#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj h PRO 81 N 0.00 0.41 -6.09 1.61 0.13 -2.13 -3.40 132.00 122.53 2jxj h PRO 81 Ca 0.00 -0.24 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 2jxj h PRO 81 Cb 0.00 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.05 2jxj h PRO 81 CO 0.00 0.82 1.06 -0.51 -0.23 0.00 0.00 178.00 179.14 2jxj s LEU 82 N -9.00 3.52 0.00 1.56 1.02 -1.26 -4.94 118.68 109.59 2jxj s LEU 82 Ca -0.14 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.18 2jxj s LEU 82 Cb 0.05 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.73 2jxj s LEU 82 CO 0.77 -1.67 0.00 0.61 0.02 0.00 0.00 176.35 176.08 2jxj n GLY 83 N 5.70 0.72 2.64 -3.19 0.00 -1.26 -5.04 105.19 104.76 2jxj n GLY 83 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.05 1.61 7.64 -1.26 -4.96 113.62 116.61 2jxj n SER 84 Ca 0.00 -2.71 -0.12 0.00 1.01 0.00 0.00 58.87 57.05 2jxj n SER 84 Cb 0.00 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 2.66 0.28 -0.31 1.43 3.08 -1.98 -1.52 114.38 118.01 2jxj h ARG 85 Ca -0.14 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2jxj h ARG 85 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2jxj h ARG 85 CO 0.28 0.55 -0.15 -0.39 -1.07 0.00 0.00 179.97 179.19 2jxj h VAL 86 N -0.02 1.24 -0.22 2.04 -1.51 -1.99 -1.62 116.25 114.17 2jxj h VAL 86 Ca 0.04 -1.10 -0.04 0.00 -1.23 0.00 0.00 66.70 64.37 2jxj h VAL 86 Cb 0.44 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2jxj h VAL 86 CO 0.01 0.36 -0.03 0.03 -1.23 0.00 0.00 177.57 176.71 2jxj h ARG 87 N 0.50 0.40 -0.48 5.19 3.08 -1.93 -2.35 114.38 118.80 2jxj h ARG 87 Ca 0.09 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2jxj h ARG 87 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2jxj h ARG 87 CO 0.03 0.63 0.14 1.25 -1.07 0.00 0.00 179.97 180.95 2jxj h LEU 88 N 0.15 0.70 -0.82 3.04 6.46 -1.16 -2.89 115.31 120.79 2jxj h LEU 88 Ca 0.06 -0.22 0.05 0.00 -0.12 0.00 0.00 57.88 57.65 2jxj h LEU 88 Cb 0.47 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 2jxj h LEU 88 CO 0.02 0.73 0.52 0.44 -0.62 0.00 0.00 178.44 179.53 2jxj h ASP 89 N 0.64 0.83 -0.09 1.25 5.19 -1.27 -1.73 116.42 121.24 2jxj h ASP 89 Ca 0.15 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2jxj h ASP 89 Cb 0.29 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 2jxj h ASP 89 CO -0.00 0.55 -0.03 0.15 -3.12 0.00 0.00 179.24 176.79 2jxj h PHE 90 N 0.97 -0.06 -0.27 4.55 3.04 -1.23 -1.95 116.94 121.99 2jxj h PHE 90 Ca 0.35 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 2jxj h PHE 90 Cb 0.09 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2jxj h PHE 90 CO -0.03 -0.05 0.13 -0.07 -2.02 0.00 0.00 178.31 176.27 2jxj h LEU 91 N -0.01 0.33 -0.32 0.59 4.07 -1.27 -2.50 115.31 116.20 2jxj h LEU 91 Ca 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2jxj h LEU 91 Cb 0.08 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2jxj h LEU 91 CO -0.10 0.29 0.19 -0.78 -1.08 0.00 0.00 178.44 176.96 2jxj h ASP 92 N 0.38 0.39 -0.65 -0.43 3.58 -0.56 0.19 116.42 119.31 2jxj h ASP 92 Ca 0.10 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2jxj h ASP 92 Cb 0.05 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2jxj h ASP 92 CO -0.01 0.33 0.36 1.56 -2.88 0.00 0.00 179.24 178.60 2jxj h GLN 93 N 0.41 0.90 -0.48 0.28 1.08 -1.02 0.27 115.11 116.55 2jxj h GLN 93 Ca 0.11 -0.10 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 2jxj h GLN 93 Cb 0.02 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 2jxj h GLN 93 CO -0.02 0.67 -0.20 1.25 -0.95 0.00 0.00 178.83 179.58 2jxj h LEU 94 N 0.89 1.00 -0.26 1.46 6.46 -1.23 0.68 115.31 124.31 2jxj h LEU 94 Ca 0.23 -0.37 -0.11 0.00 -0.12 0.00 0.00 57.88 57.50 2jxj h LEU 94 Cb 0.03 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2jxj h LEU 94 CO -0.04 1.16 -0.28 0.00 -0.62 0.00 0.00 178.44 178.66 2jxj h ALA 95 N 0.91 0.39 -0.09 1.25 0.00 -0.30 -2.37 119.26 119.04 2jxj h ALA 95 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2jxj h ALA 95 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jxj h ALA 95 CO 0.06 0.40 -0.55 0.87 0.00 0.00 0.00 179.25 180.03 2jxj h LYS 96 N 0.38 0.27 -0.05 0.00 1.57 -0.43 -2.10 116.57 116.21 2jxj h LYS 96 Ca 0.04 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2jxj h LYS 96 Cb 0.85 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 2jxj h LYS 96 CO 0.07 0.75 0.00 0.35 -0.57 0.00 0.00 179.45 180.05 2jxj h PHE 97 N 0.21 0.09 -0.34 -1.35 3.04 -0.82 -2.87 116.94 114.89 2jxj h PHE 97 Ca 0.00 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 2jxj h PHE 97 Cb 1.03 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.50 2jxj h PHE 97 CO 0.02 0.36 -0.13 -1.49 -2.02 0.00 0.00 178.31 175.05 2jxj h TRP 98 N -0.21 0.66 -0.60 0.41 4.06 -1.44 -2.96 115.95 115.87 2jxj h TRP 98 Ca 0.01 -0.11 0.07 0.00 2.06 0.00 0.00 58.89 60.92 2jxj h TRP 98 Cb 0.32 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 2jxj h TRP 98 CO 0.03 0.71 0.29 1.49 -3.56 0.00 0.00 178.44 177.40 2jxj h GLU 99 N 0.55 0.51 -0.09 0.49 4.57 -1.29 -0.24 114.58 119.07 2jxj h GLU 99 Ca 0.10 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2jxj h GLU 99 Cb 0.55 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2jxj h GLU 99 CO 0.03 0.34 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.01 2jxj h LEU 100 N 0.53 0.13 -0.36 1.64 -0.00 -1.34 -2.44 115.31 113.46 2jxj h LEU 100 Ca 0.28 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.88 57.96 2jxj h LEU 100 Cb 0.25 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2jxj h LEU 100 CO -0.22 0.27 -0.51 1.56 -0.00 0.00 0.00 178.44 179.54 2jxj h GLN 101 N 0.14 0.84 0.00 1.13 1.08 -1.03 -3.47 115.11 113.79 2jxj h GLN 101 Ca 0.03 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2jxj h GLN 101 Cb 0.30 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2jxj h GLN 101 CO 0.02 1.14 0.00 0.41 -0.95 0.00 0.00 178.83 179.45 2jxj n GLY 102 N 0.29 0.55 0.00 3.46 0.00 -0.39 -5.12 105.19 103.97 2jxj n GLY 102 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.09 -3.71 1.61 2.88 -0.77 -4.97 113.62 108.75 2jxj n SER 103 Ca 0.00 -0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 56.98 2jxj n SER 103 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2jxj n SER 103 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jxj s THR 104 N 1.51 0.01 -0.23 2.46 -1.32 -1.26 -3.42 115.64 113.39 2jxj s THR 104 Ca 0.00 -0.11 -0.25 0.00 -1.21 0.00 0.00 61.69 60.12 2jxj s THR 104 Cb 0.00 -0.65 -0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2jxj s THR 104 CO 0.00 -0.06 0.86 -0.22 -2.21 0.00 0.00 174.62 172.99 2jxj s LEU 105 N -0.24 4.09 -0.08 9.08 2.96 -1.26 -5.01 118.68 128.22 2jxj s LEU 105 Ca -0.04 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 2jxj s LEU 105 Cb -0.03 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.43 2jxj s LEU 105 CO 0.02 -0.52 -0.13 -0.75 -1.32 0.00 0.00 176.35 173.65 2jxj s LYS 106 N 2.81 1.83 -0.54 1.98 2.47 -1.26 -5.01 119.74 122.02 2jxj s LYS 106 Ca 0.36 -0.44 -0.17 0.00 -1.56 0.00 0.00 55.97 54.17 2jxj s LYS 106 Cb -0.15 -1.55 0.11 0.00 -1.46 0.00 0.00 37.83 34.78 2jxj s LYS 106 CO 0.08 -0.01 0.54 0.42 0.16 0.00 0.00 175.35 176.53 2jxj s ILE 107 N 0.82 5.11 1.17 5.43 1.09 -1.26 -5.07 121.20 128.49 2jxj s ILE 107 Ca -0.11 -1.29 -0.20 0.00 -1.10 0.00 0.00 60.65 57.95 2jxj s ILE 107 Cb -0.15 -4.35 0.29 0.00 -1.06 0.00 0.00 42.46 37.18 2jxj s ILE 107 CO 0.02 -0.90 1.14 -0.81 -0.10 0.00 0.00 174.94 174.30 2jxj n PRO 108 N 5.54 -2.71 -4.71 2.79 -0.04 -1.26 -5.00 135.00 129.61 2jxj n PRO 108 Ca -0.12 -1.81 -0.28 0.00 -0.04 0.00 0.00 63.50 61.24 2jxj n PRO 108 Cb 0.41 -1.57 -0.17 0.00 -0.04 0.00 0.00 33.50 32.14 2jxj n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jxj s VAL 109 N -3.19 1.56 -0.20 0.52 1.01 -1.26 -4.21 120.40 114.63 2jxj s VAL 109 Ca 0.72 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2jxj s VAL 109 Cb -0.06 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2jxj s VAL 109 CO 0.54 0.45 -0.02 -0.69 0.00 0.00 0.00 175.10 175.38 2jxj s VAL 110 N 0.71 3.76 0.00 2.92 1.01 -0.79 -4.82 120.40 123.19 2jxj s VAL 110 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2jxj s VAL 110 Cb -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2jxj s VAL 110 CO 0.03 0.43 0.00 -0.62 0.00 0.00 0.00 175.10 174.94 2jxj n GLU 111 N 4.30 0.00 -1.42 2.72 -0.58 -1.26 -2.06 120.64 122.34 2jxj n GLU 111 Ca -0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2jxj n GLU 111 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 2jxj n GLU 111 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jxj n ARG 112 N 0.00 0.04 -3.45 3.49 0.00 -1.26 -5.16 116.66 110.31 2jxj n ARG 112 Ca 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.85 57.70 2jxj n ARG 112 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 32.46 32.51 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2jxj s LYS 113 N 0.00 1.28 -0.08 -0.14 2.47 -0.88 -5.14 119.74 117.26 2jxj s LYS 113 Ca 0.00 -0.50 -0.23 0.00 -1.56 0.00 0.00 55.97 53.68 2jxj s LYS 113 Cb 0.01 0.58 -0.04 0.00 -1.46 0.00 0.00 37.83 36.93 2jxj s LYS 113 CO -0.00 -0.56 0.69 0.42 0.16 0.00 0.00 175.35 176.06 2jxj s ILE 114 N -3.76 5.05 -0.62 5.43 1.01 -1.26 -1.89 121.20 125.15 2jxj s ILE 114 Ca 0.01 1.42 -0.27 0.00 0.00 0.00 0.00 60.65 61.81 2jxj s ILE 114 Cb -0.01 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.45 2jxj s ILE 114 CO -0.12 0.24 1.41 -0.22 0.00 0.00 0.00 174.94 176.25 2jxj s LEU 115 N 0.87 3.32 0.90 2.97 0.20 -1.26 -4.99 118.68 120.70 2jxj s LEU 115 Ca 0.37 0.06 -0.11 0.00 0.69 0.00 0.00 54.13 55.14 2jxj s LEU 115 Cb -0.17 -2.85 0.12 0.00 -0.43 0.00 0.00 46.19 42.85 2jxj s LEU 115 CO 0.17 -1.81 1.01 -0.67 -0.29 0.00 0.00 176.35 174.77 2jxj n ASP 116 N 9.81 -0.01 0.03 3.68 -0.08 -1.26 -5.00 116.55 123.72 2jxj n ASP 116 Ca 0.10 0.43 -0.02 0.00 -1.51 0.00 0.00 54.79 53.80 2jxj n ASP 116 Cb 0.49 -1.43 -0.01 0.00 2.34 0.00 0.00 41.12 42.52 2jxj n ASP 116 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jxj n LEU 117 N -3.51 1.24 0.03 -2.67 4.77 -1.26 -4.33 117.00 111.27 2jxj n LEU 117 Ca 0.11 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2jxj n LEU 117 Cb 0.52 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2jxj n LEU 117 CO 0.49 -0.66 0.80 0.22 -1.33 0.00 0.00 177.39 176.91 2jxj h TYR 118 N -0.17 -0.24 -0.62 -1.77 3.20 -1.94 0.78 116.97 116.22 2jxj h TYR 118 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2jxj h TYR 118 Cb 0.19 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2jxj h TYR 118 CO -0.07 -0.15 0.25 0.00 -1.64 0.00 0.00 178.16 176.55 2jxj h ALA 119 N 0.87 0.80 -0.13 1.82 0.00 -2.00 -1.78 119.26 118.83 2jxj h ALA 119 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2jxj h ALA 119 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jxj h ALA 119 CO -0.12 0.41 -0.41 1.25 0.00 0.00 0.00 179.25 180.38 2jxj h LEU 120 N 0.86 0.31 -0.70 0.00 5.85 -1.66 -2.76 115.31 117.20 2jxj h LEU 120 Ca 0.21 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 2jxj h LEU 120 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jxj h LEU 120 CO -0.02 0.69 -0.37 -1.28 -0.34 0.00 0.00 178.44 177.12 2jxj h SER 121 N 0.25 0.60 -0.24 1.25 0.87 0.94 -2.83 113.55 114.39 2jxj h SER 121 Ca 0.02 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 2jxj h SER 121 Cb 0.83 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2jxj h SER 121 CO 0.07 0.92 -0.08 0.11 -0.53 0.00 0.00 176.83 177.31 2jxj h LYS 122 N 0.48 0.48 -0.91 2.24 1.57 -1.17 -2.66 116.57 116.61 2jxj h LYS 122 Ca 0.05 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2jxj h LYS 122 Cb 0.86 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 2jxj h LYS 122 CO 0.07 0.72 0.60 0.82 -0.57 0.00 0.00 179.45 181.09 2jxj h ILE 123 N 0.22 1.16 0.02 1.86 2.04 -1.46 -0.73 117.51 120.61 2jxj h ILE 123 Ca 0.06 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2jxj h ILE 123 Cb 0.56 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2jxj h ILE 123 CO 0.03 0.21 -0.01 0.58 0.00 0.00 0.00 178.15 178.96 2jxj h VAL 124 N 1.14 1.17 -0.54 1.67 2.07 -1.42 -2.84 116.25 117.50 2jxj h VAL 124 Ca 0.36 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jxj h VAL 124 Cb 0.01 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2jxj h VAL 124 CO -0.11 0.15 0.35 0.00 0.02 0.00 0.00 177.57 177.98 2jxj h ALA 125 N 0.71 0.69 -0.22 1.67 0.00 -1.19 -1.21 119.26 119.71 2jxj h ALA 125 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2jxj h ALA 125 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jxj h ALA 125 CO 0.00 0.14 0.21 0.66 0.00 0.00 0.00 179.25 180.27 2jxj h SER 126 N 0.73 0.00 1.08 0.00 4.64 -1.10 0.61 113.55 119.51 2jxj h SER 126 Ca 0.20 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2jxj h SER 126 Cb -0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2jxj h SER 126 CO -0.04 0.00 -0.97 0.11 -0.87 0.00 0.00 176.83 175.06 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.57 -1.08 -3.47 116.57 118.36 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 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 2jxj n GLY 128 N 1.32 0.38 0.00 3.86 0.00 0.20 -4.68 105.19 106.27 2jxj n GLY 128 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 3.84 0.34 -0.02 0.00 -0.54 -4.84 105.19 103.97 2jxj n GLY 129 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.33 -0.29 1.61 -0.00 -1.26 -4.31 117.46 111.89 2jxj n PHE 130 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 57.45 57.52 2jxj n PHE 130 Cb 0.00 0.46 0.08 0.00 -0.00 0.00 0.00 39.48 40.02 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 1.01 -0.86 -4.13 5.08 -1.95 -1.47 114.58 112.27 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 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 2jxj h GLU 131 CO 0.00 0.67 0.50 0.52 -1.00 0.00 0.00 179.01 179.70 2jxj h MET 132 N 1.04 1.17 -0.18 2.33 2.86 -1.88 0.46 114.93 120.74 2jxj h MET 132 Ca 0.29 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2jxj h MET 132 Cb -0.09 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.32 2jxj h MET 132 CO -0.07 0.83 -0.02 0.28 1.06 0.00 0.00 176.91 178.98 2jxj h VAL 133 N 1.18 1.27 -0.34 -2.22 2.07 -1.68 -2.19 116.25 114.34 2jxj h VAL 133 Ca 0.31 -0.94 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 2jxj h VAL 133 Cb -0.03 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jxj h VAL 133 CO -0.06 0.28 -0.41 0.74 0.02 0.00 0.00 177.57 178.14 2jxj h THR 134 N 0.06 1.28 -0.16 2.57 2.02 -1.03 0.34 112.91 117.99 2jxj h THR 134 Ca 0.05 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 2jxj h THR 134 Cb 0.44 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2jxj h THR 134 CO 0.01 0.53 0.02 0.11 0.37 0.00 0.00 175.52 176.56 2jxj h LYS 135 N 0.69 0.23 -0.02 6.66 1.79 -0.05 -1.97 116.57 123.89 2jxj h LYS 135 Ca 0.05 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jxj h LYS 135 Cb 0.99 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2jxj h LYS 135 CO 0.10 0.24 -0.04 0.39 -1.08 0.00 0.00 179.45 179.05 2jxj n GLU 136 N -4.42 1.79 -2.50 3.15 -0.58 -0.83 -4.96 120.64 112.29 2jxj n GLU 136 Ca -0.01 -1.63 -0.21 0.00 -0.42 0.00 0.00 57.16 54.90 2jxj n GLU 136 Cb 0.15 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2jxj n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jxj n LYS 137 N 1.01 -2.20 0.05 3.49 5.02 0.55 -4.85 118.16 121.23 2jxj n LYS 137 Ca 0.11 0.99 0.10 0.00 -2.02 0.00 0.00 58.31 57.50 2jxj n LYS 137 Cb 0.50 -5.69 0.43 0.00 -0.02 0.00 0.00 35.03 30.25 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jxj n LYS 138 N -3.17 0.09 -0.35 1.97 5.02 0.87 -3.32 118.16 119.26 2jxj n LYS 138 Ca -0.23 0.26 0.09 0.00 -2.02 0.00 0.00 58.31 56.41 2jxj n LYS 138 Cb 0.68 -1.65 0.27 0.00 -0.02 0.00 0.00 35.03 34.31 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 0.00 1.10 -0.11 2.13 4.06 -1.89 0.57 115.95 121.81 2jxj h TRP 139 Ca 0.00 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.86 2jxj h TRP 139 Cb 0.38 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2jxj h TRP 139 CO 0.00 0.39 -0.47 0.77 -3.56 0.00 0.00 178.44 175.57 2jxj h SER 140 N 0.92 0.31 0.45 -3.49 0.02 -1.91 -2.87 113.55 106.97 2jxj h SER 140 Ca 0.51 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 61.18 2jxj h SER 140 Cb 0.61 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2jxj h SER 140 CO -0.29 0.74 -0.60 0.11 -1.14 0.00 0.00 176.83 175.65 2jxj h LYS 141 N 0.23 0.15 -0.15 3.45 6.56 -1.15 -2.70 116.57 122.96 2jxj h LYS 141 Ca 0.01 -0.10 -0.04 0.00 -1.06 0.00 0.00 60.65 59.46 2jxj h LYS 141 Cb 0.92 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.59 2jxj h LYS 141 CO 0.08 0.71 -0.05 0.28 -2.06 0.00 0.00 179.45 178.41 2jxj h VAL 142 N 0.11 1.30 -0.75 0.50 2.07 -0.92 -2.49 116.25 116.07 2jxj h VAL 142 Ca -0.01 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 2jxj h VAL 142 Cb 1.09 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2jxj h VAL 142 CO 0.09 0.30 0.24 1.23 0.02 0.00 0.00 177.57 179.45 2jxj h GLY 143 N -0.02 1.25 1.30 2.17 0.00 -1.52 -2.74 103.07 103.51 2jxj h GLY 143 Ca 0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2jxj h GLY 143 CO 0.02 0.69 0.24 1.76 0.00 0.00 0.00 176.54 179.25 2jxj h SER 144 N 1.12 0.82 -0.01 0.19 0.02 -1.47 -1.54 113.55 112.67 2jxj h SER 144 Ca 0.24 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2jxj h SER 144 Cb 0.30 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2jxj h SER 144 CO -0.01 0.74 -0.07 0.03 -1.14 0.00 0.00 176.83 176.38 2jxj h ARG 145 N 0.88 0.21 0.11 3.45 3.08 -1.15 -3.19 114.38 117.76 2jxj h ARG 145 Ca 0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2jxj h ARG 145 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2jxj h ARG 145 CO -0.02 0.29 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.05 2jxj h LEU 146 N 0.20 -0.12 0.00 3.04 3.38 -1.22 -3.48 115.31 117.11 2jxj h LEU 146 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jxj h LEU 146 Cb 0.26 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jxj h LEU 146 CO 0.01 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2jxj n GLY 147 N 1.34 0.00 3.51 0.83 0.00 -0.65 -5.14 105.19 105.08 2jxj n GLY 147 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 2.95 0.30 1.61 1.51 -0.77 -4.85 117.35 118.10 2jxj s TYR 148 Ca 0.00 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 2jxj s TYR 148 Cb 0.00 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 2jxj s TYR 148 CO 0.00 0.08 0.67 -0.51 -1.11 0.00 0.00 175.55 174.68 2jxj s LEU 149 N -0.11 4.08 -0.82 -1.29 1.43 -1.26 -4.26 118.68 116.45 2jxj s LEU 149 Ca 0.01 1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.99 2jxj s LEU 149 Cb -0.13 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2jxj s LEU 149 CO 0.03 -0.18 1.88 -2.16 0.23 0.00 0.00 176.35 176.15 2jxj s PRO 150 N -3.02 2.65 0.50 1.29 0.04 -1.26 -4.94 135.00 130.26 2jxj s PRO 150 Ca 0.51 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.50 2jxj s PRO 150 Cb -0.11 -4.86 -0.01 0.00 0.04 0.00 0.00 34.50 29.56 2jxj s PRO 150 CO 0.20 -3.09 0.10 0.20 0.04 0.00 0.00 177.00 174.45 2jxj s GLY 151 N 7.76 2.79 -0.52 0.56 0.00 -1.26 -5.05 107.32 111.60 2jxj s GLY 151 Ca 0.67 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 2jxj s GLY 151 CO 0.05 -2.12 2.09 0.54 0.00 0.00 0.00 173.10 173.67 2jxj s LYS 152 N -3.94 2.50 0.07 2.90 -0.14 -1.26 -4.52 119.74 115.35 2jxj s LYS 152 Ca 0.17 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 2jxj s LYS 152 Cb 0.02 -4.45 0.00 0.00 -1.68 0.00 0.00 37.83 31.72 2jxj s LYS 152 CO 0.10 -2.84 0.00 0.41 -0.76 0.00 0.00 175.35 172.25 2jxj n GLY 153 N 5.80 -3.67 0.82 -3.33 0.00 -1.26 -5.07 105.19 98.48 2jxj n GLY 153 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.26 0.00 -0.24 2.61 -1.04 -1.26 -4.93 114.28 109.16 2jxj n THR 154 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2jxj n THR 154 Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 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 1.13 1.47 3.41 0.00 -1.95 0.72 103.07 107.85 2jxj h GLY 155 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2jxj h GLY 155 CO 0.00 0.24 -0.21 1.76 0.00 0.00 0.00 176.54 178.32 2jxj h SER 156 N 0.85 0.62 -0.05 0.19 0.02 -1.99 -0.88 113.55 112.32 2jxj h SER 156 Ca 0.36 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2jxj h SER 156 Cb 0.29 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jxj h SER 156 CO -0.13 0.83 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.98 2jxj h LEU 157 N 0.55 0.37 -0.45 5.07 3.38 -1.61 -2.25 115.31 120.36 2jxj h LEU 157 Ca 0.08 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2jxj h LEU 157 Cb 0.67 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2jxj h LEU 157 CO 0.05 1.00 0.25 -0.07 0.09 0.00 0.00 178.44 179.75 2jxj h LEU 158 N -0.22 0.57 -0.83 1.67 3.38 -0.87 0.13 115.31 119.14 2jxj h LEU 158 Ca -0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2jxj h LEU 158 Cb 1.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2jxj h LEU 158 CO 0.07 0.50 0.25 0.50 0.09 0.00 0.00 178.44 179.84 2jxj h LYS 159 N 0.60 1.11 -0.22 1.13 3.11 -1.23 0.38 116.57 121.45 2jxj h LYS 159 Ca 0.16 -0.22 -0.04 0.00 -2.81 0.00 0.00 60.65 57.73 2jxj h LYS 159 Cb 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 2jxj h LYS 159 CO -0.03 0.93 -0.04 0.77 -2.81 0.00 0.00 179.45 178.28 2jxj h SER 160 N 1.08 0.41 -0.21 4.20 0.02 -1.06 -0.15 113.55 117.83 2jxj h SER 160 Ca 0.24 -0.35 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 2jxj h SER 160 Cb 0.27 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2jxj h SER 160 CO -0.01 0.66 -0.52 0.45 -1.14 0.00 0.00 176.83 176.27 2jxj h HIS 161 N 0.14 0.99 -0.25 3.45 3.86 -0.83 -3.14 115.15 119.38 2jxj h HIS 161 Ca 0.06 -0.34 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 2jxj h HIS 161 Cb 0.48 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2jxj h HIS 161 CO 0.05 1.14 -0.30 -0.92 0.86 0.00 0.00 177.93 178.76 2jxj h TYR 162 N 0.61 0.57 -3.21 2.45 3.20 -0.22 -3.34 116.97 117.03 2jxj h TYR 162 Ca 0.02 -0.14 -0.73 0.00 3.14 0.00 0.00 58.73 61.02 2jxj h TYR 162 Cb 1.11 -0.13 -0.33 0.00 1.54 0.00 0.00 36.73 38.91 2jxj h TYR 162 CO 0.06 0.75 0.12 -1.91 -1.64 0.00 0.00 178.16 175.55 2jxj n GLU 163 N -4.09 3.11 0.00 1.82 2.13 -0.07 -2.90 120.64 120.64 2jxj n GLU 163 Ca -0.01 -4.50 0.00 0.00 0.66 0.00 0.00 57.16 53.31 2jxj n GLU 163 Cb 0.44 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.71 2jxj n GLU 163 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2jxj n ARG 164 N 2.11 0.00 0.04 5.31 1.85 -1.25 -4.79 116.66 119.93 2jxj n ARG 164 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 2jxj n ARG 164 Cb 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2jxj n ILE 165 N -0.59 0.52 0.08 8.89 5.41 -1.26 -4.68 119.36 127.73 2jxj n ILE 165 Ca 0.00 0.17 -0.16 0.00 1.00 0.00 0.00 62.75 63.76 2jxj n ILE 165 Cb 0.00 -1.31 -0.09 0.00 -0.71 0.00 0.00 39.64 37.53 2jxj n ILE 165 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 2jxj h LEU 166 N 0.00 0.58 0.36 1.39 -0.00 -1.84 -3.23 115.31 112.57 2jxj h LEU 166 Ca 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 57.88 57.34 2jxj h LEU 166 Cb 0.36 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2jxj h LEU 166 CO 0.00 1.35 -0.17 0.22 -0.00 0.00 0.00 178.44 179.84 2jxj h TYR 167 N 0.20 -0.44 -0.30 0.17 3.20 -1.86 -3.17 116.97 114.76 2jxj h TYR 167 Ca -0.12 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.83 2jxj h TYR 167 Cb 1.77 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 40.17 2jxj h TYR 167 CO 0.07 -0.11 0.32 -1.00 -1.64 0.00 0.00 178.16 175.81 2jxj h PRO 168 N -0.89 0.00 0.26 1.82 0.13 -1.84 -2.12 132.00 129.36 2jxj h PRO 168 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2jxj h PRO 168 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2jxj h PRO 168 CO 0.08 0.00 -0.16 -0.92 -0.23 0.00 0.00 178.00 176.77 2jxj h TYR 169 N 0.00 -0.43 -0.03 1.56 3.20 -1.56 0.18 116.97 119.89 2jxj h TYR 169 Ca 0.14 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.79 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2jxj h TYR 169 CO 0.00 -0.26 -0.02 1.49 -1.64 0.00 0.00 178.16 177.73 2jxj h GLU 170 N -0.41 -0.02 -0.46 1.82 4.81 -1.46 -2.16 114.58 116.69 2jxj h GLU 170 Ca -0.02 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2jxj h GLU 170 Cb 0.35 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2jxj h GLU 170 CO 0.02 -0.02 0.31 -0.07 -0.73 0.00 0.00 179.01 178.52 2jxj h LEU 171 N -0.02 0.44 -0.84 1.64 -0.00 -1.42 0.16 115.31 115.26 2jxj h LEU 171 Ca 0.02 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.95 2jxj h LEU 171 Cb 0.05 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.55 2jxj h LEU 171 CO -0.04 0.30 0.52 0.15 -0.00 0.00 0.00 178.44 179.37 2jxj h PHE 172 N 0.51 0.96 0.18 1.13 3.04 0.03 1.04 116.94 123.84 2jxj h PHE 172 Ca 0.19 0.03 -0.34 0.00 3.98 0.00 0.00 57.97 61.82 2jxj h PHE 172 Cb 0.11 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 38.32 2jxj h PHE 172 CO -0.00 0.50 -1.68 1.96 -2.02 0.00 0.00 178.31 177.07 2jxj h GLN 173 N 0.96 0.39 -1.01 1.11 4.20 -1.18 -3.33 115.11 116.24 2jxj h GLN 173 Ca 0.36 -0.66 -0.48 0.00 0.06 0.00 0.00 58.65 57.93 2jxj h GLN 173 Cb 0.15 0.25 -0.27 0.00 0.30 0.00 0.00 27.48 27.90 2jxj h GLN 173 CO -0.16 1.32 0.62 0.43 -0.67 0.00 0.00 178.83 180.36 2jxj n SER 174 N -3.65 4.20 0.00 1.46 7.64 0.49 -5.13 113.62 118.62 2jxj n SER 174 Ca -0.24 -3.47 0.00 0.00 1.01 0.00 0.00 58.87 56.17 2jxj n SER 174 Cb 1.05 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64