#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 2.70 -1.72 1.61 0.04 -1.26 -3.38 135.00 132.99 2jxj s PRO 81 Ca 0.00 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 2jxj s PRO 81 Cb 0.00 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2jxj s PRO 81 CO 0.00 -2.94 0.15 1.28 0.04 0.00 0.00 177.00 175.52 2jxj n LEU 82 N 12.82 -2.12 0.00 -3.56 4.77 -1.26 -3.24 117.00 124.40 2jxj n LEU 82 Ca 0.29 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2jxj n LEU 82 Cb 0.50 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 2jxj n LEU 82 CO 0.66 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2jxj n GLY 83 N -1.14 2.04 1.59 -0.72 0.00 -1.22 -3.91 105.19 101.83 2jxj n GLY 83 Ca -0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 2jxj n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxj n SER 84 N 3.92 -0.50 0.01 1.61 2.88 -1.22 -2.63 113.62 117.70 2jxj n SER 84 Ca 0.00 -1.26 -0.12 0.00 -1.33 0.00 0.00 58.87 56.16 2jxj n SER 84 Cb 0.00 0.22 -0.08 0.00 -0.75 0.00 0.00 64.21 63.59 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jxj h ARG 85 N 0.27 0.01 -0.63 -1.46 3.08 -1.67 -1.64 114.38 112.34 2jxj h ARG 85 Ca -0.18 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2jxj h ARG 85 Cb 1.04 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2jxj h ARG 85 CO -0.08 0.24 0.33 -0.39 -1.07 0.00 0.00 179.97 178.99 2jxj h VAL 86 N -0.22 1.20 -0.44 2.04 -1.51 -1.94 -1.46 116.25 113.92 2jxj h VAL 86 Ca 0.00 -0.52 -0.05 0.00 -1.23 0.00 0.00 66.70 64.90 2jxj h VAL 86 Cb 0.23 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 2jxj h VAL 86 CO 0.00 0.22 0.07 0.03 -1.23 0.00 0.00 177.57 176.66 2jxj h ARG 87 N 0.88 0.73 -0.41 5.19 3.08 -1.89 -2.27 114.38 119.69 2jxj h ARG 87 Ca 0.22 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2jxj h ARG 87 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2jxj h ARG 87 CO -0.03 0.76 0.08 1.25 -1.07 0.00 0.00 179.97 180.96 2jxj h LEU 88 N 0.59 0.65 -0.73 3.04 6.46 -0.92 -2.85 115.31 121.54 2jxj h LEU 88 Ca 0.13 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 2jxj h LEU 88 Cb 0.39 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2jxj h LEU 88 CO 0.01 0.73 0.45 0.44 -0.62 0.00 0.00 178.44 179.45 2jxj h ASP 89 N 0.54 0.71 -0.70 1.25 3.32 -1.18 -1.86 116.42 118.49 2jxj h ASP 89 Ca 0.13 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2jxj h ASP 89 Cb 0.36 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2jxj h ASP 89 CO 0.01 0.47 0.44 0.15 -1.72 0.00 0.00 179.24 178.59 2jxj h PHE 90 N 0.85 0.83 -0.31 4.55 3.57 -1.26 -1.78 116.94 123.39 2jxj h PHE 90 Ca 0.31 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 2jxj h PHE 90 Cb 0.10 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2jxj h PHE 90 CO -0.05 0.47 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.37 2jxj h LEU 91 N 0.86 0.48 -0.79 0.59 4.07 -1.18 -2.55 115.31 116.79 2jxj h LEU 91 Ca 0.28 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 2jxj h LEU 91 Cb 0.02 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2jxj h LEU 91 CO -0.11 0.59 -0.18 0.44 -1.08 0.00 0.00 178.44 178.10 2jxj h ASP 92 N 0.47 0.72 -0.14 -0.43 5.19 -0.56 -1.60 116.42 120.08 2jxj h ASP 92 Ca 0.10 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 2jxj h ASP 92 Cb 0.41 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2jxj h ASP 92 CO 0.02 0.90 -0.01 1.56 -3.12 0.00 0.00 179.24 178.59 2jxj h GLN 93 N 0.64 0.25 -0.66 3.56 1.08 -1.01 0.21 115.11 119.17 2jxj h GLN 93 Ca 0.10 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2jxj h GLN 93 Cb 0.66 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2jxj h GLN 93 CO 0.05 0.50 0.30 1.25 -0.95 0.00 0.00 178.83 179.99 2jxj h LEU 94 N -0.03 0.88 -0.17 1.46 6.46 -1.41 0.12 115.31 122.62 2jxj h LEU 94 Ca 0.04 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 2jxj h LEU 94 Cb 0.40 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2jxj h LEU 94 CO 0.01 0.78 -0.19 0.00 -0.62 0.00 0.00 178.44 178.42 2jxj h ALA 95 N 1.14 0.25 -0.48 1.25 0.00 -1.24 -2.15 119.26 118.02 2jxj h ALA 95 Ca 0.23 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jxj h ALA 95 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jxj h ALA 95 CO -0.03 0.18 0.02 0.87 0.00 0.00 0.00 179.25 180.29 2jxj h LYS 96 N 0.07 0.78 -0.04 0.00 1.57 -0.47 -0.18 116.57 118.28 2jxj h LYS 96 Ca 0.02 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2jxj h LYS 96 Cb 0.74 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2jxj h LYS 96 CO 0.05 0.77 -0.01 0.35 -0.57 0.00 0.00 179.45 180.04 2jxj h PHE 97 N 0.73 0.09 -0.42 -1.35 3.57 -0.74 -2.90 116.94 115.93 2jxj h PHE 97 Ca 0.15 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2jxj h PHE 97 Cb 0.42 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2jxj h PHE 97 CO 0.02 0.41 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.94 2jxj h TRP 98 N -0.25 0.78 -0.85 0.41 4.06 -1.31 -2.91 115.95 115.88 2jxj h TRP 98 Ca 0.01 -0.13 0.08 0.00 2.06 0.00 0.00 58.89 60.91 2jxj h TRP 98 Cb 0.38 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 28.27 2jxj h TRP 98 CO 0.05 0.78 0.51 0.93 -3.56 0.00 0.00 178.44 177.15 2jxj h GLU 99 N 0.66 0.85 -0.25 0.49 5.08 -0.98 0.01 114.58 120.45 2jxj h GLU 99 Ca 0.12 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2jxj h GLU 99 Cb 0.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jxj h GLU 99 CO 0.03 0.57 0.17 -0.07 -1.00 0.00 0.00 179.01 178.70 2jxj h LEU 100 N 0.88 0.18 -0.07 1.33 3.38 -1.30 -2.18 115.31 117.54 2jxj h LEU 100 Ca 0.40 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.23 2jxj h LEU 100 Cb 0.29 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jxj h LEU 100 CO -0.22 0.13 -0.46 1.56 0.09 0.00 0.00 178.44 179.54 2jxj h GLN 101 N 0.21 0.43 0.00 1.13 7.50 -1.06 -3.48 115.11 119.84 2jxj h GLN 101 Ca 0.10 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.88 2jxj h GLN 101 Cb 0.15 0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.77 2jxj h GLN 101 CO -0.02 1.02 0.00 0.41 -1.50 0.00 0.00 178.83 178.74 2jxj n GLY 102 N 0.79 0.52 0.00 3.46 0.00 -0.73 -5.14 105.19 104.08 2jxj n GLY 102 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jxj n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxj n SER 103 N 0.00 0.00 -3.66 1.61 3.41 -1.08 -4.95 113.62 108.95 2jxj n SER 103 Ca 0.00 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.26 2jxj n SER 103 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2jxj n SER 103 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2jxj s THR 104 N 1.16 -0.01 -0.05 6.66 2.01 -1.26 -3.53 115.64 120.62 2jxj s THR 104 Ca 0.00 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2jxj s THR 104 Cb 0.00 -0.86 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 2jxj s THR 104 CO 0.00 0.01 1.73 -0.22 -0.69 0.00 0.00 174.62 175.45 2jxj s LEU 105 N 1.14 4.30 -0.06 4.42 2.96 -1.26 -4.99 118.68 125.19 2jxj s LEU 105 Ca -0.07 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 2jxj s LEU 105 Cb -0.06 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2jxj s LEU 105 CO -0.11 -1.00 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.24 2jxj s LYS 106 N 4.23 1.69 -0.47 1.98 1.02 -1.26 -4.97 119.74 121.96 2jxj s LYS 106 Ca 0.77 -0.47 -0.10 0.00 0.02 0.00 0.00 55.97 56.19 2jxj s LYS 106 Cb -0.35 -1.42 0.11 0.00 -0.52 0.00 0.00 37.83 35.66 2jxj s LYS 106 CO 0.32 0.10 0.35 0.42 -0.92 0.00 0.00 175.35 175.62 2jxj s ILE 107 N 0.42 4.36 1.07 2.17 -1.09 -1.26 -5.07 121.20 121.81 2jxj s ILE 107 Ca -0.10 -1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 56.54 2jxj s ILE 107 Cb -0.14 -3.82 0.23 0.00 -1.58 0.00 0.00 42.46 37.16 2jxj s ILE 107 CO 0.03 -0.73 1.07 -2.84 -1.23 0.00 0.00 174.94 171.24 2jxj s PRO 108 N 1.41 -0.22 -0.30 2.79 0.02 -1.26 -4.91 135.00 132.52 2jxj s PRO 108 Ca 0.05 1.16 -0.05 0.00 0.02 0.00 0.00 61.00 62.18 2jxj s PRO 108 Cb -0.26 -1.61 0.03 0.00 0.02 0.00 0.00 34.50 32.67 2jxj s PRO 108 CO 0.00 -3.35 0.06 0.08 -0.33 0.00 0.00 177.00 173.46 2jxj s VAL 109 N -2.51 3.66 -0.14 3.83 1.01 -1.26 -4.19 120.40 120.80 2jxj s VAL 109 Ca 0.68 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2jxj s VAL 109 Cb -0.24 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2jxj s VAL 109 CO 0.62 -0.01 0.00 -0.69 0.00 0.00 0.00 175.10 175.03 2jxj s VAL 110 N 1.42 4.26 -1.52 2.92 1.01 -0.25 -4.48 120.40 123.76 2jxj s VAL 110 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2jxj s VAL 110 Cb -0.18 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2jxj s VAL 110 CO 0.01 0.52 0.70 -0.62 0.00 0.00 0.00 175.10 175.72 2jxj n GLU 111 N 3.07 -5.34 -3.10 2.72 -0.58 -1.26 -1.57 120.64 114.59 2jxj n GLU 111 Ca -0.18 0.88 -0.23 0.00 -0.42 0.00 0.00 57.16 57.22 2jxj n GLU 111 Cb 0.53 -5.77 0.04 0.00 -0.57 0.00 0.00 31.44 25.67 2jxj n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jxj n ARG 112 N -4.19 -5.27 -3.74 3.49 5.12 -1.26 -4.98 116.66 105.82 2jxj n ARG 112 Ca -0.09 0.90 -0.12 0.00 -1.93 0.00 0.00 57.85 56.61 2jxj n ARG 112 Cb 0.61 -5.79 -0.07 0.00 -1.16 0.00 0.00 32.46 26.04 2jxj n ARG 112 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2jxj s LYS 113 N -5.79 0.80 -0.15 5.56 1.02 -0.61 -5.14 119.74 115.43 2jxj s LYS 113 Ca 0.34 -0.40 -0.22 0.00 0.02 0.00 0.00 55.97 55.71 2jxj s LYS 113 Cb -0.15 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 2jxj s LYS 113 CO 0.42 -0.25 0.65 0.42 -0.92 0.00 0.00 175.35 175.67 2jxj s ILE 114 N -2.23 5.03 0.13 2.17 1.01 -1.26 -1.09 121.20 124.95 2jxj s ILE 114 Ca -0.07 1.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.69 2jxj s ILE 114 Cb -0.02 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2jxj s ILE 114 CO -0.01 0.16 0.55 -0.22 0.00 0.00 0.00 174.94 175.42 2jxj s LEU 115 N 1.50 4.39 0.93 2.97 2.96 -1.26 -4.99 118.68 125.17 2jxj s LEU 115 Ca 0.32 1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 55.21 2jxj s LEU 115 Cb -0.16 -3.17 0.16 0.00 0.50 0.00 0.00 46.19 43.52 2jxj s LEU 115 CO 0.12 0.15 1.23 -0.62 -1.32 0.00 0.00 176.35 175.91 2jxj s ASP 116 N -1.55 3.41 0.06 3.68 2.15 -1.26 -4.97 116.67 118.20 2jxj s ASP 116 Ca 0.35 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2jxj s ASP 116 Cb -0.16 -0.86 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 2jxj s ASP 116 CO 0.19 -2.57 0.00 0.18 -0.17 0.00 0.00 175.17 172.80 2jxj n LEU 117 N -3.72 0.61 0.00 -1.34 4.32 -1.26 -4.55 117.00 111.06 2jxj n LEU 117 Ca 0.11 0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 56.10 2jxj n LEU 117 Cb 0.60 -0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 2jxj n LEU 117 CO 0.51 -0.45 0.79 0.22 -1.22 0.00 0.00 177.39 177.25 2jxj h TYR 118 N 0.00 -0.26 -0.53 -1.77 5.03 -1.96 -1.34 116.97 116.14 2jxj h TYR 118 Ca 0.00 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.39 2jxj h TYR 118 Cb 0.41 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.76 2jxj h TYR 118 CO 0.00 -0.16 0.23 0.00 -1.32 0.00 0.00 178.16 176.91 2jxj h ALA 119 N 0.95 0.68 -0.26 1.82 0.00 -2.00 -1.88 119.26 118.57 2jxj h ALA 119 Ca 0.08 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jxj h ALA 119 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jxj h ALA 119 CO -0.19 -0.15 0.10 1.25 0.00 0.00 0.00 179.25 180.27 2jxj h LEU 120 N 0.44 0.13 -1.34 0.00 7.12 -1.69 -1.36 115.31 118.62 2jxj h LEU 120 Ca 0.25 0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.34 2jxj h LEU 120 Cb 0.23 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.32 2jxj h LEU 120 CO -0.22 0.11 0.48 -1.28 -0.13 0.00 0.00 178.44 177.41 2jxj h SER 121 N 0.23 0.71 -0.22 1.25 0.87 -0.79 -1.90 113.55 113.71 2jxj h SER 121 Ca 0.11 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2jxj h SER 121 Cb 0.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2jxj h SER 121 CO -0.10 0.47 -0.08 0.11 -0.53 0.00 0.00 176.83 176.70 2jxj h LYS 122 N 0.82 0.44 -0.63 2.24 1.79 -0.68 -2.74 116.57 117.81 2jxj h LYS 122 Ca 0.31 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2jxj h LYS 122 Cb 0.18 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 2jxj h LYS 122 CO -0.10 0.70 0.39 0.82 -1.08 0.00 0.00 179.45 180.18 2jxj h ILE 123 N 0.16 1.09 -0.01 1.86 2.04 -0.72 -1.22 117.51 120.71 2jxj h ILE 123 Ca 0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2jxj h ILE 123 Cb 0.56 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2jxj h ILE 123 CO 0.03 0.14 -0.02 0.58 0.00 0.00 0.00 178.15 178.88 2jxj h VAL 124 N 0.78 0.95 -0.88 1.67 2.07 -1.35 -2.70 116.25 116.80 2jxj h VAL 124 Ca 0.25 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.79 2jxj h VAL 124 Cb -0.00 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2jxj h VAL 124 CO -0.09 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.07 2jxj h ALA 125 N 0.99 1.15 -0.23 1.67 0.00 -1.24 -1.36 119.26 120.23 2jxj h ALA 125 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jxj h ALA 125 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jxj h ALA 125 CO -0.03 0.46 0.21 0.66 0.00 0.00 0.00 179.25 180.55 2jxj h SER 126 N 1.14 0.00 1.15 0.00 4.64 -0.91 0.68 113.55 120.26 2jxj h SER 126 Ca 0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 2jxj h SER 126 Cb -0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2jxj h SER 126 CO -0.10 0.00 -0.90 0.11 -0.87 0.00 0.00 176.83 175.08 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 6.56 -1.05 -3.47 116.57 123.38 2jxj h LYS 127 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2jxj h LYS 127 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2jxj h LYS 127 CO -0.00 0.46 0.00 0.41 -2.06 0.00 0.00 179.45 178.26 2jxj n GLY 128 N 1.30 0.45 0.00 3.86 0.00 0.23 -4.72 105.19 106.31 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 2.90 0.04 -0.02 0.00 -0.89 -4.87 105.19 102.34 2jxj n GLY 129 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.85 -0.34 1.61 7.35 -1.26 -4.09 117.46 118.88 2jxj n PHE 130 Ca 0.00 0.02 -0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2jxj n PHE 130 Cb 0.00 0.41 0.14 0.00 0.35 0.00 0.00 39.48 40.38 2jxj n PHE 130 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2jxj h GLU 131 N 0.00 1.25 -0.38 -4.13 4.39 -1.95 -1.72 114.58 112.03 2jxj h GLU 131 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2jxj h GLU 131 Cb 0.00 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.35 2jxj h GLU 131 CO 0.00 0.82 0.20 1.98 -1.16 0.00 0.00 179.01 180.85 2jxj h MET 132 N 1.28 0.52 -0.57 2.33 4.05 -1.89 -1.70 114.93 118.96 2jxj h MET 132 Ca 0.35 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.61 2jxj h MET 132 Cb -0.14 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 2jxj h MET 132 CO -0.08 0.40 -0.09 0.28 0.23 0.00 0.00 176.91 177.65 2jxj h VAL 133 N 0.53 1.27 -0.21 -5.77 2.07 -1.60 -1.60 116.25 110.93 2jxj h VAL 133 Ca 0.14 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2jxj h VAL 133 Cb 0.04 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2jxj h VAL 133 CO -0.02 0.45 -0.06 0.74 0.02 0.00 0.00 177.57 178.70 2jxj h THR 134 N 0.94 1.29 -0.73 2.57 2.02 -1.15 0.66 112.91 118.51 2jxj h THR 134 Ca 0.15 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2jxj h THR 134 Cb 0.66 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2jxj h THR 134 CO 0.05 0.32 0.37 0.11 0.37 0.00 0.00 175.52 176.74 2jxj h LYS 135 N 0.12 1.02 0.00 6.66 1.57 -1.29 -2.21 116.57 122.44 2jxj h LYS 135 Ca 0.05 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jxj h LYS 135 Cb 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jxj h LYS 135 CO 0.02 0.77 -0.52 0.93 -0.57 0.00 0.00 179.45 180.08 2jxj h GLU 136 N 1.02 0.00 -3.63 3.15 5.08 -1.20 -3.48 114.58 115.52 2jxj h GLU 136 Ca 0.25 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.36 2jxj h GLU 136 Cb 0.06 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.38 2jxj h GLU 136 CO -0.04 0.00 -0.41 1.17 -1.00 0.00 0.00 179.01 178.73 2jxj n LYS 137 N -2.79 -4.27 -0.24 2.33 3.00 0.22 -4.91 118.16 111.50 2jxj n LYS 137 Ca 0.02 0.54 0.06 0.00 -0.00 0.00 0.00 58.31 58.94 2jxj n LYS 137 Cb 0.53 -4.68 0.19 0.00 0.00 0.00 0.00 35.03 31.07 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jxj n LYS 138 N -3.14 2.08 -0.22 1.64 4.76 -0.45 -4.18 118.16 118.66 2jxj n LYS 138 Ca -0.03 -1.53 -0.08 0.00 -2.87 0.00 0.00 58.31 53.81 2jxj n LYS 138 Cb 0.55 -1.38 0.06 0.00 -1.84 0.00 0.00 35.03 32.42 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2jxj h TRP 139 N 2.42 1.15 -0.48 2.13 4.06 -1.91 -2.35 115.95 120.97 2jxj h TRP 139 Ca 0.00 -0.16 -0.06 0.00 2.06 0.00 0.00 58.89 60.73 2jxj h TRP 139 Cb 0.63 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2jxj h TRP 139 CO 0.31 0.97 0.06 0.77 -3.56 0.00 0.00 178.44 176.99 2jxj h SER 140 N 1.01 0.72 -0.13 -3.49 0.02 -1.90 -2.57 113.55 107.20 2jxj h SER 140 Ca 0.20 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2jxj h SER 140 Cb 0.45 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2jxj h SER 140 CO 0.01 0.75 -0.26 0.11 -1.14 0.00 0.00 176.83 176.30 2jxj h LYS 141 N 0.72 0.58 -0.76 3.45 1.57 -1.76 -2.78 116.57 117.59 2jxj h LYS 141 Ca 0.15 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2jxj h LYS 141 Cb 0.36 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2jxj h LYS 141 CO 0.01 0.79 0.50 0.28 -0.57 0.00 0.00 179.45 180.46 2jxj h VAL 142 N 0.51 1.18 -0.47 0.50 2.07 -1.02 -2.38 116.25 116.64 2jxj h VAL 142 Ca 0.07 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 2jxj h VAL 142 Cb 0.72 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2jxj h VAL 142 CO 0.06 0.19 -0.19 1.23 0.02 0.00 0.00 177.57 178.87 2jxj h GLY 143 N 1.02 1.02 1.40 2.17 0.00 -1.39 -2.96 103.07 104.34 2jxj h GLY 143 Ca 0.29 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2jxj h GLY 143 CO -0.07 0.80 0.40 1.76 0.00 0.00 0.00 176.54 179.43 2jxj h SER 144 N 0.82 0.69 0.11 0.19 0.02 -1.20 -1.31 113.55 112.87 2jxj h SER 144 Ca 0.11 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2jxj h SER 144 Cb 0.75 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2jxj h SER 144 CO 0.06 0.50 -0.18 0.03 -1.14 0.00 0.00 176.83 176.10 2jxj h ARG 145 N 0.82 0.15 0.00 3.45 2.47 -1.27 -3.30 114.38 116.69 2jxj h ARG 145 Ca 0.22 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2jxj h ARG 145 Cb -0.09 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 2jxj h ARG 145 CO -0.05 0.33 0.00 -0.11 0.56 0.00 0.00 179.97 180.70 2jxj n LEU 146 N -4.27 0.28 0.00 3.04 -0.00 -0.53 -4.97 117.00 110.56 2jxj n LEU 146 Ca -0.01 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.61 2jxj n LEU 146 Cb 0.28 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2jxj n LEU 146 CO 0.38 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 177.95 2jxj n GLY 147 N 0.92 -0.15 3.61 -3.96 0.00 -1.01 -5.14 105.19 99.47 2jxj n GLY 147 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.74 0.13 1.61 2.02 -1.21 -5.04 117.35 117.60 2jxj s TYR 148 Ca 0.00 -0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.42 2jxj s TYR 148 Cb 0.00 -1.35 -0.06 0.00 -0.40 0.00 0.00 41.96 40.15 2jxj s TYR 148 CO 0.00 0.50 0.47 -0.51 -1.57 0.00 0.00 175.55 174.44 2jxj s LEU 149 N -2.77 4.30 0.99 -1.29 1.43 -1.26 -4.72 118.68 115.37 2jxj s LEU 149 Ca 0.25 0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.08 2jxj s LEU 149 Cb -0.09 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.95 2jxj s LEU 149 CO 0.16 0.09 0.37 -2.65 0.23 0.00 0.00 176.35 174.55 2jxj n PRO 150 N 0.57 -0.64 -0.97 1.29 -0.02 -1.26 -4.93 135.00 129.04 2jxj n PRO 150 Ca -0.05 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2jxj n PRO 150 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2jxj n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxj n GLY 151 N 1.54 0.62 3.58 -1.23 0.00 -1.26 -5.09 105.19 103.36 2jxj n GLY 151 Ca 0.06 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 3.87 0.00 1.61 1.02 -1.26 -4.95 119.74 118.03 2jxj s LYS 152 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2jxj s LYS 152 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 2jxj s LYS 152 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2jxj n GLY 153 N 3.67 0.71 5.00 -3.33 0.00 -1.26 -5.00 105.19 104.99 2jxj n GLY 153 Ca -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 -0.08 2.61 -1.04 -1.26 -4.23 114.28 110.28 2jxj n THR 154 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 2jxj n THR 154 Cb 0.00 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.61 1.02 3.41 0.00 -1.90 -1.22 103.07 105.00 2jxj h GLY 155 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2jxj h GLY 155 CO 0.00 0.12 0.57 1.76 0.00 0.00 0.00 176.54 179.00 2jxj h SER 156 N 0.46 1.15 -0.10 0.19 0.02 -1.95 0.95 113.55 114.26 2jxj h SER 156 Ca 0.27 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 2jxj h SER 156 Cb 0.45 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2jxj h SER 156 CO -0.08 0.88 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.70 2jxj h LEU 157 N 1.31 0.81 -0.40 5.07 4.07 -1.61 -2.75 115.31 121.81 2jxj h LEU 157 Ca 0.34 -0.66 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 2jxj h LEU 157 Cb -0.06 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 2jxj h LEU 157 CO -0.06 1.35 0.17 -0.07 -1.08 0.00 0.00 178.44 178.75 2jxj h LEU 158 N 0.33 0.55 -0.19 1.67 3.38 -1.02 0.21 115.31 120.24 2jxj h LEU 158 Ca -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2jxj h LEU 158 Cb 1.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2jxj h LEU 158 CO 0.15 0.55 0.12 0.50 0.09 0.00 0.00 178.44 179.85 2jxj h LYS 159 N 0.51 0.25 -0.40 1.13 3.11 -0.88 0.20 116.57 120.49 2jxj h LYS 159 Ca 0.14 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.85 2jxj h LYS 159 Cb 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 2jxj h LYS 159 CO -0.01 0.18 -0.17 0.77 -2.81 0.00 0.00 179.45 177.41 2jxj h SER 160 N 0.25 0.76 -0.11 4.20 0.02 -1.36 -1.81 113.55 115.48 2jxj h SER 160 Ca 0.07 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2jxj h SER 160 Cb -0.01 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2jxj h SER 160 CO -0.01 0.93 -0.01 0.45 -1.14 0.00 0.00 176.83 177.04 2jxj h HIS 161 N 0.67 0.23 -0.10 3.45 3.86 -0.24 -3.15 115.15 119.87 2jxj h HIS 161 Ca 0.10 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2jxj h HIS 161 Cb 0.66 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2jxj h HIS 161 CO 0.03 0.49 0.06 -0.92 0.86 0.00 0.00 177.93 178.45 2jxj h TYR 162 N -0.08 0.12 -0.94 2.45 3.20 -0.56 -2.99 116.97 118.17 2jxj h TYR 162 Ca 0.03 0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.32 2jxj h TYR 162 Cb 0.40 -0.04 -0.13 0.00 1.54 0.00 0.00 36.73 38.50 2jxj h TYR 162 CO 0.04 0.10 1.40 -1.91 -1.64 0.00 0.00 178.16 176.15 2jxj n GLU 163 N -5.01 3.37 0.00 1.82 2.13 -0.69 0.65 120.64 122.91 2jxj n GLU 163 Ca -0.05 -2.68 0.00 0.00 0.66 0.00 0.00 57.16 55.09 2jxj n GLU 163 Cb 0.04 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.37 2jxj n GLU 163 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jxj n ARG 164 N 1.55 0.00 0.00 5.31 5.12 -1.13 -4.88 116.66 122.63 2jxj n ARG 164 Ca 0.56 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2jxj n ARG 164 Cb 0.44 -0.21 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jxj n ILE 165 N -1.89 0.00 0.08 0.55 -0.00 -1.23 -4.76 119.36 112.11 2jxj n ILE 165 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.71 2jxj n ILE 165 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 39.64 39.33 2jxj n ILE 165 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2jxj h LEU 166 N 0.00 -0.21 -0.13 1.39 4.07 -1.72 -3.11 115.31 115.60 2jxj h LEU 166 Ca 0.00 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.01 2jxj h LEU 166 Cb 0.39 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.12 2jxj h LEU 166 CO 0.00 0.04 -0.32 0.22 -1.08 0.00 0.00 178.44 177.30 2jxj h TYR 167 N -0.63 -0.88 -0.32 1.13 3.20 -0.09 -1.20 116.97 118.18 2jxj h TYR 167 Ca -0.03 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.97 2jxj h TYR 167 Cb 0.19 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2jxj h TYR 167 CO 0.03 -0.40 0.33 -1.00 -1.64 0.00 0.00 178.16 175.49 2jxj h PRO 168 N -0.39 0.00 0.18 1.82 0.13 -1.76 -2.23 132.00 129.75 2jxj h PRO 168 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2jxj h PRO 168 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2jxj h PRO 168 CO -0.35 0.00 -0.18 -0.92 -0.23 0.00 0.00 178.00 176.32 2jxj h TYR 169 N 0.00 -0.47 -0.00 1.56 3.20 -1.13 0.28 116.97 120.40 2jxj h TYR 169 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.82 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 2jxj h TYR 169 CO 0.00 -0.27 0.00 0.93 -1.64 0.00 0.00 178.16 177.18 2jxj h GLU 170 N -0.39 0.01 -0.73 1.82 3.07 -1.45 -2.25 114.58 114.66 2jxj h GLU 170 Ca 0.00 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.00 2jxj h GLU 170 Cb 0.37 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 2jxj h GLU 170 CO -0.05 0.01 0.49 -0.07 -1.40 0.00 0.00 179.01 177.99 2jxj h LEU 171 N -0.00 0.42 -1.26 1.33 3.38 -1.42 0.90 115.31 118.66 2jxj h LEU 171 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jxj h LEU 171 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jxj h LEU 171 CO -0.00 0.23 -0.21 0.15 0.09 0.00 0.00 178.44 178.70 2jxj h PHE 172 N 0.46 0.25 -0.42 1.13 3.04 -0.34 0.90 116.94 121.96 2jxj h PHE 172 Ca 0.35 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 2jxj h PHE 172 Cb 0.74 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 2jxj h PHE 172 CO -0.00 0.44 0.12 1.96 -2.02 0.00 0.00 178.31 178.81 2jxj h GLN 173 N 0.22 0.66 -0.38 1.11 1.08 -0.55 -2.99 115.11 114.25 2jxj h GLN 173 Ca 0.04 -0.15 -0.15 0.00 -1.45 0.00 0.00 58.65 56.94 2jxj h GLN 173 Cb 0.51 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.75 2jxj h GLN 173 CO 0.03 0.66 0.02 0.43 -0.95 0.00 0.00 178.83 179.02 2jxj n SER 174 N -4.57 3.11 0.00 1.46 7.64 -1.08 -5.14 113.62 115.04 2jxj n SER 174 Ca 0.00 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.39 2jxj n SER 174 Cb 0.19 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64