#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 -0.01 -0.10 1.61 0.04 -1.26 -4.77 135.00 130.52 2jxj s PRO 81 Ca 0.00 0.26 -0.07 0.00 0.04 0.00 0.00 61.00 61.23 2jxj s PRO 81 Cb 0.00 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.86 2jxj s PRO 81 CO 0.00 -2.97 0.14 1.28 0.04 0.00 0.00 177.00 175.49 2jxj n LEU 82 N -4.30 -6.36 0.00 -3.56 4.77 -1.26 -4.95 117.00 101.35 2jxj n LEU 82 Ca 0.08 2.56 0.10 0.00 -0.03 0.00 0.00 56.01 58.72 2jxj n LEU 82 Cb 0.58 -3.27 -0.09 0.00 -2.33 0.00 0.00 43.42 38.31 2jxj n LEU 82 CO 0.53 -3.56 -0.07 0.61 -1.33 0.00 0.00 177.39 173.57 2jxj n GLY 83 N 1.76 -1.03 1.74 -0.72 0.00 -1.26 -4.21 105.19 101.47 2jxj n GLY 83 Ca -0.24 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.59 4.43 -0.03 1.61 2.88 -1.26 -4.39 113.62 115.27 2jxj n SER 84 Ca 0.03 -2.92 -0.13 0.00 -1.33 0.00 0.00 58.87 54.52 2jxj n SER 84 Cb 0.36 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 63.02 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 2.43 -0.03 -0.56 -1.46 3.08 -1.94 -2.17 114.38 113.73 2jxj h ARG 85 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2jxj h ARG 85 Cb 1.96 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 2jxj h ARG 85 CO 0.56 0.66 0.01 -0.39 -1.07 0.00 0.00 179.97 179.74 2jxj h VAL 86 N -0.78 1.26 -0.45 2.04 -1.51 -1.91 -2.20 116.25 112.69 2jxj h VAL 86 Ca -0.00 -1.08 -0.07 0.00 -1.23 0.00 0.00 66.70 64.32 2jxj h VAL 86 Cb 0.70 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 2jxj h VAL 86 CO 0.01 0.39 0.03 -0.09 -1.23 0.00 0.00 177.57 176.67 2jxj h ARG 87 N 0.88 0.78 -0.47 5.19 9.65 -1.81 -2.59 114.38 126.01 2jxj h ARG 87 Ca 0.16 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2jxj h ARG 87 Cb 0.50 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 2jxj h ARG 87 CO 0.02 0.83 0.25 -0.07 2.80 0.00 0.00 179.97 183.81 2jxj h LEU 88 N 0.63 0.59 -0.82 3.80 3.38 -1.23 -2.68 115.31 118.98 2jxj h LEU 88 Ca 0.13 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jxj h LEU 88 Cb 0.46 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2jxj h LEU 88 CO 0.02 0.51 0.51 0.44 0.09 0.00 0.00 178.44 180.02 2jxj h ASP 89 N 0.62 0.83 -0.76 -0.43 5.19 -1.30 -2.00 116.42 118.57 2jxj h ASP 89 Ca 0.16 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 2jxj h ASP 89 Cb 0.06 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 2jxj h ASP 89 CO -0.03 0.55 0.48 0.15 -3.12 0.00 0.00 179.24 177.28 2jxj h PHE 90 N 0.97 0.91 -0.20 4.55 3.04 -1.15 -1.72 116.94 123.35 2jxj h PHE 90 Ca 0.34 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.26 2jxj h PHE 90 Cb 0.09 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2jxj h PHE 90 CO -0.03 0.53 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.58 2jxj h LEU 91 N 0.95 0.31 -0.65 0.59 -0.00 -1.08 -2.71 115.31 112.73 2jxj h LEU 91 Ca 0.30 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 58.04 2jxj h LEU 91 Cb -0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2jxj h LEU 91 CO -0.10 0.48 0.15 -0.78 -0.00 0.00 0.00 178.44 178.19 2jxj h ASP 92 N 0.31 0.99 -0.60 -0.43 1.82 -0.64 -0.98 116.42 116.89 2jxj h ASP 92 Ca 0.06 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 2jxj h ASP 92 Cb 0.43 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 2jxj h ASP 92 CO 0.03 0.97 0.36 1.56 -1.61 0.00 0.00 179.24 180.54 2jxj h GLN 93 N 0.96 0.83 -0.43 0.28 1.08 -1.13 0.20 115.11 116.90 2jxj h GLN 93 Ca 0.20 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2jxj h GLN 93 Cb 0.37 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2jxj h GLN 93 CO 0.00 0.60 -0.18 1.25 -0.95 0.00 0.00 178.83 179.56 2jxj h LEU 94 N 0.82 0.91 -0.77 1.46 5.85 -1.36 -0.12 115.31 122.10 2jxj h LEU 94 Ca 0.22 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 2jxj h LEU 94 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2jxj h LEU 94 CO -0.04 1.09 -0.28 0.00 -0.34 0.00 0.00 178.44 178.87 2jxj h ALA 95 N 0.84 0.94 -0.04 1.25 0.00 -0.90 -1.84 119.26 119.51 2jxj h ALA 95 Ca 0.10 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 2jxj h ALA 95 Cb 0.74 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jxj h ALA 95 CO 0.06 0.61 -0.90 0.87 0.00 0.00 0.00 179.25 179.88 2jxj h LYS 96 N 0.53 0.56 -0.06 0.00 1.79 -0.50 -2.38 116.57 116.51 2jxj h LYS 96 Ca 0.07 -0.54 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 2jxj h LYS 96 Cb 0.76 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2jxj h LYS 96 CO 0.06 1.17 0.00 0.35 -1.08 0.00 0.00 179.45 179.95 2jxj h PHE 97 N 0.34 0.12 -0.31 -1.35 3.57 -0.93 -3.00 116.94 115.39 2jxj h PHE 97 Ca -0.08 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2jxj h PHE 97 Cb 1.53 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 2jxj h PHE 97 CO 0.07 0.38 -0.07 -1.49 -2.23 0.00 0.00 178.31 174.97 2jxj h TRP 98 N -0.17 0.53 -0.60 0.41 4.06 -1.42 -2.88 115.95 115.87 2jxj h TRP 98 Ca 0.02 -0.07 0.07 0.00 2.06 0.00 0.00 58.89 60.97 2jxj h TRP 98 Cb 0.33 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.29 2jxj h TRP 98 CO 0.03 0.57 0.29 1.49 -3.56 0.00 0.00 178.44 177.27 2jxj h GLU 99 N 0.47 0.52 0.00 0.49 4.81 -1.32 0.84 114.58 120.40 2jxj h GLU 99 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2jxj h GLU 99 Cb 0.43 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2jxj h GLU 99 CO 0.02 0.34 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.52 2jxj h LEU 100 N 0.53 0.00 0.22 1.64 3.38 -1.37 -2.19 115.31 117.52 2jxj h LEU 100 Ca 0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.93 2jxj h LEU 100 Cb 0.25 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.04 2jxj h LEU 100 CO -0.22 0.05 -1.43 1.56 0.09 0.00 0.00 178.44 178.49 2jxj h GLN 101 N 0.00 0.54 0.00 1.13 1.08 -0.95 -3.48 115.11 113.43 2jxj h GLN 101 Ca -0.00 -0.89 0.00 0.00 -1.45 0.00 0.00 58.65 56.31 2jxj h GLN 101 Cb 0.10 0.32 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2jxj h GLN 101 CO 0.01 1.42 0.00 0.41 -0.95 0.00 0.00 178.83 179.72 2jxj n GLY 102 N 1.64 0.35 0.00 3.46 0.00 0.07 -5.13 105.19 105.59 2jxj n GLY 102 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jxj n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 103 N 0.00 0.00 -3.57 1.61 7.64 -0.74 -4.96 113.62 113.61 2jxj n SER 103 Ca 0.00 -0.97 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 2jxj n SER 103 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2jxj n SER 103 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jxj s THR 104 N 0.27 -0.59 -0.17 0.44 -1.32 -1.26 -3.76 115.64 109.25 2jxj s THR 104 Ca 0.00 0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.31 2jxj s THR 104 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 2jxj s THR 104 CO 0.00 0.02 1.81 -0.22 -2.21 0.00 0.00 174.62 174.02 2jxj s LEU 105 N 2.56 3.91 -0.22 9.08 1.98 -1.26 -4.97 118.68 129.75 2jxj s LEU 105 Ca 0.03 1.89 -0.00 0.00 -2.89 0.00 0.00 54.13 53.16 2jxj s LEU 105 Cb -0.13 -3.53 0.06 0.00 0.66 0.00 0.00 46.19 43.25 2jxj s LEU 105 CO -0.13 -1.36 -0.03 -0.75 -1.89 0.00 0.00 176.35 172.19 2jxj s LYS 106 N 4.98 1.37 -0.38 1.98 2.20 -1.26 -4.93 119.74 123.70 2jxj s LYS 106 Ca 0.81 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2jxj s LYS 106 Cb -0.30 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 2jxj s LYS 106 CO 0.33 -0.61 1.46 0.96 -0.36 0.00 0.00 175.35 177.13 2jxj s ILE 107 N 1.52 3.86 0.53 5.43 -4.36 -1.26 -5.00 121.20 121.93 2jxj s ILE 107 Ca -0.05 0.90 -0.20 0.00 -0.26 0.00 0.00 60.65 61.04 2jxj s ILE 107 Cb -0.18 -4.10 -0.06 0.00 1.25 0.00 0.00 42.46 39.36 2jxj s ILE 107 CO -0.07 -0.66 1.14 -2.16 0.24 0.00 0.00 174.94 173.44 2jxj s PRO 108 N 4.93 3.41 -0.33 0.37 0.04 -1.26 -4.94 135.00 137.23 2jxj s PRO 108 Ca 0.64 1.66 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2jxj s PRO 108 Cb -0.16 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2jxj s PRO 108 CO 0.32 -0.81 0.34 0.08 0.04 0.00 0.00 177.00 176.96 2jxj s VAL 109 N -1.71 5.19 -0.06 -0.36 1.01 -1.26 -3.70 120.40 119.51 2jxj s VAL 109 Ca 0.71 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2jxj s VAL 109 Cb -0.25 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2jxj s VAL 109 CO 0.29 -0.02 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 2jxj s VAL 110 N 1.98 2.45 -1.57 2.92 1.01 -0.08 -4.64 120.40 122.47 2jxj s VAL 110 Ca 0.11 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2jxj s VAL 110 Cb -0.16 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2jxj s VAL 110 CO 0.11 0.57 0.62 -0.62 0.00 0.00 0.00 175.10 175.78 2jxj n GLU 111 N 2.80 -4.95 -2.38 2.72 -0.58 -1.26 -1.36 120.64 115.63 2jxj n GLU 111 Ca -0.17 0.92 -0.21 0.00 -0.42 0.00 0.00 57.16 57.28 2jxj n GLU 111 Cb 0.52 -5.79 -0.01 0.00 -0.57 0.00 0.00 31.44 25.59 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 -4.05 -1.69 -3.89 3.49 5.12 -1.26 -4.96 116.66 109.42 2jxj n ARG 112 Ca -0.11 1.02 -0.09 0.00 -1.93 0.00 0.00 57.85 56.73 2jxj n ARG 112 Cb 0.62 -5.68 -0.06 0.00 -1.16 0.00 0.00 32.46 26.19 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 -5.02 1.26 0.24 5.56 1.02 -0.47 -5.15 119.74 117.18 2jxj s LYS 113 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 2jxj s LYS 113 Cb 0.00 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.65 2jxj s LYS 113 CO 0.00 -0.49 1.09 0.42 -0.92 0.00 0.00 175.35 175.45 2jxj s ILE 114 N -3.94 3.64 -0.30 2.17 1.01 -1.26 -0.90 121.20 121.61 2jxj s ILE 114 Ca 0.15 1.56 -0.19 0.00 0.00 0.00 0.00 60.65 62.17 2jxj s ILE 114 Cb 0.02 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 2jxj s ILE 114 CO -0.00 0.33 0.57 -0.22 0.00 0.00 0.00 174.94 175.62 2jxj s LEU 115 N -1.04 4.16 0.28 2.97 0.20 -1.24 -4.86 118.68 119.15 2jxj s LEU 115 Ca 0.46 0.35 -0.29 0.00 0.69 0.00 0.00 54.13 55.34 2jxj s LEU 115 Cb -0.31 -2.72 -0.10 0.00 -0.43 0.00 0.00 46.19 42.63 2jxj s LEU 115 CO 0.38 -0.43 1.40 -0.62 -0.29 0.00 0.00 176.35 176.80 2jxj s ASP 116 N 1.64 6.67 -0.15 3.68 -1.08 -1.26 -4.94 116.67 121.24 2jxj s ASP 116 Ca 0.23 2.70 -0.05 0.00 -0.52 0.00 0.00 52.55 54.91 2jxj s ASP 116 Cb -0.15 -2.63 -0.07 0.00 -1.46 0.00 0.00 42.92 38.60 2jxj s ASP 116 CO 0.11 -0.67 -0.17 0.18 0.52 0.00 0.00 175.17 175.15 2jxj n LEU 117 N 1.77 1.71 0.09 -1.34 4.77 -1.26 -4.23 117.00 118.52 2jxj n LEU 117 Ca 0.04 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2jxj n LEU 117 Cb 0.41 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2jxj n LEU 117 CO 0.60 0.46 0.83 0.22 -1.33 0.00 0.00 177.39 178.17 2jxj h TYR 118 N -0.35 -0.16 -0.30 -1.77 3.20 -1.95 -1.22 116.97 114.43 2jxj h TYR 118 Ca -0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2jxj h TYR 118 Cb 1.38 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 2jxj h TYR 118 CO -0.03 -0.10 0.19 0.00 -1.64 0.00 0.00 178.16 176.59 2jxj h ALA 119 N 0.73 0.37 -0.55 1.82 0.00 -2.00 -2.30 119.26 117.34 2jxj h ALA 119 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jxj h ALA 119 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jxj h ALA 119 CO 0.01 -0.16 0.36 1.25 0.00 0.00 0.00 179.25 180.71 2jxj h LEU 120 N 0.39 0.51 -0.42 0.00 5.85 -1.70 -1.35 115.31 118.59 2jxj h LEU 120 Ca 0.11 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2jxj h LEU 120 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2jxj h LEU 120 CO -0.03 0.34 0.15 -1.28 -0.34 0.00 0.00 178.44 177.28 2jxj h SER 121 N 0.58 0.59 -0.46 1.25 0.87 -0.66 -2.16 113.55 113.57 2jxj h SER 121 Ca 0.23 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2jxj h SER 121 Cb 0.16 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2jxj h SER 121 CO -0.06 0.62 -0.18 0.11 -0.53 0.00 0.00 176.83 176.79 2jxj h LYS 122 N 0.53 0.93 -0.54 2.24 1.79 -1.10 -2.90 116.57 117.53 2jxj h LYS 122 Ca 0.14 -0.39 0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2jxj h LYS 122 Cb 0.23 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 2jxj h LYS 122 CO -0.01 1.05 0.33 0.82 -1.08 0.00 0.00 179.45 180.56 2jxj h ILE 123 N 0.77 1.06 0.04 1.86 2.04 -1.14 0.33 117.51 122.47 2jxj h ILE 123 Ca 0.11 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jxj h ILE 123 Cb 0.75 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2jxj h ILE 123 CO 0.06 0.12 -0.02 0.58 0.00 0.00 0.00 178.15 178.89 2jxj h VAL 124 N 0.65 0.98 -0.27 1.67 2.07 -1.35 -2.32 116.25 117.68 2jxj h VAL 124 Ca 0.21 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2jxj h VAL 124 Cb 0.01 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2jxj h VAL 124 CO -0.09 0.01 0.14 0.00 0.02 0.00 0.00 177.57 177.65 2jxj h ALA 125 N 0.90 0.34 -0.17 1.67 0.00 -1.30 -1.52 119.26 119.18 2jxj h ALA 125 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jxj h ALA 125 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jxj h ALA 125 CO 0.01 -0.12 0.19 0.66 0.00 0.00 0.00 179.25 179.99 2jxj h SER 126 N 0.31 0.00 1.21 0.00 4.64 -0.82 0.10 113.55 119.00 2jxj h SER 126 Ca 0.09 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 2jxj h SER 126 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2jxj h SER 126 CO -0.01 0.00 -0.82 0.11 -0.87 0.00 0.00 176.83 175.24 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.79 -0.82 -3.47 116.57 118.84 2jxj h LYS 127 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2jxj h LYS 127 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2jxj h LYS 127 CO -0.00 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.29 2jxj n GLY 128 N 1.29 0.38 0.00 3.86 0.00 0.35 -4.77 105.19 106.30 2jxj n GLY 128 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.91 0.35 -0.02 0.00 -0.63 -4.86 105.19 102.94 2jxj n GLY 129 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.53 -0.31 1.61 -0.00 -1.26 -4.02 117.46 110.95 2jxj n PHE 130 Ca 0.00 0.24 -0.03 0.00 -0.00 0.00 0.00 57.45 57.66 2jxj n PHE 130 Cb 0.00 0.96 0.09 0.00 -0.00 0.00 0.00 39.48 40.53 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 1.09 -0.60 -4.13 4.39 -1.95 -1.96 114.58 111.41 2jxj h GLU 131 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2jxj h GLU 131 Cb 0.00 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 2jxj h GLU 131 CO 0.00 0.72 0.35 1.98 -1.16 0.00 0.00 179.01 180.90 2jxj h MET 132 N 1.12 0.82 -0.29 2.33 4.05 -1.92 0.63 114.93 121.67 2jxj h MET 132 Ca 0.32 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.61 2jxj h MET 132 Cb -0.08 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 2jxj h MET 132 CO -0.08 0.59 -0.05 0.28 0.23 0.00 0.00 176.91 177.88 2jxj h VAL 133 N 0.83 1.27 -0.15 -5.77 2.07 -1.67 -2.72 116.25 110.11 2jxj h VAL 133 Ca 0.22 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 2jxj h VAL 133 Cb -0.00 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2jxj h VAL 133 CO -0.04 0.34 -0.47 0.74 0.02 0.00 0.00 177.57 178.16 2jxj h THR 134 N 0.32 1.32 -0.63 2.57 2.02 -1.06 0.28 112.91 117.74 2jxj h THR 134 Ca 0.08 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2jxj h THR 134 Cb 0.52 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 2jxj h THR 134 CO 0.02 0.51 0.31 0.11 0.37 0.00 0.00 175.52 176.84 2jxj h LYS 135 N 0.31 0.89 -0.27 6.66 1.79 -0.79 -2.49 116.57 122.67 2jxj h LYS 135 Ca 0.02 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2jxj h LYS 135 Cb 0.94 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2jxj h LYS 135 CO 0.08 0.68 0.00 0.39 -1.08 0.00 0.00 179.45 179.52 2jxj n GLU 136 N -4.36 2.11 -2.65 3.15 1.02 -1.04 -4.96 120.64 113.92 2jxj n GLU 136 Ca 0.06 -1.97 -0.19 0.00 -0.02 0.00 0.00 57.16 55.03 2jxj n GLU 136 Cb 0.12 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2jxj n GLU 136 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jxj n LYS 137 N 1.13 -2.78 0.07 3.49 3.00 0.43 -4.83 118.16 118.67 2jxj n LYS 137 Ca 0.15 0.84 0.09 0.00 -0.00 0.00 0.00 58.31 59.39 2jxj n LYS 137 Cb 0.50 -5.55 0.40 0.00 0.00 0.00 0.00 35.03 30.38 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 -3.29 0.10 -0.20 1.64 5.02 0.70 -3.04 118.16 119.09 2jxj n LYS 138 Ca -0.17 0.36 0.17 0.00 -2.02 0.00 0.00 58.31 56.65 2jxj n LYS 138 Cb 0.64 -1.69 0.51 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.49 -0.51 2.13 4.06 -1.88 0.92 115.95 121.16 2jxj h TRP 139 Ca 0.00 0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 2jxj h TRP 139 Cb 0.29 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 2jxj h TRP 139 CO 0.00 0.16 0.02 0.77 -3.56 0.00 0.00 178.44 175.83 2jxj h SER 140 N 0.40 0.81 0.29 -3.49 0.02 -1.88 -2.65 113.55 107.06 2jxj h SER 140 Ca 0.42 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2jxj h SER 140 Cb 1.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2jxj h SER 140 CO -0.14 0.87 -0.49 0.11 -1.14 0.00 0.00 176.83 176.04 2jxj h LYS 141 N 0.79 0.23 -0.35 3.45 1.57 -1.06 -3.04 116.57 118.17 2jxj h LYS 141 Ca 0.15 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2jxj h LYS 141 Cb 0.45 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jxj h LYS 141 CO 0.02 0.67 0.21 0.28 -0.57 0.00 0.00 179.45 180.07 2jxj h VAL 142 N 0.19 1.06 -0.71 0.50 2.07 -1.03 -2.19 116.25 116.13 2jxj h VAL 142 Ca 0.01 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2jxj h VAL 142 Cb 0.93 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2jxj h VAL 142 CO 0.08 0.08 0.26 1.23 0.02 0.00 0.00 177.57 179.23 2jxj h GLY 143 N 0.44 1.16 1.41 2.17 0.00 -1.48 -2.39 103.07 104.37 2jxj h GLY 143 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2jxj h GLY 143 CO -0.05 0.62 0.40 1.76 0.00 0.00 0.00 176.54 179.26 2jxj h SER 144 N 1.03 0.68 0.22 0.19 0.02 -1.38 0.36 113.55 114.68 2jxj h SER 144 Ca 0.23 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 2jxj h SER 144 Cb 0.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2jxj h SER 144 CO -0.01 0.49 -0.56 0.03 -1.14 0.00 0.00 176.83 175.64 2jxj h ARG 145 N 0.80 0.35 0.07 3.45 3.08 -1.04 -3.35 114.38 117.74 2jxj h ARG 145 Ca 0.22 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jxj h ARG 145 Cb -0.08 0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jxj h ARG 145 CO -0.05 0.82 -0.03 1.25 -1.07 0.00 0.00 179.97 180.89 2jxj h LEU 146 N 0.27 -0.08 0.00 3.04 5.85 -0.83 -3.48 115.31 120.09 2jxj h LEU 146 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jxj h LEU 146 Cb 1.06 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2jxj h LEU 146 CO 0.09 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.84 2jxj n GLY 147 N 1.14 0.00 3.64 3.75 0.00 -0.08 -5.11 105.19 108.54 2jxj n GLY 147 Ca -0.01 0.00 -0.23 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 0.00 2.70 0.13 1.61 2.02 -0.10 -5.00 117.35 118.71 2jxj s TYR 148 Ca 0.00 -0.22 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 2jxj s TYR 148 Cb 0.00 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2jxj s TYR 148 CO 0.00 0.62 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.03 2jxj s LEU 149 N -3.64 3.16 -0.91 -1.29 1.43 -1.26 -4.26 118.68 111.91 2jxj s LEU 149 Ca 0.31 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2jxj s LEU 149 Cb -0.07 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2jxj s LEU 149 CO 0.20 0.15 1.92 -2.16 0.23 0.00 0.00 176.35 176.68 2jxj s PRO 150 N -2.48 2.62 0.00 1.29 0.04 -1.26 -4.91 135.00 130.30 2jxj s PRO 150 Ca 0.24 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2jxj s PRO 150 Cb -0.10 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2jxj s PRO 150 CO 0.16 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.29 2jxj n GLY 151 N 6.84 2.42 0.12 0.56 0.00 -1.26 -5.06 105.19 108.82 2jxj n GLY 151 Ca 0.40 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 2jxj n GLY 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxj n LYS 152 N 0.00 0.66 -3.51 1.61 4.76 -1.26 -4.85 118.16 115.57 2jxj n LYS 152 Ca 0.00 0.41 -0.27 0.00 -2.87 0.00 0.00 58.31 55.59 2jxj n LYS 152 Cb 0.00 -1.72 -0.14 0.00 -1.84 0.00 0.00 35.03 31.33 2jxj n LYS 152 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2jxj s GLY 153 N -5.24 0.36 0.00 0.72 0.00 -1.26 -4.96 107.32 96.95 2jxj s GLY 153 Ca -0.26 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2jxj s GLY 153 CO 0.68 2.18 0.00 2.41 0.00 0.00 0.00 173.10 178.37 2jxj n THR 154 N 5.26 0.00 -0.01 0.90 -1.04 -1.26 -4.80 114.28 113.33 2jxj n THR 154 Ca -0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.01 2jxj n THR 154 Cb 0.43 -0.58 0.44 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.57 1.07 3.41 0.00 -1.92 -1.78 103.07 104.42 2jxj h GLY 155 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 2jxj h GLY 155 CO 0.00 0.19 0.06 1.76 0.00 0.00 0.00 176.54 178.55 2jxj h SER 156 N 0.52 1.05 -0.41 0.19 0.02 -1.96 -2.55 113.55 110.41 2jxj h SER 156 Ca 0.17 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2jxj h SER 156 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jxj h SER 156 CO -0.04 1.07 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.39 2jxj h LEU 157 N 1.00 0.96 -1.06 5.07 4.07 -1.68 -2.32 115.31 121.35 2jxj h LEU 157 Ca 0.19 -0.38 0.01 0.00 0.08 0.00 0.00 57.88 57.78 2jxj h LEU 157 Cb 0.49 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 2jxj h LEU 157 CO 0.02 1.16 0.64 -0.07 -1.08 0.00 0.00 178.44 179.10 2jxj h LEU 158 N 0.79 1.10 -0.33 1.67 3.38 -1.18 0.16 115.31 120.90 2jxj h LEU 158 Ca 0.10 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2jxj h LEU 158 Cb 0.83 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jxj h LEU 158 CO 0.07 0.80 -0.39 0.50 0.09 0.00 0.00 178.44 179.51 2jxj h LYS 159 N 1.30 0.85 -0.23 1.13 3.11 -1.34 0.45 116.57 121.85 2jxj h LYS 159 Ca 0.35 -0.47 -0.04 0.00 -2.81 0.00 0.00 60.65 57.67 2jxj h LYS 159 Cb -0.15 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 2jxj h LYS 159 CO -0.08 1.11 -0.03 0.77 -2.81 0.00 0.00 179.45 178.42 2jxj h SER 160 N 0.64 0.42 -0.28 4.20 0.02 -0.95 -1.01 113.55 116.59 2jxj h SER 160 Ca 0.05 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2jxj h SER 160 Cb 0.98 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2jxj h SER 160 CO 0.09 0.66 -0.09 0.45 -1.14 0.00 0.00 176.83 176.81 2jxj h HIS 161 N 0.17 0.62 -0.65 3.45 3.86 -0.72 -3.14 115.15 118.75 2jxj h HIS 161 Ca 0.06 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2jxj h HIS 161 Cb 0.47 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 2jxj h HIS 161 CO 0.04 0.77 0.43 -0.92 0.86 0.00 0.00 177.93 179.11 2jxj h TYR 162 N 0.30 0.81 -3.13 2.45 3.20 -0.90 -3.25 116.97 116.45 2jxj h TYR 162 Ca 0.07 0.02 -0.80 0.00 3.14 0.00 0.00 58.73 61.15 2jxj h TYR 162 Cb 0.58 -0.27 -0.28 0.00 1.54 0.00 0.00 36.73 38.31 2jxj h TYR 162 CO 0.06 0.50 0.69 -1.91 -1.64 0.00 0.00 178.16 175.86 2jxj n GLU 163 N -4.64 4.12 0.00 1.82 2.13 -0.39 -1.01 120.64 122.68 2jxj n GLU 163 Ca 0.05 -4.50 0.00 0.00 0.66 0.00 0.00 57.16 53.37 2jxj n GLU 163 Cb 0.02 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.20 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 1.88 0.00 0.00 5.31 1.74 -1.23 -4.80 116.66 119.56 2jxj n ARG 164 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2jxj n ARG 164 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 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 -1.09 0.00 -0.06 0.55 5.41 -1.25 -4.74 119.36 118.17 2jxj n ILE 165 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 2jxj n ILE 165 Cb 0.00 -0.42 -0.01 0.00 -0.71 0.00 0.00 39.64 38.50 2jxj n ILE 165 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2jxj h LEU 166 N 0.00 0.00 -0.74 1.39 5.85 -1.77 -3.36 115.31 116.69 2jxj h LEU 166 Ca 0.00 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.88 2jxj h LEU 166 Cb 0.70 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 2jxj h LEU 166 CO 0.00 0.65 0.07 0.22 -0.34 0.00 0.00 178.44 179.05 2jxj h TYR 167 N -1.00 0.08 -0.61 1.25 3.20 -1.39 0.10 116.97 118.60 2jxj h TYR 167 Ca -0.00 0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2jxj h TYR 167 Cb 0.30 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2jxj h TYR 167 CO -0.13 -0.18 0.43 -1.35 -1.64 0.00 0.00 178.16 175.29 2jxj h PRO 168 N 0.16 0.15 0.13 1.82 0.11 -1.82 -2.31 132.00 130.22 2jxj h PRO 168 Ca 0.41 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.53 2jxj h PRO 168 Cb 0.73 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 2jxj h PRO 168 CO -0.60 0.10 -0.19 -0.92 -0.21 0.00 0.00 178.00 176.18 2jxj h TYR 169 N 0.15 -0.49 -0.12 0.65 3.20 -0.93 0.34 116.97 119.77 2jxj h TYR 169 Ca 0.29 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.20 2jxj h TYR 169 Cb 0.95 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2jxj h TYR 169 CO -0.00 -0.27 -0.05 0.93 -1.64 0.00 0.00 178.16 177.12 2jxj h GLU 170 N -0.37 -0.04 -0.36 1.82 5.08 -1.48 -1.88 114.58 117.36 2jxj h GLU 170 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jxj h GLU 170 Cb 0.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jxj h GLU 170 CO -0.09 -0.02 0.15 -0.07 -1.00 0.00 0.00 179.01 177.97 2jxj h LEU 171 N -0.04 0.45 -1.38 1.33 -0.00 -1.39 -0.86 115.31 113.43 2jxj h LEU 171 Ca 0.07 -0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.96 2jxj h LEU 171 Cb 0.14 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 2jxj h LEU 171 CO -0.15 0.41 0.46 0.15 -0.00 0.00 0.00 178.44 179.32 2jxj h PHE 172 N 0.50 0.77 0.12 1.13 3.04 0.51 0.97 116.94 123.99 2jxj h PHE 172 Ca 0.13 0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.83 2jxj h PHE 172 Cb 0.10 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.35 2jxj h PHE 172 CO 0.00 0.42 -1.34 1.96 -2.02 0.00 0.00 178.31 177.34 2jxj h GLN 173 N 0.78 0.26 -1.01 1.11 4.20 -1.11 -3.34 115.11 116.00 2jxj h GLN 173 Ca 0.30 -0.44 -0.46 0.00 0.06 0.00 0.00 58.65 58.11 2jxj h GLN 173 Cb 0.19 0.16 -0.26 0.00 0.30 0.00 0.00 27.48 27.87 2jxj h GLN 173 CO -0.09 1.21 0.58 0.43 -0.67 0.00 0.00 178.83 180.29 2jxj n SER 174 N -3.95 3.96 0.00 1.46 7.64 -0.39 -5.14 113.62 117.20 2jxj n SER 174 Ca -0.23 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.25 2jxj n SER 174 Cb 0.89 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64