#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 2.03 0.06 1.61 0.15 -1.26 -4.68 113.70 111.61 1j0g s SER 2 Ca 0.00 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.31 1j0g s SER 2 Cb 0.00 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 1j0g s SER 2 CO 0.00 0.06 -0.05 -1.61 1.20 0.00 0.00 173.24 172.84 1j0g s GLU 3 N 0.59 0.65 0.10 5.44 2.02 -1.26 -5.16 118.70 121.08 1j0g s GLU 3 Ca -0.15 -1.13 -0.04 0.00 0.02 0.00 0.00 54.97 53.67 1j0g s GLU 3 Cb -0.16 -0.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.99 1j0g s GLU 3 CO 0.05 -0.05 0.33 0.20 0.02 0.00 0.00 175.26 175.81 1j0g s GLY 4 N -2.61 2.24 0.20 -1.39 0.00 -1.26 -4.95 107.32 99.55 1j0g s GLY 4 Ca 0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 1j0g s GLY 4 CO -0.05 -0.51 0.46 0.00 0.00 0.00 0.00 173.10 172.99 1j0g s ALA 5 N -1.56 -0.56 -0.41 3.20 0.00 -1.26 -5.10 121.76 116.07 1j0g s ALA 5 Ca 0.37 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1j0g s ALA 5 Cb -0.13 0.90 0.27 0.00 0.00 0.00 0.00 23.12 24.16 1j0g s ALA 5 CO 0.24 -0.78 0.64 0.00 0.00 0.00 0.00 175.76 175.86 1j0g n ALA 6 N -0.32 1.54 -3.23 0.00 0.00 -1.26 -5.10 120.51 112.14 1j0g n ALA 6 Ca -0.07 -2.96 -0.13 0.00 0.00 0.00 0.00 53.44 50.28 1j0g n ALA 6 Cb 0.62 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 1j0g n ALA 6 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j0g s THR 7 N -0.97 0.01 -0.59 0.00 -1.32 -1.26 -5.11 115.64 106.40 1j0g s THR 7 Ca 0.35 -0.05 -0.28 0.00 -1.21 0.00 0.00 61.69 60.49 1j0g s THR 7 Cb 0.21 -0.50 0.02 0.00 -1.51 0.00 0.00 72.50 70.73 1j0g s THR 7 CO -0.13 -0.03 1.32 -0.04 -2.21 0.00 0.00 174.62 173.54 1j0g s MET 8 N 0.01 3.36 -0.34 7.08 -1.94 -1.26 -4.87 119.30 121.35 1j0g s MET 8 Ca -0.02 0.31 -0.04 0.00 -1.71 0.00 0.00 55.69 54.24 1j0g s MET 8 Cb -0.03 -4.09 0.19 0.00 2.01 0.00 0.00 34.83 32.91 1j0g s MET 8 CO 0.01 -1.87 0.89 -1.12 -0.01 0.00 0.00 175.02 172.92 1j0g s SER 9 N 3.85 -0.79 0.34 3.03 0.01 -1.26 -5.15 113.70 113.73 1j0g s SER 9 Ca 0.47 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.59 1j0g s SER 9 Cb -0.09 1.16 -0.05 0.00 0.21 0.00 0.00 66.02 67.24 1j0g s SER 9 CO 0.24 -0.11 0.03 -0.54 0.41 0.00 0.00 173.24 173.28 1j0g s LYS 10 N 2.24 2.12 -0.00 12.44 1.02 -1.26 -2.24 119.74 134.06 1j0g s LYS 10 Ca 0.17 -1.73 0.01 0.00 0.02 0.00 0.00 55.97 54.44 1j0g s LYS 10 Cb -0.01 -1.96 -0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1j0g s LYS 10 CO -0.16 0.13 -0.03 0.14 -0.92 0.00 0.00 175.35 174.51 1j0g s VAL 11 N -2.51 0.21 -0.14 3.17 -7.23 0.25 -4.81 120.40 109.35 1j0g s VAL 11 Ca 0.35 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1j0g s VAL 11 Cb -0.00 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.72 1j0g s VAL 11 CO 0.20 0.06 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.10 1j0g s SER 12 N -0.02 5.01 -0.24 4.85 1.04 -1.26 -1.28 113.70 121.80 1j0g s SER 12 Ca 0.01 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1j0g s SER 12 Cb -0.02 -1.70 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 1j0g s SER 12 CO -0.00 0.23 0.04 -0.36 0.98 0.00 0.00 173.24 174.13 1j0g s PHE 13 N 0.00 3.06 -0.60 5.02 0.08 -0.86 -4.79 117.98 119.88 1j0g s PHE 13 Ca 0.02 -0.53 -0.19 0.00 0.12 0.00 0.00 56.93 56.35 1j0g s PHE 13 Cb -0.13 -2.19 0.10 0.00 -0.57 0.00 0.00 43.02 40.23 1j0g s PHE 13 CO 0.02 -0.38 0.74 0.21 -0.10 0.00 0.00 175.22 175.71 1j0g s LYS 14 N 1.51 3.06 0.01 0.44 2.20 -0.79 -2.50 119.74 123.68 1j0g s LYS 14 Ca 0.06 -1.27 0.05 0.00 -0.36 0.00 0.00 55.97 54.45 1j0g s LYS 14 Cb -0.15 -4.27 -0.03 0.00 -1.51 0.00 0.00 37.83 31.87 1j0g s LYS 14 CO 0.02 -1.58 -0.13 0.42 -0.36 0.00 0.00 175.35 173.72 1j0g s ILE 15 N 2.86 3.19 -0.10 5.43 1.01 -1.18 -2.05 121.20 130.35 1j0g s ILE 15 Ca 0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1j0g s ILE 15 Cb -0.23 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.91 1j0g s ILE 15 CO 0.07 0.40 -0.08 0.28 0.00 0.00 0.00 174.94 175.61 1j0g s THR 16 N -0.93 1.00 -0.37 2.92 -1.32 -1.23 -2.41 115.64 113.31 1j0g s THR 16 Ca 0.15 -0.29 -0.28 0.00 -1.21 0.00 0.00 61.69 60.06 1j0g s THR 16 Cb -0.11 -1.01 -0.07 0.00 -1.51 0.00 0.00 72.50 69.80 1j0g s THR 16 CO 0.06 0.36 2.32 -0.11 -2.21 0.00 0.00 174.62 175.03 1j0g n LEU 17 N 4.78 2.67 -3.62 9.08 7.94 -0.79 -3.49 117.00 133.58 1j0g n LEU 17 Ca -0.14 -0.06 -0.41 0.00 -1.11 0.00 0.00 56.01 54.29 1j0g n LEU 17 Cb 0.50 -1.52 -0.00 0.00 0.53 0.00 0.00 43.42 42.93 1j0g n LEU 17 CO 0.18 -1.05 2.27 0.35 -1.11 0.00 0.00 177.39 178.02 1j0g n THR 18 N 7.80 4.89 -2.66 1.96 -2.24 -1.17 -4.29 114.28 118.57 1j0g n THR 18 Ca 0.35 -4.30 -0.03 0.00 -2.27 0.00 0.00 64.05 57.80 1j0g n THR 18 Cb 0.45 -2.20 0.11 0.00 -2.10 0.00 0.00 70.33 66.59 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 2.57 -1.09 0.00 3.42 3.41 -1.26 -4.82 113.62 115.85 1j0g n SER 19 Ca 0.54 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1j0g n SER 19 Cb 0.29 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 1j0g n SER 19 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1j0g n ASP 20 N 0.69 0.00 -3.11 4.04 -0.08 -1.26 -5.03 116.55 111.79 1j0g n ASP 20 Ca -0.06 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.95 1j0g n ASP 20 Cb 0.76 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.18 1j0g n ASP 20 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1j0g n PRO 21 N -0.00 2.64 0.00 -0.67 -0.04 -1.26 -2.81 135.00 132.86 1j0g n PRO 21 Ca 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1j0g n PRO 21 Cb 0.00 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 3.80 0.00 -2.55 0.54 1.74 -1.26 -5.07 116.66 113.85 1j0g n ARG 22 Ca 0.56 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.59 1j0g n ARG 22 Cb 0.23 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.69 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 -1.76 -4.62 -4.71 0.55 7.99 -1.12 -4.96 117.00 108.37 1j0g n LEU 23 Ca 0.00 -0.27 -0.42 0.00 -0.01 0.00 0.00 56.01 55.31 1j0g n LEU 23 Cb 0.00 -2.32 -0.03 0.00 -0.11 0.00 0.00 43.42 40.96 1j0g n LEU 23 CO 0.00 -0.27 0.87 -2.16 -1.51 0.00 0.00 177.39 174.32 1j0g s PRO 24 N -3.50 4.44 0.16 3.23 0.04 -1.26 -4.82 135.00 133.29 1j0g s PRO 24 Ca 0.16 1.72 0.11 0.00 0.04 0.00 0.00 61.00 63.03 1j0g s PRO 24 Cb -0.02 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1j0g s PRO 24 CO 0.47 -0.25 -0.23 1.52 0.04 0.00 0.00 177.00 178.55 1j0g s TYR 25 N 1.19 2.38 -0.24 0.56 1.13 -1.26 -1.89 117.35 119.21 1j0g s TYR 25 Ca 0.58 -0.34 -0.22 0.00 -1.41 0.00 0.00 57.07 55.68 1j0g s TYR 25 Cb -0.28 -1.23 0.06 0.00 -1.10 0.00 0.00 41.96 39.42 1j0g s TYR 25 CO 0.28 0.43 0.64 -1.59 -2.51 0.00 0.00 175.55 172.80 1j0g s LYS 26 N -2.40 0.75 -0.15 -3.49 0.00 -1.01 -5.03 119.74 108.40 1j0g s LYS 26 Ca 0.18 0.90 -0.08 0.00 0.00 0.00 0.00 55.97 56.98 1j0g s LYS 26 Cb -0.09 0.36 -0.04 0.00 0.00 0.00 0.00 37.83 38.05 1j0g s LYS 26 CO 0.09 -0.09 0.11 0.14 0.00 0.00 0.00 175.35 175.60 1j0g s VAL 27 N 0.39 5.20 -0.26 1.79 -7.23 -1.26 -3.13 120.40 115.91 1j0g s VAL 27 Ca -0.00 0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 60.26 1j0g s VAL 27 Cb -0.05 -3.31 0.04 0.00 0.56 0.00 0.00 36.38 33.62 1j0g s VAL 27 CO 0.00 0.53 -0.07 -0.22 -0.31 0.00 0.00 175.10 175.03 1j0g s LEU 28 N -0.28 3.32 -0.18 1.32 2.96 -1.04 -4.88 118.68 119.90 1j0g s LEU 28 Ca 0.10 -1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.79 1j0g s LEU 28 Cb -0.12 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1j0g s LEU 28 CO 0.01 -0.16 0.52 -0.55 -1.32 0.00 0.00 176.35 174.86 1j0g s SER 29 N 1.27 6.61 0.08 3.68 0.15 -1.26 -2.02 113.70 122.21 1j0g s SER 29 Ca -0.02 0.73 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 1j0g s SER 29 Cb -0.18 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1j0g s SER 29 CO -0.04 -0.15 0.20 0.68 1.20 0.00 0.00 173.24 175.13 1j0g s VAL 30 N 1.42 0.13 -0.07 4.45 -7.23 -0.40 -4.93 120.40 113.78 1j0g s VAL 30 Ca 0.25 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1j0g s VAL 30 Cb -0.15 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1j0g s VAL 30 CO 0.10 -0.60 1.23 -2.16 -0.31 0.00 0.00 175.10 173.36 1j0g s PRO 31 N -3.61 4.33 0.30 4.82 0.04 -1.26 0.86 135.00 140.47 1j0g s PRO 31 Ca 0.03 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1j0g s PRO 31 Cb 0.04 -3.59 0.65 0.00 0.04 0.00 0.00 34.50 31.63 1j0g s PRO 31 CO -0.10 -0.50 1.55 0.39 0.04 0.00 0.00 177.00 178.38 1j0g n GLU 32 N 5.44 -0.08 -0.66 4.56 1.02 -0.95 0.20 120.64 130.17 1j0g n GLU 32 Ca 0.12 1.50 0.50 0.00 -0.02 0.00 0.00 57.16 59.26 1j0g n GLU 32 Cb 0.46 -2.34 0.77 0.00 -0.02 0.00 0.00 31.44 30.31 1j0g n GLU 32 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j0g n SER 33 N -5.53 0.00 -4.78 1.62 3.41 -1.26 -2.15 113.62 104.93 1j0g n SER 33 Ca 0.21 0.94 -0.37 0.00 -0.26 0.00 0.00 58.87 59.39 1j0g n SER 33 Cb 0.66 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 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 -4.75 4.22 0.56 6.66 2.01 0.54 -4.75 115.64 120.13 1j0g s THR 34 Ca -0.05 1.80 -0.17 0.00 0.31 0.00 0.00 61.69 63.59 1j0g s THR 34 Cb 0.25 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1j0g s THR 34 CO 0.83 0.11 1.04 -2.16 -0.69 0.00 0.00 174.62 173.76 1j0g s PRO 35 N -2.13 3.52 0.00 4.92 0.04 -1.26 0.81 135.00 140.90 1j0g s PRO 35 Ca 0.51 1.22 0.26 0.00 0.04 0.00 0.00 61.00 63.03 1j0g s PRO 35 Cb -0.18 -2.06 1.11 0.00 0.04 0.00 0.00 34.50 33.41 1j0g s PRO 35 CO 0.23 -0.65 1.84 0.34 0.04 0.00 0.00 177.00 178.79 1j0g n PHE 36 N -1.69 0.01 0.13 0.56 -0.00 -1.26 -3.15 117.46 112.06 1j0g n PHE 36 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.56 1j0g n PHE 36 Cb 0.53 -0.51 0.38 0.00 -0.00 0.00 0.00 39.48 39.89 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 1.19 0.15 -2.13 1.03 -1.91 -2.57 112.91 108.67 1j0g h THR 37 Ca 0.00 -0.86 -0.01 0.00 -0.01 0.00 0.00 66.41 65.53 1j0g h THR 37 Cb 0.45 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1j0g h THR 37 CO 0.00 0.26 -0.07 0.00 -0.01 0.00 0.00 175.52 175.70 1j0g h ALA 38 N 1.64 -0.37 -0.72 0.00 0.00 -1.95 -3.25 119.26 114.61 1j0g h ALA 38 Ca 0.04 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1j0g h ALA 38 Cb 0.42 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1j0g h ALA 38 CO 0.03 -0.35 -0.08 1.55 0.00 0.00 0.00 179.25 180.39 1j0g n VAL 39 N -3.41 -0.30 -0.17 0.00 3.14 -1.22 0.14 118.33 116.51 1j0g n VAL 39 Ca -0.02 1.62 -0.12 0.00 -2.96 0.00 0.00 64.34 62.85 1j0g n VAL 39 Cb 0.08 -2.30 -0.09 0.00 -1.06 0.00 0.00 33.84 30.47 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 -1.77 0.82 6.55 5.85 -1.53 1.01 115.31 126.23 1j0g h LEU 40 Ca 0.39 0.24 -0.04 0.00 0.84 0.00 0.00 57.88 59.31 1j0g h LEU 40 Cb 0.72 0.74 0.01 0.00 0.37 0.00 0.00 40.66 42.49 1j0g h LEU 40 CO -0.71 -0.34 -0.39 0.11 -0.34 0.00 0.00 178.44 176.76 1j0g h LYS 41 N -0.30 -1.06 -0.96 1.25 1.57 0.12 -2.98 116.57 114.21 1j0g h LYS 41 Ca 0.08 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 1j0g h LYS 41 Cb 0.52 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 32.94 1j0g h LYS 41 CO -0.61 -0.69 -0.49 0.34 -0.57 0.00 0.00 179.45 177.43 1j0g n PHE 42 N -5.53 -0.24 -0.30 -1.35 -0.00 0.57 0.76 117.46 111.36 1j0g n PHE 42 Ca -0.14 1.19 0.02 0.00 -0.00 0.00 0.00 57.45 58.52 1j0g n PHE 42 Cb 0.44 -0.69 0.09 0.00 -0.00 0.00 0.00 39.48 39.32 1j0g n PHE 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1j0g h ALA 43 N 0.82 0.47 -0.66 3.13 0.00 0.11 0.51 119.26 123.63 1j0g h ALA 43 Ca 0.23 0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.56 1j0g h ALA 43 Cb 0.47 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1j0g h ALA 43 CO -0.92 -0.45 -0.34 0.00 0.00 0.00 0.00 179.25 177.54 1j0g h ALA 44 N 1.72 -0.01 -0.43 0.00 0.00 0.49 1.19 119.26 122.22 1j0g h ALA 44 Ca 0.39 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.53 1j0g h ALA 44 Cb 0.61 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1j0g h ALA 44 CO -0.87 -0.67 0.29 0.93 0.00 0.00 0.00 179.25 178.94 1j0g h GLU 45 N -0.13 0.37 0.00 0.00 5.08 0.28 0.45 114.58 120.62 1j0g h GLU 45 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1j0g h GLU 45 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1j0g h GLU 45 CO -0.73 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 177.91 1j0g n GLU 46 N -4.48 0.23 -0.07 2.33 -0.58 0.38 -2.30 120.64 116.16 1j0g n GLU 46 Ca 0.05 0.36 0.06 0.00 -0.42 0.00 0.00 57.16 57.21 1j0g n GLU 46 Cb 0.23 -1.87 0.09 0.00 -0.57 0.00 0.00 31.44 29.32 1j0g n GLU 46 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1j0g n PHE 47 N -2.28 0.18 -2.19 -0.32 3.72 0.13 -4.96 117.46 111.74 1j0g n PHE 47 Ca 0.03 -0.19 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 1j0g n PHE 47 Cb 0.30 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.59 -1.46 -4.23 -1.08 5.02 0.32 -4.98 118.16 112.34 1j0g n LYS 48 Ca 0.08 0.96 -0.25 0.00 -2.02 0.00 0.00 58.31 57.09 1j0g n LYS 48 Cb 0.33 -5.45 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.89 3.72 0.16 -0.18 -7.23 0.14 -5.00 120.40 109.13 1j0g s VAL 49 Ca 0.00 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1j0g s VAL 49 Cb 0.00 -2.94 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 1j0g s VAL 49 CO 0.00 -0.24 1.13 -2.16 -0.31 0.00 0.00 175.10 173.52 1j0g s PRO 50 N -3.33 4.55 -0.45 4.82 0.04 -1.26 -3.84 135.00 135.53 1j0g s PRO 50 Ca 0.30 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 1j0g s PRO 50 Cb -0.08 -3.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 1j0g s PRO 50 CO 0.20 -0.01 3.24 0.00 0.04 0.00 0.00 177.00 180.47 1j0g n ALA 51 N 2.67 6.61 0.01 8.56 0.00 -1.26 -3.51 120.51 133.59 1j0g n ALA 51 Ca 0.04 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1j0g n ALA 51 Cb 0.46 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 2.22 2.86 -1.22 0.00 0.00 -1.26 -4.87 120.51 118.23 1j0g n ALA 52 Ca 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 1j0g n ALA 52 Cb 0.68 0.00 0.05 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 -2.54 3.27 -4.20 0.00 -2.24 -1.23 -4.77 114.28 102.57 1j0g n THR 53 Ca 0.00 -2.55 -0.13 0.00 -2.27 0.00 0.00 64.05 59.10 1j0g n THR 53 Cb 0.00 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 66.85 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 -0.77 1.46 -0.28 3.42 0.01 -1.26 -2.16 113.70 114.12 1j0g s SER 54 Ca 0.50 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 1j0g s SER 54 Cb 0.39 0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.75 1j0g s SER 54 CO -0.06 -0.35 0.79 0.00 0.41 0.00 0.00 173.24 174.03 1j0g s ALA 55 N -3.07 -2.01 -0.17 1.44 0.00 0.89 -4.41 121.76 114.43 1j0g s ALA 55 Ca 0.11 2.33 -0.12 0.00 0.00 0.00 0.00 51.96 54.28 1j0g s ALA 55 Cb 0.01 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1j0g s ALA 55 CO -0.01 -0.36 0.21 0.42 0.00 0.00 0.00 175.76 176.02 1j0g s ILE 56 N 1.45 5.36 0.17 0.00 1.01 -1.26 0.92 121.20 128.84 1j0g s ILE 56 Ca -0.09 0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1j0g s ILE 56 Cb -0.05 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1j0g s ILE 56 CO -0.17 0.43 -0.02 0.27 0.00 0.00 0.00 174.94 175.45 1j0g s ILE 57 N 0.33 0.76 0.60 2.92 -4.36 -0.64 -3.59 121.20 117.22 1j0g s ILE 57 Ca 0.13 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1j0g s ILE 57 Cb -0.12 -2.06 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 1j0g s ILE 57 CO 0.01 -0.54 0.94 0.42 0.24 0.00 0.00 174.94 176.01 1j0g s THR 58 N -3.60 3.90 0.47 8.37 -4.23 0.16 -2.22 115.64 118.49 1j0g s THR 58 Ca 0.22 0.22 0.21 0.00 -1.18 0.00 0.00 61.69 61.16 1j0g s THR 58 Cb 0.06 -3.56 0.39 0.00 1.34 0.00 0.00 72.50 70.73 1j0g s THR 58 CO 0.03 -0.62 1.92 0.78 -0.54 0.00 0.00 174.62 176.18 1j0g h ASN 59 N -0.23 0.24 0.44 3.99 4.21 -1.90 1.46 115.58 123.79 1j0g h ASN 59 Ca -0.45 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1j0g h ASN 59 Cb 1.24 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1j0g h ASN 59 CO 0.62 0.11 0.00 -0.78 -1.29 0.00 0.00 177.43 176.09 1j0g h ASP 60 N 0.25 0.00 -1.29 5.81 3.58 -1.95 -3.46 116.42 119.36 1j0g h ASP 60 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1j0g h ASP 60 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1j0g h ASP 60 CO -0.09 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.88 1j0g n GLY 61 N -0.57 0.51 2.96 -0.78 0.00 0.50 -5.10 105.19 102.71 1j0g n GLY 61 Ca -0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.39 0.53 0.00 -0.61 -1.09 -1.21 -4.87 121.20 111.55 1j0g s ILE 62 Ca 0.00 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1j0g s ILE 62 Cb 0.00 -0.47 0.00 0.00 -1.58 0.00 0.00 42.46 40.41 1j0g s ILE 62 CO 0.00 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 1j0g n GLY 63 N 3.20 -3.21 3.35 6.18 0.00 -1.26 0.39 105.19 113.85 1j0g n GLY 63 Ca -0.16 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.43 0.95 -0.24 -0.61 -1.09 -1.24 -4.44 121.20 114.10 1j0g s ILE 64 Ca 0.00 -2.02 -0.03 0.00 -2.23 0.00 0.00 60.65 56.37 1j0g s ILE 64 Cb 0.00 -2.51 0.08 0.00 -1.58 0.00 0.00 42.46 38.45 1j0g s ILE 64 CO 0.00 -0.17 0.09 0.20 -1.23 0.00 0.00 174.94 173.83 1j0g s ASN 65 N -3.35 3.18 -0.13 3.58 -0.87 -1.26 -5.02 114.94 111.07 1j0g s ASN 65 Ca 0.32 -1.07 -0.05 0.00 -1.57 0.00 0.00 52.86 50.49 1j0g s ASN 65 Cb 0.07 -0.47 -0.19 0.00 -0.02 0.00 0.00 41.25 40.64 1j0g s ASN 65 CO 0.11 -0.38 2.80 -0.81 -2.57 0.00 0.00 177.10 176.25 1j0g n PRO 66 N 5.14 1.64 0.06 -0.60 -0.04 -1.26 -4.01 135.00 135.92 1j0g n PRO 66 Ca -0.06 -0.86 0.12 0.00 -0.04 0.00 0.00 63.50 62.65 1j0g n PRO 66 Cb 0.45 -1.95 0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g n ALA 67 N 2.77 3.01 -4.18 0.55 0.00 -1.26 -4.86 120.51 116.54 1j0g n ALA 67 Ca 0.35 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1j0g n ALA 67 Cb 0.63 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1j0g n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n GLN 68 N -2.16 0.80 -2.28 0.00 0.00 -1.26 -5.06 117.38 107.42 1j0g n GLN 68 Ca 0.02 -2.26 -0.35 0.00 0.00 0.00 0.00 57.00 54.41 1j0g n GLN 68 Cb 0.46 1.11 -0.00 0.00 0.00 0.00 0.00 30.24 31.81 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 -2.47 3.19 0.24 -0.39 -4.23 -1.26 -4.32 115.64 106.40 1j0g s THR 69 Ca 0.11 0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1j0g s THR 69 Cb 0.01 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1j0g s THR 69 CO 0.08 -0.13 1.66 0.00 -0.54 0.00 0.00 174.62 175.68 1j0g h ALA 70 N 1.39 0.84 -0.03 3.99 0.00 0.93 1.55 119.26 127.93 1j0g h ALA 70 Ca -0.50 0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1j0g h ALA 70 Cb 1.26 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1j0g h ALA 70 CO 0.58 -0.39 0.06 0.78 0.00 0.00 0.00 179.25 180.27 1j0g h GLY 71 N 0.17 0.00 0.52 0.00 0.00 -1.74 1.53 103.07 103.55 1j0g h GLY 71 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1j0g h GLY 71 CO -0.59 0.00 -1.10 0.70 0.00 0.00 0.00 176.54 175.56 1j0g n ASN 72 N -3.48 0.60 -0.10 0.19 3.02 0.49 -3.33 115.26 112.65 1j0g n ASN 72 Ca -0.02 -0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.05 1j0g n ASN 72 Cb 0.14 0.89 -0.11 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.97 1.56 0.37 2.41 0.31 0.13 -2.89 118.33 118.25 1j0g n VAL 73 Ca 0.02 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1j0g n VAL 73 Cb 0.44 -1.89 0.48 0.00 -0.91 0.00 0.00 33.84 31.96 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 -4.13 0.72 -0.08 3.52 -1.74 0.48 -0.25 117.46 115.97 1j0g n PHE 74 Ca -0.41 0.29 -0.08 0.00 -0.56 0.00 0.00 57.45 56.69 1j0g n PHE 74 Cb 0.83 -0.97 -0.03 0.00 1.52 0.00 0.00 39.48 40.82 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 -2.16 1.83 -0.19 5.98 7.94 -1.21 -0.45 117.00 128.74 1j0g n LEU 75 Ca 0.02 0.57 -0.05 0.00 -1.11 0.00 0.00 56.01 55.44 1j0g n LEU 75 Cb 0.20 -0.87 0.05 0.00 0.53 0.00 0.00 43.42 43.32 1j0g n LEU 75 CO 0.18 -0.31 1.07 0.07 -1.11 0.00 0.00 177.39 177.29 1j0g h LYS 76 N -1.00 0.62 0.08 1.96 2.10 -1.49 -3.08 116.57 115.76 1j0g h LYS 76 Ca -0.07 -0.04 -0.20 0.00 -2.00 0.00 0.00 60.65 58.34 1j0g h LYS 76 Cb 0.71 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1j0g h LYS 76 CO -0.04 0.41 -1.01 0.45 -2.00 0.00 0.00 179.45 177.26 1j0g h HIS 77 N 0.64 0.30 0.00 0.07 3.86 -0.83 -3.51 115.15 115.69 1j0g h HIS 77 Ca 0.22 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1j0g h HIS 77 Cb 0.04 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1j0g h HIS 77 CO -0.07 1.39 0.00 0.41 0.86 0.00 0.00 177.93 180.53 1j0g n GLY 78 N 1.65 2.91 0.13 2.45 0.00 0.41 -4.88 105.19 107.86 1j0g n GLY 78 Ca -0.21 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 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 0.66 -2.87 1.61 4.64 -1.65 -3.41 113.55 112.53 1j0g h SER 79 Ca 0.00 -0.77 -0.55 0.00 -0.47 0.00 0.00 61.79 60.00 1j0g h SER 79 Cb 0.00 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 1j0g h SER 79 CO 0.00 1.62 1.11 -1.61 -0.87 0.00 0.00 176.83 177.08 1j0g s GLU 80 N -2.61 3.33 0.16 4.77 2.02 -1.26 -1.88 118.70 123.23 1j0g s GLU 80 Ca -0.09 0.58 -0.02 0.00 0.02 0.00 0.00 54.97 55.46 1j0g s GLU 80 Cb 0.05 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 1j0g s GLU 80 CO 0.90 -1.90 0.10 -0.51 0.02 0.00 0.00 175.26 173.88 1j0g s LEU 81 N 6.09 1.46 0.02 1.80 1.43 -0.87 -4.29 118.68 124.32 1j0g s LEU 81 Ca 0.55 -1.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1j0g s LEU 81 Cb -0.12 0.39 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1j0g s LEU 81 CO 0.27 -0.79 -0.14 -0.13 0.23 0.00 0.00 176.35 175.79 1j0g s ARG 82 N -4.09 0.98 -0.31 1.70 0.52 -0.94 -3.48 118.95 113.34 1j0g s ARG 82 Ca 0.30 -0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 1j0g s ARG 82 Cb 0.07 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 1j0g s ARG 82 CO 0.06 0.25 0.31 -1.50 0.02 0.00 0.00 175.30 174.45 1j0g s ILE 83 N -0.64 5.21 0.20 1.52 2.07 -1.23 -1.63 121.20 126.70 1j0g s ILE 83 Ca 0.03 0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.53 1j0g s ILE 83 Cb -0.07 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 1j0g s ILE 83 CO 0.01 0.06 0.11 0.27 -1.91 0.00 0.00 174.94 173.48 1j0g s ILE 84 N 1.95 4.22 -0.19 2.00 -5.25 0.26 -3.02 121.20 121.16 1j0g s ILE 84 Ca 0.11 -1.31 -0.29 0.00 -0.99 0.00 0.00 60.65 58.17 1j0g s ILE 84 Cb -0.16 -3.19 -0.01 0.00 2.95 0.00 0.00 42.46 42.05 1j0g s ILE 84 CO 0.11 -0.19 1.29 -2.16 -1.79 0.00 0.00 174.94 172.20 1j0g s PRO 85 N -3.30 4.15 0.07 0.37 0.04 -1.26 -0.07 135.00 134.99 1j0g s PRO 85 Ca 0.31 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 1j0g s PRO 85 Cb -0.09 -3.81 -0.16 0.00 0.04 0.00 0.00 34.50 30.49 1j0g s PRO 85 CO 0.22 -0.82 1.66 -0.09 0.04 0.00 0.00 177.00 178.01 1j0g h ARG 86 N 8.56 -0.02 -0.19 4.56 2.43 -1.64 -3.44 114.38 124.65 1j0g h ARG 86 Ca -0.27 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1j0g h ARG 86 Cb 1.11 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.48 1j0g h ARG 86 CO 0.98 0.06 -0.07 0.34 -1.51 0.00 0.00 179.97 179.77 1j0g s ASP 87 N -5.25 -0.29 -0.20 -3.80 -1.08 -1.26 -5.00 116.67 99.79 1j0g s ASP 87 Ca -0.14 -0.11 -0.15 0.00 -0.52 0.00 0.00 52.55 51.63 1j0g s ASP 87 Cb 0.05 0.54 -0.09 0.00 -1.46 0.00 0.00 42.92 41.96 1j0g s ASP 87 CO 0.66 -0.04 -0.19 0.54 0.52 0.00 0.00 175.17 176.66 1j0g n ARG 88 N 3.98 0.53 -4.30 4.34 5.12 -1.26 -4.81 116.66 120.26 1j0g n ARG 88 Ca 0.06 0.38 -0.26 0.00 -1.93 0.00 0.00 57.85 56.11 1j0g n ARG 88 Cb 0.62 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.25 1j0g n ARG 88 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1j0g s VAL 89 N -2.52 3.21 0.36 1.55 0.11 -1.26 -5.04 120.40 116.81 1j0g s VAL 89 Ca -0.27 -1.74 0.00 0.00 -2.93 0.00 0.00 61.98 57.04 1j0g s VAL 89 Cb 0.06 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1j0g s VAL 89 CO 0.42 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1j0g n GLY 90 N -0.17 -2.75 2.88 6.54 0.00 -1.26 -4.93 105.19 105.49 1j0g n GLY 90 Ca -0.10 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 1j0g n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0g s SER 91 N -6.32 1.81 0.00 1.61 0.01 -1.26 -5.03 113.70 104.53 1j0g s SER 91 Ca 0.00 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1j0g s SER 91 Cb 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1j0g s SER 91 CO 0.00 -0.12 0.38 0.00 0.41 0.00 0.00 173.24 173.91