#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxw n PRO 2 N 0.00 1.83 -0.04 -0.24 -0.02 -1.26 -4.99 135.00 130.28 2jxw n PRO 2 Ca 0.00 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2jxw n PRO 2 Cb 0.00 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.17 2jxw n PRO 2 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jxw n SER 3 N 2.57 -0.72 -2.82 2.55 7.64 -1.26 -4.57 113.62 117.01 2jxw n SER 3 Ca 0.15 -0.67 -0.15 0.00 1.01 0.00 0.00 58.87 59.20 2jxw n SER 3 Cb 0.28 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.51 2jxw n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jxw n LYS 4 N -1.45 -5.45 -2.11 1.43 4.81 -1.26 -4.94 118.16 109.19 2jxw n LYS 4 Ca 0.01 0.63 -0.02 0.00 -0.87 0.00 0.00 58.31 58.06 2jxw n LYS 4 Cb 0.02 -5.03 0.04 0.00 0.02 0.00 0.00 35.03 30.08 2jxw n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jxw n GLY 5 N -1.35 1.43 2.24 3.14 0.00 -1.26 -4.82 105.19 104.57 2jxw n GLY 5 Ca -0.11 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2jxw n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxw n ARG 6 N -0.60 0.90 -5.16 1.61 1.74 -1.26 -5.10 116.66 108.79 2jxw n ARG 6 Ca -0.10 -3.41 -0.30 0.00 -0.77 0.00 0.00 57.85 53.27 2jxw n ARG 6 Cb 0.86 -1.39 -0.16 0.00 -1.02 0.00 0.00 32.46 30.75 2jxw n ARG 6 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jxw s TRP 7 N -1.24 2.24 0.02 -1.55 0.52 -1.26 -3.17 118.94 114.51 2jxw s TRP 7 Ca 0.35 -0.63 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2jxw s TRP 7 Cb 0.15 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2jxw s TRP 7 CO -0.11 -0.18 -0.25 0.54 0.02 0.00 0.00 176.95 176.97 2jxw s VAL 8 N -0.17 2.24 -0.13 4.03 0.11 -1.11 -4.94 120.40 120.43 2jxw s VAL 8 Ca -0.02 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.65 2jxw s VAL 8 Cb -0.13 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 2jxw s VAL 8 CO 0.03 0.43 0.27 -0.70 -3.33 0.00 0.00 175.10 171.80 2jxw s GLU 9 N -1.06 4.05 0.04 1.54 2.12 -1.26 -2.70 118.70 121.42 2jxw s GLU 9 Ca 0.12 0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2jxw s GLU 9 Cb -0.10 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 2jxw s GLU 9 CO 0.02 0.41 -0.08 0.20 -0.54 0.00 0.00 175.26 175.27 2jxw s GLY 10 N -0.06 0.51 -0.24 -1.50 0.00 0.66 -4.96 107.32 101.73 2jxw s GLY 10 Ca 0.17 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 2jxw s GLY 10 CO 0.05 -0.75 0.12 -0.42 0.00 0.00 0.00 173.10 172.10 2jxw s ILE 11 N -1.18 4.93 0.11 0.90 -1.09 -1.26 0.11 121.20 123.72 2jxw s ILE 11 Ca -0.07 0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 2jxw s ILE 11 Cb -0.09 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2jxw s ILE 11 CO 0.00 0.34 -0.09 0.42 -1.23 0.00 0.00 174.94 174.38 2jxw s THR 12 N 1.27 0.93 0.00 2.92 -4.23 -0.96 -4.93 115.64 110.64 2jxw s THR 12 Ca 0.06 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2jxw s THR 12 Cb -0.14 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2jxw s THR 12 CO 0.05 -0.69 0.00 -0.24 -0.54 0.00 0.00 174.62 173.20 2jxw n SER 13 N 0.21 0.00 0.01 3.99 2.88 -1.26 -0.68 113.62 118.76 2jxw n SER 13 Ca -0.14 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.62 2jxw n SER 13 Cb 0.59 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.77 2jxw n SER 13 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2jxw h GLU 14 N 0.00 0.00 0.00 -1.46 4.57 -2.06 -3.42 114.58 112.22 2jxw h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jxw h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2jxw h GLU 14 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2jxw n GLY 15 N -1.61 0.00 3.61 1.92 0.00 -0.98 -5.14 105.19 102.99 2jxw n GLY 15 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2jxw n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxw s TYR 16 N 0.00 3.25 -0.23 1.61 1.51 0.14 -4.85 117.35 118.77 2jxw s TYR 16 Ca 0.00 0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 56.20 2jxw s TYR 16 Cb 0.00 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 2jxw s TYR 16 CO 0.00 -0.23 1.38 -1.01 -1.11 0.00 0.00 175.55 174.58 2jxw s HIS 17 N 2.07 2.56 0.13 2.71 3.76 -1.26 -2.28 115.29 122.98 2jxw s HIS 17 Ca 0.15 0.79 0.07 0.00 -0.15 0.00 0.00 55.06 55.92 2jxw s HIS 17 Cb -0.16 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 2jxw s HIS 17 CO 0.10 -2.11 -0.04 1.52 -0.85 0.00 0.00 174.74 173.36 2jxw s TYR 18 N 4.29 2.83 0.10 1.40 -0.85 0.12 -4.87 117.35 120.38 2jxw s TYR 18 Ca 0.60 -0.12 0.09 0.00 -0.52 0.00 0.00 57.07 57.12 2jxw s TYR 18 Cb -0.21 -1.43 -0.04 0.00 0.38 0.00 0.00 41.96 40.67 2jxw s TYR 18 CO 0.22 0.48 -0.22 0.71 -1.52 0.00 0.00 175.55 175.22 2jxw s TYR 19 N -1.46 1.92 0.04 -3.49 2.02 0.54 -0.25 117.35 116.68 2jxw s TYR 19 Ca 0.25 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2jxw s TYR 19 Cb -0.10 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 2jxw s TYR 19 CO 0.17 0.23 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.83 2jxw s TYR 20 N -1.10 0.64 -0.18 2.71 6.14 -1.10 0.63 117.35 125.09 2jxw s TYR 20 Ca 0.08 -0.46 -0.01 0.00 0.64 0.00 0.00 57.07 57.32 2jxw s TYR 20 Cb -0.10 -0.39 -0.00 0.00 0.42 0.00 0.00 41.96 41.89 2jxw s TYR 20 CO 0.04 -0.08 -0.12 0.34 0.64 0.00 0.00 175.55 176.38 2jxw s ASP 21 N -1.42 3.85 0.32 4.32 2.15 -1.22 -2.75 116.67 121.92 2jxw s ASP 21 Ca -0.09 -0.45 0.21 0.00 0.43 0.00 0.00 52.55 52.65 2jxw s ASP 21 Cb -0.09 -1.62 0.17 0.00 -0.30 0.00 0.00 42.92 41.08 2jxw s ASP 21 CO 0.00 0.04 1.37 0.17 -0.17 0.00 0.00 175.17 176.58 2jxw h LEU 22 N 7.64 0.00 -0.05 -1.34 -0.00 -1.92 -1.11 115.31 118.53 2jxw h LEU 22 Ca -0.38 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 2jxw h LEU 22 Cb 1.17 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.78 2jxw h LEU 22 CO 0.59 0.12 -0.35 0.40 -0.00 0.00 0.00 178.44 179.20 2jxw h ILE 23 N 0.00 0.25 0.00 0.15 2.04 -1.94 -3.36 117.51 114.65 2jxw h ILE 23 Ca -0.01 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 2jxw h ILE 23 Cb 1.10 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jxw h ILE 23 CO 0.01 0.00 -1.72 -1.20 0.00 0.00 0.00 178.15 175.24 2jxw n SER 24 N -5.42 2.86 0.00 1.72 7.64 -1.26 -5.07 113.62 114.09 2jxw n SER 24 Ca -0.04 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2jxw n SER 24 Cb 0.34 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2jxw n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jxw n GLY 25 N 2.84 0.69 2.89 0.23 0.00 -0.43 -5.11 105.19 106.31 2jxw n GLY 25 Ca -0.23 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2jxw n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxw s ALA 26 N -0.90 1.73 0.16 4.61 0.00 -1.18 -4.97 121.76 121.21 2jxw s ALA 26 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 2jxw s ALA 26 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 2jxw s ALA 26 CO 0.00 -1.17 1.34 -1.54 0.00 0.00 0.00 175.76 174.39 2jxw s SER 27 N 1.51 6.87 0.29 0.00 1.04 -1.26 -3.38 113.70 118.76 2jxw s SER 27 Ca -0.04 2.37 0.04 0.00 0.48 0.00 0.00 55.95 58.79 2jxw s SER 27 Cb -0.18 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.28 2jxw s SER 27 CO -0.07 -0.58 0.03 -1.58 0.98 0.00 0.00 173.24 172.03 2jxw s GLN 28 N 0.37 1.53 0.00 4.02 2.00 0.20 -4.99 119.66 122.79 2jxw s GLN 28 Ca 0.60 -1.82 0.00 0.00 -2.00 0.00 0.00 55.36 52.14 2jxw s GLN 28 Cb -0.36 -0.77 0.00 0.00 0.80 0.00 0.00 33.01 32.67 2jxw s GLN 28 CO 0.35 -0.14 0.64 0.91 -0.50 0.00 0.00 175.29 176.55 2jxw n TRP 29 N -0.57 0.00 -5.00 1.67 7.02 -1.26 -0.34 117.44 118.96 2jxw n TRP 29 Ca -0.03 -0.20 -0.32 0.00 -1.02 0.00 0.00 57.50 55.92 2jxw n TRP 29 Cb 0.65 -0.02 -0.16 0.00 -2.42 0.00 0.00 31.31 29.36 2jxw n TRP 29 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jxw s GLU 30 N -0.41 3.16 -0.26 -0.99 8.01 -1.26 -4.84 118.70 122.10 2jxw s GLU 30 Ca 0.00 -0.81 -0.29 0.00 0.01 0.00 0.00 54.97 53.88 2jxw s GLU 30 Cb 0.00 -2.43 -0.02 0.00 -4.31 0.00 0.00 34.13 27.37 2jxw s GLU 30 CO 0.00 0.16 1.60 0.21 0.01 0.00 0.00 175.26 177.24 2jxw s LYS 31 N 0.41 3.71 0.38 1.61 2.20 -1.26 -4.96 119.74 121.84 2jxw s LYS 31 Ca -0.15 1.52 -0.06 0.00 -0.36 0.00 0.00 55.97 56.92 2jxw s LYS 31 Cb -0.17 -4.05 0.09 0.00 -1.51 0.00 0.00 37.83 32.20 2jxw s LYS 31 CO 0.07 -1.39 0.34 -0.35 -0.36 0.00 0.00 175.35 173.66 2jxw n PRO 32 N 7.79 -1.58 -0.58 4.03 -0.04 -1.26 -4.92 135.00 138.44 2jxw n PRO 32 Ca 0.19 -0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 62.99 2jxw n PRO 32 Cb 0.46 -0.50 0.08 0.00 -0.04 0.00 0.00 33.50 33.50 2jxw n PRO 32 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jxw n GLU 33 N -2.49 1.59 -1.72 0.54 0.00 -1.26 -3.96 120.64 113.34 2jxw n GLU 33 Ca 0.05 -1.40 0.01 0.00 0.00 0.00 0.00 57.16 55.82 2jxw n GLU 33 Cb 0.18 -1.55 0.02 0.00 0.00 0.00 0.00 31.44 30.09 2jxw n GLU 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jxw n GLY 34 N -0.25 1.11 0.64 -1.84 0.00 -1.26 -4.92 105.19 98.67 2jxw n GLY 34 Ca 0.28 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 2jxw n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jxw n PHE 35 N 0.12 0.00 -3.51 1.61 7.35 -1.25 -4.85 117.46 116.92 2jxw n PHE 35 Ca -0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 2jxw n PHE 35 Cb 1.00 -0.22 -0.12 0.00 0.35 0.00 0.00 39.48 40.49 2jxw n PHE 35 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2jxw s GLN 36 N -2.38 0.87 0.09 -4.13 -0.21 -1.26 -5.12 119.66 107.53 2jxw s GLN 36 Ca -0.13 -1.75 -0.31 0.00 0.02 0.00 0.00 55.36 53.20 2jxw s GLN 36 Cb 0.02 -1.63 -0.07 0.00 1.00 0.00 0.00 33.01 32.33 2jxw s GLN 36 CO 0.18 -1.25 1.27 0.20 -2.12 0.00 0.00 175.29 173.58 2jxw s GLY 37 N 0.56 2.27 -0.36 3.09 0.00 -1.26 -5.00 107.32 106.63 2jxw s GLY 37 Ca 0.22 0.96 -0.18 0.00 0.00 0.00 0.00 44.72 45.72 2jxw s GLY 37 CO -0.05 2.14 0.53 0.99 0.00 0.00 0.00 173.10 176.70 2jxw s ASP 38 N 0.98 6.32 -0.71 1.64 1.11 -1.26 -4.98 116.67 119.77 2jxw s ASP 38 Ca 0.60 -0.09 0.04 0.00 0.18 0.00 0.00 52.55 53.28 2jxw s ASP 38 Cb -0.33 -2.27 0.31 0.00 1.07 0.00 0.00 42.92 41.70 2jxw s ASP 38 CO 0.30 -0.52 1.09 -0.11 1.18 0.00 0.00 175.17 177.12 2jxw n LEU 39 N 5.80 4.97 -3.31 1.23 7.94 -1.26 -4.83 117.00 127.54 2jxw n LEU 39 Ca -0.04 -5.55 -0.24 0.00 -1.11 0.00 0.00 56.01 49.07 2jxw n LEU 39 Cb 0.49 -0.74 0.04 0.00 0.53 0.00 0.00 43.42 43.74 2jxw n LEU 39 CO 0.46 2.19 0.07 1.17 -1.11 0.00 0.00 177.39 180.17 2jxw n LYS 40 N 0.14 -5.56 -2.10 1.96 4.81 -1.26 -4.98 118.16 111.17 2jxw n LYS 40 Ca 0.33 0.80 -0.27 0.00 -0.87 0.00 0.00 58.31 58.30 2jxw n LYS 40 Cb 0.37 -5.70 0.07 0.00 0.02 0.00 0.00 35.03 29.79 2jxw n LYS 40 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2jxw s LYS 41 N -6.00 2.17 0.27 1.64 2.36 -1.26 -4.99 119.74 113.92 2jxw s LYS 41 Ca 0.43 -0.11 0.09 0.00 -2.55 0.00 0.00 55.97 53.83 2jxw s LYS 41 Cb -0.20 -2.10 0.34 0.00 -1.05 0.00 0.00 37.83 34.82 2jxw s LYS 41 CO 0.53 -1.33 1.60 1.15 1.55 0.00 0.00 175.35 178.86 2jxw h THR 42 N -0.73 1.43 -4.00 3.43 2.02 -2.04 -3.45 112.91 109.57 2jxw h THR 42 Ca -0.45 -2.07 -0.54 0.00 0.77 0.00 0.00 66.41 64.12 2jxw h THR 42 Cb 1.32 2.10 0.12 0.00 -1.74 0.00 0.00 68.15 69.95 2jxw h THR 42 CO 0.62 0.60 0.65 0.00 0.37 0.00 0.00 175.52 177.76 2jxw s ALA 43 N -3.66 3.10 -0.01 6.16 0.00 -1.26 -5.03 121.76 121.06 2jxw s ALA 43 Ca -0.02 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.35 2jxw s ALA 43 Cb 0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2jxw s ALA 43 CO 0.77 -1.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.31 2jxw s VAL 44 N -1.26 1.03 -0.88 0.00 1.01 -1.26 -5.06 120.40 113.98 2jxw s VAL 44 Ca 0.64 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2jxw s VAL 44 Cb -0.41 -0.86 0.29 0.00 0.00 0.00 0.00 36.38 35.40 2jxw s VAL 44 CO 0.52 0.28 1.24 0.29 0.00 0.00 0.00 175.10 177.42 2jxw n LYS 45 N 2.73 3.86 -3.15 2.72 4.76 -1.26 -4.91 118.16 122.90 2jxw n LYS 45 Ca -0.14 -4.65 0.05 0.00 -2.87 0.00 0.00 58.31 50.70 2jxw n LYS 45 Cb 0.55 -2.39 -0.01 0.00 -1.84 0.00 0.00 35.03 31.34 2jxw n LYS 45 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2jxw s THR 46 N -3.09 -0.56 -0.06 -0.18 -1.32 -1.26 -5.03 115.64 104.14 2jxw s THR 46 Ca 0.37 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.96 2jxw s THR 46 Cb 0.13 -0.85 -0.16 0.00 -1.51 0.00 0.00 72.50 70.10 2jxw s THR 46 CO 0.01 0.00 0.16 0.52 -2.21 0.00 0.00 174.62 173.10 2jxw n VAL 47 N 5.39 0.33 -2.31 5.08 0.31 -1.26 -5.01 118.33 120.86 2jxw n VAL 47 Ca -0.01 -0.36 -0.38 0.00 -0.01 0.00 0.00 64.34 63.58 2jxw n VAL 47 Cb 0.54 -0.19 -0.02 0.00 -0.91 0.00 0.00 33.84 33.26 2jxw n VAL 47 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2jxw s TRP 48 N -2.57 3.12 -0.07 3.52 0.52 -1.26 -4.34 118.94 117.85 2jxw s TRP 48 Ca -0.05 1.56 0.01 0.00 0.02 0.00 0.00 56.10 57.64 2jxw s TRP 48 Cb 0.06 -3.39 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 2jxw s TRP 48 CO 0.47 -1.25 -0.07 0.08 0.02 0.00 0.00 176.95 176.20 2jxw s VAL 49 N -1.40 3.66 -0.23 4.03 1.01 0.13 -4.92 120.40 122.69 2jxw s VAL 49 Ca 0.56 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 2jxw s VAL 49 Cb -0.31 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2jxw s VAL 49 CO 0.39 0.59 0.56 -0.70 0.00 0.00 0.00 175.10 175.94 2jxw s GLU 50 N -0.72 4.14 0.28 2.72 2.12 -1.26 -2.07 118.70 123.92 2jxw s GLU 50 Ca 0.11 0.45 0.12 0.00 0.36 0.00 0.00 54.97 56.00 2jxw s GLU 50 Cb -0.11 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2jxw s GLU 50 CO 0.02 -0.27 -0.16 0.20 -0.54 0.00 0.00 175.26 174.50 2jxw s GLY 51 N 1.33 1.86 -0.09 -1.50 0.00 0.22 -4.98 107.32 104.16 2jxw s GLY 51 Ca 0.24 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.13 2jxw s GLY 51 CO 0.09 -1.93 -0.12 -2.27 0.00 0.00 0.00 173.10 168.88 2jxw s LEU 52 N -3.54 2.84 0.15 0.66 2.96 -1.26 -1.14 118.68 119.35 2jxw s LEU 52 Ca 0.30 -0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.10 2jxw s LEU 52 Cb -0.05 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2jxw s LEU 52 CO 0.16 0.27 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.78 2jxw s SER 53 N -0.25 3.05 0.77 3.68 0.01 0.21 -4.92 113.70 116.25 2jxw s SER 53 Ca 0.02 -0.79 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 2jxw s SER 53 Cb -0.13 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 2jxw s SER 53 CO 0.03 0.10 0.16 1.21 0.41 0.00 0.00 173.24 175.14 2jxw n GLU 54 N 0.67 0.11 -1.05 12.44 2.13 -1.26 -1.43 120.64 132.24 2jxw n GLU 54 Ca -0.16 0.06 -0.02 0.00 0.66 0.00 0.00 57.16 57.71 2jxw n GLU 54 Cb 0.55 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 30.70 2jxw n GLU 54 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jxw n ASP 55 N 0.70 -4.82 -1.90 4.31 9.92 -1.26 -3.73 116.55 119.77 2jxw n ASP 55 Ca 0.07 0.04 -0.01 0.00 -0.53 0.00 0.00 54.79 54.36 2jxw n ASP 55 Cb 0.51 -2.47 0.01 0.00 -0.64 0.00 0.00 41.12 38.53 2jxw n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jxw n GLY 56 N -0.63 -0.20 2.85 0.44 0.00 -0.92 -5.08 105.19 101.65 2jxw n GLY 56 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2jxw n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jxw s PHE 57 N -3.03 1.15 -0.24 1.61 0.08 -0.52 -4.97 117.98 112.06 2jxw s PHE 57 Ca 0.04 -0.51 -0.21 0.00 0.12 0.00 0.00 56.93 56.38 2jxw s PHE 57 Cb -0.01 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2jxw s PHE 57 CO 0.18 -0.44 0.65 0.99 -0.10 0.00 0.00 175.22 176.51 2jxw s THR 58 N 1.80 4.98 0.04 0.64 2.01 -1.26 0.66 115.64 124.51 2jxw s THR 58 Ca 0.05 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.28 2jxw s THR 58 Cb -0.12 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2jxw s THR 58 CO -0.07 0.03 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.07 2jxw s TYR 59 N 2.45 2.77 0.00 4.92 -0.85 -0.29 -4.69 117.35 121.65 2jxw s TYR 59 Ca 0.27 -0.13 0.08 0.00 -0.52 0.00 0.00 57.07 56.78 2jxw s TYR 59 Cb -0.16 -1.52 -0.02 0.00 0.38 0.00 0.00 41.96 40.64 2jxw s TYR 59 CO 0.09 0.36 -0.26 0.71 -1.52 0.00 0.00 175.55 174.92 2jxw s TYR 60 N -1.04 2.32 0.08 -3.49 2.02 -0.03 0.71 117.35 117.91 2jxw s TYR 60 Ca 0.18 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.51 2jxw s TYR 60 Cb -0.11 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 2jxw s TYR 60 CO 0.09 0.02 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.44 2jxw s TYR 61 N -0.68 1.51 -0.11 2.71 5.04 -0.88 0.10 117.35 125.05 2jxw s TYR 61 Ca 0.11 -0.42 0.03 0.00 -2.44 0.00 0.00 57.07 54.35 2jxw s TYR 61 Cb -0.10 -0.85 -0.00 0.00 0.35 0.00 0.00 41.96 41.36 2jxw s TYR 61 CO 0.00 0.12 -0.23 1.21 -1.34 0.00 0.00 175.55 175.31 2jxw s ASN 62 N -1.69 3.18 0.15 4.32 3.84 -1.20 -0.69 114.94 122.84 2jxw s ASN 62 Ca 0.03 -0.54 -0.03 0.00 0.21 0.00 0.00 52.86 52.52 2jxw s ASN 62 Cb -0.10 -1.43 -0.03 0.00 -0.55 0.00 0.00 41.25 39.14 2jxw s ASN 62 CO 0.03 0.15 1.36 0.71 -2.79 0.00 0.00 177.10 176.56 2jxw h THR 63 N 5.70 1.40 0.96 -5.21 1.35 -1.93 0.21 112.91 115.38 2jxw h THR 63 Ca -0.21 -2.33 -0.05 0.00 -0.55 0.00 0.00 66.41 63.27 2jxw h THR 63 Cb 1.23 2.29 0.01 0.00 -1.73 0.00 0.00 68.15 69.95 2jxw h THR 63 CO 0.49 0.70 -0.48 -0.33 -0.25 0.00 0.00 175.52 175.64 2jxw h GLU 64 N 0.25 -1.27 0.08 4.72 5.08 -1.95 -3.25 114.58 118.24 2jxw h GLU 64 Ca -0.06 0.09 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 2jxw h GLU 64 Cb 1.46 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 2jxw h GLU 64 CO 0.15 -0.85 -1.13 1.79 -1.00 0.00 0.00 179.01 177.98 2jxw h THR 65 N -1.32 1.50 -2.43 1.13 1.35 -2.01 -3.48 112.91 107.65 2jxw h THR 65 Ca -0.13 -2.93 -0.08 0.00 -0.55 0.00 0.00 66.41 62.72 2jxw h THR 65 Cb 1.02 2.79 0.03 0.00 -1.73 0.00 0.00 68.15 70.26 2jxw h THR 65 CO 0.20 0.86 -0.16 0.61 -0.25 0.00 0.00 175.52 176.78 2jxw n GLY 66 N 1.33 0.45 2.89 5.82 0.00 0.72 -5.07 105.19 111.34 2jxw n GLY 66 Ca -0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 2jxw n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jxw s GLU 67 N -4.84 0.41 0.38 1.61 2.12 -1.20 -4.98 118.70 112.20 2jxw s GLU 67 Ca 0.07 -0.06 -0.24 0.00 0.36 0.00 0.00 54.97 55.10 2jxw s GLU 67 Cb -0.03 -0.47 -0.09 0.00 0.26 0.00 0.00 34.13 33.79 2jxw s GLU 67 CO 0.16 -0.02 1.03 -1.54 -0.54 0.00 0.00 175.26 174.35 2jxw s SER 68 N 0.49 6.89 0.11 -1.70 1.04 -1.26 -3.25 113.70 116.02 2jxw s SER 68 Ca -0.05 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.40 2jxw s SER 68 Cb -0.08 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2jxw s SER 68 CO -0.01 -0.39 -0.10 -0.60 0.98 0.00 0.00 173.24 173.12 2jxw s ARG 69 N -2.42 0.91 -0.16 4.02 3.52 0.28 -4.99 118.95 120.11 2jxw s ARG 69 Ca 0.56 -1.28 0.15 0.00 -0.13 0.00 0.00 55.73 55.04 2jxw s ARG 69 Cb -0.21 -0.51 0.43 0.00 -1.56 0.00 0.00 34.95 33.11 2jxw s ARG 69 CO 0.26 0.06 1.20 0.91 -0.81 0.00 0.00 175.30 176.92 2jxw n TRP 70 N 0.22 0.34 -3.71 5.12 7.02 -1.26 -0.85 117.44 124.33 2jxw n TRP 70 Ca -0.14 -1.32 -0.12 0.00 -1.02 0.00 0.00 57.50 54.90 2jxw n TRP 70 Cb 0.59 -0.23 -0.10 0.00 -2.42 0.00 0.00 31.31 29.15 2jxw n TRP 70 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jxw s GLU 71 N -2.39 0.47 0.55 -0.99 2.02 -1.26 -4.98 118.70 112.11 2jxw s GLU 71 Ca 0.38 0.72 -0.22 0.00 0.02 0.00 0.00 54.97 55.87 2jxw s GLU 71 Cb 0.38 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.69 2jxw s GLU 71 CO -0.09 -0.11 1.38 -1.59 0.02 0.00 0.00 175.26 174.87 2jxw s LYS 72 N 0.80 3.12 -0.75 1.61 -2.85 -1.26 -4.80 119.74 115.62 2jxw s LYS 72 Ca -0.05 2.28 -0.24 0.00 -1.00 0.00 0.00 55.97 56.96 2jxw s LYS 72 Cb -0.05 -2.27 -0.16 0.00 -2.06 0.00 0.00 37.83 33.29 2jxw s LYS 72 CO -0.06 -1.22 2.42 -2.30 0.10 0.00 0.00 175.35 174.29 2jxw n PRO 73 N -1.03 0.55 -3.03 1.78 -0.02 -1.26 -4.77 135.00 127.23 2jxw n PRO 73 Ca 0.10 -0.30 0.03 0.00 -2.02 0.00 0.00 63.50 61.31 2jxw n PRO 73 Cb 0.45 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 2jxw n PRO 73 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxw s ASP 74 N 9.43 -0.71 0.00 2.55 -1.08 -1.26 -5.30 116.67 120.30 2jxw s ASP 74 Ca 1.07 -0.13 0.27 0.00 -0.52 0.00 0.00 52.55 53.24 2jxw s ASP 74 Cb -0.43 1.18 1.59 0.00 -1.46 0.00 0.00 42.92 43.81 2jxw s ASP 74 CO 0.28 -0.11 1.94 -0.67 0.52 0.00 0.00 175.17 177.14