#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 1.05 -0.06 -0.24 -0.02 -1.26 -4.33 135.00 130.14 2jxw n PRO 2 Ca 0.00 -1.88 -0.12 0.00 -2.02 0.00 0.00 63.50 59.49 2jxw n PRO 2 Cb 0.00 -3.26 -0.04 0.00 -0.02 0.00 0.00 33.50 30.18 2jxw n PRO 2 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jxw n SER 3 N 11.90 0.92 -2.68 2.55 2.88 -1.26 -4.71 113.62 123.21 2jxw n SER 3 Ca 0.46 0.13 -0.08 0.00 -1.33 0.00 0.00 58.87 58.05 2jxw n SER 3 Cb 0.44 -0.32 0.08 0.00 -0.75 0.00 0.00 64.21 63.65 2jxw n SER 3 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jxw n LYS 4 N -3.47 1.18 -0.12 -1.46 5.02 -1.26 -4.99 118.16 113.06 2jxw n LYS 4 Ca -0.22 -2.51 -0.02 0.00 -2.02 0.00 0.00 58.31 53.53 2jxw n LYS 4 Cb 0.66 -0.62 0.02 0.00 -0.02 0.00 0.00 35.03 35.07 2jxw n LYS 4 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jxw n GLY 5 N -0.36 -1.84 2.77 0.72 0.00 -1.26 -5.05 105.19 100.17 2jxw n GLY 5 Ca 0.03 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2jxw n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxw s ARG 6 N -3.22 1.36 -0.06 1.61 0.52 -1.26 -5.10 118.95 112.80 2jxw s ARG 6 Ca 0.06 -2.02 -0.01 0.00 -0.52 0.00 0.00 55.73 53.24 2jxw s ARG 6 Cb -0.00 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 2jxw s ARG 6 CO 0.04 -1.12 0.02 -1.58 0.02 0.00 0.00 175.30 172.68 2jxw s TRP 7 N 0.39 3.17 -0.05 -0.53 0.52 -1.26 -3.51 118.94 117.68 2jxw s TRP 7 Ca 0.16 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.51 2jxw s TRP 7 Cb -0.24 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2jxw s TRP 7 CO -0.02 0.49 -0.17 0.54 0.02 0.00 0.00 176.95 177.80 2jxw s VAL 8 N -0.97 2.78 -0.06 4.03 0.11 -0.58 -4.93 120.40 120.78 2jxw s VAL 8 Ca 0.16 -0.82 -0.19 0.00 -2.93 0.00 0.00 61.98 58.19 2jxw s VAL 8 Cb -0.11 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.62 2jxw s VAL 8 CO 0.05 0.58 0.53 -0.70 -3.33 0.00 0.00 175.10 172.24 2jxw s GLU 9 N -0.57 4.30 0.04 1.54 2.12 -1.26 -2.33 118.70 122.53 2jxw s GLU 9 Ca 0.08 0.59 0.04 0.00 0.36 0.00 0.00 54.97 56.03 2jxw s GLU 9 Cb -0.11 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2jxw s GLU 9 CO 0.01 0.28 -0.11 0.20 -0.54 0.00 0.00 175.26 175.10 2jxw s GLY 10 N 0.18 0.64 -0.08 -1.50 0.00 0.67 -5.00 107.32 102.23 2jxw s GLY 10 Ca 0.29 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.22 2jxw s GLY 10 CO 0.14 -0.75 0.10 -0.42 0.00 0.00 0.00 173.10 172.16 2jxw s ILE 11 N -0.97 5.05 0.23 0.90 -1.09 -1.26 -0.89 121.20 123.17 2jxw s ILE 11 Ca -0.02 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.40 2jxw s ILE 11 Cb -0.08 -3.22 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 2jxw s ILE 11 CO 0.01 0.53 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.26 2jxw s THR 12 N -1.06 1.59 0.55 2.92 2.01 -0.54 -4.96 115.64 116.16 2jxw s THR 12 Ca 0.17 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 59.83 2jxw s THR 12 Cb -0.12 -2.19 -0.09 0.00 0.01 0.00 0.00 72.50 70.11 2jxw s THR 12 CO 0.07 -0.49 0.50 -1.20 -0.69 0.00 0.00 174.62 172.81 2jxw n SER 13 N -0.43 -1.14 0.00 3.53 7.64 -1.26 -2.56 113.62 119.40 2jxw n SER 13 Ca -0.07 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2jxw n SER 13 Cb 0.62 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2jxw n SER 13 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jxw n GLU 14 N 0.09 0.00 0.00 1.43 0.00 -1.26 -3.98 120.64 116.92 2jxw n GLU 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2jxw n GLU 14 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.91 2jxw n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jxw n GLY 15 N 0.00 -0.08 3.31 8.31 0.00 -1.06 -5.16 105.19 110.51 2jxw n GLY 15 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 2.71 -0.31 1.61 2.02 -1.20 -4.98 117.35 117.20 2jxw s TYR 16 Ca 0.00 -0.81 -0.16 0.00 -0.37 0.00 0.00 57.07 55.73 2jxw s TYR 16 Cb 0.00 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2jxw s TYR 16 CO 0.00 -0.30 0.41 -1.01 -1.57 0.00 0.00 175.55 173.08 2jxw s HIS 17 N 0.35 3.22 0.12 2.71 3.76 -1.26 -1.47 115.29 122.72 2jxw s HIS 17 Ca -0.14 0.21 0.06 0.00 -0.15 0.00 0.00 55.06 55.04 2jxw s HIS 17 Cb -0.17 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 2jxw s HIS 17 CO 0.07 -0.38 -0.03 1.52 -0.85 0.00 0.00 174.74 175.07 2jxw s TYR 18 N 2.14 2.87 0.10 1.40 1.13 -0.07 -4.81 117.35 120.11 2jxw s TYR 18 Ca 0.15 -0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.79 2jxw s TYR 18 Cb -0.16 -1.46 -0.03 0.00 -1.10 0.00 0.00 41.96 39.21 2jxw s TYR 18 CO 0.11 0.47 -0.22 0.71 -2.51 0.00 0.00 175.55 174.12 2jxw s TYR 19 N -1.40 1.85 0.03 -3.49 2.02 -0.28 -0.24 117.35 115.85 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 -0.11 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 2jxw s TYR 19 CO 0.17 0.21 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.82 2jxw s TYR 20 N -1.11 0.58 -0.20 2.71 5.04 -0.98 0.79 117.35 124.18 2jxw s TYR 20 Ca 0.07 -0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.26 2jxw s TYR 20 Cb -0.10 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 2jxw s TYR 20 CO 0.04 -0.08 -0.05 0.34 -1.34 0.00 0.00 175.55 174.46 2jxw s ASP 21 N -1.23 4.30 0.11 4.32 -1.08 -0.35 -1.53 116.67 121.21 2jxw s ASP 21 Ca -0.08 -0.36 -0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2jxw s ASP 21 Cb -0.08 -1.72 -0.19 0.00 -1.46 0.00 0.00 42.92 39.46 2jxw s ASP 21 CO 0.00 0.02 1.24 0.17 0.52 0.00 0.00 175.17 177.12 2jxw h LEU 22 N 7.80 0.31 0.55 -1.34 -0.00 -1.88 0.22 115.31 120.95 2jxw h LEU 22 Ca -0.39 -0.30 -0.03 0.00 -0.00 0.00 0.00 57.88 57.17 2jxw h LEU 22 Cb 1.17 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2jxw h LEU 22 CO 0.60 1.19 -0.26 0.40 -0.00 0.00 0.00 178.44 180.37 2jxw h ILE 23 N 0.08 0.46 0.13 0.15 2.04 -1.95 -3.28 117.51 115.14 2jxw h ILE 23 Ca -0.08 -0.07 -0.31 0.00 1.00 0.00 0.00 64.86 65.40 2jxw h ILE 23 Cb 1.80 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2jxw h ILE 23 CO 0.17 0.01 -1.55 -1.28 0.00 0.00 0.00 178.15 175.50 2jxw h SER 24 N -0.78 0.43 -1.22 1.72 0.87 -1.96 -3.49 113.55 109.12 2jxw h SER 24 Ca -0.07 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2jxw h SER 24 Cb 0.58 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2jxw h SER 24 CO 0.12 1.49 0.00 0.61 -0.53 0.00 0.00 176.83 178.52 2jxw n GLY 25 N 1.68 0.59 2.99 5.77 0.00 0.74 -5.09 105.19 111.88 2jxw n GLY 25 Ca -0.17 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.48 0.47 0.01 4.61 0.00 -1.04 -4.97 121.76 118.36 2jxw s ALA 26 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 2jxw s ALA 26 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2jxw s ALA 26 CO 0.00 0.06 0.32 -1.12 0.00 0.00 0.00 175.76 175.02 2jxw s SER 27 N -0.60 6.59 0.22 0.00 0.01 -1.26 -1.22 113.70 117.44 2jxw s SER 27 Ca -0.02 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.96 2jxw s SER 27 Cb -0.05 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 2jxw s SER 27 CO -0.00 0.27 0.04 -1.58 0.41 0.00 0.00 173.24 172.39 2jxw s GLN 28 N -1.54 1.26 0.00 12.44 0.74 0.24 -4.99 119.66 127.82 2jxw s GLN 28 Ca 0.26 -1.65 0.00 0.00 0.05 0.00 0.00 55.36 54.02 2jxw s GLN 28 Cb -0.14 -0.29 0.00 0.00 1.10 0.00 0.00 33.01 33.68 2jxw s GLN 28 CO 0.14 -0.20 0.68 0.91 -0.55 0.00 0.00 175.29 176.27 2jxw n TRP 29 N -0.36 0.00 -4.76 1.67 7.02 -1.26 -1.13 117.44 118.62 2jxw n TRP 29 Ca -0.03 -0.23 -0.29 0.00 -1.02 0.00 0.00 57.50 55.92 2jxw n TRP 29 Cb 0.65 -0.02 -0.17 0.00 -2.42 0.00 0.00 31.31 29.35 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 -0.46 2.49 -0.21 -0.99 0.41 -1.26 -4.91 118.70 113.76 2jxw s GLU 30 Ca 0.00 -0.67 -0.28 0.00 -0.41 0.00 0.00 54.97 53.60 2jxw s GLU 30 Cb 0.00 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2jxw s GLU 30 CO 0.00 0.04 2.13 0.21 -0.49 0.00 0.00 175.26 177.15 2jxw s LYS 31 N 0.68 3.25 0.55 1.61 2.20 -1.26 -4.95 119.74 121.82 2jxw s LYS 31 Ca -0.12 1.98 -0.19 0.00 -0.36 0.00 0.00 55.97 57.28 2jxw s LYS 31 Cb -0.16 -4.33 -0.06 0.00 -1.51 0.00 0.00 37.83 31.78 2jxw s LYS 31 CO 0.03 -1.97 1.14 -1.25 -0.36 0.00 0.00 175.35 172.94 2jxw s PRO 32 N 6.08 3.32 -0.85 4.03 0.04 -1.26 -4.89 135.00 141.46 2jxw s PRO 32 Ca 0.96 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 2jxw s PRO 32 Cb -0.32 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 2jxw s PRO 32 CO 0.35 -0.88 2.09 -2.00 0.04 0.00 0.00 177.00 176.60 2jxw s GLU 33 N -3.28 2.26 0.00 4.56 2.56 -1.26 -3.37 118.70 120.17 2jxw s GLU 33 Ca 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 54.97 55.70 2jxw s GLU 33 Cb -0.25 -4.95 0.00 0.00 2.00 0.00 0.00 34.13 30.93 2jxw s GLU 33 CO 0.28 -3.69 0.00 0.41 -0.56 0.00 0.00 175.26 171.70 2jxw n GLY 34 N 6.80 0.10 0.89 -1.50 0.00 -1.26 -4.73 105.19 105.49 2jxw n GLY 34 Ca 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 0.00 -4.63 1.61 7.35 -1.22 -4.80 117.46 115.78 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 0.00 -0.12 -0.08 0.00 0.35 0.00 0.00 39.48 39.62 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 -2.07 2.03 -1.50 -4.13 -1.52 -1.26 -5.04 119.66 106.16 2jxw s GLN 36 Ca -0.05 -2.25 -0.11 0.00 -1.95 0.00 0.00 55.36 51.00 2jxw s GLN 36 Cb 0.02 -1.11 0.00 0.00 -0.22 0.00 0.00 33.01 31.70 2jxw s GLN 36 CO 0.06 -0.37 2.53 0.41 -0.25 0.00 0.00 175.29 177.67 2jxw n GLY 37 N -1.05 4.46 3.56 3.09 0.00 -1.26 -4.90 105.19 109.09 2jxw n GLY 37 Ca -0.11 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2jxw n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jxw s ASP 38 N 2.26 5.60 -0.22 1.61 1.01 -1.26 -4.94 116.67 120.73 2jxw s ASP 38 Ca 0.57 -0.79 -0.29 0.00 0.71 0.00 0.00 52.55 52.75 2jxw s ASP 38 Cb 0.16 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2jxw s ASP 38 CO -0.07 -2.30 1.79 -1.48 0.21 0.00 0.00 175.17 173.32 2jxw s LEU 39 N 8.28 3.78 0.60 1.23 2.34 -1.26 -4.99 118.68 128.66 2jxw s LEU 39 Ca 0.61 1.69 -0.02 0.00 0.06 0.00 0.00 54.13 56.47 2jxw s LEU 39 Cb -0.05 -3.53 0.04 0.00 -0.56 0.00 0.00 46.19 42.09 2jxw s LEU 39 CO -0.00 -1.46 0.87 -0.54 -1.06 0.00 0.00 176.35 174.15 2jxw s LYS 40 N 5.16 2.49 -0.74 1.48 1.02 -1.26 -5.03 119.74 122.87 2jxw s LYS 40 Ca 0.80 -0.49 -0.23 0.00 0.02 0.00 0.00 55.97 56.07 2jxw s LYS 40 Cb -0.27 -2.35 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 2jxw s LYS 40 CO 0.33 -0.87 1.09 0.21 -0.92 0.00 0.00 175.35 175.18 2jxw s LYS 41 N -4.95 3.22 0.32 1.68 2.36 -1.26 -4.96 119.74 116.16 2jxw s LYS 41 Ca 0.57 -0.84 -0.16 0.00 -2.55 0.00 0.00 55.97 52.99 2jxw s LYS 41 Cb -0.10 -4.38 0.03 0.00 -1.05 0.00 0.00 37.83 32.32 2jxw s LYS 41 CO 0.41 -1.92 0.70 0.99 1.55 0.00 0.00 175.35 177.09 2jxw s THR 42 N 4.34 0.00 -0.27 3.43 2.01 -1.26 -5.05 115.64 118.84 2jxw s THR 42 Ca 0.28 -1.09 0.12 0.00 0.31 0.00 0.00 61.69 61.31 2jxw s THR 42 Cb -0.12 -2.43 0.74 0.00 0.01 0.00 0.00 72.50 70.69 2jxw s THR 42 CO 0.07 0.00 1.72 0.00 -0.69 0.00 0.00 174.62 175.73 2jxw n ALA 43 N -0.49 4.10 -3.30 7.40 0.00 -1.26 -4.91 120.51 122.05 2jxw n ALA 43 Ca -0.05 -2.23 -0.36 0.00 0.00 0.00 0.00 53.44 50.80 2jxw n ALA 43 Cb 0.60 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 2jxw n ALA 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jxw s VAL 44 N -2.91 3.79 -0.35 0.00 1.01 -1.26 -5.08 120.40 115.60 2jxw s VAL 44 Ca 0.53 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2jxw s VAL 44 Cb 0.42 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 34.08 2jxw s VAL 44 CO 0.13 0.34 0.11 -0.54 0.00 0.00 0.00 175.10 175.14 2jxw s LYS 45 N 1.53 2.49 0.05 2.72 1.02 -1.26 -5.08 119.74 121.22 2jxw s LYS 45 Ca 0.05 -1.31 0.04 0.00 0.02 0.00 0.00 55.97 54.77 2jxw s LYS 45 Cb -0.15 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2jxw s LYS 45 CO -0.00 -0.74 -0.12 0.99 -0.92 0.00 0.00 175.35 174.56 2jxw s THR 46 N 1.33 0.91 0.11 2.17 2.01 -1.26 -5.05 115.64 115.87 2jxw s THR 46 Ca -0.01 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2jxw s THR 46 Cb -0.20 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2jxw s THR 46 CO 0.01 -0.19 0.00 0.52 -0.69 0.00 0.00 174.62 174.27 2jxw n VAL 47 N 1.59 0.00 -2.39 3.82 0.31 -1.26 -5.10 118.33 115.29 2jxw n VAL 47 Ca -0.20 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 2jxw n VAL 47 Cb 0.55 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.97 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 -2.00 3.29 0.03 3.52 0.52 -1.26 -4.27 118.94 118.76 2jxw s TRP 48 Ca 0.00 1.61 0.06 0.00 0.02 0.00 0.00 56.10 57.80 2jxw s TRP 48 Cb 0.00 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 2jxw s TRP 48 CO 0.00 -0.96 -0.17 0.54 0.02 0.00 0.00 176.95 176.39 2jxw s VAL 49 N -1.35 2.90 -0.24 4.03 0.11 -0.93 -4.94 120.40 119.98 2jxw s VAL 49 Ca 0.52 -1.11 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 2jxw s VAL 49 Cb -0.30 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 2jxw s VAL 49 CO 0.38 0.36 0.37 -0.70 -3.33 0.00 0.00 175.10 172.18 2jxw s GLU 50 N -1.39 4.07 0.26 1.54 2.12 -1.26 -2.47 118.70 121.57 2jxw s GLU 50 Ca 0.15 0.07 0.11 0.00 0.36 0.00 0.00 54.97 55.66 2jxw s GLU 50 Cb -0.11 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2jxw s GLU 50 CO 0.05 -0.17 -0.17 0.20 -0.54 0.00 0.00 175.26 174.63 2jxw s GLY 51 N 1.39 1.82 -0.15 -1.50 0.00 0.16 -4.98 107.32 104.04 2jxw s GLY 51 Ca 0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 2jxw s GLY 51 CO 0.09 -1.86 -0.07 -2.27 0.00 0.00 0.00 173.10 168.99 2jxw s LEU 52 N -3.35 3.00 0.12 0.66 2.96 -1.26 -1.08 118.68 119.72 2jxw s LEU 52 Ca 0.28 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 2jxw s LEU 52 Cb -0.06 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2jxw s LEU 52 CO 0.15 0.14 0.05 -0.44 -1.32 0.00 0.00 176.35 174.93 2jxw s SER 53 N 0.52 5.24 0.50 3.68 0.01 0.19 -4.95 113.70 118.88 2jxw s SER 53 Ca -0.05 -0.16 -0.19 0.00 1.31 0.00 0.00 55.95 56.86 2jxw s SER 53 Cb -0.15 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.65 2jxw s SER 53 CO 0.03 0.13 0.24 1.21 0.41 0.00 0.00 173.24 175.26 2jxw n GLU 54 N 0.20 0.27 0.00 12.44 2.13 -1.26 -2.26 120.64 132.16 2jxw n GLU 54 Ca -0.09 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2jxw n GLU 54 Cb 0.53 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.92 2jxw n GLU 54 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2jxw n ASP 55 N 1.59 0.00 0.00 4.31 2.03 -1.26 -3.99 116.55 119.23 2jxw n ASP 55 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2jxw n ASP 55 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2jxw n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxw n GLY 56 N 0.00 -0.23 3.19 0.27 0.00 -0.96 -5.16 105.19 102.30 2jxw n GLY 56 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.25 -0.26 1.61 0.08 -1.03 -4.97 117.98 115.65 2jxw s PHE 57 Ca 0.00 -0.81 -0.15 0.00 0.12 0.00 0.00 56.93 56.08 2jxw s PHE 57 Cb 0.00 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2jxw s PHE 57 CO 0.00 -0.31 0.40 0.99 -0.10 0.00 0.00 175.22 176.19 2jxw s THR 58 N 0.22 5.16 0.04 0.64 2.01 -1.26 0.54 115.64 122.99 2jxw s THR 58 Ca -0.12 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.56 2jxw s THR 58 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2jxw s THR 58 CO 0.06 0.16 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.33 2jxw s TYR 59 N 2.01 2.77 0.01 4.92 1.13 -0.24 -4.76 117.35 123.18 2jxw s TYR 59 Ca 0.16 -0.12 0.08 0.00 -1.41 0.00 0.00 57.07 55.78 2jxw s TYR 59 Cb -0.16 -1.53 -0.02 0.00 -1.10 0.00 0.00 41.96 39.15 2jxw s TYR 59 CO 0.09 0.36 -0.26 0.71 -2.51 0.00 0.00 175.55 173.94 2jxw s TYR 60 N -1.04 2.28 0.11 -3.49 2.02 0.29 0.36 117.35 117.89 2jxw s TYR 60 Ca 0.18 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 2jxw s TYR 60 Cb -0.11 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2jxw s TYR 60 CO 0.09 0.03 -0.24 -0.47 -1.57 0.00 0.00 175.55 173.40 2jxw s TYR 61 N -0.69 2.02 -0.12 2.71 5.04 -1.03 0.76 117.35 126.03 2jxw s TYR 61 Ca 0.11 -0.40 -0.00 0.00 -2.44 0.00 0.00 57.07 54.33 2jxw s TYR 61 Cb -0.10 -1.10 -0.02 0.00 0.35 0.00 0.00 41.96 41.09 2jxw s TYR 61 CO 0.00 0.26 -0.11 1.21 -1.34 0.00 0.00 175.55 175.57 2jxw s ASN 62 N -1.96 4.19 0.09 4.32 2.47 -1.08 -2.18 114.94 120.80 2jxw s ASN 62 Ca 0.10 -0.26 0.11 0.00 0.42 0.00 0.00 52.86 53.22 2jxw s ASN 62 Cb -0.10 -1.56 -0.16 0.00 -1.45 0.00 0.00 41.25 37.98 2jxw s ASN 62 CO 0.05 0.19 1.08 0.71 -3.72 0.00 0.00 177.10 175.41 2jxw h THR 63 N 5.21 1.18 0.75 -5.21 1.35 -1.92 -1.59 112.91 112.69 2jxw h THR 63 Ca -0.29 -2.85 -0.04 0.00 -0.55 0.00 0.00 66.41 62.68 2jxw h THR 63 Cb 1.20 2.56 0.01 0.00 -1.73 0.00 0.00 68.15 70.19 2jxw h THR 63 CO 0.56 0.67 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.82 2jxw h GLU 64 N 0.00 -0.97 0.10 4.72 5.08 -1.95 -3.36 114.58 118.21 2jxw h GLU 64 Ca -0.11 0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 2jxw h GLU 64 Cb 1.75 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 2jxw h GLU 64 CO 0.09 -0.65 -1.37 1.79 -1.00 0.00 0.00 179.01 177.88 2jxw h THR 65 N -1.01 1.04 -0.43 1.13 1.35 -2.02 -3.49 112.91 109.47 2jxw h THR 65 Ca -0.10 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 2jxw h THR 65 Cb 0.77 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2jxw h THR 65 CO 0.17 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2jxw n GLY 66 N 1.72 0.54 2.99 5.82 0.00 -0.60 -5.10 105.19 110.56 2jxw n GLY 66 Ca -0.25 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.26 0.56 0.24 1.61 2.12 -1.21 -4.97 118.70 116.78 2jxw s GLU 67 Ca 0.00 -0.27 -0.28 0.00 0.36 0.00 0.00 54.97 54.78 2jxw s GLU 67 Cb 0.00 -0.54 -0.09 0.00 0.26 0.00 0.00 34.13 33.76 2jxw s GLU 67 CO 0.00 0.15 0.90 -1.54 -0.54 0.00 0.00 175.26 174.23 2jxw s SER 68 N -0.21 7.53 0.12 -1.70 1.04 -1.26 -2.63 113.70 116.60 2jxw s SER 68 Ca 0.02 1.86 0.04 0.00 0.48 0.00 0.00 55.95 58.35 2jxw s SER 68 Cb -0.03 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2jxw s SER 68 CO -0.00 0.13 -0.10 -0.60 0.98 0.00 0.00 173.24 173.65 2jxw s ARG 69 N -1.33 0.97 -0.13 4.02 6.06 0.23 -5.00 118.95 123.77 2jxw s ARG 69 Ca 0.41 -1.33 0.15 0.00 -2.50 0.00 0.00 55.73 52.47 2jxw s ARG 69 Cb -0.24 -0.58 0.37 0.00 0.06 0.00 0.00 34.95 34.55 2jxw s ARG 69 CO 0.29 0.08 1.18 0.91 -2.50 0.00 0.00 175.30 175.26 2jxw n TRP 70 N 0.12 0.00 -3.76 5.12 7.02 -1.26 -0.54 117.44 124.14 2jxw n TRP 70 Ca -0.13 -1.06 -0.14 0.00 -1.02 0.00 0.00 57.50 55.16 2jxw n TRP 70 Cb 0.59 -0.19 -0.14 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 -2.15 0.09 -0.30 -0.99 2.02 -1.26 -4.96 118.70 111.13 2jxw s GLU 71 Ca 0.33 0.34 -0.31 0.00 0.02 0.00 0.00 54.97 55.35 2jxw s GLU 71 Cb 0.33 -0.17 -0.08 0.00 0.10 0.00 0.00 34.13 34.31 2jxw s GLU 71 CO -0.07 -0.15 2.23 1.63 0.02 0.00 0.00 175.26 178.92 2jxw n LYS 72 N 4.11 1.49 -0.85 1.61 5.02 -1.26 -4.91 118.16 123.36 2jxw n LYS 72 Ca -0.26 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 2jxw n LYS 72 Cb 0.52 -2.89 0.20 0.00 -0.02 0.00 0.00 35.03 32.84 2jxw n LYS 72 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2jxw s PRO 73 N 6.48 0.10 0.15 1.97 0.02 -1.26 -4.88 135.00 137.58 2jxw s PRO 73 Ca 1.05 0.85 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2jxw s PRO 73 Cb -0.56 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2jxw s PRO 73 CO 0.41 -3.04 0.00 -3.47 -0.33 0.00 0.00 177.00 170.57 2jxw n ASP 74 N -4.44 -3.10 -0.95 2.53 -0.08 -1.26 -5.21 116.55 104.03 2jxw n ASP 74 Ca 0.05 0.28 0.12 0.00 -1.51 0.00 0.00 54.79 53.74 2jxw n ASP 74 Cb 0.55 -1.62 0.10 0.00 2.34 0.00 0.00 41.12 42.49 2jxw n ASP 74 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79