0.40 0.79 -0.10 0.00 -3.07 0.00 0.00 36.82 34.84 2jas h ILE 191 CO -0.30 0.00 0.33 -0.33 -0.69 0.00 0.00 178.15 177.16 2jas h GLU 192 N -0.20 0.43 -0.38 2.37 5.08 -0.48 0.27 114.58 121.67 2jas h GLU 192 Ca 0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2jas h GLU 192 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jas h GLU 192 CO -0.02 0.28 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.94 2jas h LEU 193 N 0.44 0.88 0.02 1.33 3.38 -0.96 -2.41 115.31 118.00 2jas h LEU 193 Ca 0.46 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jas h LEU 193 Cb 0.74 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jas h LEU 193 CO -0.44 1.13 -0.01 0.40 0.09 0.00 0.00 178.44 179.60 2jas h ILE 194 N 0.65 1.14 -0.89 1.22 2.04 0.08 -1.31 117.51 120.44 2jas h ILE 194 Ca 0.08 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2jas h ILE 194 Cb 0.83 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2jas h ILE 194 CO 0.07 0.13 0.58 0.24 0.00 0.00 0.00 178.15 179.18 2jas h MET 195 N -0.26 1.12 -0.10 2.37 2.86 -0.58 -0.72 114.93 119.61 2jas h MET 195 Ca -0.00 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2jas h MET 195 Cb 0.25 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2jas h MET 195 CO 0.01 0.74 -0.27 -0.91 1.06 0.00 0.00 176.91 177.53 2jas h ASN 196 N 1.15 0.18 0.43 1.22 4.21 -1.34 -2.80 115.58 118.63 2jas h ASN 196 Ca 0.35 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 2jas h ASN 196 Cb -0.04 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 2jas h ASN 196 CO -0.10 0.46 -0.21 0.50 -1.29 0.00 0.00 177.43 176.79 2jas h LYS 197 N 0.16 -0.56 -0.57 0.81 1.63 -0.37 -3.22 116.57 114.46 2jas h LYS 197 Ca 0.03 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.03 2jas h LYS 197 Cb 0.57 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 2jas h LYS 197 CO 0.04 -0.29 0.79 -0.07 -3.45 0.00 0.00 179.45 176.48 2jas h LEU 198 N -1.07 0.00 -2.20 5.20 3.38 -1.13 -1.70 115.31 117.79 2jas h LEU 198 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jas h LEU 198 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jas h LEU 198 CO 0.10 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.22 2jas n ASN 199 N -3.31 2.87 0.00 -0.43 3.02 -1.06 -5.10 115.26 111.25 2jas n ASN 199 Ca 0.12 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 2jas n ASN 199 Cb 0.99 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2jas n ASN 199 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10