#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 5.29 -0.10 1.61 0.01 -1.26 -4.82 113.70 114.44 1j0g s SER 2 Ca 0.00 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 1j0g s SER 2 Cb 0.00 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1j0g s SER 2 CO 0.00 -0.28 0.11 -0.62 0.41 0.00 0.00 173.24 172.86 1j0g n GLU 3 N -1.31 -0.74 -3.84 12.44 -0.58 -1.26 -5.00 120.64 120.35 1j0g n GLU 3 Ca -0.03 1.01 -0.12 0.00 -0.42 0.00 0.00 57.16 57.60 1j0g n GLU 3 Cb 0.59 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.88 1j0g n GLU 3 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1j0g s GLY 4 N -1.13 -0.06 0.14 0.62 0.00 -1.26 -5.16 107.32 100.47 1j0g s GLY 4 Ca 0.06 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.87 1j0g s GLY 4 CO 0.20 0.16 0.38 0.00 0.00 0.00 0.00 173.10 173.83 1j0g s ALA 5 N -0.36 -0.71 -0.97 3.20 0.00 -1.26 -5.07 121.76 116.58 1j0g s ALA 5 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1j0g s ALA 5 Cb -0.03 0.72 0.32 0.00 0.00 0.00 0.00 23.12 24.13 1j0g s ALA 5 CO 0.01 -0.66 1.59 0.00 0.00 0.00 0.00 175.76 176.69 1j0g n ALA 6 N -0.23 5.60 -3.94 0.00 0.00 -1.26 -4.95 120.51 115.73 1j0g n ALA 6 Ca -0.13 -4.68 -0.31 0.00 0.00 0.00 0.00 53.44 48.32 1j0g n ALA 6 Cb 0.63 -2.00 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 1j0g n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0g s THR 7 N -3.87 1.73 -0.57 0.00 -4.23 -1.26 -5.07 115.64 102.38 1j0g s THR 7 Ca 0.38 -0.75 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 1j0g s THR 7 Cb 0.16 -1.59 0.15 0.00 1.34 0.00 0.00 72.50 72.56 1j0g s THR 7 CO -0.06 0.49 0.36 -0.32 -0.54 0.00 0.00 174.62 174.55 1j0g s MET 8 N 1.27 1.92 -0.45 3.99 1.75 -1.26 -5.01 119.30 121.52 1j0g s MET 8 Ca 0.02 -2.74 0.02 0.00 -1.25 0.00 0.00 55.69 51.73 1j0g s MET 8 Cb -0.14 -2.95 0.14 0.00 2.84 0.00 0.00 34.83 34.72 1j0g s MET 8 CO -0.09 -1.22 0.26 0.45 -0.65 0.00 0.00 175.02 173.77 1j0g s SER 9 N -0.61 3.51 0.33 1.11 0.15 -1.26 -5.10 113.70 111.83 1j0g s SER 9 Ca 0.22 -2.71 0.03 0.00 0.70 0.00 0.00 55.95 54.19 1j0g s SER 9 Cb -0.13 -0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 63.14 1j0g s SER 9 CO -0.09 -0.25 0.07 -0.54 1.20 0.00 0.00 173.24 173.63 1j0g s LYS 10 N 0.26 1.66 -0.10 5.44 1.02 -1.26 -2.76 119.74 123.99 1j0g s LYS 10 Ca 0.19 -1.93 -0.10 0.00 0.02 0.00 0.00 55.97 54.15 1j0g s LYS 10 Cb -0.21 -0.74 0.03 0.00 -0.52 0.00 0.00 37.83 36.39 1j0g s LYS 10 CO -0.02 -0.25 0.29 0.14 -0.92 0.00 0.00 175.35 174.58 1j0g s VAL 11 N -3.36 0.00 -0.18 3.17 -7.23 -0.22 -4.79 120.40 107.80 1j0g s VAL 11 Ca 0.35 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1j0g s VAL 11 Cb 0.08 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.59 1j0g s VAL 11 CO 0.15 -0.02 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.90 1j0g s SER 12 N 0.08 4.16 -0.32 4.85 1.04 -1.26 -2.40 113.70 119.86 1j0g s SER 12 Ca -0.01 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.91 1j0g s SER 12 Cb -0.02 -1.68 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 1j0g s SER 12 CO 0.01 0.07 0.38 -0.36 0.98 0.00 0.00 173.24 174.31 1j0g s PHE 13 N 0.91 3.22 -0.73 5.02 0.08 -0.99 -4.80 117.98 120.70 1j0g s PHE 13 Ca -0.02 0.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.00 1j0g s PHE 13 Cb -0.15 -2.66 0.12 0.00 -0.57 0.00 0.00 43.02 39.77 1j0g s PHE 13 CO 0.00 -0.36 0.87 0.21 -0.10 0.00 0.00 175.22 175.84 1j0g s LYS 14 N 2.07 3.28 0.17 0.44 2.20 0.32 -2.92 119.74 125.31 1j0g s LYS 14 Ca 0.13 -1.52 0.07 0.00 -0.36 0.00 0.00 55.97 54.29 1j0g s LYS 14 Cb -0.16 -4.46 -0.04 0.00 -1.51 0.00 0.00 37.83 31.65 1j0g s LYS 14 CO 0.11 -1.62 -0.00 0.42 -0.36 0.00 0.00 175.35 173.90 1j0g s ILE 15 N 2.56 3.72 -0.17 5.43 1.01 -1.24 -3.09 121.20 129.43 1j0g s ILE 15 Ca 0.20 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 1j0g s ILE 15 Cb -0.16 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.49 1j0g s ILE 15 CO 0.00 -0.11 0.02 -0.89 0.00 0.00 0.00 174.94 173.96 1j0g s THR 16 N -1.73 0.59 0.30 2.92 2.01 -1.22 -3.03 115.64 115.49 1j0g s THR 16 Ca 0.27 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 1j0g s THR 16 Cb -0.09 -0.98 -0.11 0.00 0.01 0.00 0.00 72.50 71.33 1j0g s THR 16 CO 0.19 -0.07 1.57 -0.22 -0.69 0.00 0.00 174.62 175.40 1j0g s LEU 17 N 1.84 4.35 -0.33 4.42 2.96 -0.89 -4.20 118.68 126.83 1j0g s LEU 17 Ca 0.00 2.94 0.03 0.00 -0.22 0.00 0.00 54.13 56.88 1j0g s LEU 17 Cb -0.16 -3.64 0.10 0.00 0.50 0.00 0.00 46.19 42.99 1j0g s LEU 17 CO -0.07 -0.89 0.05 0.42 -1.32 0.00 0.00 176.35 174.54 1j0g s THR 18 N -0.12 1.99 0.00 3.68 -4.23 -1.26 -4.19 115.64 111.51 1j0g s THR 18 Ca 0.62 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1j0g s THR 18 Cb -0.47 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1j0g s THR 18 CO 0.49 -0.59 0.00 -1.54 -0.54 0.00 0.00 174.62 172.45 1j0g n SER 19 N 4.38 0.00 -4.89 3.99 3.41 -1.26 -4.92 113.62 114.33 1j0g n SER 19 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 1j0g n SER 19 Cb 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1j0g n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j0g s ASP 20 N 0.00 6.54 -0.67 4.04 2.15 -1.26 -4.96 116.67 122.50 1j0g s ASP 20 Ca 0.00 0.70 -0.06 0.00 0.43 0.00 0.00 52.55 53.62 1j0g s ASP 20 Cb 0.00 -2.14 -0.13 0.00 -0.30 0.00 0.00 42.92 40.36 1j0g s ASP 20 CO 0.00 0.03 2.64 -0.81 -0.17 0.00 0.00 175.17 176.85 1j0g n PRO 21 N 0.09 2.20 0.00 4.34 -0.04 -1.26 -2.91 135.00 137.43 1j0g n PRO 21 Ca -0.02 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1j0g n PRO 21 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 3.35 0.00 -2.55 0.54 1.74 -1.26 -5.08 116.66 113.40 1j0g n ARG 22 Ca 0.47 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.50 1j0g n ARG 22 Cb 0.40 -0.09 0.03 0.00 -1.02 0.00 0.00 32.46 31.78 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1j0g n LEU 23 N -2.03 -4.62 -4.78 0.55 4.32 -1.14 -4.99 117.00 104.30 1j0g n LEU 23 Ca 0.00 -0.27 -0.36 0.00 -0.02 0.00 0.00 56.01 55.36 1j0g n LEU 23 Cb 0.00 -2.32 -0.04 0.00 -1.62 0.00 0.00 43.42 39.44 1j0g n LEU 23 CO 0.00 -0.27 0.73 -2.16 -1.22 0.00 0.00 177.39 174.47 1j0g s PRO 24 N -3.50 4.09 0.10 3.23 0.04 -1.26 -4.80 135.00 132.89 1j0g s PRO 24 Ca 0.17 1.49 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1j0g s PRO 24 Cb -0.02 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1j0g s PRO 24 CO 0.47 -0.21 -0.21 1.52 0.04 0.00 0.00 177.00 178.61 1j0g s TYR 25 N -1.71 1.81 -0.19 0.56 1.13 -1.26 -2.09 117.35 115.61 1j0g s TYR 25 Ca 0.60 -0.41 -0.13 0.00 -1.41 0.00 0.00 57.07 55.71 1j0g s TYR 25 Cb -0.21 -1.00 0.06 0.00 -1.10 0.00 0.00 41.96 39.71 1j0g s TYR 25 CO 0.26 0.21 0.47 -1.59 -2.51 0.00 0.00 175.55 172.39 1j0g s LYS 26 N -1.88 0.49 -0.22 -3.49 0.00 -1.17 -5.04 119.74 108.42 1j0g s LYS 26 Ca 0.07 0.79 -0.12 0.00 0.00 0.00 0.00 55.97 56.71 1j0g s LYS 26 Cb -0.10 0.11 -0.05 0.00 0.00 0.00 0.00 37.83 37.79 1j0g s LYS 26 CO 0.04 -0.12 0.22 0.14 0.00 0.00 0.00 175.35 175.62 1j0g s VAL 27 N 0.99 5.33 -0.25 1.79 -7.23 -1.26 -3.68 120.40 116.10 1j0g s VAL 27 Ca -0.06 0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1j0g s VAL 27 Cb -0.06 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 1j0g s VAL 27 CO -0.09 0.34 0.14 -0.22 -0.31 0.00 0.00 175.10 174.97 1j0g s LEU 28 N 0.97 3.93 -0.23 1.32 0.20 -1.15 -4.86 118.68 118.87 1j0g s LEU 28 Ca 0.11 0.01 -0.13 0.00 0.69 0.00 0.00 54.13 54.81 1j0g s LEU 28 Cb -0.13 -2.06 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1j0g s LEU 28 CO 0.04 0.02 0.26 -0.94 -0.29 0.00 0.00 176.35 175.44 1j0g s SER 29 N 1.31 6.24 0.10 3.68 1.04 -1.26 -2.34 113.70 122.48 1j0g s SER 29 Ca 0.07 0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 1j0g s SER 29 Cb -0.14 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.84 1j0g s SER 29 CO 0.06 -0.00 0.36 0.68 0.98 0.00 0.00 173.24 175.32 1j0g s VAL 30 N 1.20 0.08 0.15 5.02 -7.23 -1.01 -4.98 120.40 113.63 1j0g s VAL 30 Ca 0.12 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1j0g s VAL 30 Cb -0.14 -1.15 -0.07 0.00 0.56 0.00 0.00 36.38 35.58 1j0g s VAL 30 CO 0.06 -0.37 1.13 -2.16 -0.31 0.00 0.00 175.10 173.45 1j0g s PRO 31 N -3.54 4.55 0.20 4.82 0.04 -1.26 -1.05 135.00 138.75 1j0g s PRO 31 Ca 0.02 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 1j0g s PRO 31 Cb 0.02 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.38 1j0g s PRO 31 CO -0.10 -0.02 1.55 0.93 0.04 0.00 0.00 177.00 179.40 1j0g h GLU 32 N 5.49 -0.01 -0.50 4.56 5.08 -1.82 0.02 114.58 127.40 1j0g h GLU 32 Ca -0.44 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1j0g h GLU 32 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1j0g h GLU 32 CO 0.74 -0.01 -0.30 0.43 -1.00 0.00 0.00 179.01 178.88 1j0g n SER 33 N -5.38 -0.53 -4.21 1.42 7.64 -1.26 -1.25 113.62 110.04 1j0g n SER 33 Ca 0.07 1.19 -0.45 0.00 1.01 0.00 0.00 58.87 60.69 1j0g n SER 33 Cb 0.34 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1j0g n SER 33 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1j0g n THR 34 N -4.18 1.62 -1.72 0.44 -1.04 -0.01 -3.74 114.28 105.66 1j0g n THR 34 Ca 0.01 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 1j0g n THR 34 Cb 0.13 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.96 3.07 0.04 -2.82 0.04 -1.26 0.14 135.00 133.24 1j0g s PRO 35 Ca 0.61 1.02 0.27 0.00 0.04 0.00 0.00 61.00 62.93 1j0g s PRO 35 Cb -0.83 -2.01 0.82 0.00 0.04 0.00 0.00 34.50 32.53 1j0g s PRO 35 CO 0.55 -1.00 1.66 0.34 0.04 0.00 0.00 177.00 178.59 1j0g n PHE 36 N -2.80 0.19 0.00 0.56 -0.00 -1.26 -3.63 117.46 110.52 1j0g n PHE 36 Ca 0.08 0.05 0.02 0.00 -0.00 0.00 0.00 57.45 57.60 1j0g n PHE 36 Cb 0.53 -0.49 0.36 0.00 -0.00 0.00 0.00 39.48 39.88 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 1.15 0.14 -2.13 1.03 -1.92 -2.05 112.91 109.14 1j0g h THR 37 Ca 0.00 -0.50 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 1j0g h THR 37 Cb 0.56 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.38 1j0g h THR 37 CO 0.00 0.19 -0.07 0.00 -0.01 0.00 0.00 175.52 175.63 1j0g h ALA 38 N 1.63 -0.49 -0.78 0.00 0.00 -1.98 -3.24 119.26 114.40 1j0g h ALA 38 Ca 0.13 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.21 1j0g h ALA 38 Cb 0.14 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 1j0g h ALA 38 CO -0.01 -0.47 -0.00 1.55 0.00 0.00 0.00 179.25 180.32 1j0g n VAL 39 N -2.98 -0.33 -0.21 0.00 3.14 -1.20 0.91 118.33 117.65 1j0g n VAL 39 Ca -0.02 1.73 -0.09 0.00 -2.96 0.00 0.00 64.34 63.00 1j0g n VAL 39 Cb 0.07 -2.52 -0.08 0.00 -1.06 0.00 0.00 33.84 30.26 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 -1.53 0.55 6.55 5.85 -1.41 1.45 115.31 126.77 1j0g h LEU 40 Ca 0.47 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 59.38 1j0g h LEU 40 Cb 0.94 0.65 0.01 0.00 0.37 0.00 0.00 40.66 42.63 1j0g h LEU 40 CO -0.74 -0.24 -0.26 0.11 -0.34 0.00 0.00 178.44 176.96 1j0g h LYS 41 N -0.15 -0.71 -0.87 1.25 1.57 0.50 -3.05 116.57 115.12 1j0g h LYS 41 Ca 0.09 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1j0g h LYS 41 Cb 0.38 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 32.71 1j0g h LYS 41 CO -0.58 -0.44 -0.40 0.35 -0.57 0.00 0.00 179.45 177.81 1j0g h PHE 42 N -0.82 -1.15 -0.77 -1.35 3.04 0.10 0.20 116.94 116.19 1j0g h PHE 42 Ca -0.07 0.10 0.07 0.00 3.98 0.00 0.00 57.97 62.04 1j0g h PHE 42 Cb 0.60 0.63 -0.09 0.00 2.56 0.00 0.00 35.95 39.64 1j0g h PHE 42 CO -0.02 -0.40 -0.47 0.00 -2.02 0.00 0.00 178.31 175.40 1j0g h ALA 43 N 1.14 -0.46 -0.59 2.41 0.00 0.21 0.14 119.26 122.11 1j0g h ALA 43 Ca 0.29 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.34 1j0g h ALA 43 Cb 0.57 1.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 1j0g h ALA 43 CO -0.89 -0.79 -0.38 0.00 0.00 0.00 0.00 179.25 177.20 1j0g h ALA 44 N 0.17 -0.39 -1.10 0.00 0.00 -0.91 1.33 119.26 118.35 1j0g h ALA 44 Ca 0.12 0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.43 1j0g h ALA 44 Cb 0.34 1.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1j0g h ALA 44 CO -0.73 -0.65 0.68 0.93 0.00 0.00 0.00 179.25 179.48 1j0g h GLU 45 N -0.04 0.28 -0.38 0.00 5.08 -0.58 1.56 114.58 120.50 1j0g h GLU 45 Ca 0.09 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1j0g h GLU 45 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1j0g h GLU 45 CO -0.57 0.18 -0.21 0.93 -1.00 0.00 0.00 179.01 178.34 1j0g h GLU 46 N 0.29 0.74 -0.12 2.33 4.39 0.41 -2.36 114.58 120.25 1j0g h GLU 46 Ca 0.72 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1j0g h GLU 46 Cb 1.87 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1j0g h GLU 46 CO -0.46 0.89 0.00 1.19 -1.16 0.00 0.00 179.01 179.47 1j0g n PHE 47 N -4.12 0.15 -2.85 4.33 3.72 0.46 -4.96 117.46 114.18 1j0g n PHE 47 Ca 0.00 -0.07 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 1j0g n PHE 47 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.38 -1.20 -3.58 -1.08 4.76 0.28 -5.03 118.16 112.69 1j0g n LYS 48 Ca 0.17 1.31 -0.11 0.00 -2.87 0.00 0.00 58.31 56.82 1j0g n LYS 48 Cb 0.37 -5.18 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 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 -3.03 0.01 -0.14 -0.18 -7.23 -0.90 -4.97 120.40 103.96 1j0g s VAL 49 Ca 0.03 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 1j0g s VAL 49 Cb -0.00 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 1j0g s VAL 49 CO 0.64 -0.06 1.27 -2.16 -0.31 0.00 0.00 175.10 174.49 1j0g s PRO 50 N -3.81 4.25 0.06 4.82 0.04 -1.26 -3.57 135.00 135.52 1j0g s PRO 50 Ca 0.04 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1j0g s PRO 50 Cb -0.02 -3.74 -0.30 0.00 0.04 0.00 0.00 34.50 30.48 1j0g s PRO 50 CO -0.08 -0.67 1.08 0.00 0.04 0.00 0.00 177.00 177.38 1j0g h ALA 51 N 8.12 -0.02 -0.97 8.56 0.00 -1.93 -3.24 119.26 129.78 1j0g h ALA 51 Ca -0.28 -0.84 0.25 0.00 0.00 0.00 0.00 54.91 54.03 1j0g h ALA 51 Cb 1.12 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1j0g h ALA 51 CO 0.95 0.79 0.52 0.00 0.00 0.00 0.00 179.25 181.51 1j0g h ALA 52 N 0.35 1.69 -1.03 0.00 0.00 -1.94 0.40 119.26 118.73 1j0g h ALA 52 Ca -0.19 0.15 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 1j0g h ALA 52 Cb 2.03 0.08 -0.32 0.00 0.00 0.00 0.00 17.79 19.57 1j0g h ALA 52 CO 0.24 -0.33 0.46 0.25 0.00 0.00 0.00 179.25 179.87 1j0g n THR 53 N -4.96 3.28 -4.41 0.00 -2.24 -1.23 -4.90 114.28 99.83 1j0g n THR 53 Ca 0.26 -3.84 -0.21 0.00 -2.27 0.00 0.00 64.05 57.99 1j0g n THR 53 Cb 0.74 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.09 2.74 -0.25 3.42 1.04 0.14 -0.96 113.70 117.73 1j0g s SER 54 Ca 0.56 -1.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.64 1j0g s SER 54 Cb 0.46 -0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1j0g s SER 54 CO -0.16 -0.28 0.66 0.00 0.98 0.00 0.00 173.24 174.45 1j0g s ALA 55 N -2.98 -1.68 -0.20 5.32 0.00 0.40 -4.51 121.76 118.12 1j0g s ALA 55 Ca 0.28 1.98 -0.02 0.00 0.00 0.00 0.00 51.96 54.20 1j0g s ALA 55 Cb 0.02 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1j0g s ALA 55 CO 0.11 -0.33 -0.10 0.42 0.00 0.00 0.00 175.76 175.86 1j0g s ILE 56 N 0.64 2.96 0.41 0.00 1.01 -1.26 0.21 121.20 125.17 1j0g s ILE 56 Ca -0.02 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.06 1j0g s ILE 56 Cb -0.05 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1j0g s ILE 56 CO -0.04 0.47 0.09 0.27 0.00 0.00 0.00 174.94 175.73 1j0g s ILE 57 N 1.28 2.12 0.00 2.92 -4.36 -1.11 -3.61 121.20 118.44 1j0g s ILE 57 Ca 0.03 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1j0g s ILE 57 Cb -0.14 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1j0g s ILE 57 CO -0.05 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.48 1j0g n THR 58 N -1.10 0.00 -0.57 8.37 -2.24 0.17 -3.17 114.28 115.74 1j0g n THR 58 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1j0g n THR 58 Cb 0.66 -1.68 0.11 0.00 -2.10 0.00 0.00 70.33 67.32 1j0g n THR 58 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j0g n ASN 59 N -2.81 4.06 -1.49 3.42 0.23 -1.26 -3.71 115.26 113.68 1j0g n ASN 59 Ca 0.00 -3.11 0.00 0.00 -0.53 0.00 0.00 54.58 50.94 1j0g n ASN 59 Cb 0.00 -0.78 -0.00 0.00 -2.08 0.00 0.00 39.78 36.92 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1j0g n ASP 60 N -0.51 0.36 -3.91 0.53 2.03 -1.26 -5.00 116.55 108.78 1j0g n ASP 60 Ca 0.40 -2.01 -0.25 0.00 0.52 0.00 0.00 54.79 53.45 1j0g n ASP 60 Cb 1.17 -0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 41.46 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 0.19 -0.25 2.99 0.27 0.00 -1.24 -4.97 105.19 102.18 1j0g n GLY 61 Ca -0.05 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.86 0.74 0.61 -0.61 -1.09 -1.26 -4.96 121.20 110.76 1j0g s ILE 62 Ca 0.05 -0.34 -0.10 0.00 -2.23 0.00 0.00 60.65 58.03 1j0g s ILE 62 Cb -0.02 -0.66 0.15 0.00 -1.58 0.00 0.00 42.46 40.35 1j0g s ILE 62 CO 0.87 0.23 0.55 0.61 -1.23 0.00 0.00 174.94 175.97 1j0g n GLY 63 N 3.31 -2.58 3.14 6.18 0.00 -1.26 0.45 105.19 114.42 1j0g n GLY 63 Ca -0.18 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.00 0.98 -0.20 -0.61 1.01 -1.24 -4.58 121.20 114.56 1j0g s ILE 64 Ca 0.35 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1j0g s ILE 64 Cb -0.03 -0.96 0.05 0.00 0.01 0.00 0.00 42.46 41.53 1j0g s ILE 64 CO 0.27 -0.26 -0.07 0.21 0.00 0.00 0.00 174.94 175.10 1j0g s ASN 65 N -1.69 3.41 -0.18 3.58 2.47 -1.26 -5.01 114.94 116.26 1j0g s ASN 65 Ca -0.04 -0.94 -0.05 0.00 0.42 0.00 0.00 52.86 52.25 1j0g s ASN 65 Cb -0.10 -1.11 -0.18 0.00 -1.45 0.00 0.00 41.25 38.41 1j0g s ASN 65 CO 0.02 -0.20 2.79 -0.81 -3.72 0.00 0.00 177.10 175.18 1j0g n PRO 66 N 4.74 1.69 0.15 0.43 -0.04 -1.26 -4.18 135.00 136.53 1j0g n PRO 66 Ca -0.13 -0.90 0.05 0.00 -0.04 0.00 0.00 63.50 62.48 1j0g n PRO 66 Cb 0.46 -1.98 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.74 -1.61 0.55 0.00 -2.00 -3.46 119.26 117.53 1j0g h ALA 67 Ca 0.22 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1j0g h ALA 67 Cb 1.00 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1j0g h ALA 67 CO 0.49 0.49 -0.58 1.14 0.00 0.00 0.00 179.25 180.78 1j0g s GLN 68 N -3.02 1.88 0.67 0.00 0.00 -1.26 -5.12 119.66 112.80 1j0g s GLN 68 Ca 0.04 -2.09 -0.17 0.00 -0.00 0.00 0.00 55.36 53.15 1j0g s GLN 68 Cb 0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 33.01 31.83 1j0g s GLN 68 CO 0.73 -0.19 0.98 0.25 0.00 0.00 0.00 175.29 177.06 1j0g n THR 69 N -0.90 3.41 -0.27 3.63 -2.24 -1.26 -4.37 114.28 112.28 1j0g n THR 69 Ca -0.06 -0.44 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1j0g n THR 69 Cb 0.67 -1.14 0.23 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.11 1.17 -0.12 6.98 0.00 0.27 1.10 119.26 128.77 1j0g h ALA 70 Ca -0.48 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1j0g h ALA 70 Cb 1.35 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1j0g h ALA 70 CO 0.49 -0.27 0.14 0.78 0.00 0.00 0.00 179.25 180.39 1j0g h GLY 71 N 0.40 0.00 0.46 0.00 0.00 -1.48 1.61 103.07 104.07 1j0g h GLY 71 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1j0g h GLY 71 CO -0.47 0.00 -1.27 -2.01 0.00 0.00 0.00 176.54 172.79 1j0g n ASN 72 N -3.72 0.52 -0.06 0.19 2.85 0.34 -3.26 115.26 112.12 1j0g n ASN 72 Ca -0.00 -0.14 -0.22 0.00 -0.11 0.00 0.00 54.58 54.12 1j0g n ASN 72 Cb 0.25 1.07 -0.12 0.00 1.24 0.00 0.00 39.78 42.21 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 0.81 0.00 3.44 2.07 0.34 -2.72 116.25 120.19 1j0g h VAL 73 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1j0g h VAL 73 Cb 0.82 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1j0g h VAL 73 CO 0.00 0.53 0.00 2.22 0.02 0.00 0.00 177.57 180.34 1j0g n PHE 74 N -4.08 0.63 -0.10 1.57 -1.74 0.51 -0.31 117.46 113.93 1j0g n PHE 74 Ca -0.32 0.23 -0.18 0.00 -0.56 0.00 0.00 57.45 56.62 1j0g n PHE 74 Cb 0.82 -0.88 -0.09 0.00 1.52 0.00 0.00 39.48 40.86 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 -2.06 1.86 -0.22 5.98 7.94 -1.20 -0.23 117.00 129.07 1j0g n LEU 75 Ca 0.03 0.46 -0.08 0.00 -1.11 0.00 0.00 56.01 55.31 1j0g n LEU 75 Cb 0.25 -0.92 0.03 0.00 0.53 0.00 0.00 43.42 43.32 1j0g n LEU 75 CO 0.21 0.11 0.93 0.07 -1.11 0.00 0.00 177.39 177.60 1j0g h LYS 76 N -1.00 0.99 0.03 1.96 2.10 -1.46 -3.26 116.57 115.93 1j0g h LYS 76 Ca -0.30 -0.23 -0.23 0.00 -2.00 0.00 0.00 60.65 57.89 1j0g h LYS 76 Cb 1.14 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 1j0g h LYS 76 CO -0.18 0.89 -1.22 0.45 -2.00 0.00 0.00 179.45 177.39 1j0g h HIS 77 N 0.91 0.10 0.00 0.07 3.86 -0.86 -3.51 115.15 115.72 1j0g h HIS 77 Ca 0.20 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1j0g h HIS 77 Cb 0.34 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1j0g h HIS 77 CO 0.02 1.48 0.00 0.41 0.86 0.00 0.00 177.93 180.70 1j0g n GLY 78 N 1.54 2.37 0.47 2.45 0.00 0.69 -4.84 105.19 107.87 1j0g n GLY 78 Ca -0.29 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 43.77 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 1.70 -4.22 1.61 3.41 -0.98 -4.36 113.62 110.78 1j0g n SER 79 Ca 0.00 -1.35 -0.39 0.00 -0.26 0.00 0.00 58.87 56.87 1j0g n SER 79 Cb 0.00 0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.33 2.42 0.15 4.33 2.02 -1.26 0.12 118.70 124.15 1j0g s GLU 80 Ca 0.26 -1.55 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 1j0g s GLU 80 Cb 0.19 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1j0g s GLU 80 CO 0.47 -0.96 0.08 -0.51 0.02 0.00 0.00 175.26 174.36 1j0g s LEU 81 N 1.33 1.61 0.01 1.80 1.43 -1.18 -4.48 118.68 119.21 1j0g s LEU 81 Ca 0.04 -1.23 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 1j0g s LEU 81 Cb -0.23 0.35 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 1j0g s LEU 81 CO -0.00 -0.76 -0.22 -0.13 0.23 0.00 0.00 176.35 175.47 1j0g s ARG 82 N -4.07 1.62 -0.43 1.70 0.52 -1.19 -3.42 118.95 113.69 1j0g s ARG 82 Ca 0.27 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 1j0g s ARG 82 Cb 0.07 -1.66 0.02 0.00 0.52 0.00 0.00 34.95 33.90 1j0g s ARG 82 CO 0.04 0.44 0.47 -1.50 0.02 0.00 0.00 175.30 174.77 1j0g s ILE 83 N -0.66 5.05 0.20 1.52 2.07 -1.26 -2.75 121.20 125.37 1j0g s ILE 83 Ca 0.08 -0.31 0.06 0.00 -1.41 0.00 0.00 60.65 59.08 1j0g s ILE 83 Cb -0.09 -4.07 -0.04 0.00 0.13 0.00 0.00 42.46 38.39 1j0g s ILE 83 CO 0.01 -0.46 0.14 0.27 -1.91 0.00 0.00 174.94 172.98 1j0g s ILE 84 N 2.23 4.35 0.01 2.00 -5.25 0.13 -4.17 121.20 120.50 1j0g s ILE 84 Ca 0.13 -1.25 -0.30 0.00 -0.99 0.00 0.00 60.65 58.24 1j0g s ILE 84 Cb -0.17 -3.27 -0.04 0.00 2.95 0.00 0.00 42.46 41.93 1j0g s ILE 84 CO 0.14 -0.20 1.19 -2.16 -1.79 0.00 0.00 174.94 172.12 1j0g s PRO 85 N -3.35 4.41 -0.08 0.37 0.04 -1.26 -0.45 135.00 134.67 1j0g s PRO 85 Ca 0.31 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 1j0g s PRO 85 Cb -0.09 -3.45 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 1j0g s PRO 85 CO 0.23 -0.33 0.32 -0.09 0.04 0.00 0.00 177.00 177.18 1j0g h ARG 86 N 7.09 -0.16 -1.22 4.56 2.43 -1.28 -3.46 114.38 122.35 1j0g h ARG 86 Ca -0.38 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1j0g h ARG 86 Cb 1.19 0.04 -0.22 0.00 -0.42 0.00 0.00 29.97 30.56 1j0g h ARG 86 CO 0.84 0.01 -0.29 -0.51 -1.51 0.00 0.00 179.97 178.51 1j0g s ASP 87 N -5.43 -1.15 -0.54 -3.80 1.11 -1.25 -5.00 116.67 100.60 1j0g s ASP 87 Ca -0.05 0.86 0.05 0.00 0.18 0.00 0.00 52.55 53.59 1j0g s ASP 87 Cb 0.00 2.04 0.36 0.00 1.07 0.00 0.00 42.92 46.39 1j0g s ASP 87 CO 0.17 -0.26 0.99 0.54 1.18 0.00 0.00 175.17 177.79 1j0g n ARG 88 N 5.42 3.27 -3.26 8.23 1.74 -1.26 -4.74 116.66 126.06 1j0g n ARG 88 Ca -0.02 -4.75 -0.41 0.00 -0.77 0.00 0.00 57.85 51.89 1j0g n ARG 88 Cb 0.51 -2.23 -0.08 0.00 -1.02 0.00 0.00 32.46 29.63 1j0g n ARG 88 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1j0g s VAL 89 N -4.75 5.04 0.00 1.55 -7.23 -1.26 -4.98 120.40 108.77 1j0g s VAL 89 Ca 0.49 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1j0g s VAL 89 Cb 0.31 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1j0g s VAL 89 CO -0.15 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1j0g n GLY 90 N 4.83 2.78 3.66 2.32 0.00 -1.26 -5.08 105.19 112.44 1j0g n GLY 90 Ca -0.05 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 1.00 7.03 0.00 1.61 0.15 -1.26 -5.35 113.70 116.88 1j0g s SER 91 Ca 0.00 1.28 0.27 0.00 0.70 0.00 0.00 55.95 58.19 1j0g s SER 91 Cb 0.00 -2.50 0.74 0.00 -1.71 0.00 0.00 66.02 62.55 1j0g s SER 91 CO 0.00 -0.54 1.57 0.00 1.20 0.00 0.00 173.24 175.48