#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g n SER 2 N 0.00 -7.11 -4.12 1.61 7.64 -1.26 -5.01 113.62 105.37 1j0g n SER 2 Ca 0.00 0.69 -0.23 0.00 1.01 0.00 0.00 58.87 60.34 1j0g n SER 2 Cb 0.00 -3.42 -0.15 0.00 -1.01 0.00 0.00 64.21 59.63 1j0g n SER 2 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1j0g s GLU 3 N -1.67 1.19 0.19 1.43 2.12 -1.26 -5.14 118.70 115.56 1j0g s GLU 3 Ca 0.10 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.67 1j0g s GLU 3 Cb -0.02 -1.15 0.05 0.00 0.26 0.00 0.00 34.13 33.27 1j0g s GLU 3 CO 0.51 0.32 0.61 0.20 -0.54 0.00 0.00 175.26 176.36 1j0g s GLY 4 N -0.37 -0.44 -0.04 -1.50 0.00 -1.26 -5.16 107.32 98.55 1j0g s GLY 4 Ca 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1j0g s GLY 4 CO -0.01 0.05 0.04 0.00 0.00 0.00 0.00 173.10 173.18 1j0g s ALA 5 N -3.80 0.30 -0.29 3.20 0.00 -1.26 -5.10 121.76 114.81 1j0g s ALA 5 Ca 0.04 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1j0g s ALA 5 Cb -0.02 -0.58 0.18 0.00 0.00 0.00 0.00 23.12 22.70 1j0g s ALA 5 CO -0.07 -0.41 0.48 0.00 0.00 0.00 0.00 175.76 175.76 1j0g s ALA 6 N 1.92 -1.69 -0.13 0.00 0.00 -1.26 -5.04 121.76 115.56 1j0g s ALA 6 Ca 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1j0g s ALA 6 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1j0g s ALA 6 CO -0.03 -1.79 -0.21 2.41 0.00 0.00 0.00 175.76 176.13 1j0g n THR 7 N 5.37 1.22 -2.98 0.00 -1.04 -1.26 -4.97 114.28 110.62 1j0g n THR 7 Ca 0.02 0.23 -0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1j0g n THR 7 Cb 0.51 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1j0g n THR 7 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1j0g s MET 8 N -2.29 0.68 -0.30 -2.82 -1.94 -1.26 -5.10 119.30 106.26 1j0g s MET 8 Ca -0.18 -0.37 -0.13 0.00 -1.71 0.00 0.00 55.69 53.30 1j0g s MET 8 Cb 0.02 0.04 0.18 0.00 2.01 0.00 0.00 34.83 37.09 1j0g s MET 8 CO 0.26 -0.93 1.12 -1.54 -0.01 0.00 0.00 175.02 173.92 1j0g s SER 9 N 1.61 -0.17 0.25 3.03 1.04 -1.26 -5.18 113.70 113.02 1j0g s SER 9 Ca 0.19 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.62 1j0g s SER 9 Cb -0.00 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.80 1j0g s SER 9 CO -0.09 -0.03 0.05 -0.54 0.98 0.00 0.00 173.24 173.62 1j0g s LYS 10 N 2.56 1.40 -0.07 4.02 1.02 -1.26 -3.81 119.74 123.60 1j0g s LYS 10 Ca 0.24 -1.74 0.01 0.00 0.02 0.00 0.00 55.97 54.50 1j0g s LYS 10 Cb 0.02 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 36.87 1j0g s LYS 10 CO -0.20 -0.20 -0.07 0.14 -0.92 0.00 0.00 175.35 174.10 1j0g s VAL 11 N -3.57 0.83 -0.22 3.17 -7.23 0.45 -4.80 120.40 109.04 1j0g s VAL 11 Ca 0.34 -0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 60.14 1j0g s VAL 11 Cb 0.07 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1j0g s VAL 11 CO 0.12 0.30 0.14 -0.94 -0.31 0.00 0.00 175.10 174.41 1j0g s SER 12 N 1.05 6.18 -0.38 4.85 1.04 -1.26 -2.80 113.70 122.39 1j0g s SER 12 Ca -0.08 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 1j0g s SER 12 Cb -0.14 -2.10 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1j0g s SER 12 CO -0.01 0.13 0.21 -0.36 0.98 0.00 0.00 173.24 174.20 1j0g s PHE 13 N 0.64 3.24 -0.75 5.02 0.08 -0.93 -4.74 117.98 120.55 1j0g s PHE 13 Ca 0.08 -0.95 -0.19 0.00 0.12 0.00 0.00 56.93 55.99 1j0g s PHE 13 Cb -0.12 -2.45 0.12 0.00 -0.57 0.00 0.00 43.02 40.00 1j0g s PHE 13 CO 0.01 -0.65 0.90 0.21 -0.10 0.00 0.00 175.22 175.59 1j0g s LYS 14 N 1.56 3.31 -0.19 0.44 2.20 -0.24 -3.18 119.74 123.64 1j0g s LYS 14 Ca 0.02 -1.52 -0.05 0.00 -0.36 0.00 0.00 55.97 54.06 1j0g s LYS 14 Cb -0.19 -4.50 -0.03 0.00 -1.51 0.00 0.00 37.83 31.61 1j0g s LYS 14 CO 0.07 -1.64 -0.00 0.42 -0.36 0.00 0.00 175.35 173.83 1j0g s ILE 15 N 2.63 3.97 -0.32 5.43 1.01 0.02 -2.40 121.20 131.55 1j0g s ILE 15 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1j0g s ILE 15 Cb -0.15 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.58 1j0g s ILE 15 CO -0.00 0.44 0.07 -0.89 0.00 0.00 0.00 174.94 174.55 1j0g s THR 16 N 0.86 3.57 0.42 2.92 2.01 -1.10 0.44 115.64 124.76 1j0g s THR 16 Ca 0.01 -1.10 -0.26 0.00 0.31 0.00 0.00 61.69 60.64 1j0g s THR 16 Cb -0.14 -2.98 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 1j0g s THR 16 CO 0.02 -0.09 1.34 -0.11 -0.69 0.00 0.00 174.62 175.09 1j0g n LEU 17 N 4.77 4.38 -3.11 4.42 7.94 -1.15 -4.25 117.00 129.99 1j0g n LEU 17 Ca -0.13 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.62 1j0g n LEU 17 Cb 0.45 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.82 1j0g n LEU 17 CO 0.30 -0.41 0.26 0.35 -1.11 0.00 0.00 177.39 176.79 1j0g n THR 18 N -0.09 3.25 0.00 1.96 -2.24 -1.26 -4.46 114.28 111.44 1j0g n THR 18 Ca 0.05 -5.56 0.00 0.00 -2.27 0.00 0.00 64.05 56.27 1j0g n THR 18 Cb 0.40 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1j0g n THR 18 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1j0g n SER 19 N 0.00 0.76 -4.99 3.42 2.88 -1.26 -5.05 113.62 109.38 1j0g n SER 19 Ca 0.32 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.68 1j0g n SER 19 Cb 0.38 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1j0g n SER 19 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1j0g s ASP 20 N -4.28 5.82 -0.05 -3.46 1.11 -1.26 -5.05 116.67 109.50 1j0g s ASP 20 Ca 0.00 -0.29 -0.25 0.00 0.18 0.00 0.00 52.55 52.19 1j0g s ASP 20 Cb 0.00 -1.01 -0.23 0.00 1.07 0.00 0.00 42.92 42.75 1j0g s ASP 20 CO 0.00 -0.54 1.05 1.55 1.18 0.00 0.00 175.17 178.41 1j0g h PRO 21 N 0.82 0.13 -0.39 8.23 0.13 -1.99 -3.14 132.00 135.81 1j0g h PRO 21 Ca -0.44 -0.13 0.11 0.00 -0.87 0.00 0.00 66.00 64.68 1j0g h PRO 21 Cb 1.26 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1j0g h PRO 21 CO 0.50 0.85 0.60 0.07 -0.23 0.00 0.00 178.00 179.80 1j0g h ARG 22 N -0.53 0.00 -5.97 0.86 0.11 -1.97 -3.45 114.38 103.41 1j0g h ARG 22 Ca -0.02 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.85 1j0g h ARG 22 Cb 0.90 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.99 1j0g h ARG 22 CO 0.03 0.00 -0.87 1.28 0.10 0.00 0.00 179.97 180.52 1j0g n LEU 23 N -3.32 -5.02 -4.61 0.08 4.32 -1.19 -4.82 117.00 102.44 1j0g n LEU 23 Ca 0.07 0.13 -0.43 0.00 -0.02 0.00 0.00 56.01 55.76 1j0g n LEU 23 Cb 0.76 -2.45 -0.02 0.00 -1.62 0.00 0.00 43.42 40.09 1j0g n LEU 23 CO 0.21 -1.07 1.20 -2.16 -1.22 0.00 0.00 177.39 174.35 1j0g s PRO 24 N -2.61 3.73 0.30 3.23 0.04 -1.26 -4.84 135.00 133.59 1j0g s PRO 24 Ca 0.31 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 1j0g s PRO 24 Cb -0.05 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.44 1j0g s PRO 24 CO 0.83 -1.37 0.73 1.52 0.04 0.00 0.00 177.00 178.75 1j0g s TYR 25 N 4.98 3.44 0.01 0.56 1.13 -1.26 -2.95 117.35 123.26 1j0g s TYR 25 Ca 0.60 1.25 0.07 0.00 -1.41 0.00 0.00 57.07 57.57 1j0g s TYR 25 Cb -0.15 -2.55 -0.02 0.00 -1.10 0.00 0.00 41.96 38.14 1j0g s TYR 25 CO 0.28 0.15 -0.20 0.21 -2.51 0.00 0.00 175.55 173.49 1j0g s LYS 26 N -2.75 1.49 -0.29 -3.49 2.36 0.17 -4.97 119.74 112.26 1j0g s LYS 26 Ca 0.51 -0.82 -0.04 0.00 -2.55 0.00 0.00 55.97 53.07 1j0g s LYS 26 Cb -0.12 -1.52 0.10 0.00 -1.05 0.00 0.00 37.83 35.25 1j0g s LYS 26 CO 0.18 0.40 0.13 0.54 1.55 0.00 0.00 175.35 178.15 1j0g s VAL 27 N -0.63 -0.01 0.02 4.02 0.11 -1.24 -0.80 120.40 121.86 1j0g s VAL 27 Ca 0.07 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1j0g s VAL 27 Cb -0.08 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1j0g s VAL 27 CO 0.00 -0.73 0.25 -0.22 -3.33 0.00 0.00 175.10 171.08 1j0g s LEU 28 N 2.06 4.36 -0.27 2.54 2.96 -1.19 -4.88 118.68 124.26 1j0g s LEU 28 Ca 0.09 0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1j0g s LEU 28 Cb -0.16 -2.75 0.04 0.00 0.50 0.00 0.00 46.19 43.82 1j0g s LEU 28 CO -0.36 0.23 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.30 1j0g s SER 29 N -1.90 4.53 0.11 3.68 0.15 -1.26 -2.19 113.70 116.81 1j0g s SER 29 Ca 0.29 -1.07 0.01 0.00 0.70 0.00 0.00 55.95 55.89 1j0g s SER 29 Cb -0.13 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1j0g s SER 29 CO 0.19 -0.18 -0.05 0.68 1.20 0.00 0.00 173.24 175.07 1j0g s VAL 30 N 1.28 0.64 0.08 4.45 -7.23 -1.12 -4.97 120.40 113.53 1j0g s VAL 30 Ca -0.03 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 1j0g s VAL 30 Cb -0.18 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.96 1j0g s VAL 30 CO -0.03 -0.82 1.16 -2.16 -0.31 0.00 0.00 175.10 172.93 1j0g s PRO 31 N -3.86 4.48 0.36 4.82 0.04 -1.26 -0.41 135.00 139.17 1j0g s PRO 31 Ca 0.13 1.72 0.19 0.00 0.04 0.00 0.00 61.00 63.09 1j0g s PRO 31 Cb 0.06 -3.34 1.30 0.00 0.04 0.00 0.00 34.50 32.55 1j0g s PRO 31 CO -0.04 -0.16 1.59 1.05 0.04 0.00 0.00 177.00 179.48 1j0g h GLU 32 N 6.41 0.03 -0.55 4.56 4.11 -1.87 1.45 114.58 128.73 1j0g h GLU 32 Ca -0.42 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.09 1j0g h GLU 32 Cb 1.21 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1j0g h GLU 32 CO 0.78 0.02 0.18 0.66 0.07 0.00 0.00 179.01 180.73 1j0g h SER 33 N 0.03 0.17 -3.31 3.06 4.64 -1.90 0.15 113.55 116.39 1j0g h SER 33 Ca 0.83 0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 61.65 1j0g h SER 33 Cb 2.15 0.07 0.14 0.00 -0.31 0.00 0.00 62.40 64.44 1j0g h SER 33 CO -0.76 0.11 0.22 0.41 -0.87 0.00 0.00 176.83 175.94 1j0g n THR 34 N -5.02 2.81 -1.65 2.95 -1.04 0.50 -4.24 114.28 108.59 1j0g n THR 34 Ca 0.07 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.27 1j0g n THR 34 Cb 0.24 -1.24 0.04 0.00 -1.82 0.00 0.00 70.33 67.55 1j0g n THR 34 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j0g s PRO 35 N -2.26 3.01 0.00 -2.82 0.04 -1.26 0.20 135.00 131.90 1j0g s PRO 35 Ca 0.66 0.99 0.27 0.00 0.04 0.00 0.00 61.00 62.96 1j0g s PRO 35 Cb -0.50 -2.00 0.88 0.00 0.04 0.00 0.00 34.50 32.91 1j0g s PRO 35 CO 0.54 -1.05 1.67 0.34 0.04 0.00 0.00 177.00 178.55 1j0g n PHE 36 N -2.96 0.00 0.06 0.56 -0.00 -1.26 -3.62 117.46 110.23 1j0g n PHE 36 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1j0g n PHE 36 Cb 0.53 -0.37 0.31 0.00 -0.00 0.00 0.00 39.48 39.95 1j0g n PHE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1j0g h THR 37 N 0.01 1.22 0.19 -2.13 1.03 -1.91 -2.67 112.91 108.65 1j0g h THR 37 Ca 0.00 -0.96 -0.01 0.00 -0.01 0.00 0.00 66.41 65.43 1j0g h THR 37 Cb 0.50 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1j0g h THR 37 CO 0.00 0.31 -0.09 0.00 -0.01 0.00 0.00 175.52 175.72 1j0g h ALA 38 N 1.51 -0.45 -0.71 0.00 0.00 -1.98 -3.09 119.26 114.54 1j0g h ALA 38 Ca 0.07 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.11 1j0g h ALA 38 Cb 0.46 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1j0g h ALA 38 CO 0.03 -0.43 -0.01 1.55 0.00 0.00 0.00 179.25 180.39 1j0g n VAL 39 N -3.53 -0.30 0.02 0.00 3.14 -1.22 0.51 118.33 116.95 1j0g n VAL 39 Ca -0.03 1.56 -0.03 0.00 -2.96 0.00 0.00 64.34 62.88 1j0g n VAL 39 Cb 0.10 -2.27 -0.02 0.00 -1.06 0.00 0.00 33.84 30.60 1j0g n VAL 39 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1j0g h LEU 40 N 0.00 -0.26 -0.36 6.55 6.46 -1.52 0.26 115.31 126.44 1j0g h LEU 40 Ca 0.42 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.27 1j0g h LEU 40 Cb 0.84 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.78 1j0g h LEU 40 CO -0.67 -0.09 -0.39 0.11 -0.62 0.00 0.00 178.44 176.78 1j0g h LYS 41 N -0.12 -0.31 -0.71 1.25 1.57 0.15 -1.66 116.57 116.74 1j0g h LYS 41 Ca -0.00 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1j0g h LYS 41 Cb 0.12 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 1j0g h LYS 41 CO -0.05 -0.21 -0.50 0.35 -0.57 0.00 0.00 179.45 178.48 1j0g h PHE 42 N -0.32 -1.59 -0.51 -1.35 3.04 -0.25 -0.02 116.94 115.94 1j0g h PHE 42 Ca 0.14 0.10 0.06 0.00 3.98 0.00 0.00 57.97 62.25 1j0g h PHE 42 Cb 0.57 0.79 -0.09 0.00 2.56 0.00 0.00 35.95 39.78 1j0g h PHE 42 CO -0.57 -0.35 -0.54 0.00 -2.02 0.00 0.00 178.31 174.82 1j0g h ALA 43 N 0.14 -0.68 -0.41 2.41 0.00 0.36 -0.24 119.26 120.83 1j0g h ALA 43 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1j0g h ALA 43 Cb 0.40 1.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1j0g h ALA 43 CO -0.72 -1.01 -0.24 0.00 0.00 0.00 0.00 179.25 177.28 1j0g h ALA 44 N 0.13 -0.23 -0.87 0.00 0.00 -0.18 0.50 119.26 118.60 1j0g h ALA 44 Ca 0.10 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.23 1j0g h ALA 44 Cb 0.57 1.15 -0.16 0.00 0.00 0.00 0.00 17.79 19.35 1j0g h ALA 44 CO -0.65 -0.40 -0.24 1.49 0.00 0.00 0.00 179.25 179.45 1j0g h GLU 45 N -0.00 -0.01 -0.35 0.00 4.81 -0.15 0.59 114.58 119.48 1j0g h GLU 45 Ca 0.07 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1j0g h GLU 45 Cb 0.17 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1j0g h GLU 45 CO -0.38 -0.01 0.03 0.93 -0.73 0.00 0.00 179.01 178.85 1j0g h GLU 46 N -0.01 0.13 0.00 1.92 4.39 0.15 0.32 114.58 121.48 1j0g h GLU 46 Ca 0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1j0g h GLU 46 Cb 0.63 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1j0g h GLU 46 CO -0.90 0.09 0.00 1.19 -1.16 0.00 0.00 179.01 178.23 1j0g n PHE 47 N -5.14 0.00 -2.68 4.33 3.72 0.18 -4.87 117.46 112.99 1j0g n PHE 47 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1j0g n PHE 47 Cb 0.17 -0.29 0.05 0.00 -0.94 0.00 0.00 39.48 38.47 1j0g n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j0g n LYS 48 N -1.29 -1.66 -4.13 -1.08 4.76 0.11 -5.05 118.16 109.82 1j0g n LYS 48 Ca 0.07 0.58 -0.11 0.00 -2.87 0.00 0.00 58.31 55.98 1j0g n LYS 48 Cb 0.12 -4.41 -0.10 0.00 -1.84 0.00 0.00 35.03 28.80 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1j0g s VAL 49 N -3.26 0.61 0.43 -0.18 -7.23 -0.93 -5.00 120.40 104.84 1j0g s VAL 49 Ca 0.29 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.52 1j0g s VAL 49 Cb -0.04 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.41 1j0g s VAL 49 CO 0.49 -0.77 1.05 -2.16 -0.31 0.00 0.00 175.10 173.40 1j0g s PRO 50 N -3.29 4.04 -0.80 4.82 0.04 -1.26 -4.06 135.00 134.49 1j0g s PRO 50 Ca 0.06 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 1j0g s PRO 50 Cb 0.02 -2.40 -0.12 0.00 0.04 0.00 0.00 34.50 32.04 1j0g s PRO 50 CO -0.04 -0.24 3.15 0.00 0.04 0.00 0.00 177.00 179.91 1j0g n ALA 51 N -0.36 6.88 0.00 8.56 0.00 -1.26 -3.37 120.51 130.96 1j0g n ALA 51 Ca 0.06 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.65 1j0g n ALA 51 Cb 0.50 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 52 N 2.62 1.54 -1.23 0.00 0.00 -1.26 -4.90 120.51 117.29 1j0g n ALA 52 Ca 0.59 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.78 1j0g n ALA 52 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1j0g n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j0g n THR 53 N -2.31 3.19 -4.09 0.00 -2.24 -1.22 -4.35 114.28 103.25 1j0g n THR 53 Ca 0.00 -2.50 -0.14 0.00 -2.27 0.00 0.00 64.05 59.14 1j0g n THR 53 Cb 0.00 -1.34 -0.13 0.00 -2.10 0.00 0.00 70.33 66.75 1j0g n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0g s SER 54 N -0.39 0.59 -0.30 3.42 1.04 -1.26 -3.15 113.70 113.65 1j0g s SER 54 Ca 0.47 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.56 1j0g s SER 54 Cb 0.36 -0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.60 1j0g s SER 54 CO -0.09 -0.04 0.75 0.00 0.98 0.00 0.00 173.24 174.85 1j0g s ALA 55 N -0.52 -2.27 -0.28 5.32 0.00 0.27 -4.18 121.76 120.10 1j0g s ALA 55 Ca -0.02 2.23 -0.20 0.00 0.00 0.00 0.00 51.96 53.96 1j0g s ALA 55 Cb -0.04 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1j0g s ALA 55 CO -0.00 -0.96 0.63 0.42 0.00 0.00 0.00 175.76 175.85 1j0g s ILE 56 N 2.76 4.96 -0.06 0.00 1.01 -1.26 0.12 121.20 128.74 1j0g s ILE 56 Ca -0.04 1.00 0.06 0.00 0.00 0.00 0.00 60.65 61.68 1j0g s ILE 56 Cb -0.10 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1j0g s ILE 56 CO -0.19 -0.05 -0.25 0.27 0.00 0.00 0.00 174.94 174.73 1j0g s ILE 57 N 2.55 2.04 0.68 2.92 -4.36 0.53 -4.07 121.20 121.49 1j0g s ILE 57 Ca 0.26 -1.06 -0.05 0.00 -0.26 0.00 0.00 60.65 59.53 1j0g s ILE 57 Cb -0.15 -1.73 0.06 0.00 1.25 0.00 0.00 42.46 41.89 1j0g s ILE 57 CO 0.10 0.57 0.97 0.28 0.24 0.00 0.00 174.94 177.10 1j0g s THR 58 N -0.17 2.34 -0.86 8.37 -1.32 -1.03 -1.58 115.64 121.38 1j0g s THR 58 Ca -0.03 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.83 1j0g s THR 58 Cb -0.14 -2.97 -0.14 0.00 -1.51 0.00 0.00 72.50 67.74 1j0g s THR 58 CO 0.04 0.00 2.30 0.20 -2.21 0.00 0.00 174.62 174.95 1j0g s ASN 59 N -4.52 3.95 0.00 8.08 0.01 -1.26 -1.29 114.94 119.90 1j0g s ASN 59 Ca 0.60 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1j0g s ASN 59 Cb -0.10 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1j0g s ASN 59 CO 0.44 -3.92 0.00 -0.67 -1.51 0.00 0.00 177.10 171.44 1j0g n ASP 60 N 18.33 0.00 -0.07 -1.22 2.03 -1.26 -4.98 116.55 129.38 1j0g n ASP 60 Ca 0.45 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1j0g n ASP 60 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j0g n GLY 61 N 0.00 0.51 2.92 0.27 0.00 -0.41 -5.11 105.19 103.37 1j0g n GLY 61 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1j0g n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 62 N -1.17 1.17 -0.30 -0.61 1.01 -1.25 -4.97 121.20 115.07 1j0g s ILE 62 Ca 0.00 -0.53 0.17 0.00 0.00 0.00 0.00 60.65 60.29 1j0g s ILE 62 Cb 0.00 -1.25 0.17 0.00 0.01 0.00 0.00 42.46 41.39 1j0g s ILE 62 CO 0.00 0.26 1.49 0.61 0.00 0.00 0.00 174.94 177.30 1j0g n GLY 63 N 4.87 -0.76 0.33 6.18 0.00 -1.26 -2.47 105.19 112.08 1j0g n GLY 63 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1j0g n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0g n ILE 64 N -2.09 -1.72 -4.08 -0.61 5.41 -1.26 -4.46 119.36 110.55 1j0g n ILE 64 Ca -0.01 0.47 -0.33 0.00 1.00 0.00 0.00 62.75 63.88 1j0g n ILE 64 Cb 0.07 -0.66 -0.16 0.00 -0.71 0.00 0.00 39.64 38.18 1j0g n ILE 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1j0g s ASN 65 N -2.45 3.41 -0.23 4.38 3.84 -1.26 -5.00 114.94 117.62 1j0g s ASN 65 Ca 0.00 -0.65 -0.05 0.00 0.21 0.00 0.00 52.86 52.37 1j0g s ASN 65 Cb 0.00 -1.53 -0.18 0.00 -0.55 0.00 0.00 41.25 38.99 1j0g s ASN 65 CO 0.00 -0.02 2.77 -0.81 -2.79 0.00 0.00 177.10 176.25 1j0g n PRO 66 N 4.64 1.73 0.11 0.43 -0.04 -1.26 -4.14 135.00 136.47 1j0g n PRO 66 Ca -0.20 -0.94 0.02 0.00 -0.04 0.00 0.00 63.50 62.34 1j0g n PRO 66 Cb 0.50 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g h ALA 67 N 4.13 0.66 -4.46 0.55 0.00 -2.01 -3.47 119.26 114.67 1j0g h ALA 67 Ca 0.24 -0.54 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 1j0g h ALA 67 Cb 0.96 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1j0g h ALA 67 CO 0.54 0.67 -0.22 0.00 0.00 0.00 0.00 179.25 180.24 1j0g n GLN 68 N -3.10 1.34 -2.34 0.00 0.00 -1.26 -5.13 117.38 106.88 1j0g n GLN 68 Ca -0.01 -1.72 -0.34 0.00 0.00 0.00 0.00 57.00 54.93 1j0g n GLN 68 Cb 0.75 0.52 -0.01 0.00 0.00 0.00 0.00 30.24 31.50 1j0g n GLN 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1j0g s THR 69 N -1.91 3.66 0.19 -0.39 -4.23 -1.26 -4.40 115.64 107.30 1j0g s THR 69 Ca 0.01 0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 61.30 1j0g s THR 69 Cb 0.00 -3.39 0.15 0.00 1.34 0.00 0.00 72.50 70.59 1j0g s THR 69 CO 0.01 -0.29 1.60 0.00 -0.54 0.00 0.00 174.62 175.40 1j0g h ALA 70 N 1.17 0.08 -0.08 3.99 0.00 0.26 1.58 119.26 126.26 1j0g h ALA 70 Ca -0.49 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1j0g h ALA 70 Cb 1.23 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1j0g h ALA 70 CO 0.58 -0.60 0.22 0.78 0.00 0.00 0.00 179.25 180.23 1j0g h GLY 71 N -0.13 0.00 0.48 0.00 0.00 -1.12 1.70 103.07 104.00 1j0g h GLY 71 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1j0g h GLY 71 CO -0.63 0.00 -1.32 0.70 0.00 0.00 0.00 176.54 175.29 1j0g n ASN 72 N -3.24 0.50 -0.08 0.19 4.13 0.47 -3.41 115.26 113.82 1j0g n ASN 72 Ca -0.01 -0.06 -0.23 0.00 1.68 0.00 0.00 54.58 55.97 1j0g n ASN 72 Cb 0.30 1.09 -0.12 0.00 -1.54 0.00 0.00 39.78 39.51 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1j0g n VAL 73 N -2.20 1.60 0.46 2.41 0.31 0.26 -3.01 118.33 118.15 1j0g n VAL 73 Ca -0.00 -0.28 0.08 0.00 -0.01 0.00 0.00 64.34 64.12 1j0g n VAL 73 Cb 0.50 -1.90 0.33 0.00 -0.91 0.00 0.00 33.84 31.87 1j0g n VAL 73 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1j0g n PHE 74 N -4.08 0.16 -0.10 3.52 -1.74 0.51 0.30 117.46 116.04 1j0g n PHE 74 Ca -0.36 0.06 -0.23 0.00 -0.56 0.00 0.00 57.45 56.36 1j0g n PHE 74 Cb 0.83 -0.60 -0.12 0.00 1.52 0.00 0.00 39.48 41.11 1j0g n PHE 74 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1j0g n LEU 75 N -1.65 2.00 0.15 5.98 7.94 -1.22 0.29 117.00 130.48 1j0g n LEU 75 Ca 0.03 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 1j0g n LEU 75 Cb 0.17 -0.96 0.20 0.00 0.53 0.00 0.00 43.42 43.36 1j0g n LEU 75 CO 0.14 0.41 0.53 0.07 -1.11 0.00 0.00 177.39 177.43 1j0g h LYS 76 N -0.85 0.00 0.00 1.96 2.10 -1.42 -3.33 116.57 115.04 1j0g h LYS 76 Ca -0.42 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 57.80 1j0g h LYS 76 Cb 1.46 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.73 1j0g h LYS 76 CO -0.21 0.57 -2.41 0.72 -2.00 0.00 0.00 179.45 176.12 1j0g n HIS 77 N -3.72 0.04 0.00 0.07 8.25 0.15 -5.08 115.22 114.92 1j0g n HIS 77 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1j0g n HIS 77 Cb 0.60 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1j0g n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0g n GLY 78 N 1.27 2.18 0.13 -1.41 0.00 0.14 -4.77 105.19 102.73 1j0g n GLY 78 Ca -0.52 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.24 1j0g n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j0g h SER 79 N 0.00 0.37 -3.32 1.61 4.64 -1.81 -3.39 113.55 111.65 1j0g h SER 79 Ca 0.00 -0.72 -0.60 0.00 -0.47 0.00 0.00 61.79 60.00 1j0g h SER 79 Cb 0.00 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 61.88 1j0g h SER 79 CO 0.00 1.63 0.42 -1.61 -0.87 0.00 0.00 176.83 176.40 1j0g s GLU 80 N -2.58 4.17 0.22 4.77 2.02 -1.26 -1.08 118.70 124.97 1j0g s GLU 80 Ca -0.16 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 55.61 1j0g s GLU 80 Cb 0.07 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 1j0g s GLU 80 CO 0.81 -0.50 0.35 -0.51 0.02 0.00 0.00 175.26 175.43 1j0g s LEU 81 N 2.78 0.64 -0.06 1.80 1.43 -1.01 -4.57 118.68 119.68 1j0g s LEU 81 Ca 0.33 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1j0g s LEU 81 Cb -0.15 1.29 -0.01 0.00 0.03 0.00 0.00 46.19 47.35 1j0g s LEU 81 CO 0.07 -1.02 -0.24 -0.13 0.23 0.00 0.00 176.35 175.27 1j0g s ARG 82 N -4.05 2.53 -0.37 1.70 0.52 -0.62 -2.71 118.95 115.95 1j0g s ARG 82 Ca 0.27 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 1j0g s ARG 82 Cb 0.02 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1j0g s ARG 82 CO 0.09 0.32 0.44 -1.50 0.02 0.00 0.00 175.30 174.67 1j0g s ILE 83 N -0.03 5.08 0.20 1.52 2.07 -1.26 -0.35 121.20 128.43 1j0g s ILE 83 Ca -0.07 0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1j0g s ILE 83 Cb -0.14 -3.94 -0.04 0.00 0.13 0.00 0.00 42.46 38.47 1j0g s ILE 83 CO 0.04 -0.24 0.09 0.27 -1.91 0.00 0.00 174.94 173.20 1j0g s ILE 84 N 2.21 4.13 -0.36 2.00 -5.25 0.31 -4.19 121.20 120.06 1j0g s ILE 84 Ca 0.15 -1.35 -0.29 0.00 -0.99 0.00 0.00 60.65 58.17 1j0g s ILE 84 Cb -0.16 -3.14 0.00 0.00 2.95 0.00 0.00 42.46 42.12 1j0g s ILE 84 CO 0.13 -0.19 1.38 -2.16 -1.79 0.00 0.00 174.94 172.31 1j0g s PRO 85 N -3.27 3.71 0.55 0.37 0.04 -1.26 0.98 135.00 136.12 1j0g s PRO 85 Ca 0.30 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 1j0g s PRO 85 Cb -0.09 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 1j0g s PRO 85 CO 0.22 -1.39 1.05 0.50 0.04 0.00 0.00 177.00 177.42 1j0g s ARG 86 N 4.64 3.51 -0.77 4.56 6.06 -1.19 -4.82 118.95 130.95 1j0g s ARG 86 Ca 0.60 1.25 -0.07 0.00 -2.50 0.00 0.00 55.73 55.01 1j0g s ARG 86 Cb -0.15 -2.06 0.20 0.00 0.06 0.00 0.00 34.95 33.00 1j0g s ARG 86 CO 0.29 -0.66 0.65 0.34 -2.50 0.00 0.00 175.30 173.42 1j0g s ASP 87 N -2.51 6.01 -0.09 -2.12 2.15 -1.26 -4.27 116.67 114.58 1j0g s ASP 87 Ca 0.65 -2.97 -0.07 0.00 0.43 0.00 0.00 52.55 50.58 1j0g s ASP 87 Cb -0.16 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1j0g s ASP 87 CO 0.31 -0.41 -0.16 0.54 -0.17 0.00 0.00 175.17 175.28 1j0g n ARG 88 N 3.43 0.26 -4.54 4.34 5.12 -1.26 -5.08 116.66 118.94 1j0g n ARG 88 Ca 0.13 0.11 -0.25 0.00 -1.93 0.00 0.00 57.85 55.91 1j0g n ARG 88 Cb 0.41 -0.95 -0.11 0.00 -1.16 0.00 0.00 32.46 30.66 1j0g n ARG 88 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1j0g s VAL 89 N -2.31 1.65 0.00 1.55 -7.23 -1.26 -5.03 120.40 107.77 1j0g s VAL 89 Ca -0.16 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1j0g s VAL 89 Cb 0.05 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1j0g s VAL 89 CO 0.21 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1j0g n GLY 90 N -0.82 0.53 3.50 2.32 0.00 -1.26 -4.99 105.19 104.46 1j0g n GLY 90 Ca -0.04 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1j0g n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0g n SER 91 N 0.00 4.07 -0.72 1.61 7.64 -1.26 -5.23 113.62 119.73 1j0g n SER 91 Ca 0.00 -2.82 0.09 0.00 1.01 0.00 0.00 58.87 57.15 1j0g n SER 91 Cb 0.00 -1.71 0.07 0.00 -1.01 0.00 0.00 64.21 61.57 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03