#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g s SER 2 N 0.00 6.86 0.51 1.61 0.01 -1.26 -4.84 113.70 116.59 1j0g s SER 2 Ca 0.00 -2.49 0.00 0.00 1.31 0.00 0.00 55.95 54.77 1j0g s SER 2 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1j0g s SER 2 CO 0.00 -1.01 0.00 -0.62 0.41 0.00 0.00 173.24 172.02 1j0g n GLU 3 N 6.89 -3.97 -0.57 12.44 1.02 -1.26 -5.05 120.64 130.15 1j0g n GLU 3 Ca 0.37 3.02 0.00 0.00 -0.02 0.00 0.00 57.16 60.53 1j0g n GLU 3 Cb 0.46 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 1j0g n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j0g n GLY 4 N -1.72 -1.07 3.92 0.62 0.00 -1.26 -5.10 105.19 100.59 1j0g n GLY 4 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 1j0g n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0g s ALA 5 N 0.00 3.13 0.19 4.61 0.00 -1.26 -4.40 121.76 124.03 1j0g s ALA 5 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1j0g s ALA 5 Cb 0.00 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1j0g s ALA 5 CO 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 175.76 174.48 1j0g s ALA 6 N -3.23 1.62 0.00 0.00 0.00 -1.26 -5.04 121.76 113.84 1j0g s ALA 6 Ca 0.59 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1j0g s ALA 6 Cb -0.11 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1j0g s ALA 6 CO 0.45 -0.18 0.00 -2.37 0.00 0.00 0.00 175.76 173.66 1j0g n THR 7 N -0.31 0.00 -1.40 0.00 5.66 -1.26 -4.89 114.28 112.08 1j0g n THR 7 Ca -0.07 0.00 -0.53 0.00 -3.05 0.00 0.00 64.05 60.40 1j0g n THR 7 Cb 0.62 -0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 1j0g n THR 7 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1j0g n MET 8 N -2.17 0.00 -2.05 1.09 2.81 -1.26 -4.17 117.12 111.38 1j0g n MET 8 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1j0g n MET 8 Cb 0.00 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1j0g n MET 8 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1j0g n SER 9 N 1.60 -8.53 -4.41 7.83 7.64 -1.26 -4.72 113.62 111.77 1j0g n SER 9 Ca 0.18 1.44 -0.20 0.00 1.01 0.00 0.00 58.87 61.30 1j0g n SER 9 Cb 0.13 -4.73 -0.10 0.00 -1.01 0.00 0.00 64.21 58.50 1j0g n SER 9 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j0g s LYS 10 N -0.82 1.52 -0.04 1.43 1.02 -1.26 -3.31 119.74 118.28 1j0g s LYS 10 Ca 0.00 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.19 1j0g s LYS 10 Cb 0.00 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1j0g s LYS 10 CO 0.00 -0.05 0.08 0.14 -0.92 0.00 0.00 175.35 174.60 1j0g s VAL 11 N -3.17 -0.06 -0.23 3.17 -7.23 -0.08 -4.80 120.40 107.99 1j0g s VAL 11 Ca 0.31 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.63 1j0g s VAL 11 Cb 0.05 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.81 1j0g s VAL 11 CO 0.12 0.09 0.04 -0.94 -0.31 0.00 0.00 175.10 174.10 1j0g s SER 12 N 1.20 5.06 -0.30 4.85 1.04 -1.25 -2.67 113.70 121.63 1j0g s SER 12 Ca -0.08 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.04 1j0g s SER 12 Cb -0.12 -1.89 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 1j0g s SER 12 CO -0.04 0.02 0.26 -0.36 0.98 0.00 0.00 173.24 174.09 1j0g s PHE 13 N 1.30 3.22 -0.56 5.02 0.08 -1.01 -4.81 117.98 121.23 1j0g s PHE 13 Ca 0.04 0.07 -0.20 0.00 0.12 0.00 0.00 56.93 56.97 1j0g s PHE 13 Cb -0.15 -2.48 0.07 0.00 -0.57 0.00 0.00 43.02 39.89 1j0g s PHE 13 CO 0.03 -0.26 0.74 0.21 -0.10 0.00 0.00 175.22 175.83 1j0g s LYS 14 N 1.85 3.12 0.22 0.44 2.20 0.35 -2.54 119.74 125.38 1j0g s LYS 14 Ca 0.09 -0.93 0.10 0.00 -0.36 0.00 0.00 55.97 54.87 1j0g s LYS 14 Cb -0.16 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.95 1j0g s LYS 14 CO 0.11 -1.44 -0.14 0.42 -0.36 0.00 0.00 175.35 173.95 1j0g s ILE 15 N 3.02 2.88 -0.03 5.43 1.01 -1.16 -1.78 121.20 130.56 1j0g s ILE 15 Ca 0.17 -1.97 -0.00 0.00 0.00 0.00 0.00 60.65 58.85 1j0g s ILE 15 Cb -0.19 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1j0g s ILE 15 CO 0.11 -0.23 0.02 -0.89 0.00 0.00 0.00 174.94 173.95 1j0g s THR 16 N -1.99 0.07 0.55 2.92 2.01 -1.22 -2.51 115.64 115.47 1j0g s THR 16 Ca 0.26 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1j0g s THR 16 Cb -0.07 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1j0g s THR 16 CO 0.15 0.15 1.27 -0.22 -0.69 0.00 0.00 174.62 175.27 1j0g s LEU 17 N 1.35 3.80 -0.07 4.42 2.96 -1.14 -3.74 118.68 126.25 1j0g s LEU 17 Ca -0.05 2.55 0.11 0.00 -0.22 0.00 0.00 54.13 56.51 1j0g s LEU 17 Cb -0.13 -4.40 0.17 0.00 0.50 0.00 0.00 46.19 42.33 1j0g s LEU 17 CO -0.03 -1.49 1.08 0.35 -1.32 0.00 0.00 176.35 174.95 1j0g n THR 18 N -1.18 1.03 -0.08 3.68 -2.24 -1.26 -4.08 114.28 110.17 1j0g n THR 18 Ca 0.11 -1.26 -0.09 0.00 -2.27 0.00 0.00 64.05 60.53 1j0g n THR 18 Cb 0.47 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 1j0g n THR 18 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j0g n SER 19 N -0.77 2.37 -4.83 3.42 3.41 -1.26 -4.99 113.62 110.97 1j0g n SER 19 Ca 0.09 -0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 58.29 1j0g n SER 19 Cb 0.67 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -5.21 6.92 -0.59 4.04 1.11 -1.26 -4.94 116.67 116.74 1j0g s ASP 20 Ca -0.16 1.25 -0.06 0.00 0.18 0.00 0.00 52.55 53.76 1j0g s ASP 20 Cb 0.05 -2.35 -0.14 0.00 1.07 0.00 0.00 42.92 41.55 1j0g s ASP 20 CO 0.44 0.03 2.67 -0.81 1.18 0.00 0.00 175.17 178.69 1j0g n PRO 21 N 0.62 2.12 0.00 8.23 -0.04 -1.26 -2.91 135.00 141.76 1j0g n PRO 21 Ca -0.03 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1j0g n PRO 21 Cb 0.52 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1j0g n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j0g n ARG 22 N 3.25 0.00 -2.69 0.54 5.12 -1.26 -5.08 116.66 116.54 1j0g n ARG 22 Ca 0.45 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 56.31 1j0g n ARG 22 Cb 0.44 -0.11 0.03 0.00 -1.16 0.00 0.00 32.46 31.67 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1j0g n LEU 23 N -2.03 -4.91 -4.77 0.55 4.32 -1.15 -5.02 117.00 103.98 1j0g n LEU 23 Ca 0.00 -0.33 -0.30 0.00 -0.02 0.00 0.00 56.01 55.37 1j0g n LEU 23 Cb 0.00 -2.51 0.19 0.00 -1.62 0.00 0.00 43.42 39.47 1j0g n LEU 23 CO 0.00 -0.27 0.74 -2.16 -1.22 0.00 0.00 177.39 174.48 1j0g s PRO 24 N -3.60 0.17 0.09 3.23 0.04 -1.26 -4.75 135.00 128.91 1j0g s PRO 24 Ca 0.20 -0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.20 1j0g s PRO 24 Cb -0.03 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1j0g s PRO 24 CO 0.53 -2.78 -0.12 1.52 0.04 0.00 0.00 177.00 176.18 1j0g s TYR 25 N -3.41 1.16 -0.28 0.56 -0.85 -1.26 -2.90 117.35 110.37 1j0g s TYR 25 Ca 0.70 -0.55 -0.16 0.00 -0.52 0.00 0.00 57.07 56.54 1j0g s TYR 25 Cb -0.09 -0.64 0.08 0.00 0.38 0.00 0.00 41.96 41.70 1j0g s TYR 25 CO 0.54 0.05 0.71 -1.59 -1.52 0.00 0.00 175.55 173.73 1j0g s LYS 26 N -2.27 0.70 -0.21 -3.49 0.00 -1.05 -5.03 119.74 108.39 1j0g s LYS 26 Ca 0.02 1.19 -0.09 0.00 0.00 0.00 0.00 55.97 57.09 1j0g s LYS 26 Cb -0.07 0.15 -0.04 0.00 0.00 0.00 0.00 37.83 37.87 1j0g s LYS 26 CO 0.02 -0.14 0.10 0.14 0.00 0.00 0.00 175.35 175.47 1j0g s VAL 27 N 1.57 5.01 -0.31 1.79 -7.23 -1.26 -3.00 120.40 116.98 1j0g s VAL 27 Ca -0.10 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1j0g s VAL 27 Cb -0.05 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1j0g s VAL 27 CO -0.19 0.41 0.19 -0.76 -0.31 0.00 0.00 175.10 174.43 1j0g s LEU 28 N 0.73 4.19 -0.24 1.32 1.43 -1.05 -4.86 118.68 120.20 1j0g s LEU 28 Ca 0.05 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1j0g s LEU 28 Cb -0.13 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1j0g s LEU 28 CO 0.02 -0.17 0.39 -0.94 0.23 0.00 0.00 176.35 175.88 1j0g s SER 29 N 1.68 6.35 0.09 2.29 1.04 -1.26 -2.40 113.70 121.49 1j0g s SER 29 Ca 0.06 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.74 1j0g s SER 29 Cb -0.17 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1j0g s SER 29 CO 0.09 -0.14 0.38 0.68 0.98 0.00 0.00 173.24 175.23 1j0g s VAL 30 N 1.72 0.07 -0.08 5.02 -7.23 -1.09 -4.98 120.40 113.84 1j0g s VAL 30 Ca 0.17 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 1j0g s VAL 30 Cb -0.15 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1j0g s VAL 30 CO 0.09 -0.33 1.24 -2.16 -0.31 0.00 0.00 175.10 173.63 1j0g s PRO 31 N -3.36 4.31 0.29 4.82 0.04 -1.26 -0.91 135.00 138.93 1j0g s PRO 31 Ca 0.00 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.76 1j0g s PRO 31 Cb 0.01 -3.62 0.72 0.00 0.04 0.00 0.00 34.50 31.66 1j0g s PRO 31 CO -0.09 -0.53 1.44 -0.85 0.04 0.00 0.00 177.00 177.01 1j0g n GLU 32 N 5.63 -0.07 -0.42 4.56 0.28 -1.21 0.20 120.64 129.61 1j0g n GLU 32 Ca 0.12 1.38 0.37 0.00 -0.16 0.00 0.00 57.16 58.87 1j0g n GLU 32 Cb 0.46 -2.20 0.65 0.00 1.43 0.00 0.00 31.44 31.78 1j0g n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1j0g n SER 33 N -5.35 0.27 -4.77 -1.84 3.41 -1.26 -1.97 113.62 102.11 1j0g n SER 33 Ca 0.22 1.50 -0.37 0.00 -0.26 0.00 0.00 58.87 59.96 1j0g n SER 33 Cb 0.73 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1j0g n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j0g s THR 34 N -5.36 3.18 0.63 6.66 2.01 0.54 -4.62 115.64 118.68 1j0g s THR 34 Ca -0.08 0.91 -0.14 0.00 0.31 0.00 0.00 61.69 62.69 1j0g s THR 34 Cb 0.32 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1j0g s THR 34 CO 0.81 0.01 1.05 -2.16 -0.69 0.00 0.00 174.62 173.64 1j0g s PRO 35 N -2.59 3.20 0.08 4.92 0.04 -1.26 0.13 135.00 139.52 1j0g s PRO 35 Ca 0.62 1.07 0.27 0.00 0.04 0.00 0.00 61.00 63.00 1j0g s PRO 35 Cb -0.28 -2.02 0.92 0.00 0.04 0.00 0.00 34.50 33.15 1j0g s PRO 35 CO 0.35 -0.90 1.76 0.34 0.04 0.00 0.00 177.00 178.59 1j0g n PHE 36 N -2.49 0.38 0.02 0.56 -0.00 -1.26 -3.49 117.46 111.18 1j0g n PHE 36 Ca 0.08 0.11 0.03 0.00 -0.00 0.00 0.00 57.45 57.67 1j0g n PHE 36 Cb 0.53 -0.64 0.40 0.00 -0.00 0.00 0.00 39.48 39.77 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 1.13 0.12 -2.13 1.03 -1.90 -1.90 112.91 109.26 1j0g h THR 37 Ca 0.00 -0.38 -0.01 0.00 -0.01 0.00 0.00 66.41 66.01 1j0g h THR 37 Cb 0.61 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1j0g h THR 37 CO 0.00 0.15 -0.06 0.00 -0.01 0.00 0.00 175.52 175.60 1j0g h ALA 38 N 1.68 -0.46 -0.80 0.00 0.00 -1.97 -3.21 119.26 114.51 1j0g h ALA 38 Ca 0.13 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.24 1j0g h ALA 38 Cb 0.07 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1j0g h ALA 38 CO -0.02 -0.44 0.08 1.55 0.00 0.00 0.00 179.25 180.42 1j0g n VAL 39 N -2.91 -0.33 -0.06 0.00 3.14 -1.20 0.41 118.33 117.39 1j0g n VAL 39 Ca -0.02 1.73 -0.05 0.00 -2.96 0.00 0.00 64.34 63.05 1j0g n VAL 39 Cb 0.06 -2.57 -0.03 0.00 -1.06 0.00 0.00 33.84 30.24 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 -0.63 0.32 6.55 6.46 -1.38 1.49 115.31 128.11 1j0g h LEU 40 Ca 0.51 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.35 1j0g h LEU 40 Cb 1.12 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1j0g h LEU 40 CO -0.73 -0.13 -0.21 0.11 -0.62 0.00 0.00 178.44 176.86 1j0g h LYS 41 N -0.12 -0.50 -0.88 1.25 1.57 -0.04 -2.49 116.57 115.36 1j0g h LYS 41 Ca 0.03 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.06 1j0g h LYS 41 Cb 0.19 0.11 -0.16 0.00 0.08 0.00 0.00 32.23 32.46 1j0g h LYS 41 CO -0.21 -0.33 0.04 0.35 -0.57 0.00 0.00 179.45 178.73 1j0g h PHE 42 N -0.51 -0.01 -0.52 -1.35 3.04 0.08 0.47 116.94 118.13 1j0g h PHE 42 Ca -0.03 0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.09 1j0g h PHE 42 Cb 0.43 0.14 -0.10 0.00 2.56 0.00 0.00 35.95 38.99 1j0g h PHE 42 CO -0.10 -0.32 -0.16 0.00 -2.02 0.00 0.00 178.31 175.71 1j0g h ALA 43 N 1.84 0.29 -0.21 2.41 0.00 0.25 0.77 119.26 124.62 1j0g h ALA 43 Ca 0.51 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.66 1j0g h ALA 43 Cb 0.98 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1j0g h ALA 43 CO -0.78 -0.47 -0.54 0.00 0.00 0.00 0.00 179.25 177.46 1j0g h ALA 44 N 1.45 -0.83 -0.92 0.00 0.00 0.05 0.40 119.26 119.40 1j0g h ALA 44 Ca 0.25 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.33 1j0g h ALA 44 Cb 0.41 1.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1j0g h ALA 44 CO -0.55 -1.07 0.61 0.93 0.00 0.00 0.00 179.25 179.17 1j0g h GLU 45 N -0.52 0.40 -0.02 0.00 5.08 -0.92 0.82 114.58 119.41 1j0g h GLU 45 Ca 0.05 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1j0g h GLU 45 Cb 0.66 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1j0g h GLU 45 CO -0.48 0.27 -0.27 0.93 -1.00 0.00 0.00 179.01 178.45 1j0g h GLU 46 N 0.41 0.04 -0.01 2.33 4.39 0.20 -1.84 114.58 120.10 1j0g h GLU 46 Ca 0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1j0g h GLU 46 Cb 1.20 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1j0g h GLU 46 CO -0.19 0.31 -0.43 1.19 -1.16 0.00 0.00 179.01 178.74 1j0g n PHE 47 N -4.20 0.00 -2.37 4.33 3.72 0.25 -4.96 117.46 114.22 1j0g n PHE 47 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1j0g n PHE 47 Cb 0.33 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.49 -1.56 -4.21 -1.08 5.02 0.11 -5.07 118.16 110.88 1j0g n LYS 48 Ca 0.10 0.20 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1j0g n LYS 48 Cb 0.40 -3.28 -0.10 0.00 -0.02 0.00 0.00 35.03 32.03 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j0g s VAL 49 N -3.08 0.48 0.24 -0.18 -7.23 -0.42 -4.98 120.40 105.23 1j0g s VAL 49 Ca 0.01 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 1j0g s VAL 49 Cb -0.01 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1j0g s VAL 49 CO 0.17 -0.48 1.10 -2.16 -0.31 0.00 0.00 175.10 173.41 1j0g s PRO 50 N -3.96 4.63 -0.44 4.82 0.04 -1.26 -3.42 135.00 135.41 1j0g s PRO 50 Ca 0.24 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 1j0g s PRO 50 Cb 0.07 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.41 1j0g s PRO 50 CO 0.03 0.17 2.84 0.00 0.04 0.00 0.00 177.00 180.08 1j0g n ALA 51 N 1.67 6.47 0.00 8.56 0.00 -1.26 -3.86 120.51 132.08 1j0g n ALA 51 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1j0g n ALA 51 Cb 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 1.06 3.00 -1.47 0.00 0.00 -1.26 -4.85 120.51 116.99 1j0g n ALA 52 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.60 1j0g n ALA 52 Cb 0.58 0.11 0.04 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.63 3.45 -4.11 0.00 -2.24 -1.25 -4.80 114.28 102.70 1j0g n THR 53 Ca 0.00 -3.17 -0.13 0.00 -2.27 0.00 0.00 64.05 58.48 1j0g n THR 53 Cb 0.11 -1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 66.96 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 -0.95 1.05 -0.24 3.42 0.01 -1.26 -1.11 113.70 114.61 1j0g s SER 54 Ca 0.55 -0.71 -0.15 0.00 1.31 0.00 0.00 55.95 56.94 1j0g s SER 54 Cb 0.43 0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.77 1j0g s SER 54 CO -0.17 -0.28 0.60 0.00 0.41 0.00 0.00 173.24 173.81 1j0g s ALA 55 N -2.12 -1.60 -0.25 1.44 0.00 0.17 -4.44 121.76 114.96 1j0g s ALA 55 Ca -0.02 2.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.92 1j0g s ALA 55 Cb -0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1j0g s ALA 55 CO -0.01 -0.33 0.13 0.42 0.00 0.00 0.00 175.76 175.97 1j0g s ILE 56 N 1.33 4.92 0.39 0.00 1.01 -1.26 -0.43 121.20 127.17 1j0g s ILE 56 Ca -0.08 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1j0g s ILE 56 Cb -0.06 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 1j0g s ILE 56 CO -0.14 0.32 0.00 0.27 0.00 0.00 0.00 174.94 175.39 1j0g s ILE 57 N 1.47 1.94 0.00 2.92 -4.36 -0.95 -3.86 121.20 118.35 1j0g s ILE 57 Ca 0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1j0g s ILE 57 Cb -0.15 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1j0g s ILE 57 CO 0.07 -0.03 0.00 0.35 0.24 0.00 0.00 174.94 175.57 1j0g n THR 58 N -0.92 0.00 -0.11 8.37 -2.24 -0.31 -2.58 114.28 116.50 1j0g n THR 58 Ca -0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1j0g n THR 58 Cb 0.67 -1.72 0.24 0.00 -2.10 0.00 0.00 70.33 67.41 1j0g n THR 58 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1j0g n ASN 59 N -2.18 3.80 -1.83 3.42 3.02 -1.26 -3.74 115.26 116.48 1j0g n ASN 59 Ca 0.00 -2.53 -0.03 0.00 -0.03 0.00 0.00 54.58 51.98 1j0g n ASN 59 Cb 0.00 -0.60 0.07 0.00 -0.61 0.00 0.00 39.78 38.64 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j0g n ASP 60 N 0.41 2.23 -4.13 6.41 -0.08 -1.26 -4.99 116.55 115.13 1j0g n ASP 60 Ca 0.17 -2.81 -0.43 0.00 -1.51 0.00 0.00 54.79 50.21 1j0g n ASP 60 Cb 0.80 -0.41 -0.01 0.00 2.34 0.00 0.00 41.12 43.85 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j0g n GLY 61 N -0.44 -0.67 2.85 0.27 0.00 -1.25 -4.95 105.19 101.01 1j0g n GLY 61 Ca 0.18 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.72 0.04 0.06 -0.61 -1.09 -1.26 -4.98 121.20 109.64 1j0g s ILE 62 Ca 0.38 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.82 1j0g s ILE 62 Cb -0.21 -0.08 0.02 0.00 -1.58 0.00 0.00 42.46 40.61 1j0g s ILE 62 CO 0.98 0.04 0.05 0.61 -1.23 0.00 0.00 174.94 175.39 1j0g n GLY 63 N 3.37 -2.58 3.08 6.18 0.00 -1.26 -1.16 105.19 112.82 1j0g n GLY 63 Ca -0.16 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.09 0.85 -0.24 -0.61 1.01 -1.25 -4.62 121.20 115.25 1j0g s ILE 64 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1j0g s ILE 64 Cb -0.00 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.74 1j0g s ILE 64 CO 0.03 0.01 -0.12 0.21 0.00 0.00 0.00 174.94 175.07 1j0g s ASN 65 N -0.86 4.08 -0.21 3.58 2.47 -1.26 -5.00 114.94 117.74 1j0g s ASN 65 Ca 0.00 -1.21 -0.05 0.00 0.42 0.00 0.00 52.86 52.03 1j0g s ASN 65 Cb -0.06 -1.48 -0.18 0.00 -1.45 0.00 0.00 41.25 38.07 1j0g s ASN 65 CO 0.01 -0.16 2.78 -0.81 -3.72 0.00 0.00 177.10 175.20 1j0g n PRO 66 N 4.50 1.72 0.09 0.43 -0.04 -1.26 -4.13 135.00 136.31 1j0g n PRO 66 Ca -0.15 -0.93 0.12 0.00 -0.04 0.00 0.00 63.50 62.50 1j0g n PRO 66 Cb 0.44 -2.00 0.23 0.00 -0.04 0.00 0.00 33.50 32.13 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 4.10 0.73 -4.18 0.55 0.00 -2.01 -3.47 119.26 114.99 1j0g h ALA 67 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 1j0g h ALA 67 Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1j0g h ALA 67 CO 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.55 1j0g n GLN 68 N -2.27 0.77 -1.98 0.00 0.00 -1.26 -5.14 117.38 107.50 1j0g n GLN 68 Ca 0.04 -1.65 -0.33 0.00 0.00 0.00 0.00 57.00 55.06 1j0g n GLN 68 Cb 0.45 0.90 0.02 0.00 0.00 0.00 0.00 30.24 31.61 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 -2.27 3.64 0.16 -0.39 -4.23 -1.26 -4.33 115.64 106.95 1j0g s THR 69 Ca 0.10 0.78 -0.23 0.00 -1.18 0.00 0.00 61.69 61.16 1j0g s THR 69 Cb 0.00 -3.30 0.05 0.00 1.34 0.00 0.00 72.50 70.59 1j0g s THR 69 CO 0.07 -0.45 1.60 0.00 -0.54 0.00 0.00 174.62 175.30 1j0g h ALA 70 N 0.37 -0.19 -0.09 3.99 0.00 0.17 1.03 119.26 124.53 1j0g h ALA 70 Ca -0.47 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1j0g h ALA 70 Cb 1.23 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1j0g h ALA 70 CO 0.57 -0.72 0.32 0.78 0.00 0.00 0.00 179.25 180.19 1j0g h GLY 71 N -0.27 0.00 0.46 0.00 0.00 -1.71 1.64 103.07 103.18 1j0g h GLY 71 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1j0g h GLY 71 CO -0.49 0.00 -1.49 -2.01 0.00 0.00 0.00 176.54 172.55 1j0g n ASN 72 N -3.13 0.42 -0.06 0.19 2.85 0.29 -3.40 115.26 112.42 1j0g n ASN 72 Ca 0.00 0.10 -0.22 0.00 -0.11 0.00 0.00 54.58 54.35 1j0g n ASN 72 Cb 0.40 1.24 -0.13 0.00 1.24 0.00 0.00 39.78 42.53 1j0g n ASN 72 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1j0g h VAL 73 N 0.00 0.86 0.00 3.44 2.07 0.73 -3.00 116.25 120.35 1j0g h VAL 73 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1j0g h VAL 73 Cb 0.97 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1j0g h VAL 73 CO 0.00 0.54 0.00 2.22 0.02 0.00 0.00 177.57 180.35 1j0g n PHE 74 N -4.10 0.12 -0.06 1.57 -1.74 0.47 0.67 117.46 114.39 1j0g n PHE 74 Ca -0.31 0.05 -0.22 0.00 -0.56 0.00 0.00 57.45 56.41 1j0g n PHE 74 Cb 0.81 -0.58 -0.13 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 -1.61 2.33 0.08 5.98 7.94 -1.22 0.09 117.00 130.59 1j0g n LEU 75 Ca 0.03 0.27 -0.06 0.00 -1.11 0.00 0.00 56.01 55.14 1j0g n LEU 75 Cb 0.18 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 1j0g n LEU 75 CO 0.15 0.63 0.23 0.07 -1.11 0.00 0.00 177.39 177.35 1j0g h LYS 76 N -0.41 0.02 0.04 1.96 2.10 -1.35 -3.33 116.57 115.59 1j0g h LYS 76 Ca -0.43 -0.02 -0.38 0.00 -2.00 0.00 0.00 60.65 57.81 1j0g h LYS 76 Cb 1.72 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 33.01 1j0g h LYS 76 CO -0.08 0.91 -2.29 0.72 -2.00 0.00 0.00 179.45 176.72 1j0g n HIS 77 N -3.48 0.42 0.00 0.07 8.25 0.21 -5.08 115.22 115.61 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 0.86 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 2.04 1.48 0.12 -1.41 0.00 0.11 -4.77 105.19 102.76 1j0g n GLY 78 Ca -0.42 -2.23 -0.17 0.00 0.00 0.00 0.00 46.02 43.20 1j0g n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j0g n SER 79 N 0.00 1.62 -4.55 1.61 3.41 -1.13 -4.34 113.62 110.23 1j0g n SER 79 Ca 0.00 0.17 -0.43 0.00 -0.26 0.00 0.00 58.87 58.35 1j0g n SER 79 Cb 0.00 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 1j0g n SER 79 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1j0g s GLU 80 N -2.55 3.46 0.20 4.33 2.02 -1.26 -0.50 118.70 124.40 1j0g s GLU 80 Ca -0.20 0.03 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1j0g s GLU 80 Cb 0.07 -3.98 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 1j0g s GLU 80 CO 0.76 -1.39 0.05 -0.51 0.02 0.00 0.00 175.26 174.18 1j0g s LEU 81 N 4.01 1.87 -0.04 1.80 1.43 -0.74 -4.55 118.68 122.47 1j0g s LEU 81 Ca 0.36 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 1j0g s LEU 81 Cb -0.11 0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 1j0g s LEU 81 CO 0.24 -0.65 -0.23 -0.13 0.23 0.00 0.00 176.35 175.80 1j0g s ARG 82 N -3.98 2.13 -0.36 1.70 0.52 -1.06 -3.40 118.95 114.49 1j0g s ARG 82 Ca 0.29 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 1j0g s ARG 82 Cb 0.07 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.62 1j0g s ARG 82 CO 0.07 0.42 0.37 -1.50 0.02 0.00 0.00 175.30 174.69 1j0g s ILE 83 N -0.32 5.16 0.18 1.52 2.07 -1.25 -2.23 121.20 126.33 1j0g s ILE 83 Ca 0.03 -0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.25 1j0g s ILE 83 Cb -0.11 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 1j0g s ILE 83 CO 0.01 -0.18 -0.07 0.27 -1.91 0.00 0.00 174.94 173.06 1j0g s ILE 84 N 2.01 3.33 -0.18 2.00 -5.25 0.43 -4.02 121.20 119.53 1j0g s ILE 84 Ca 0.11 -1.60 -0.29 0.00 -0.99 0.00 0.00 60.65 57.88 1j0g s ILE 84 Cb -0.17 -2.66 -0.01 0.00 2.95 0.00 0.00 42.46 42.57 1j0g s ILE 84 CO 0.12 -0.12 1.28 -2.16 -1.79 0.00 0.00 174.94 172.28 1j0g s PRO 85 N -2.88 4.18 -0.01 0.37 0.04 -1.26 0.46 135.00 135.90 1j0g s PRO 85 Ca 0.26 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 1j0g s PRO 85 Cb -0.09 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 1j0g s PRO 85 CO 0.16 -0.78 0.30 0.50 0.04 0.00 0.00 177.00 177.22 1j0g s ARG 86 N 3.63 3.67 -0.29 4.56 3.00 -0.27 -4.86 118.95 128.39 1j0g s ARG 86 Ca 0.56 0.09 0.02 0.00 -1.00 0.00 0.00 55.73 55.39 1j0g s ARG 86 Cb -0.21 -3.13 0.18 0.00 0.00 0.00 0.00 34.95 31.79 1j0g s ARG 86 CO 0.16 0.68 0.53 0.34 0.00 0.00 0.00 175.30 177.01 1j0g s ASP 87 N -1.38 -0.94 -0.35 -2.12 -1.08 -1.26 -4.14 116.67 105.40 1j0g s ASP 87 Ca 0.24 0.29 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 1j0g s ASP 87 Cb -0.14 1.78 0.45 0.00 -1.46 0.00 0.00 42.92 43.55 1j0g s ASP 87 CO 0.13 -0.30 0.99 -2.11 0.52 0.00 0.00 175.17 174.40 1j0g n ARG 88 N 5.40 1.73 -3.93 4.34 -4.01 -1.26 -5.00 116.66 113.93 1j0g n ARG 88 Ca 0.01 -3.57 -0.30 0.00 -1.04 0.00 0.00 57.85 52.95 1j0g n ARG 88 Cb 0.52 -1.50 -0.15 0.00 -3.04 0.00 0.00 32.46 28.29 1j0g n ARG 88 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1j0g s VAL 89 N -3.74 2.08 0.00 8.89 1.01 -1.26 -4.96 120.40 122.42 1j0g s VAL 89 Ca 0.32 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1j0g s VAL 89 Cb 0.44 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1j0g s VAL 89 CO -0.02 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1j0g n GLY 90 N 3.93 1.26 3.53 4.51 0.00 -1.26 -5.06 105.19 112.11 1j0g n GLY 90 Ca 0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1j0g n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0g s SER 91 N 1.38 6.19 0.00 1.61 0.15 -1.26 -5.35 113.70 116.41 1j0g s SER 91 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1j0g s SER 91 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1j0g s SER 91 CO 0.00 -1.71 0.00 0.00 1.20 0.00 0.00 173.24 172.73