#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 -7.61 -4.80 1.61 7.64 -1.26 -4.87 113.62 104.33 1j0g n SER 2 Ca 0.00 1.55 -0.33 0.00 1.01 0.00 0.00 58.87 61.10 1j0g n SER 2 Cb 0.00 -4.70 0.02 0.00 -1.01 0.00 0.00 64.21 58.52 1j0g n SER 2 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1j0g s GLU 3 N -4.70 3.25 -0.03 1.43 1.03 -1.26 -5.06 118.70 113.35 1j0g s GLU 3 Ca 0.00 1.20 0.02 0.00 0.03 0.00 0.00 54.97 56.22 1j0g s GLU 3 Cb 0.00 -2.02 0.01 0.00 -0.80 0.00 0.00 34.13 31.32 1j0g s GLU 3 CO 0.00 -0.87 -0.06 0.20 -1.33 0.00 0.00 175.26 173.20 1j0g s GLY 4 N -2.85 0.40 -0.27 -3.83 0.00 -1.26 -5.12 107.32 94.39 1j0g s GLY 4 Ca 0.63 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 45.14 1j0g s GLY 4 CO 0.39 0.14 0.04 0.00 0.00 0.00 0.00 173.10 173.66 1j0g s ALA 5 N 0.44 2.98 -0.36 3.20 0.00 -1.26 -5.07 121.76 121.70 1j0g s ALA 5 Ca -0.06 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 1j0g s ALA 5 Cb -0.10 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1j0g s ALA 5 CO 0.00 -0.74 0.14 0.00 0.00 0.00 0.00 175.76 175.16 1j0g s ALA 6 N 1.49 3.11 -0.13 0.00 0.00 -1.26 -4.81 121.76 120.16 1j0g s ALA 6 Ca 0.04 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.10 1j0g s ALA 6 Cb -0.16 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1j0g s ALA 6 CO 0.01 -1.40 -0.18 0.25 0.00 0.00 0.00 175.76 174.44 1j0g n THR 7 N 4.84 0.83 0.00 0.00 -2.24 -1.26 -5.06 114.28 111.39 1j0g n THR 7 Ca -0.12 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1j0g n THR 7 Cb 0.44 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1j0g n THR 7 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1j0g n MET 8 N -3.66 0.00 -1.94 -0.78 1.56 -1.26 -5.08 117.12 105.96 1j0g n MET 8 Ca -0.25 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 56.81 1j0g n MET 8 Cb 0.64 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.98 1j0g n MET 8 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1j0g s SER 9 N 0.00 5.08 0.13 6.12 1.04 -1.26 -4.92 113.70 119.88 1j0g s SER 9 Ca 0.00 0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.93 1j0g s SER 9 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1j0g s SER 9 CO 0.00 -2.51 -0.10 -0.54 0.98 0.00 0.00 173.24 171.07 1j0g s LYS 10 N 7.32 0.99 0.10 4.02 1.02 -1.26 -3.63 119.74 128.29 1j0g s LYS 10 Ca 0.74 -1.38 0.10 0.00 0.02 0.00 0.00 55.97 55.45 1j0g s LYS 10 Cb -0.13 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1j0g s LYS 10 CO 0.21 0.06 -0.27 0.14 -0.92 0.00 0.00 175.35 174.57 1j0g s VAL 11 N -3.21 2.21 -0.07 3.17 -7.23 0.36 -4.78 120.40 110.85 1j0g s VAL 11 Ca 0.14 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1j0g s VAL 11 Cb 0.02 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1j0g s VAL 11 CO -0.00 0.19 -0.25 -0.94 -0.31 0.00 0.00 175.10 173.79 1j0g s SER 12 N -1.76 3.06 -0.32 4.85 1.04 -1.26 -1.45 113.70 117.87 1j0g s SER 12 Ca 0.13 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 1j0g s SER 12 Cb -0.10 -0.98 0.04 0.00 0.10 0.00 0.00 66.02 65.08 1j0g s SER 12 CO 0.05 0.22 0.05 -0.36 0.98 0.00 0.00 173.24 174.18 1j0g s PHE 13 N -0.04 3.24 -0.61 5.02 0.08 -1.17 -4.73 117.98 119.77 1j0g s PHE 13 Ca -0.07 -1.55 -0.18 0.00 0.12 0.00 0.00 56.93 55.25 1j0g s PHE 13 Cb -0.15 -2.20 0.11 0.00 -0.57 0.00 0.00 43.02 40.21 1j0g s PHE 13 CO 0.05 -0.74 0.71 0.21 -0.10 0.00 0.00 175.22 175.34 1j0g s LYS 14 N 1.35 3.08 0.19 0.44 2.20 -0.17 -2.11 119.74 124.72 1j0g s LYS 14 Ca -0.02 -1.42 0.08 0.00 -0.36 0.00 0.00 55.97 54.25 1j0g s LYS 14 Cb -0.19 -4.30 -0.04 0.00 -1.51 0.00 0.00 37.83 31.79 1j0g s LYS 14 CO 0.01 -1.53 -0.03 0.42 -0.36 0.00 0.00 175.35 173.87 1j0g s ILE 15 N 2.50 3.53 -0.09 5.43 1.01 -0.29 -2.83 121.20 130.47 1j0g s ILE 15 Ca 0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 60.65 59.20 1j0g s ILE 15 Cb -0.23 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.49 1j0g s ILE 15 CO 0.05 -0.14 0.02 -0.89 0.00 0.00 0.00 174.94 173.97 1j0g s THR 16 N -1.79 0.31 0.56 2.92 2.01 -1.20 -0.86 115.64 117.59 1j0g s THR 16 Ca 0.27 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 1j0g s THR 16 Cb -0.09 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1j0g s THR 16 CO 0.18 0.17 0.95 -0.11 -0.69 0.00 0.00 174.62 175.12 1j0g n LEU 17 N 5.16 3.28 -3.87 4.42 7.94 -1.12 -4.02 117.00 128.79 1j0g n LEU 17 Ca -0.07 0.86 -0.30 0.00 -1.11 0.00 0.00 56.01 55.39 1j0g n LEU 17 Cb 0.50 -1.37 -0.14 0.00 0.53 0.00 0.00 43.42 42.94 1j0g n LEU 17 CO 0.10 -1.83 -0.20 0.42 -1.11 0.00 0.00 177.39 174.77 1j0g s THR 18 N -1.47 2.17 0.23 1.96 -4.23 -1.26 -4.46 115.64 108.58 1j0g s THR 18 Ca 0.72 -3.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 1j0g s THR 18 Cb -0.45 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1j0g s THR 18 CO 0.50 -0.83 0.00 -1.54 -0.54 0.00 0.00 174.62 172.21 1j0g n SER 19 N 3.26 -2.03 -4.71 3.99 3.41 -1.26 -4.97 113.62 111.30 1j0g n SER 19 Ca 0.06 0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 59.00 1j0g n SER 19 Cb 0.33 2.11 0.15 0.00 -0.26 0.00 0.00 64.21 66.54 1j0g n SER 19 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1j0g s ASP 20 N -2.00 3.09 0.14 4.04 1.11 -1.26 -4.97 116.67 116.82 1j0g s ASP 20 Ca 0.00 1.22 -0.05 0.00 0.18 0.00 0.00 52.55 53.90 1j0g s ASP 20 Cb 0.00 -1.88 -0.07 0.00 1.07 0.00 0.00 42.92 42.05 1j0g s ASP 20 CO 0.00 -2.84 1.33 1.55 1.18 0.00 0.00 175.17 176.39 1j0g h PRO 21 N -1.69 0.45 -2.71 8.23 0.13 -2.01 -3.32 132.00 131.08 1j0g h PRO 21 Ca -0.52 -0.44 -0.78 0.00 -0.87 0.00 0.00 66.00 63.38 1j0g h PRO 21 Cb 1.32 0.12 -0.21 0.00 0.13 0.00 0.00 31.00 32.35 1j0g h PRO 21 CO 0.58 1.09 1.53 2.89 -0.23 0.00 0.00 178.00 183.86 1j0g n ARG 22 N -3.79 4.70 -1.44 0.86 1.85 -1.26 -4.97 116.66 112.61 1j0g n ARG 22 Ca -0.06 -4.12 -0.39 0.00 -1.00 0.00 0.00 57.85 52.28 1j0g n ARG 22 Cb 0.80 -2.60 -0.15 0.00 -1.05 0.00 0.00 32.46 29.46 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1j0g n LEU 23 N 1.39 0.21 -4.82 2.89 4.32 -1.25 -4.83 117.00 114.91 1j0g n LEU 23 Ca 0.45 0.15 -0.31 0.00 -0.02 0.00 0.00 56.01 56.27 1j0g n LEU 23 Cb 0.29 -0.87 0.04 0.00 -1.62 0.00 0.00 43.42 41.26 1j0g n LEU 23 CO 0.66 -0.72 0.71 -2.16 -1.22 0.00 0.00 177.39 174.67 1j0g s PRO 24 N 8.56 3.07 0.19 3.23 0.04 -1.26 -4.87 135.00 143.96 1j0g s PRO 24 Ca 1.30 1.02 0.10 0.00 0.04 0.00 0.00 61.00 63.46 1j0g s PRO 24 Cb -1.19 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1j0g s PRO 24 CO 0.47 -0.99 -0.15 1.52 0.04 0.00 0.00 177.00 177.89 1j0g s TYR 25 N -2.88 2.51 -0.13 0.56 -0.85 -1.26 -2.81 117.35 112.48 1j0g s TYR 25 Ca 0.59 -0.27 -0.07 0.00 -0.52 0.00 0.00 57.07 56.80 1j0g s TYR 25 Cb -0.14 -1.23 0.05 0.00 0.38 0.00 0.00 41.96 41.02 1j0g s TYR 25 CO 0.50 0.52 0.32 -1.59 -1.52 0.00 0.00 175.55 173.77 1j0g s LYS 26 N -2.81 0.29 -0.22 -3.49 0.00 -0.04 -5.00 119.74 108.47 1j0g s LYS 26 Ca 0.24 0.64 0.00 0.00 0.00 0.00 0.00 55.97 56.85 1j0g s LYS 26 Cb -0.08 -0.08 0.03 0.00 0.00 0.00 0.00 37.83 37.69 1j0g s LYS 26 CO 0.13 -0.16 -0.12 0.54 0.00 0.00 0.00 175.35 175.74 1j0g s VAL 27 N 1.33 2.45 0.64 1.79 0.11 -1.25 -1.13 120.40 124.34 1j0g s VAL 27 Ca -0.09 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 57.88 1j0g s VAL 27 Cb -0.10 -2.19 0.08 0.00 -1.53 0.00 0.00 36.38 32.64 1j0g s VAL 27 CO -0.10 0.31 0.90 -0.76 -3.33 0.00 0.00 175.10 172.11 1j0g s LEU 28 N 1.28 3.09 -0.17 2.54 1.43 -0.89 -4.86 118.68 121.09 1j0g s LEU 28 Ca 0.01 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1j0g s LEU 28 Cb -0.16 -2.54 0.08 0.00 0.03 0.00 0.00 46.19 43.60 1j0g s LEU 28 CO -0.08 -1.51 0.22 -0.94 0.23 0.00 0.00 176.35 174.27 1j0g s SER 29 N -4.57 1.12 0.13 2.29 1.04 -1.26 -3.03 113.70 109.41 1j0g s SER 29 Ca 0.61 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 1j0g s SER 29 Cb -0.08 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1j0g s SER 29 CO 0.42 -0.30 0.18 0.68 0.98 0.00 0.00 173.24 175.20 1j0g s VAL 30 N 2.33 0.11 0.11 5.02 -7.23 -0.53 -4.97 120.40 115.25 1j0g s VAL 30 Ca 0.05 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1j0g s VAL 30 Cb -0.15 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.01 1j0g s VAL 30 CO -0.10 -0.50 1.15 -2.16 -0.31 0.00 0.00 175.10 173.18 1j0g s PRO 31 N -3.95 4.50 0.60 4.82 0.04 -1.26 0.14 135.00 139.88 1j0g s PRO 31 Ca 0.14 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.21 1j0g s PRO 31 Cb 0.05 -3.32 1.21 0.00 0.04 0.00 0.00 34.50 32.48 1j0g s PRO 31 CO -0.04 -0.11 1.57 1.05 0.04 0.00 0.00 177.00 179.51 1j0g h GLU 32 N 6.07 0.00 -0.15 4.56 4.11 -1.86 1.04 114.58 128.35 1j0g h GLU 32 Ca -0.43 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 1j0g h GLU 32 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1j0g h GLU 32 CO 0.77 0.00 -0.08 1.03 0.07 0.00 0.00 179.01 180.80 1j0g h SER 33 N 0.00 0.33 -3.05 3.06 0.87 -1.89 -0.30 113.55 112.57 1j0g h SER 33 Ca 0.41 -0.42 -0.58 0.00 -1.23 0.00 0.00 61.79 59.97 1j0g h SER 33 Cb 2.28 -0.09 0.14 0.00 -0.44 0.00 0.00 62.40 64.29 1j0g h SER 33 CO -0.00 0.67 0.09 0.41 -0.53 0.00 0.00 176.83 177.47 1j0g n THR 34 N -4.64 2.53 -1.68 2.23 -1.04 0.36 -4.20 114.28 107.84 1j0g n THR 34 Ca -0.06 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.14 1j0g n THR 34 Cb 0.30 -1.08 0.04 0.00 -1.82 0.00 0.00 70.33 67.77 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 -2.07 3.04 0.04 -2.82 0.04 -1.26 0.20 135.00 132.17 1j0g s PRO 35 Ca 0.65 1.00 0.27 0.00 0.04 0.00 0.00 61.00 62.96 1j0g s PRO 35 Cb -0.54 -2.00 0.88 0.00 0.04 0.00 0.00 34.50 32.88 1j0g s PRO 35 CO 0.56 -1.02 1.70 0.34 0.04 0.00 0.00 177.00 178.61 1j0g n PHE 36 N -2.88 0.19 0.14 0.56 -0.00 -1.26 -3.44 117.46 110.76 1j0g n PHE 36 Ca 0.08 0.06 -0.01 0.00 -0.00 0.00 0.00 57.45 57.57 1j0g n PHE 36 Cb 0.53 -0.51 0.21 0.00 -0.00 0.00 0.00 39.48 39.71 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 0.00 1.40 0.00 -2.13 1.03 -1.91 -2.66 112.91 108.63 1j0g h THR 37 Ca 0.00 -1.90 -0.13 0.00 -0.01 0.00 0.00 66.41 64.37 1j0g h THR 37 Cb 0.56 2.01 -0.02 0.00 -1.07 0.00 0.00 68.15 69.63 1j0g h THR 37 CO 0.00 0.55 -0.64 0.00 -0.01 0.00 0.00 175.52 175.42 1j0g h ALA 38 N 1.42 0.69 0.50 0.00 0.00 -1.97 -3.27 119.26 116.63 1j0g h ALA 38 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1j0g h ALA 38 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j0g h ALA 38 CO 0.07 0.80 -0.24 0.28 0.00 0.00 0.00 179.25 180.16 1j0g h VAL 39 N 0.00 0.50 -0.81 0.00 2.07 -1.59 -2.27 116.25 114.15 1j0g h VAL 39 Ca -0.01 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1j0g h VAL 39 Cb 1.35 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 1j0g h VAL 39 CO 0.08 0.02 -0.50 0.25 0.02 0.00 0.00 177.57 177.44 1j0g h LEU 40 N -0.73 -1.83 -0.63 2.57 5.85 -1.58 1.58 115.31 120.55 1j0g h LEU 40 Ca -0.07 0.28 0.11 0.00 0.84 0.00 0.00 57.88 59.03 1j0g h LEU 40 Cb 0.54 0.80 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 1j0g h LEU 40 CO 0.11 -0.21 -0.35 0.11 -0.34 0.00 0.00 178.44 177.77 1j0g h LYS 41 N -0.02 -0.15 0.76 1.25 1.57 -1.62 0.11 116.57 118.47 1j0g h LYS 41 Ca 0.13 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1j0g h LYS 41 Cb 0.36 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1j0g h LYS 41 CO -0.78 -0.10 -0.43 0.35 -0.57 0.00 0.00 179.45 177.92 1j0g h PHE 42 N -0.15 -1.15 -0.98 -1.35 3.04 0.35 -2.64 116.94 114.06 1j0g h PHE 42 Ca 0.24 -0.02 0.23 0.00 3.98 0.00 0.00 57.97 62.40 1j0g h PHE 42 Cb 0.56 0.40 -0.19 0.00 2.56 0.00 0.00 35.95 39.28 1j0g h PHE 42 CO -0.67 -0.67 -0.12 0.00 -2.02 0.00 0.00 178.31 174.83 1j0g n ALA 43 N -2.65 0.36 -0.15 2.41 0.00 0.50 0.14 120.51 121.11 1j0g n ALA 43 Ca -0.14 1.07 -0.06 0.00 0.00 0.00 0.00 53.44 54.31 1j0g n ALA 43 Cb 0.46 -0.71 0.01 0.00 0.00 0.00 0.00 19.45 19.21 1j0g n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g h ALA 44 N 1.97 -0.02 -1.00 0.00 0.00 -0.46 0.37 119.26 120.11 1j0g h ALA 44 Ca 0.53 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.70 1j0g h ALA 44 Cb 0.96 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 1j0g h ALA 44 CO -0.97 -0.65 0.63 0.93 0.00 0.00 0.00 179.25 179.20 1j0g h GLU 45 N -0.18 0.98 -0.29 0.00 4.39 0.13 0.24 114.58 119.86 1j0g h GLU 45 Ca 0.21 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1j0g h GLU 45 Cb 0.51 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1j0g h GLU 45 CO -0.57 0.65 0.19 0.93 -1.16 0.00 0.00 179.01 179.05 1j0g h GLU 46 N 1.01 0.31 -0.47 2.33 4.39 0.86 0.12 114.58 123.13 1j0g h GLU 46 Ca 0.49 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1j0g h GLU 46 Cb 0.46 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1j0g h GLU 46 CO -0.25 0.20 0.00 1.19 -1.16 0.00 0.00 179.01 178.99 1j0g n PHE 47 N -4.49 1.66 -3.98 4.33 3.72 0.63 -4.95 117.46 114.37 1j0g n PHE 47 Ca 0.02 -0.78 -0.41 0.00 -0.05 0.00 0.00 57.45 56.23 1j0g n PHE 47 Cb 0.13 -0.43 0.02 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.23 -0.65 -4.17 -1.08 4.01 0.03 -4.96 118.16 111.58 1j0g n LYS 48 Ca 0.25 0.19 -0.12 0.00 -0.51 0.00 0.00 58.31 58.12 1j0g n LYS 48 Cb 1.08 -3.09 -0.10 0.00 -0.51 0.00 0.00 35.03 32.41 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1j0g s VAL 49 N -3.58 0.79 0.21 -0.18 -7.23 0.02 -4.99 120.40 105.44 1j0g s VAL 49 Ca 0.44 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1j0g s VAL 49 Cb -0.22 -1.47 -0.08 0.00 0.56 0.00 0.00 36.38 35.17 1j0g s VAL 49 CO 0.94 -0.71 1.11 -2.16 -0.31 0.00 0.00 175.10 173.97 1j0g s PRO 50 N -3.24 4.60 -1.46 4.82 0.04 -1.26 -3.96 135.00 134.54 1j0g s PRO 50 Ca 0.08 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 1j0g s PRO 50 Cb 0.01 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1j0g s PRO 50 CO -0.02 0.11 2.61 0.00 0.04 0.00 0.00 177.00 179.73 1j0g n ALA 51 N 2.04 7.04 0.00 8.56 0.00 -1.26 -3.63 120.51 133.27 1j0g n ALA 51 Ca 0.02 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.61 1j0g n ALA 51 Cb 0.46 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 2.77 1.08 -1.22 0.00 0.00 -1.26 -4.90 120.51 116.98 1j0g n ALA 52 Ca 0.68 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.83 1j0g n ALA 52 Cb 0.25 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.41 3.38 -4.06 0.00 -2.24 -1.24 -4.77 114.28 102.94 1j0g n THR 53 Ca 0.00 -2.45 -0.07 0.00 -2.27 0.00 0.00 64.05 59.26 1j0g n THR 53 Cb 0.00 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 1j0g n THR 53 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1j0g s SER 54 N -1.45 0.43 0.02 3.42 0.01 -1.26 -1.54 113.70 113.33 1j0g s SER 54 Ca 0.59 -0.90 -0.28 0.00 1.31 0.00 0.00 55.95 56.66 1j0g s SER 54 Cb 0.47 0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.98 1j0g s SER 54 CO 0.03 -0.56 0.73 0.00 0.41 0.00 0.00 173.24 173.85 1j0g s ALA 55 N -3.53 -1.74 -0.06 1.44 0.00 0.18 -4.45 121.76 113.60 1j0g s ALA 55 Ca 0.03 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1j0g s ALA 55 Cb 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1j0g s ALA 55 CO -0.09 -0.57 -0.14 0.42 0.00 0.00 0.00 175.76 175.38 1j0g s ILE 56 N -2.47 3.05 0.17 0.00 1.01 -1.26 0.78 121.20 122.49 1j0g s ILE 56 Ca -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1j0g s ILE 56 Cb -0.01 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1j0g s ILE 56 CO -0.03 0.58 -0.06 0.27 0.00 0.00 0.00 174.94 175.70 1j0g s ILE 57 N -0.62 1.07 0.48 2.92 -4.36 -0.52 -3.98 121.20 116.19 1j0g s ILE 57 Ca 0.09 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 1j0g s ILE 57 Cb -0.11 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.58 1j0g s ILE 57 CO 0.01 -0.59 0.43 0.28 0.24 0.00 0.00 174.94 175.31 1j0g s THR 58 N -3.40 2.26 0.17 8.37 -1.32 -1.26 -2.62 115.64 117.84 1j0g s THR 58 Ca 0.21 -1.36 -0.30 0.00 -1.21 0.00 0.00 61.69 59.03 1j0g s THR 58 Cb 0.04 -2.62 -0.17 0.00 -1.51 0.00 0.00 72.50 68.23 1j0g s THR 58 CO 0.03 0.00 0.62 0.59 -2.21 0.00 0.00 174.62 173.65 1j0g n ASN 59 N -1.69 -1.00 -0.37 8.08 3.02 -1.26 0.20 115.26 122.23 1j0g n ASN 59 Ca 0.03 1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 55.67 1j0g n ASN 59 Cb 0.63 -0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 1j0g n ASN 59 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j0g n ASP 60 N 1.91 -4.66 -3.98 6.41 8.00 -1.26 -3.58 116.55 119.40 1j0g n ASP 60 Ca 0.18 0.12 -0.39 0.00 0.71 0.00 0.00 54.79 55.42 1j0g n ASP 60 Cb 0.22 -2.59 0.01 0.00 -0.02 0.00 0.00 41.12 38.75 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j0g n GLY 61 N -0.97 -0.84 0.72 0.44 0.00 0.53 -4.79 105.19 100.28 1j0g n GLY 61 Ca -0.05 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1j0g n GLY 61 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j0g n ILE 62 N -4.20 0.46 -2.15 -0.61 3.06 -1.20 -4.89 119.36 109.83 1j0g n ILE 62 Ca -0.14 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.61 1j0g n ILE 62 Cb 0.53 0.32 0.00 0.00 0.54 0.00 0.00 39.64 41.03 1j0g n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1j0g n GLY 63 N 1.16 -5.05 3.78 4.50 0.00 -1.26 -4.94 105.19 103.38 1j0g n GLY 63 Ca 0.14 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1j0g n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 64 N -0.51 3.20 -0.05 -0.61 1.01 -1.26 -4.87 121.20 118.11 1j0g s ILE 64 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 1j0g s ILE 64 Cb 0.00 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1j0g s ILE 64 CO 0.00 -0.51 0.08 0.20 0.00 0.00 0.00 174.94 174.71 1j0g s ASN 65 N -3.72 1.01 -0.18 3.58 0.01 -1.26 -5.03 114.94 109.35 1j0g s ASN 65 Ca 0.61 0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 52.84 1j0g s ASN 65 Cb -0.15 -0.05 -0.18 0.00 0.41 0.00 0.00 41.25 41.28 1j0g s ASN 65 CO 0.55 -0.24 2.79 -0.81 -1.51 0.00 0.00 177.10 177.88 1j0g n PRO 66 N 5.26 1.68 0.06 -0.60 -0.04 -1.26 -4.17 135.00 135.93 1j0g n PRO 66 Ca -0.04 -0.90 -0.07 0.00 -0.04 0.00 0.00 63.50 62.44 1j0g n PRO 66 Cb 0.50 -1.98 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 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 4.05 0.38 -1.89 0.55 0.00 -2.00 -3.47 119.26 116.87 1j0g h ALA 67 Ca 0.22 -0.95 -0.52 0.00 0.00 0.00 0.00 54.91 53.66 1j0g h ALA 67 Cb 1.00 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 1j0g h ALA 67 CO 0.49 1.27 -0.60 1.14 0.00 0.00 0.00 179.25 181.54 1j0g s GLN 68 N -2.70 1.75 0.68 0.00 0.00 -1.26 -5.12 119.66 113.01 1j0g s GLN 68 Ca 0.00 -1.98 -0.17 0.00 -0.00 0.00 0.00 55.36 53.21 1j0g s GLN 68 Cb 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 33.01 32.01 1j0g s GLN 68 CO 0.82 -0.16 0.92 0.25 0.00 0.00 0.00 175.29 177.12 1j0g n THR 69 N -0.78 3.08 -0.20 3.63 -2.24 -1.26 -4.38 114.28 112.13 1j0g n THR 69 Ca -0.03 -0.42 -0.04 0.00 -2.27 0.00 0.00 64.05 61.28 1j0g n THR 69 Cb 0.67 -1.08 0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1j0g n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0g h ALA 70 N -0.01 0.08 -0.09 6.98 0.00 0.23 1.69 119.26 128.13 1j0g h ALA 70 Ca -0.48 0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1j0g h ALA 70 Cb 1.35 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1j0g h ALA 70 CO 0.48 -0.61 0.24 0.78 0.00 0.00 0.00 179.25 180.13 1j0g h GLY 71 N -0.13 0.00 0.43 0.00 0.00 -1.18 1.72 103.07 103.92 1j0g h GLY 71 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1j0g h GLY 71 CO -0.66 0.00 -1.40 0.70 0.00 0.00 0.00 176.54 175.18 1j0g n ASN 72 N -3.25 0.46 -0.07 0.19 3.02 0.51 -3.46 115.26 112.64 1j0g n ASN 72 Ca -0.00 -0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.29 1j0g n ASN 72 Cb 0.32 1.19 -0.12 0.00 -0.61 0.00 0.00 39.78 40.55 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j0g n VAL 73 N -2.24 1.62 0.45 2.41 0.31 0.27 -2.95 118.33 118.19 1j0g n VAL 73 Ca -0.01 -0.27 0.08 0.00 -0.01 0.00 0.00 64.34 64.13 1j0g n VAL 73 Cb 0.51 -1.91 0.33 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.18 -0.10 3.52 -1.74 0.52 0.35 117.46 116.11 1j0g n PHE 74 Ca -0.34 0.07 -0.23 0.00 -0.56 0.00 0.00 57.45 56.39 1j0g n PHE 74 Cb 0.82 -0.62 -0.12 0.00 1.52 0.00 0.00 39.48 41.09 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 -1.66 1.99 0.14 5.98 7.94 -1.23 0.20 117.00 130.36 1j0g n LEU 75 Ca 0.03 0.37 -0.01 0.00 -1.11 0.00 0.00 56.01 55.30 1j0g n LEU 75 Cb 0.17 -0.96 0.18 0.00 0.53 0.00 0.00 43.42 43.34 1j0g n LEU 75 CO 0.14 0.40 0.51 0.07 -1.11 0.00 0.00 177.39 177.40 1j0g h LYS 76 N -0.85 0.00 0.00 1.96 2.10 -1.40 -3.32 116.57 115.06 1j0g h LYS 76 Ca -0.41 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 57.83 1j0g h LYS 76 Cb 1.45 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.72 1j0g h LYS 76 CO -0.20 0.60 -2.22 0.72 -2.00 0.00 0.00 179.45 176.34 1j0g n HIS 77 N -3.76 0.24 0.00 0.07 8.25 0.16 -5.09 115.22 115.09 1j0g n HIS 77 Ca -0.01 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1j0g n HIS 77 Cb 0.61 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 1.30 2.50 0.08 -1.41 0.00 0.13 -4.78 105.19 103.00 1j0g n GLY 78 Ca -0.49 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.39 1j0g n GLY 78 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j0g h SER 79 N 0.00 0.00 -3.52 1.61 0.87 -1.81 -3.40 113.55 107.29 1j0g h SER 79 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.92 1j0g h SER 79 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1j0g h SER 79 CO 0.00 0.91 0.30 -1.61 -0.53 0.00 0.00 176.83 175.90 1j0g s GLU 80 N -2.68 3.34 0.12 2.24 2.02 -1.26 -1.00 118.70 121.47 1j0g s GLU 80 Ca -0.03 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 1j0g s GLU 80 Cb 0.08 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 1j0g s GLU 80 CO 0.82 -1.15 0.11 -0.51 0.02 0.00 0.00 175.26 174.54 1j0g s LEU 81 N 3.20 1.69 0.03 1.80 1.43 -1.13 -4.68 118.68 121.03 1j0g s LEU 81 Ca 0.27 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1j0g s LEU 81 Cb -0.13 0.57 -0.03 0.00 0.03 0.00 0.00 46.19 46.63 1j0g s LEU 81 CO 0.20 -0.74 -0.16 -0.13 0.23 0.00 0.00 176.35 175.75 1j0g s ARG 82 N -3.98 2.17 -0.26 1.70 0.52 -1.08 -3.22 118.95 114.80 1j0g s ARG 82 Ca 0.17 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 1j0g s ARG 82 Cb 0.06 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 1j0g s ARG 82 CO -0.03 0.55 0.16 -1.50 0.02 0.00 0.00 175.30 174.50 1j0g s ILE 83 N -0.93 5.12 0.18 1.52 2.07 -1.26 -1.43 121.20 126.48 1j0g s ILE 83 Ca 0.15 0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.58 1j0g s ILE 83 Cb -0.11 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 39.03 1j0g s ILE 83 CO 0.06 0.30 -0.07 0.27 -1.91 0.00 0.00 174.94 173.58 1j0g s ILE 84 N 1.50 3.29 0.28 2.00 -5.25 0.23 -4.01 121.20 119.25 1j0g s ILE 84 Ca 0.07 -1.64 -0.29 0.00 -0.99 0.00 0.00 60.65 57.80 1j0g s ILE 84 Cb -0.15 -2.64 -0.09 0.00 2.95 0.00 0.00 42.46 42.52 1j0g s ILE 84 CO 0.08 -0.13 1.08 -2.16 -1.79 0.00 0.00 174.94 172.02 1j0g s PRO 85 N -2.90 4.65 -0.76 0.37 0.04 -1.26 0.49 135.00 135.63 1j0g s PRO 85 Ca 0.26 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1j0g s PRO 85 Cb -0.09 -3.17 0.20 0.00 0.04 0.00 0.00 34.50 31.48 1j0g s PRO 85 CO 0.16 0.23 0.65 -2.13 0.04 0.00 0.00 177.00 175.95 1j0g n ARG 86 N 1.17 2.25 -3.68 4.56 0.63 -0.59 -4.77 116.66 116.23 1j0g n ARG 86 Ca -0.01 -4.53 -0.09 0.00 -0.92 0.00 0.00 57.85 52.30 1j0g n ARG 86 Cb 0.45 -2.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.94 1j0g n ARG 86 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1j0g s ASP 87 N -1.35 -0.65 0.06 6.15 2.15 -1.26 -4.27 116.67 117.50 1j0g s ASP 87 Ca 0.29 1.09 -0.21 0.00 0.43 0.00 0.00 52.55 54.15 1j0g s ASP 87 Cb -0.01 0.97 -0.12 0.00 -0.30 0.00 0.00 42.92 43.47 1j0g s ASP 87 CO -0.12 -0.21 1.50 0.03 -0.17 0.00 0.00 175.17 176.20 1j0g h ARG 88 N 7.04 0.29 -4.38 4.34 3.08 -2.00 -3.45 114.38 119.30 1j0g h ARG 88 Ca -0.34 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.40 1j0g h ARG 88 Cb 1.20 -0.03 -0.19 0.00 0.08 0.00 0.00 29.97 31.03 1j0g h ARG 88 CO 0.25 0.50 -0.71 0.54 -1.07 0.00 0.00 179.97 179.48 1j0g s VAL 89 N -5.01 0.41 0.00 2.04 0.11 -1.26 -5.16 120.40 111.53 1j0g s VAL 89 Ca -0.14 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 1j0g s VAL 89 Cb 0.06 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1j0g s VAL 89 CO 0.72 -0.60 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1j0g n GLY 90 N 1.01 2.78 2.38 6.54 0.00 -1.26 -5.10 105.19 111.55 1j0g n GLY 90 Ca -0.20 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1j0g n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0g n SER 91 N -1.72 -7.02 0.00 1.61 2.88 -1.26 -5.27 113.62 102.85 1j0g n SER 91 Ca 0.00 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 1j0g n SER 91 Cb 0.00 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 58.73 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81