#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj n PRO 81 N 0.00 -0.54 -2.54 1.61 -0.04 -1.26 -4.87 135.00 127.37 2jxj n PRO 81 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2jxj n PRO 81 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2jxj n PRO 81 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jxj n LEU 82 N 0.00 -6.30 0.00 1.53 4.32 -1.26 -5.01 117.00 110.29 2jxj n LEU 82 Ca 0.00 2.50 0.00 0.00 -0.02 0.00 0.00 56.01 58.49 2jxj n LEU 82 Cb 0.00 -3.29 0.00 0.00 -1.62 0.00 0.00 43.42 38.51 2jxj n LEU 82 CO 0.00 -3.78 0.00 0.61 -1.22 0.00 0.00 177.39 173.00 2jxj n GLY 83 N 1.77 0.12 2.55 -0.72 0.00 -1.26 -4.99 105.19 102.66 2jxj n GLY 83 Ca -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.18 1.18 -0.02 1.61 2.88 -1.26 -4.92 113.62 111.91 2jxj n SER 84 Ca 0.00 -2.03 -0.13 0.00 -1.33 0.00 0.00 58.87 55.38 2jxj n SER 84 Cb 0.00 -0.34 -0.10 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 2.14 -0.04 -0.75 -1.46 3.08 -1.99 -2.75 114.38 112.61 2jxj h ARG 85 Ca -0.19 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2jxj h ARG 85 Cb 1.39 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 2jxj h ARG 85 CO 0.13 0.60 0.28 -0.39 -1.07 0.00 0.00 179.97 179.52 2jxj h VAL 86 N -0.73 1.26 -0.20 2.04 -1.51 -1.99 -0.92 116.25 114.20 2jxj h VAL 86 Ca -0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2jxj h VAL 86 Cb 0.66 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 2jxj h VAL 86 CO 0.01 0.33 0.13 -0.09 -1.23 0.00 0.00 177.57 176.72 2jxj h ARG 87 N 1.10 0.26 -0.58 5.19 2.43 -1.93 -1.67 114.38 119.20 2jxj h ARG 87 Ca 0.25 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 2jxj h ARG 87 Cb 0.24 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jxj h ARG 87 CO -0.02 0.18 -0.00 1.25 -1.51 0.00 0.00 179.97 179.87 2jxj h LEU 88 N 0.26 1.00 -0.77 3.80 6.46 -1.31 -2.88 115.31 121.87 2jxj h LEU 88 Ca 0.07 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.57 2jxj h LEU 88 Cb -0.02 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.59 2jxj h LEU 88 CO -0.02 1.07 0.48 0.44 -0.62 0.00 0.00 178.44 179.79 2jxj h ASP 89 N 0.91 0.76 -0.63 1.25 3.32 -0.91 -2.18 116.42 118.94 2jxj h ASP 89 Ca 0.16 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2jxj h ASP 89 Cb 0.55 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2jxj h ASP 89 CO 0.03 0.50 0.30 0.15 -1.72 0.00 0.00 179.24 178.50 2jxj h PHE 90 N 0.90 0.91 -0.29 4.55 3.57 -1.17 -2.37 116.94 123.03 2jxj h PHE 90 Ca 0.33 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2jxj h PHE 90 Cb 0.10 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2jxj h PHE 90 CO -0.04 0.69 0.15 -0.07 -2.23 0.00 0.00 178.31 176.80 2jxj h LEU 91 N 0.86 0.35 -0.40 0.59 3.38 -1.20 -2.02 115.31 116.87 2jxj h LEU 91 Ca 0.21 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2jxj h LEU 91 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jxj h LEU 91 CO -0.03 0.30 0.02 0.44 0.09 0.00 0.00 178.44 179.26 2jxj h ASP 92 N 0.40 0.67 -0.59 -0.43 3.32 -0.89 -1.75 116.42 117.16 2jxj h ASP 92 Ca 0.10 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 2jxj h ASP 92 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2jxj h ASP 92 CO -0.02 0.80 0.03 1.56 -1.72 0.00 0.00 179.24 179.90 2jxj h GLN 93 N 0.52 1.03 -0.28 3.56 1.08 -1.20 0.76 115.11 120.58 2jxj h GLN 93 Ca 0.12 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2jxj h GLN 93 Cb 0.44 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2jxj h GLN 93 CO 0.02 1.00 0.12 1.25 -0.95 0.00 0.00 178.83 180.26 2jxj h LEU 94 N 0.92 0.38 -0.33 1.46 6.46 -1.29 0.78 115.31 123.70 2jxj h LEU 94 Ca 0.17 -0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 2jxj h LEU 94 Cb 0.51 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2jxj h LEU 94 CO 0.02 0.43 -0.34 0.00 -0.62 0.00 0.00 178.44 177.93 2jxj h ALA 95 N 0.97 0.48 -0.36 1.25 0.00 -1.24 -2.52 119.26 117.85 2jxj h ALA 95 Ca 0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2jxj h ALA 95 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jxj h ALA 95 CO -0.01 0.55 0.07 0.87 0.00 0.00 0.00 179.25 180.73 2jxj h LYS 96 N 0.59 0.59 -0.09 0.00 1.57 -0.76 -0.27 116.57 118.19 2jxj h LYS 96 Ca 0.05 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jxj h LYS 96 Cb 0.93 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jxj h LYS 96 CO 0.08 0.65 0.06 0.35 -0.57 0.00 0.00 179.45 180.02 2jxj h PHE 97 N 0.43 0.12 -0.18 -1.35 3.57 -0.86 -2.62 116.94 116.05 2jxj h PHE 97 Ca 0.11 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2jxj h PHE 97 Cb 0.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2jxj h PHE 97 CO 0.02 0.11 -0.22 -1.49 -2.23 0.00 0.00 178.31 174.51 2jxj h TRP 98 N 0.10 0.33 -0.88 0.41 4.06 -1.41 -2.90 115.95 115.66 2jxj h TRP 98 Ca 0.03 -0.06 0.09 0.00 2.06 0.00 0.00 58.89 61.02 2jxj h TRP 98 Cb 0.02 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.02 2jxj h TRP 98 CO -0.06 0.51 0.53 1.49 -3.56 0.00 0.00 178.44 177.35 2jxj h GLU 99 N 0.28 0.88 -0.07 0.49 4.57 -0.67 0.02 114.58 120.08 2jxj h GLU 99 Ca 0.05 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2jxj h GLU 99 Cb 0.54 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2jxj h GLU 99 CO 0.04 0.58 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.31 2jxj h LEU 100 N 0.91 0.10 -0.35 1.64 3.38 -1.35 -2.36 115.31 117.28 2jxj h LEU 100 Ca 0.41 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.21 2jxj h LEU 100 Cb 0.32 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jxj h LEU 100 CO -0.23 0.19 -0.44 1.56 0.09 0.00 0.00 178.44 179.61 2jxj h GLN 101 N 0.11 0.91 0.00 1.13 1.08 -1.06 -3.48 115.11 113.80 2jxj h GLN 101 Ca 0.02 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2jxj h GLN 101 Cb 0.20 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2jxj h GLN 101 CO 0.01 1.16 0.00 0.41 -0.95 0.00 0.00 178.83 179.46 2jxj n GLY 102 N 0.22 1.62 0.01 3.46 0.00 -0.89 -5.00 105.19 104.61 2jxj n GLY 102 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 3.62 -1.29 1.61 7.64 -1.20 -5.06 113.62 118.95 2jxj n SER 103 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2jxj n SER 103 Cb 0.00 1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 64.29 2jxj n SER 103 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jxj n THR 104 N -1.81 -0.07 -4.33 0.44 -2.24 -1.20 -4.83 114.28 100.25 2jxj n THR 104 Ca -0.03 0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.85 2jxj n THR 104 Cb 0.26 -0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 2jxj n THR 104 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jxj s LEU 105 N -6.50 2.76 -0.26 3.22 2.96 -1.26 -4.79 118.68 114.80 2jxj s LEU 105 Ca 0.00 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2jxj s LEU 105 Cb 0.00 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 45.09 2jxj s LEU 105 CO 0.00 0.07 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.25 2jxj s LYS 106 N 0.92 2.25 -0.24 1.98 2.47 -1.26 -4.99 119.74 120.86 2jxj s LYS 106 Ca -0.02 -1.34 -0.28 0.00 -1.56 0.00 0.00 55.97 52.76 2jxj s LYS 106 Cb -0.15 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 2jxj s LYS 106 CO -0.00 -0.58 2.12 0.42 0.16 0.00 0.00 175.35 177.47 2jxj s ILE 107 N 1.11 3.12 -0.03 5.43 1.01 -1.26 -4.94 121.20 125.64 2jxj s ILE 107 Ca -0.09 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 2jxj s ILE 107 Cb -0.20 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2jxj s ILE 107 CO -0.05 -0.10 1.19 -2.16 0.00 0.00 0.00 174.94 173.82 2jxj s PRO 108 N 6.17 4.38 -0.32 2.79 0.04 -1.26 -5.01 135.00 141.79 2jxj s PRO 108 Ca 0.95 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 2jxj s PRO 108 Cb -0.31 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.70 2jxj s PRO 108 CO 0.35 -0.39 0.47 0.08 0.04 0.00 0.00 177.00 177.54 2jxj s VAL 109 N 1.96 5.07 -0.03 -0.36 1.01 -1.26 -3.60 120.40 123.20 2jxj s VAL 109 Ca 0.56 0.44 0.05 0.00 0.00 0.00 0.00 61.98 63.03 2jxj s VAL 109 Cb -0.25 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2jxj s VAL 109 CO 0.23 -0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 2jxj s VAL 110 N 2.27 1.52 -1.49 2.92 1.01 -0.40 -4.73 120.40 121.51 2jxj s VAL 110 Ca 0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2jxj s VAL 110 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2jxj s VAL 110 CO 0.12 0.43 0.69 -0.62 0.00 0.00 0.00 175.10 175.72 2jxj n GLU 111 N 2.83 -5.28 -2.37 2.72 -0.58 -1.26 -1.52 120.64 115.18 2jxj n GLU 111 Ca -0.16 0.88 -0.19 0.00 -0.42 0.00 0.00 57.16 57.26 2jxj n GLU 111 Cb 0.53 -5.71 -0.01 0.00 -0.57 0.00 0.00 31.44 25.67 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 -4.10 -1.79 -4.03 3.49 0.63 -1.26 -4.95 116.66 104.66 2jxj n ARG 112 Ca -0.09 0.93 -0.10 0.00 -0.92 0.00 0.00 57.85 57.67 2jxj n ARG 112 Cb 0.61 -5.57 -0.07 0.00 0.45 0.00 0.00 32.46 27.87 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2jxj s LYS 113 N -4.98 1.21 0.15 -0.14 2.20 -0.58 -5.15 119.74 112.45 2jxj s LYS 113 Ca 0.00 -1.29 -0.23 0.00 -0.36 0.00 0.00 55.97 54.09 2jxj s LYS 113 Cb 0.00 0.36 -0.08 0.00 -1.51 0.00 0.00 37.83 36.61 2jxj s LYS 113 CO 0.00 -0.44 0.72 0.42 -0.36 0.00 0.00 175.35 175.69 2jxj s ILE 114 N -4.02 4.48 -0.41 5.43 -1.09 -1.26 -1.27 121.20 123.06 2jxj s ILE 114 Ca 0.22 1.53 -0.20 0.00 -2.23 0.00 0.00 60.65 59.98 2jxj s ILE 114 Cb 0.04 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2jxj s ILE 114 CO 0.04 0.49 0.59 -0.22 -1.23 0.00 0.00 174.94 174.61 2jxj s LEU 115 N -1.24 4.51 1.33 2.97 0.20 -1.24 -4.91 118.68 120.31 2jxj s LEU 115 Ca 0.35 -0.30 -0.19 0.00 0.69 0.00 0.00 54.13 54.68 2jxj s LEU 115 Cb -0.21 -2.66 0.33 0.00 -0.43 0.00 0.00 46.19 43.22 2jxj s LEU 115 CO 0.24 -0.69 0.86 -0.67 -0.29 0.00 0.00 176.35 175.80 2jxj n ASP 116 N 6.06 -3.13 0.09 3.68 2.03 -1.26 -4.91 116.55 119.11 2jxj n ASP 116 Ca -0.03 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2jxj n ASP 116 Cb 0.48 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 2jxj n ASP 116 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jxj n LEU 117 N -5.10 -0.44 0.08 -2.67 4.77 -1.26 -4.76 117.00 107.63 2jxj n LEU 117 Ca 0.08 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2jxj n LEU 117 Cb 0.57 0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 42.15 2jxj n LEU 117 CO 0.47 -0.57 0.81 0.22 -1.33 0.00 0.00 177.39 176.99 2jxj h TYR 118 N 0.00 -0.20 -0.76 -1.77 3.20 -1.95 0.31 116.97 115.79 2jxj h TYR 118 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2jxj h TYR 118 Cb 0.00 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2jxj h TYR 118 CO 0.00 -0.13 0.31 0.00 -1.64 0.00 0.00 178.16 176.71 2jxj h ALA 119 N 0.74 1.11 -0.41 1.82 0.00 -2.01 -2.77 119.26 117.74 2jxj h ALA 119 Ca 0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2jxj h ALA 119 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jxj h ALA 119 CO -0.03 0.64 -0.30 1.25 0.00 0.00 0.00 179.25 180.81 2jxj h LEU 120 N 1.11 0.94 -1.07 0.00 5.85 -1.78 -2.88 115.31 117.47 2jxj h LEU 120 Ca 0.26 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2jxj h LEU 120 Cb 0.19 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2jxj h LEU 120 CO -0.02 1.16 0.62 -1.28 -0.34 0.00 0.00 178.44 178.58 2jxj h SER 121 N 0.76 1.00 -0.45 1.25 0.87 -0.12 -2.10 113.55 114.76 2jxj h SER 121 Ca 0.08 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 2jxj h SER 121 Cb 0.86 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2jxj h SER 121 CO 0.08 0.66 -0.18 0.11 -0.53 0.00 0.00 176.83 176.97 2jxj h LYS 122 N 1.15 0.91 -0.42 2.24 1.79 -1.40 -2.89 116.57 117.96 2jxj h LYS 122 Ca 0.40 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2jxj h LYS 122 Cb 0.12 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 2jxj h LYS 122 CO -0.14 1.04 0.24 0.82 -1.08 0.00 0.00 179.45 180.32 2jxj h ILE 123 N 0.75 1.03 -0.01 1.86 2.04 -1.19 -0.47 117.51 121.53 2jxj h ILE 123 Ca 0.10 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2jxj h ILE 123 Cb 0.74 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jxj h ILE 123 CO 0.06 0.09 -0.02 0.58 0.00 0.00 0.00 178.15 178.85 2jxj h VAL 124 N 0.48 0.94 -0.40 1.67 2.07 -1.39 -2.44 116.25 117.18 2jxj h VAL 124 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2jxj h VAL 124 Cb 0.02 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2jxj h VAL 124 CO -0.08 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.75 2jxj h ALA 125 N 0.97 0.50 -0.18 1.67 0.00 -1.31 -1.37 119.26 119.54 2jxj h ALA 125 Ca 0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jxj h ALA 125 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jxj h ALA 125 CO -0.03 -0.08 0.20 0.66 0.00 0.00 0.00 179.25 180.00 2jxj h SER 126 N 0.49 0.00 1.23 0.00 4.64 -0.88 0.12 113.55 119.15 2jxj h SER 126 Ca 0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 2jxj h SER 126 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2jxj h SER 126 CO -0.06 0.00 -0.81 0.11 -0.87 0.00 0.00 176.83 175.20 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.79 -0.81 -3.47 116.57 118.85 2jxj h LYS 127 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2jxj h LYS 127 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2jxj h LYS 127 CO -0.00 0.37 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 2jxj n GLY 128 N 1.27 0.47 0.00 3.86 0.00 0.40 -4.70 105.19 106.50 2jxj n GLY 128 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.44 0.15 -0.02 0.00 -0.62 -4.85 105.19 103.30 2jxj n GLY 129 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.68 -0.29 1.61 -0.00 -1.26 -4.11 117.46 111.72 2jxj n PHE 130 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.45 57.49 2jxj n PHE 130 Cb 0.00 0.48 0.08 0.00 -0.00 0.00 0.00 39.48 40.04 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 1.03 -0.44 -4.13 5.08 -1.95 -1.73 114.58 112.44 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 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2jxj h GLU 131 CO 0.00 0.68 0.23 0.52 -1.00 0.00 0.00 179.01 179.44 2jxj h MET 132 N 1.06 0.59 -0.21 2.33 2.86 -1.88 0.78 114.93 120.46 2jxj h MET 132 Ca 0.31 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 2jxj h MET 132 Cb -0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 2jxj h MET 132 CO -0.08 0.45 -0.03 0.28 1.06 0.00 0.00 176.91 178.58 2jxj h VAL 133 N 0.60 1.27 -0.19 -2.22 2.07 -1.61 -2.67 116.25 113.50 2jxj h VAL 133 Ca 0.16 -0.98 -0.14 0.00 0.82 0.00 0.00 66.70 66.56 2jxj h VAL 133 Cb 0.03 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jxj h VAL 133 CO -0.03 0.30 -0.45 0.74 0.02 0.00 0.00 177.57 178.15 2jxj h THR 134 N 0.13 1.31 -0.10 2.57 2.02 -1.05 0.42 112.91 118.21 2jxj h THR 134 Ca 0.06 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2jxj h THR 134 Cb 0.46 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2jxj h THR 134 CO 0.02 0.51 -0.03 0.11 0.37 0.00 0.00 175.52 176.50 2jxj h LYS 135 N 0.39 0.14 0.00 6.66 1.57 -0.78 -2.48 116.57 122.06 2jxj h LYS 135 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jxj h LYS 135 Cb 0.95 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2jxj h LYS 135 CO 0.08 0.19 -0.99 0.39 -0.57 0.00 0.00 179.45 178.55 2jxj n GLU 136 N -4.42 1.25 -2.78 3.15 1.02 -1.02 -4.99 120.64 112.86 2jxj n GLU 136 Ca -0.01 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.94 2jxj n GLU 136 Cb 0.16 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.54 -3.40 0.00 3.49 4.81 0.14 -4.89 118.16 116.77 2jxj n LYS 137 Ca 0.02 0.65 0.15 0.00 -0.87 0.00 0.00 58.31 58.26 2jxj n LYS 137 Cb 0.30 -4.96 0.77 0.00 0.02 0.00 0.00 35.03 31.16 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 -3.05 0.55 -0.26 1.64 4.76 -0.53 -3.76 118.16 117.51 2jxj n LYS 138 Ca -0.08 -0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2jxj n LYS 138 Cb 0.59 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.62 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 0.07 0.87 -0.69 2.13 4.06 -1.91 -1.01 115.95 119.48 2jxj h TRP 139 Ca 0.00 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 2jxj h TRP 139 Cb 0.25 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 2jxj h TRP 139 CO 0.00 0.38 0.32 0.77 -3.56 0.00 0.00 178.44 176.35 2jxj h SER 140 N 0.79 0.91 -0.21 -3.49 0.02 -1.87 -2.48 113.55 107.23 2jxj h SER 140 Ca 0.41 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2jxj h SER 140 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2jxj h SER 140 CO -0.17 0.80 -0.11 0.11 -1.14 0.00 0.00 176.83 176.32 2jxj h LYS 141 N 0.96 0.58 -0.17 3.45 1.57 -1.46 -2.97 116.57 118.53 2jxj h LYS 141 Ca 0.23 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jxj h LYS 141 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jxj h LYS 141 CO -0.03 0.68 0.10 0.28 -0.57 0.00 0.00 179.45 179.92 2jxj h VAL 142 N 0.54 1.02 -0.72 0.50 2.07 -0.91 -1.98 116.25 116.77 2jxj h VAL 142 Ca 0.10 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2jxj h VAL 142 Cb 0.51 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2jxj h VAL 142 CO 0.03 0.04 0.47 1.23 0.02 0.00 0.00 177.57 179.36 2jxj h GLY 143 N 0.21 1.00 1.27 2.17 0.00 -1.36 -1.45 103.07 104.91 2jxj h GLY 143 Ca 0.07 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2jxj h GLY 143 CO -0.03 0.32 -0.09 1.76 0.00 0.00 0.00 176.54 178.50 2jxj h SER 144 N 0.90 0.85 0.15 0.19 0.02 -1.31 -2.55 113.55 111.80 2jxj h SER 144 Ca 0.28 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2jxj h SER 144 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jxj h SER 144 CO -0.07 0.97 -0.46 0.03 -1.14 0.00 0.00 176.83 176.15 2jxj h ARG 145 N 0.78 0.38 -0.63 3.45 3.08 -0.63 -3.09 114.38 117.71 2jxj h ARG 145 Ca 0.13 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2jxj h ARG 145 Cb 0.59 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2jxj h ARG 145 CO 0.04 0.76 0.24 1.25 -1.07 0.00 0.00 179.97 181.19 2jxj h LEU 146 N 0.30 0.89 0.00 3.04 5.85 -1.05 -3.46 115.31 120.88 2jxj h LEU 146 Ca 0.02 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jxj h LEU 146 Cb 0.93 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2jxj h LEU 146 CO 0.08 0.83 0.00 0.61 -0.34 0.00 0.00 178.44 179.62 2jxj n GLY 147 N -0.80 0.22 3.88 3.75 0.00 -1.05 -5.09 105.19 106.10 2jxj n GLY 147 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.25 2.90 0.35 1.61 1.51 -0.99 -5.04 117.35 117.44 2jxj s TYR 148 Ca 0.00 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 2jxj s TYR 148 Cb 0.00 -1.92 -0.07 0.00 -0.11 0.00 0.00 41.96 39.87 2jxj s TYR 148 CO 0.00 0.07 0.69 -0.51 -1.11 0.00 0.00 175.55 174.70 2jxj s LEU 149 N -4.06 3.95 0.44 -1.29 1.43 -1.26 -4.77 118.68 113.12 2jxj s LEU 149 Ca 0.43 1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 54.33 2jxj s LEU 149 Cb -0.06 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 2jxj s LEU 149 CO 0.28 -0.29 1.20 -2.16 0.23 0.00 0.00 176.35 175.61 2jxj s PRO 150 N -3.55 3.84 0.00 1.29 0.04 -1.26 -4.96 135.00 130.40 2jxj s PRO 150 Ca 0.50 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2jxj s PRO 150 Cb -0.10 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2jxj s PRO 150 CO 0.28 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2jxj n GLY 151 N 0.57 -0.99 3.15 0.56 0.00 -1.26 -5.13 105.19 102.09 2jxj n GLY 151 Ca 0.06 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.98 2.00 0.00 1.61 1.02 -1.26 -4.77 119.74 116.36 2jxj s LYS 152 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2jxj s LYS 152 Cb 0.00 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2jxj s LYS 152 CO 0.00 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2jxj n GLY 153 N 3.23 1.89 0.01 -3.33 0.00 -1.26 -5.02 105.19 100.72 2jxj n GLY 153 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.70 0.13 -0.36 2.61 -1.04 -1.26 -4.62 114.28 109.03 2jxj n THR 154 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2jxj n THR 154 Cb 0.00 -0.59 0.15 0.00 -1.82 0.00 0.00 70.33 68.08 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 0.18 1.44 1.19 3.41 0.00 -1.90 -1.49 103.07 105.89 2jxj h GLY 155 Ca -0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2jxj h GLY 155 CO -0.01 0.43 0.44 1.76 0.00 0.00 0.00 176.54 179.16 2jxj h SER 156 N 1.25 0.95 -0.23 0.19 0.02 -1.95 -1.36 113.55 112.42 2jxj h SER 156 Ca 0.39 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 2jxj h SER 156 Cb -0.00 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 2jxj h SER 156 CO -0.12 0.75 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.03 2jxj h LEU 157 N 1.08 0.59 -1.00 5.07 4.07 -1.63 -2.17 115.31 121.32 2jxj h LEU 157 Ca 0.28 -0.47 0.01 0.00 0.08 0.00 0.00 57.88 57.78 2jxj h LEU 157 Cb -0.00 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.52 2jxj h LEU 157 CO -0.05 0.93 0.66 -0.07 -1.08 0.00 0.00 178.44 178.84 2jxj h LEU 158 N 0.25 1.15 -0.37 1.67 3.38 -0.98 0.17 115.31 120.57 2jxj h LEU 158 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2jxj h LEU 158 Cb 0.76 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2jxj h LEU 158 CO 0.05 0.83 -0.07 0.50 0.09 0.00 0.00 178.44 179.85 2jxj h LYS 159 N 1.35 0.70 -0.22 1.13 3.64 -1.21 0.10 116.57 122.06 2jxj h LYS 159 Ca 0.37 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2jxj h LYS 159 Cb -0.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2jxj h LYS 159 CO -0.08 0.84 -0.03 0.77 -2.27 0.00 0.00 179.45 178.68 2jxj h SER 160 N 0.50 0.41 -0.54 4.20 0.02 -0.99 -2.20 113.55 114.96 2jxj h SER 160 Ca 0.10 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 2jxj h SER 160 Cb 0.57 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2jxj h SER 160 CO 0.03 0.66 0.04 0.45 -1.14 0.00 0.00 176.83 176.87 2jxj h HIS 161 N 0.16 1.00 -0.37 3.45 3.86 -0.66 -3.05 115.15 119.53 2jxj h HIS 161 Ca 0.06 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2jxj h HIS 161 Cb 0.47 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 2jxj h HIS 161 CO 0.05 0.91 0.19 -0.92 0.86 0.00 0.00 177.93 179.01 2jxj h TYR 162 N 0.81 0.36 -1.17 2.45 3.20 -0.75 -2.59 116.97 119.27 2jxj h TYR 162 Ca 0.16 0.01 -0.54 0.00 3.14 0.00 0.00 58.73 61.50 2jxj h TYR 162 Cb 0.48 -0.11 -0.20 0.00 1.54 0.00 0.00 36.73 38.45 2jxj h TYR 162 CO 0.04 0.19 0.57 -1.91 -1.64 0.00 0.00 178.16 175.41 2jxj n GLU 163 N -4.92 2.41 0.00 1.82 2.13 -0.83 -0.70 120.64 120.55 2jxj n GLU 163 Ca 0.01 -2.55 0.00 0.00 0.66 0.00 0.00 57.16 55.28 2jxj n GLU 163 Cb 0.08 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.68 2jxj n GLU 163 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jxj n ARG 164 N 0.38 0.00 0.00 5.31 0.63 -0.98 -4.84 116.66 117.16 2jxj n ARG 164 Ca 0.48 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 2jxj n ARG 164 Cb 0.50 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jxj n ILE 165 N -2.16 0.01 0.36 5.15 -0.00 -1.23 -4.71 119.36 116.77 2jxj n ILE 165 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.61 2jxj n ILE 165 Cb 0.18 -1.04 -0.07 0.00 -0.00 0.00 0.00 39.64 38.71 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 -0.79 0.08 1.39 7.12 -1.77 -1.46 115.31 119.88 2jxj h LEU 166 Ca 0.00 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.06 2jxj h LEU 166 Cb 0.53 0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.82 2jxj h LEU 166 CO 0.00 -0.50 -0.36 0.22 -0.13 0.00 0.00 178.44 177.67 2jxj h TYR 167 N -1.06 -1.01 -0.22 1.25 3.20 -1.23 -1.88 116.97 116.03 2jxj h TYR 167 Ca -0.10 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.86 2jxj h TYR 167 Cb 0.71 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2jxj h TYR 167 CO 0.04 -0.46 0.16 -1.00 -1.64 0.00 0.00 178.16 175.26 2jxj h PRO 168 N -0.57 0.00 0.14 1.82 0.13 -1.80 -2.59 132.00 129.14 2jxj h PRO 168 Ca 0.04 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 2jxj h PRO 168 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2jxj h PRO 168 CO -0.24 0.00 -0.18 -0.92 -0.23 0.00 0.00 178.00 176.43 2jxj h TYR 169 N 0.00 -0.46 -0.23 1.56 3.20 -0.40 -1.32 116.97 119.32 2jxj h TYR 169 Ca 0.10 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.43 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2jxj h TYR 169 CO 0.00 -0.26 -0.01 0.93 -1.64 0.00 0.00 178.16 177.18 2jxj h GLU 170 N -0.36 0.06 -0.70 1.82 5.08 -1.36 -1.32 114.58 117.79 2jxj h GLU 170 Ca 0.01 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 2jxj h GLU 170 Cb 0.36 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2jxj h GLU 170 CO -0.07 0.04 0.47 -0.07 -1.00 0.00 0.00 179.01 178.38 2jxj h LEU 171 N 0.06 0.37 -1.08 1.33 4.07 -1.42 0.99 115.31 119.63 2jxj h LEU 171 Ca 0.11 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 2jxj h LEU 171 Cb 0.14 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 2jxj h LEU 171 CO -0.19 0.20 -0.38 0.15 -1.08 0.00 0.00 178.44 177.13 2jxj h PHE 172 N 0.40 0.16 -0.27 1.13 3.04 -0.08 0.24 116.94 121.55 2jxj h PHE 172 Ca 0.34 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.17 2jxj h PHE 172 Cb 0.77 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2jxj h PHE 172 CO -0.00 0.51 -0.15 1.96 -2.02 0.00 0.00 178.31 178.61 2jxj h GLN 173 N 0.12 0.58 0.00 1.11 1.08 -0.41 -3.44 115.11 114.15 2jxj h GLN 173 Ca 0.01 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2jxj h GLN 173 Cb 0.74 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2jxj h GLN 173 CO 0.06 0.83 0.00 0.43 -0.95 0.00 0.00 178.83 179.20 2jxj n SER 174 N -4.43 0.00 0.00 1.46 7.64 -1.04 -5.14 113.62 112.11 2jxj n SER 174 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2jxj n SER 174 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64