#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj s PRO 81 N 0.00 4.39 -0.95 1.61 0.04 -1.26 -4.98 135.00 133.84 2jxj s PRO 81 Ca 0.00 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 2jxj s PRO 81 Cb 0.00 -3.27 0.24 0.00 0.04 0.00 0.00 34.50 31.51 2jxj s PRO 81 CO 0.00 -0.31 0.89 -0.51 0.04 0.00 0.00 177.00 177.11 2jxj s LEU 82 N 0.71 6.07 0.00 -3.56 1.43 -1.26 -4.89 118.68 117.18 2jxj s LEU 82 Ca 0.60 -3.42 0.00 0.00 -1.03 0.00 0.00 54.13 50.28 2jxj s LEU 82 Cb -0.34 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.80 2jxj s LEU 82 CO 0.32 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2jxj n GLY 83 N 2.87 0.09 1.15 -3.19 0.00 -1.26 -4.80 105.19 100.06 2jxj n GLY 83 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2jxj n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 84 N -1.14 2.86 -0.03 1.61 7.64 -1.26 -4.65 113.62 118.64 2jxj n SER 84 Ca 0.00 -3.59 -0.15 0.00 1.01 0.00 0.00 58.87 56.14 2jxj n SER 84 Cb 0.00 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.46 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jxj h ARG 85 N 1.17 0.15 -0.30 1.43 3.08 -1.90 -2.75 114.38 115.26 2jxj h ARG 85 Ca 0.19 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2jxj h ARG 85 Cb 1.68 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 2jxj h ARG 85 CO 0.39 0.87 -0.19 -0.39 -1.07 0.00 0.00 179.97 179.58 2jxj h VAL 86 N -0.51 1.25 0.00 2.04 -1.51 -1.93 -1.22 116.25 114.38 2jxj h VAL 86 Ca -0.02 -1.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2jxj h VAL 86 Cb 0.93 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2jxj h VAL 86 CO 0.04 0.38 -0.00 -0.09 -1.23 0.00 0.00 177.57 176.67 2jxj h ARG 87 N 0.49 -0.00 -0.38 5.19 2.43 -1.86 -1.12 114.38 119.13 2jxj h ARG 87 Ca 0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2jxj h ARG 87 Cb 0.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2jxj h ARG 87 CO 0.04 0.19 0.09 1.25 -1.51 0.00 0.00 179.97 180.04 2jxj h LEU 88 N -0.20 0.57 -1.08 3.80 5.85 -1.41 -2.85 115.31 120.00 2jxj h LEU 88 Ca -0.00 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2jxj h LEU 88 Cb 0.20 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2jxj h LEU 88 CO 0.00 0.65 0.62 0.44 -0.34 0.00 0.00 178.44 179.82 2jxj h ASP 89 N 0.46 1.00 -0.80 1.25 5.19 -1.17 -1.90 116.42 120.45 2jxj h ASP 89 Ca 0.12 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2jxj h ASP 89 Cb 0.30 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 2jxj h ASP 89 CO 0.00 0.66 0.51 0.15 -3.12 0.00 0.00 179.24 177.44 2jxj h PHE 90 N 1.14 0.96 -0.26 4.55 3.04 -0.97 -1.46 116.94 123.94 2jxj h PHE 90 Ca 0.40 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.35 2jxj h PHE 90 Cb 0.11 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2jxj h PHE 90 CO -0.00 0.55 0.06 -0.07 -2.02 0.00 0.00 178.31 176.83 2jxj h LEU 91 N 1.00 0.34 -0.20 0.59 3.38 -1.21 -2.16 115.31 117.05 2jxj h LEU 91 Ca 0.32 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2jxj h LEU 91 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jxj h LEU 91 CO -0.11 0.36 -0.02 -0.78 0.09 0.00 0.00 178.44 177.98 2jxj h ASP 92 N 0.37 0.36 -0.70 -0.43 1.82 -1.02 -0.51 116.42 116.32 2jxj h ASP 92 Ca 0.09 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.38 2jxj h ASP 92 Cb 0.16 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2jxj h ASP 92 CO -0.00 0.61 0.38 1.56 -1.61 0.00 0.00 179.24 180.18 2jxj h GLN 93 N 0.10 0.97 -0.26 0.28 1.08 -1.13 0.55 115.11 116.71 2jxj h GLN 93 Ca 0.05 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 2jxj h GLN 93 Cb 0.44 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2jxj h GLN 93 CO 0.01 0.72 -0.02 1.25 -0.95 0.00 0.00 178.83 179.85 2jxj h LEU 94 N 0.96 0.46 -0.46 1.46 5.85 -1.34 0.46 115.31 122.69 2jxj h LEU 94 Ca 0.25 -0.32 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 2jxj h LEU 94 Cb 0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2jxj h LEU 94 CO -0.04 0.67 -0.43 0.00 -0.34 0.00 0.00 178.44 178.30 2jxj h ALA 95 N 0.80 0.64 -0.05 1.25 0.00 -0.89 -1.66 119.26 119.35 2jxj h ALA 95 Ca 0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2jxj h ALA 95 Cb 0.45 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jxj h ALA 95 CO 0.02 0.67 -0.48 0.87 0.00 0.00 0.00 179.25 180.33 2jxj h LYS 96 N 0.64 0.41 -0.06 0.00 1.57 0.15 -1.66 116.57 117.63 2jxj h LYS 96 Ca 0.04 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2jxj h LYS 96 Cb 1.00 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2jxj h LYS 96 CO 0.10 1.03 0.03 0.35 -0.57 0.00 0.00 179.45 180.38 2jxj h PHE 97 N -0.07 0.09 -0.19 -1.35 3.04 -0.11 -2.77 116.94 115.58 2jxj h PHE 97 Ca -0.05 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.82 2jxj h PHE 97 Cb 1.15 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 2jxj h PHE 97 CO 0.13 0.18 -0.22 -1.49 -2.02 0.00 0.00 178.31 174.89 2jxj h TRP 98 N -0.02 0.37 -0.97 0.41 4.06 -1.40 -2.84 115.95 115.57 2jxj h TRP 98 Ca 0.02 -0.07 0.10 0.00 2.06 0.00 0.00 58.89 61.00 2jxj h TRP 98 Cb 0.12 -0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.11 2jxj h TRP 98 CO -0.03 0.55 0.62 0.93 -3.56 0.00 0.00 178.44 176.94 2jxj h GLU 99 N 0.31 0.98 -0.41 0.49 5.08 -1.02 -0.25 114.58 119.76 2jxj h GLU 99 Ca 0.05 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jxj h GLU 99 Cb 0.57 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2jxj h GLU 99 CO 0.04 0.65 0.28 -0.07 -1.00 0.00 0.00 179.01 178.91 2jxj h LEU 100 N 1.01 0.39 -0.21 1.33 4.07 -1.31 -2.27 115.31 118.32 2jxj h LEU 100 Ca 0.45 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.31 2jxj h LEU 100 Cb 0.37 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 2jxj h LEU 100 CO -0.21 0.27 -0.23 1.56 -1.08 0.00 0.00 178.44 178.75 2jxj h GLN 101 N 0.45 0.53 0.00 1.13 7.50 -1.15 -3.48 115.11 120.10 2jxj h GLN 101 Ca 0.17 -0.29 0.00 0.00 0.50 0.00 0.00 58.65 59.03 2jxj h GLN 101 Cb 0.10 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2jxj h GLN 101 CO -0.04 0.88 0.00 0.41 -1.50 0.00 0.00 178.83 178.58 2jxj n GLY 102 N 0.21 1.77 0.05 3.46 0.00 -0.85 -5.02 105.19 104.81 2jxj n GLY 102 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jxj n GLY 102 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxj n SER 103 N 0.00 0.90 -1.47 1.61 2.88 -1.24 -5.07 113.62 111.23 2jxj n SER 103 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jxj n SER 103 Cb 0.00 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 2jxj n SER 103 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jxj n THR 104 N -2.37 -5.57 -2.64 2.46 -1.04 -1.26 -4.87 114.28 98.98 2jxj n THR 104 Ca -0.15 2.12 -0.42 0.00 -2.04 0.00 0.00 64.05 63.55 2jxj n THR 104 Cb 0.75 -3.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.08 2jxj n THR 104 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jxj s LEU 105 N -1.56 4.28 -0.05 -4.42 2.96 -1.26 -4.98 118.68 113.64 2jxj s LEU 105 Ca 0.00 1.63 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 2jxj s LEU 105 Cb 0.00 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.14 2jxj s LEU 105 CO 0.00 -0.44 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.91 2jxj s LYS 106 N 1.83 1.66 -0.50 1.98 1.02 -1.26 -5.04 119.74 119.44 2jxj s LYS 106 Ca 0.51 -0.47 -0.08 0.00 0.02 0.00 0.00 55.97 55.95 2jxj s LYS 106 Cb -0.20 -1.40 0.13 0.00 -0.52 0.00 0.00 37.83 35.83 2jxj s LYS 106 CO 0.21 0.11 0.35 0.42 -0.92 0.00 0.00 175.35 175.52 2jxj s ILE 107 N 0.40 4.08 1.24 2.17 1.09 -1.26 -5.07 121.20 123.85 2jxj s ILE 107 Ca -0.10 -1.99 -0.19 0.00 -1.10 0.00 0.00 60.65 57.27 2jxj s ILE 107 Cb -0.14 -3.69 0.30 0.00 -1.06 0.00 0.00 42.46 37.88 2jxj s ILE 107 CO 0.03 -0.79 1.05 -2.84 -0.10 0.00 0.00 174.94 172.29 2jxj s PRO 108 N 1.12 -1.51 -0.15 2.79 0.02 -1.26 -4.96 135.00 131.04 2jxj s PRO 108 Ca 0.08 0.14 0.01 0.00 0.02 0.00 0.00 61.00 61.25 2jxj s PRO 108 Cb -0.24 -1.54 0.02 0.00 0.02 0.00 0.00 34.50 32.75 2jxj s PRO 108 CO -0.02 -3.95 -0.17 0.08 -0.33 0.00 0.00 177.00 172.62 2jxj s VAL 109 N -2.74 1.75 -0.22 3.83 1.01 -1.26 -4.06 120.40 118.71 2jxj s VAL 109 Ca 0.69 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jxj s VAL 109 Cb -0.13 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2jxj s VAL 109 CO 0.58 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 175.47 2jxj s VAL 110 N 1.33 3.76 -1.38 2.92 1.01 -0.17 -4.60 120.40 123.28 2jxj s VAL 110 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2jxj s VAL 110 Cb -0.13 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.57 2jxj s VAL 110 CO -0.10 0.41 0.92 -0.62 0.00 0.00 0.00 175.10 175.71 2jxj n GLU 111 N 4.57 -5.87 -2.19 2.72 1.02 -1.26 -0.88 120.64 118.75 2jxj n GLU 111 Ca -0.17 0.68 -0.18 0.00 -0.02 0.00 0.00 57.16 57.47 2jxj n GLU 111 Cb 0.51 -5.49 -0.03 0.00 -0.02 0.00 0.00 31.44 26.41 2jxj n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jxj n ARG 112 N -4.51 -1.76 -4.09 3.49 1.74 -1.26 -4.95 116.66 105.31 2jxj n ARG 112 Ca -0.14 0.91 -0.15 0.00 -0.77 0.00 0.00 57.85 57.71 2jxj n ARG 112 Cb 0.61 -5.48 -0.14 0.00 -1.02 0.00 0.00 32.46 26.43 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2jxj s LYS 113 N -4.66 0.33 0.28 5.56 2.20 -0.06 -5.13 119.74 118.26 2jxj s LYS 113 Ca 0.00 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 2jxj s LYS 113 Cb 0.00 -0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 35.91 2jxj s LYS 113 CO 0.00 0.08 1.25 0.42 -0.36 0.00 0.00 175.35 176.74 2jxj s ILE 114 N -0.14 3.06 -0.40 5.43 1.09 -1.26 -0.99 121.20 127.98 2jxj s ILE 114 Ca 0.01 1.01 -0.24 0.00 -1.10 0.00 0.00 60.65 60.33 2jxj s ILE 114 Cb -0.02 -3.64 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2jxj s ILE 114 CO -0.00 0.22 0.82 -0.22 -0.10 0.00 0.00 174.94 175.65 2jxj s LEU 115 N -1.26 4.13 0.73 2.97 1.98 -1.26 -4.90 118.68 121.07 2jxj s LEU 115 Ca 0.50 0.23 -0.13 0.00 -2.89 0.00 0.00 54.13 51.84 2jxj s LEU 115 Cb -0.37 -3.06 0.04 0.00 0.66 0.00 0.00 46.19 43.46 2jxj s LEU 115 CO 0.46 -0.83 1.11 -0.62 -1.89 0.00 0.00 176.35 174.57 2jxj s ASP 116 N 1.98 4.67 0.02 3.68 -1.08 -1.26 -4.99 116.67 119.69 2jxj s ASP 116 Ca 0.32 1.94 -0.04 0.00 -0.52 0.00 0.00 52.55 54.26 2jxj s ASP 116 Cb -0.12 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 2jxj s ASP 116 CO 0.20 -1.93 -0.07 0.18 0.52 0.00 0.00 175.17 174.07 2jxj n LEU 117 N -3.06 1.13 0.01 -1.34 4.32 -1.26 -4.34 117.00 112.47 2jxj n LEU 117 Ca 0.10 0.16 -0.10 0.00 -0.02 0.00 0.00 56.01 56.15 2jxj n LEU 117 Cb 0.52 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.91 2jxj n LEU 117 CO 0.51 -0.52 0.80 0.22 -1.22 0.00 0.00 177.39 177.17 2jxj h TYR 118 N -0.21 -0.25 -0.45 -1.77 3.20 -1.95 0.16 116.97 115.72 2jxj h TYR 118 Ca -0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2jxj h TYR 118 Cb 0.37 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2jxj h TYR 118 CO -0.08 -0.15 0.23 0.00 -1.64 0.00 0.00 178.16 176.52 2jxj h ALA 119 N 0.94 0.58 -0.10 1.82 0.00 -2.00 -2.01 119.26 118.49 2jxj h ALA 119 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jxj h ALA 119 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jxj h ALA 119 CO -0.17 0.12 0.06 1.25 0.00 0.00 0.00 179.25 180.51 2jxj h LEU 120 N 0.59 0.12 -1.44 0.00 7.12 -1.67 -1.65 115.31 118.37 2jxj h LEU 120 Ca 0.16 -0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.16 2jxj h LEU 120 Cb 0.09 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.16 2jxj h LEU 120 CO -0.02 0.12 0.42 -1.28 -0.13 0.00 0.00 178.44 177.55 2jxj h SER 121 N 0.10 0.62 -0.17 1.25 0.87 -0.57 -2.03 113.55 113.62 2jxj h SER 121 Ca 0.04 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2jxj h SER 121 Cb 0.03 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2jxj h SER 121 CO -0.01 0.43 -0.06 0.11 -0.53 0.00 0.00 176.83 176.77 2jxj h LYS 122 N 0.72 0.34 -0.99 2.24 1.57 -0.95 -2.75 116.57 116.75 2jxj h LYS 122 Ca 0.26 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2jxj h LYS 122 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 2jxj h LYS 122 CO -0.07 0.63 0.65 0.82 -0.57 0.00 0.00 179.45 180.91 2jxj h ILE 123 N 0.03 1.19 0.02 1.86 2.04 -0.84 -1.33 117.51 120.47 2jxj h ILE 123 Ca 0.04 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jxj h ILE 123 Cb 0.52 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2jxj h ILE 123 CO 0.02 0.23 -0.01 0.58 0.00 0.00 0.00 178.15 178.97 2jxj h VAL 124 N 1.27 1.06 -0.84 1.67 2.07 -1.34 -2.89 116.25 117.25 2jxj h VAL 124 Ca 0.39 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2jxj h VAL 124 Cb -0.03 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2jxj h VAL 124 CO -0.11 0.07 0.52 0.00 0.02 0.00 0.00 177.57 178.07 2jxj h ALA 125 N 0.83 1.35 -0.22 1.67 0.00 -1.19 -1.61 119.26 120.08 2jxj h ALA 125 Ca -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jxj h ALA 125 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jxj h ALA 125 CO 0.01 0.58 0.21 0.66 0.00 0.00 0.00 179.25 180.70 2jxj h SER 126 N 1.15 0.00 1.16 0.00 4.64 -1.04 0.88 113.55 120.33 2jxj h SER 126 Ca 0.30 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.49 2jxj h SER 126 Cb -0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2jxj h SER 126 CO -0.06 0.00 -0.88 0.11 -0.87 0.00 0.00 176.83 175.13 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.57 -1.19 -3.47 116.57 118.25 2jxj h LYS 127 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jxj h LYS 127 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jxj h LYS 127 CO -0.00 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 179.74 2jxj n GLY 128 N 1.30 0.51 0.00 3.86 0.00 0.30 -4.76 105.19 106.39 2jxj n GLY 128 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jxj n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxj n GLY 129 N 0.00 2.29 0.06 -0.02 0.00 -1.03 -4.90 105.19 101.59 2jxj n GLY 129 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2jxj n GLY 129 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jxj n PHE 130 N 0.00 -1.79 -0.33 1.61 -0.00 -1.26 -4.06 117.46 111.62 2jxj n PHE 130 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 57.45 57.51 2jxj n PHE 130 Cb 0.00 0.42 0.21 0.00 -0.00 0.00 0.00 39.48 40.11 2jxj n PHE 130 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2jxj h GLU 131 N 0.00 1.07 -0.72 -4.13 5.08 -1.96 -1.24 114.58 112.68 2jxj h GLU 131 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jxj h GLU 131 Cb 0.00 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 2jxj h GLU 131 CO 0.00 0.71 0.42 0.52 -1.00 0.00 0.00 179.01 179.66 2jxj h MET 132 N 1.10 0.99 -0.31 2.33 2.86 -1.90 0.21 114.93 120.20 2jxj h MET 132 Ca 0.41 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2jxj h MET 132 Cb 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jxj h MET 132 CO -0.16 0.70 -0.05 0.28 1.06 0.00 0.00 176.91 178.75 2jxj h VAL 133 N 1.00 1.27 -0.18 -2.22 2.07 -1.55 -0.79 116.25 115.85 2jxj h VAL 133 Ca 0.26 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 2jxj h VAL 133 Cb -0.02 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jxj h VAL 133 CO -0.05 0.34 -0.13 0.74 0.02 0.00 0.00 177.57 178.49 2jxj h THR 134 N 0.37 1.32 -0.53 2.57 2.02 -1.03 0.85 112.91 118.48 2jxj h THR 134 Ca 0.08 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2jxj h THR 134 Cb 0.52 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 2jxj h THR 134 CO 0.03 0.37 0.25 0.11 0.37 0.00 0.00 175.52 176.65 2jxj h LYS 135 N 0.08 0.74 0.00 6.66 1.79 -0.61 -2.25 116.57 122.98 2jxj h LYS 135 Ca 0.04 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2jxj h LYS 135 Cb 0.65 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2jxj h LYS 135 CO 0.04 0.57 -0.94 0.93 -1.08 0.00 0.00 179.45 178.97 2jxj h GLU 136 N 0.74 0.00 -3.45 3.15 5.08 -1.06 -3.48 114.58 115.55 2jxj h GLU 136 Ca 0.18 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.30 2jxj h GLU 136 Cb 0.08 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.39 2jxj h GLU 136 CO -0.02 0.00 -0.39 1.17 -1.00 0.00 0.00 179.01 178.76 2jxj n LYS 137 N -2.65 -3.97 -0.71 2.33 4.81 0.28 -4.92 118.16 113.33 2jxj n LYS 137 Ca 0.00 0.53 0.07 0.00 -0.87 0.00 0.00 58.31 58.04 2jxj n LYS 137 Cb 0.54 -4.61 0.35 0.00 0.02 0.00 0.00 35.03 31.33 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jxj n LYS 138 N -3.00 4.10 0.00 1.64 5.02 -0.31 -4.35 118.16 121.26 2jxj n LYS 138 Ca -0.03 -2.70 -0.04 0.00 -2.02 0.00 0.00 58.31 53.53 2jxj n LYS 138 Cb 0.55 -2.06 0.20 0.00 -0.02 0.00 0.00 35.03 33.70 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jxj h TRP 139 N 3.56 0.58 -0.90 2.13 4.06 -1.92 -2.85 115.95 120.62 2jxj h TRP 139 Ca 0.00 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.84 2jxj h TRP 139 Cb 1.64 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 29.62 2jxj h TRP 139 CO 0.87 0.71 0.59 0.77 -3.56 0.00 0.00 178.44 177.82 2jxj h SER 140 N 0.46 1.03 -0.12 -3.49 0.02 -1.89 -1.55 113.55 107.99 2jxj h SER 140 Ca 0.07 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2jxj h SER 140 Cb 0.65 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jxj h SER 140 CO 0.05 0.74 0.03 0.11 -1.14 0.00 0.00 176.83 176.61 2jxj h LYS 141 N 1.21 0.29 -0.08 3.45 1.57 -1.82 -2.66 116.57 118.52 2jxj h LYS 141 Ca 0.33 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2jxj h LYS 141 Cb -0.13 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2jxj h LYS 141 CO -0.07 0.29 0.03 0.28 -0.57 0.00 0.00 179.45 179.41 2jxj h VAL 142 N 0.29 1.15 -0.25 0.50 2.07 -1.29 -2.48 116.25 116.24 2jxj h VAL 142 Ca 0.07 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2jxj h VAL 142 Cb 0.15 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2jxj h VAL 142 CO 0.00 0.13 0.08 1.23 0.02 0.00 0.00 177.57 179.04 2jxj h GLY 143 N -0.04 0.38 0.96 2.17 0.00 -1.37 -2.50 103.07 102.67 2jxj h GLY 143 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 2jxj h GLY 143 CO -0.00 0.16 0.02 1.76 0.00 0.00 0.00 176.54 178.48 2jxj h SER 144 N 0.35 0.72 -0.03 0.19 0.02 -1.25 -1.79 113.55 111.77 2jxj h SER 144 Ca 0.09 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2jxj h SER 144 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2jxj h SER 144 CO -0.01 0.84 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.40 2jxj h ARG 145 N 0.59 0.16 -0.02 3.45 2.43 -1.01 -1.81 114.38 118.17 2jxj h ARG 145 Ca 0.12 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 2jxj h ARG 145 Cb 0.46 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2jxj h ARG 145 CO 0.02 0.21 -0.70 -0.07 -1.51 0.00 0.00 179.97 177.91 2jxj h LEU 146 N 0.16 0.13 0.00 3.80 3.38 -1.21 -3.47 115.31 118.09 2jxj h LEU 146 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jxj h LEU 146 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jxj h LEU 146 CO 0.01 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2jxj n GLY 147 N 0.48 0.90 3.93 0.83 0.00 -0.68 -5.12 105.19 105.53 2jxj n GLY 147 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2jxj n GLY 147 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxj s TYR 148 N -0.88 3.39 0.14 1.61 1.51 -0.72 -5.01 117.35 117.39 2jxj s TYR 148 Ca 0.00 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2jxj s TYR 148 Cb 0.00 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2jxj s TYR 148 CO 0.00 0.47 0.18 -0.51 -1.11 0.00 0.00 175.55 174.58 2jxj s LEU 149 N -3.80 4.00 0.17 -1.29 1.43 -1.26 -4.71 118.68 113.23 2jxj s LEU 149 Ca 0.34 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.14 2jxj s LEU 149 Cb -0.09 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.43 2jxj s LEU 149 CO 0.28 0.09 1.37 -2.16 0.23 0.00 0.00 176.35 176.16 2jxj s PRO 150 N -2.99 4.34 0.00 1.29 0.04 -1.26 -4.96 135.00 131.46 2jxj s PRO 150 Ca 0.32 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2jxj s PRO 150 Cb -0.11 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2jxj s PRO 150 CO 0.25 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2jxj n GLY 151 N 2.87 -1.23 3.87 0.56 0.00 -1.26 -5.15 105.19 104.85 2jxj n GLY 151 Ca 0.09 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 2jxj n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxj s LYS 152 N -0.28 3.66 -0.30 1.61 1.02 -1.26 -4.74 119.74 119.44 2jxj s LYS 152 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 2jxj s LYS 152 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2jxj s LYS 152 CO 0.00 0.66 0.02 0.41 -0.92 0.00 0.00 175.35 175.52 2jxj n GLY 153 N 1.34 -4.40 2.09 -3.33 0.00 -1.26 -5.00 105.19 94.62 2jxj n GLY 153 Ca -0.12 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2jxj n GLY 153 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jxj n THR 154 N 0.77 0.00 -0.27 2.61 -1.04 -1.26 -4.90 114.28 110.18 2jxj n THR 154 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 2jxj n THR 154 Cb 0.04 -0.03 0.15 0.00 -1.82 0.00 0.00 70.33 68.67 2jxj n THR 154 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2jxj h GLY 155 N 0.00 1.20 1.60 3.41 0.00 -1.93 -2.25 103.07 105.10 2jxj h GLY 155 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 2jxj h GLY 155 CO 0.00 0.52 -0.16 1.76 0.00 0.00 0.00 176.54 178.66 2jxj h SER 156 N 1.13 0.47 -0.27 0.19 0.02 -1.96 -2.62 113.55 110.52 2jxj h SER 156 Ca 0.29 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2jxj h SER 156 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2jxj h SER 156 CO -0.05 0.66 0.04 -0.07 -1.14 0.00 0.00 176.83 176.27 2jxj h LEU 157 N 0.44 0.43 -1.39 5.07 4.07 -1.77 -2.01 115.31 120.14 2jxj h LEU 157 Ca 0.08 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2jxj h LEU 157 Cb 0.54 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 2jxj h LEU 157 CO 0.03 0.58 0.29 -0.07 -1.08 0.00 0.00 178.44 178.20 2jxj h LEU 158 N 0.25 0.62 -0.58 1.67 3.38 -1.30 -1.68 115.31 117.68 2jxj h LEU 158 Ca 0.08 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2jxj h LEU 158 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jxj h LEU 158 CO 0.01 0.50 -0.31 0.50 0.09 0.00 0.00 178.44 179.23 2jxj h LYS 159 N 0.72 0.81 -0.26 1.13 3.11 -1.24 -1.57 116.57 119.27 2jxj h LYS 159 Ca 0.19 -0.37 -0.04 0.00 -2.81 0.00 0.00 60.65 57.61 2jxj h LYS 159 Cb 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2jxj h LYS 159 CO -0.03 1.00 -0.02 0.77 -2.81 0.00 0.00 179.45 178.36 2jxj h SER 160 N 0.68 0.46 -0.52 4.20 0.02 -0.73 -1.56 113.55 116.09 2jxj h SER 160 Ca 0.08 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2jxj h SER 160 Cb 0.85 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2jxj h SER 160 CO 0.07 0.67 0.17 0.45 -1.14 0.00 0.00 176.83 177.05 2jxj h HIS 161 N 0.23 0.84 -0.45 3.45 3.86 -1.30 -2.68 115.15 119.09 2jxj h HIS 161 Ca 0.07 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2jxj h HIS 161 Cb 0.45 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2jxj h HIS 161 CO 0.04 0.72 0.13 -0.92 0.86 0.00 0.00 177.93 178.76 2jxj h TYR 162 N 0.72 0.68 -1.26 2.45 3.20 -1.23 -2.67 116.97 118.85 2jxj h TYR 162 Ca 0.17 -0.04 -0.63 0.00 3.14 0.00 0.00 58.73 61.36 2jxj h TYR 162 Cb 0.27 -0.21 -0.24 0.00 1.54 0.00 0.00 36.73 38.09 2jxj h TYR 162 CO 0.01 0.57 0.80 -1.91 -1.64 0.00 0.00 178.16 175.99 2jxj n GLU 163 N -4.32 2.54 0.00 1.82 4.07 -0.59 0.90 120.64 125.06 2jxj n GLU 163 Ca 0.03 -2.97 0.00 0.00 -0.06 0.00 0.00 57.16 54.16 2jxj n GLU 163 Cb 0.19 -2.16 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 2jxj n GLU 163 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jxj n ARG 164 N -0.34 0.00 0.00 5.31 1.74 -1.01 -4.84 116.66 117.52 2jxj n ARG 164 Ca 0.53 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2jxj n ARG 164 Cb 0.49 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2jxj n ILE 165 N -2.32 0.00 0.00 0.55 -0.00 -1.23 -4.76 119.36 111.60 2jxj n ILE 165 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2jxj n ILE 165 Cb 0.13 -0.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.59 2jxj n ILE 165 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2jxj n LEU 166 N -1.43 0.58 0.06 1.39 4.32 -1.22 -2.71 117.00 117.99 2jxj n LEU 166 Ca 0.00 0.56 -0.11 0.00 -0.02 0.00 0.00 56.01 56.44 2jxj n LEU 166 Cb 0.13 -0.30 -0.04 0.00 -1.62 0.00 0.00 43.42 41.59 2jxj n LEU 166 CO 0.00 -0.30 0.71 0.22 -1.22 0.00 0.00 177.39 176.81 2jxj h TYR 167 N 0.00 -0.59 -0.32 -1.77 3.20 0.21 -2.01 116.97 115.69 2jxj h TYR 167 Ca 0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2jxj h TYR 167 Cb 0.00 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2jxj h TYR 167 CO 0.07 -0.31 0.35 -1.00 -1.64 0.00 0.00 178.16 175.63 2jxj h PRO 168 N -0.35 0.00 0.22 1.82 0.13 -1.74 -2.17 132.00 129.91 2jxj h PRO 168 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2jxj h PRO 168 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2jxj h PRO 168 CO -0.20 0.00 -0.17 -0.92 -0.23 0.00 0.00 178.00 176.48 2jxj h TYR 169 N 0.00 -0.43 -0.22 1.56 3.20 -1.15 -1.72 116.97 118.21 2jxj h TYR 169 Ca 0.15 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2jxj h TYR 169 Cb 0.84 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2jxj h TYR 169 CO 0.00 -0.26 -0.06 1.49 -1.64 0.00 0.00 178.16 177.69 2jxj h GLU 170 N -0.39 -0.02 -0.70 1.82 4.57 -1.46 -1.27 114.58 117.13 2jxj h GLU 170 Ca -0.01 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 2jxj h GLU 170 Cb 0.35 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 2jxj h GLU 170 CO -0.00 -0.01 0.47 -0.07 -1.18 0.00 0.00 179.01 178.22 2jxj h LEU 171 N -0.02 0.37 -1.03 1.64 3.38 -1.50 0.86 115.31 119.01 2jxj h LEU 171 Ca 0.11 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jxj h LEU 171 Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jxj h LEU 171 CO -0.23 0.20 -0.38 0.15 0.09 0.00 0.00 178.44 178.27 2jxj h PHE 172 N 0.40 0.23 -0.36 1.13 3.04 -0.30 0.71 116.94 121.79 2jxj h PHE 172 Ca 0.34 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.17 2jxj h PHE 172 Cb 0.77 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 2jxj h PHE 172 CO -0.00 0.56 -0.01 1.96 -2.02 0.00 0.00 178.31 178.80 2jxj h GLN 173 N 0.17 0.64 0.00 1.11 1.08 -0.39 -3.43 115.11 114.30 2jxj h GLN 173 Ca 0.02 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2jxj h GLN 173 Cb 0.76 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2jxj h GLN 173 CO 0.06 0.76 -0.00 0.43 -0.95 0.00 0.00 178.83 179.13 2jxj n SER 174 N -4.48 -0.00 0.00 1.46 7.64 -1.07 -5.14 113.62 112.03 2jxj n SER 174 Ca -0.02 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2jxj n SER 174 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64