#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 -7.55 0.23 1.61 7.64 -1.26 -5.00 113.62 109.29 1j0g n SER 2 Ca 0.00 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1j0g n SER 2 Cb 0.00 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.19 1j0g n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1j0g n GLU 3 N 0.56 0.00 -3.37 1.43 2.13 -1.26 -5.05 120.64 115.08 1j0g n GLU 3 Ca 0.01 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.57 1j0g n GLU 3 Cb 0.04 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.65 1j0g n GLU 3 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1j0g s GLY 4 N -2.25 1.05 -0.82 8.31 0.00 -1.26 -5.02 107.32 107.33 1j0g s GLY 4 Ca 0.00 -2.30 0.01 0.00 0.00 0.00 0.00 44.72 42.44 1j0g s GLY 4 CO 0.00 2.19 0.89 0.00 0.00 0.00 0.00 173.10 176.18 1j0g n ALA 5 N 2.99 4.16 -3.60 3.20 0.00 -1.26 -4.93 120.51 121.07 1j0g n ALA 5 Ca 0.27 -4.70 -0.29 0.00 0.00 0.00 0.00 53.44 48.72 1j0g n ALA 5 Cb 0.47 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g s ALA 6 N -2.11 1.86 0.01 0.00 0.00 -1.26 -5.10 121.76 115.16 1j0g s ALA 6 Ca 0.33 -2.51 0.02 0.00 0.00 0.00 0.00 51.96 49.79 1j0g s ALA 6 Cb 0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1j0g s ALA 6 CO -0.04 -2.06 -0.06 0.95 0.00 0.00 0.00 175.76 174.55 1j0g s THR 7 N 0.28 0.48 -0.36 0.00 -4.23 -1.26 -5.11 115.64 105.44 1j0g s THR 7 Ca 0.22 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1j0g s THR 7 Cb -0.16 -0.44 0.18 0.00 1.34 0.00 0.00 72.50 73.42 1j0g s THR 7 CO -0.06 -0.00 0.81 -0.32 -0.54 0.00 0.00 174.62 174.51 1j0g s MET 8 N -0.51 0.51 -0.32 3.99 1.75 -1.26 -5.09 119.30 118.38 1j0g s MET 8 Ca -0.01 -0.11 -0.10 0.00 -1.25 0.00 0.00 55.69 54.23 1j0g s MET 8 Cb -0.04 0.08 0.21 0.00 2.84 0.00 0.00 34.83 37.91 1j0g s MET 8 CO -0.00 -0.77 1.13 -1.54 -0.65 0.00 0.00 175.02 173.19 1j0g s SER 9 N 2.02 -0.15 0.29 1.11 1.04 -1.26 -5.14 113.70 111.60 1j0g s SER 9 Ca 0.16 -0.14 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1j0g s SER 9 Cb -0.02 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1j0g s SER 9 CO -0.12 -0.01 -0.00 -0.54 0.98 0.00 0.00 173.24 173.55 1j0g s LYS 10 N 1.39 2.23 -0.02 4.02 1.02 -1.26 -2.08 119.74 125.03 1j0g s LYS 10 Ca 0.19 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 54.69 1j0g s LYS 10 Cb 0.10 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1j0g s LYS 10 CO -0.13 0.30 -0.04 0.14 -0.92 0.00 0.00 175.35 174.70 1j0g s VAL 11 N -2.38 0.41 -0.19 3.17 -7.23 -0.32 -4.86 120.40 109.00 1j0g s VAL 11 Ca 0.32 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1j0g s VAL 11 Cb -0.05 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1j0g s VAL 11 CO 0.20 0.15 0.04 -0.94 -0.31 0.00 0.00 175.10 174.23 1j0g s SER 12 N 0.28 5.26 -0.26 4.85 1.04 -1.26 -2.75 113.70 120.86 1j0g s SER 12 Ca -0.03 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.24 1j0g s SER 12 Cb -0.07 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 1j0g s SER 12 CO -0.00 0.12 0.17 -0.36 0.98 0.00 0.00 173.24 174.15 1j0g s PHE 13 N 0.70 3.25 -0.71 5.02 0.40 -1.01 -4.84 117.98 120.79 1j0g s PHE 13 Ca 0.02 0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.32 1j0g s PHE 13 Cb -0.14 -2.34 0.15 0.00 0.51 0.00 0.00 43.02 41.21 1j0g s PHE 13 CO 0.02 -0.09 0.74 0.21 0.70 0.00 0.00 175.22 176.80 1j0g s LYS 14 N 1.51 3.30 0.20 0.44 2.20 0.05 -2.94 119.74 124.49 1j0g s LYS 14 Ca 0.07 -1.84 0.11 0.00 -0.36 0.00 0.00 55.97 53.96 1j0g s LYS 14 Cb -0.15 -4.42 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 1j0g s LYS 14 CO 0.09 -1.45 -0.23 0.42 -0.36 0.00 0.00 175.35 173.82 1j0g s ILE 15 N 1.64 2.29 -0.05 5.43 1.01 -1.25 -3.56 121.20 126.71 1j0g s ILE 15 Ca 0.15 -2.06 0.03 0.00 0.00 0.00 0.00 60.65 58.77 1j0g s ILE 15 Cb -0.18 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1j0g s ILE 15 CO -0.02 -0.18 -0.12 -0.89 0.00 0.00 0.00 174.94 173.74 1j0g s THR 16 N -1.81 1.05 0.31 2.92 2.01 -1.25 -2.80 115.64 116.06 1j0g s THR 16 Ca 0.21 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 1j0g s THR 16 Cb -0.07 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.40 1j0g s THR 16 CO 0.10 0.32 1.26 -0.22 -0.69 0.00 0.00 174.62 175.39 1j0g s LEU 17 N 0.38 4.46 -0.17 4.42 2.96 0.71 -3.89 118.68 127.55 1j0g s LEU 17 Ca -0.08 2.57 -0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1j0g s LEU 17 Cb -0.12 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.96 1j0g s LEU 17 CO 0.02 -0.44 -0.07 0.42 -1.32 0.00 0.00 176.35 174.96 1j0g s THR 18 N -1.07 1.25 0.00 3.68 -4.23 -1.26 -3.97 115.64 110.04 1j0g s THR 18 Ca 0.48 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1j0g s THR 18 Cb -0.38 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1j0g s THR 18 CO 0.49 0.18 0.00 -1.54 -0.54 0.00 0.00 174.62 173.21 1j0g n SER 19 N 4.83 0.00 -4.60 3.99 3.41 -1.26 -4.83 113.62 115.16 1j0g n SER 19 Ca -0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.21 1j0g n SER 19 Cb 0.48 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.34 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 4.45 -0.69 4.04 2.15 -1.26 -5.01 116.67 120.35 1j0g s ASP 20 Ca 0.00 -0.50 -0.06 0.00 0.43 0.00 0.00 52.55 52.42 1j0g s ASP 20 Cb 0.00 -0.83 -0.13 0.00 -0.30 0.00 0.00 42.92 41.66 1j0g s ASP 20 CO 0.00 0.10 2.63 -0.81 -0.17 0.00 0.00 175.17 176.93 1j0g n PRO 21 N 0.04 2.22 0.00 4.34 -0.04 -1.26 -3.11 135.00 137.18 1j0g n PRO 21 Ca -0.11 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1j0g n PRO 21 Cb 0.55 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 3.37 0.00 -3.02 0.54 5.12 -1.26 -5.08 116.66 116.32 1j0g n ARG 22 Ca 0.47 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.32 1j0g n ARG 22 Cb 0.40 -0.18 0.04 0.00 -1.16 0.00 0.00 32.46 31.55 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 -2.10 -5.81 -4.75 0.55 7.99 -1.18 -4.95 117.00 106.74 1j0g n LEU 23 Ca 0.00 -0.39 -0.40 0.00 -0.01 0.00 0.00 56.01 55.21 1j0g n LEU 23 Cb 0.00 -3.04 -0.04 0.00 -0.11 0.00 0.00 43.42 40.22 1j0g n LEU 23 CO 0.00 -0.41 0.78 -2.16 -1.51 0.00 0.00 177.39 174.09 1j0g s PRO 24 N -3.70 4.64 0.14 3.23 0.04 -1.25 -4.74 135.00 133.36 1j0g s PRO 24 Ca 0.23 1.76 0.09 0.00 0.04 0.00 0.00 61.00 63.13 1j0g s PRO 24 Cb -0.03 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1j0g s PRO 24 CO 0.68 0.20 -0.21 1.52 0.04 0.00 0.00 177.00 179.22 1j0g s TYR 25 N -0.93 1.95 -0.27 0.56 -0.85 -1.26 -0.21 117.35 116.34 1j0g s TYR 25 Ca 0.45 -0.42 -0.23 0.00 -0.52 0.00 0.00 57.07 56.36 1j0g s TYR 25 Cb -0.31 -1.02 0.07 0.00 0.38 0.00 0.00 41.96 41.08 1j0g s TYR 25 CO 0.39 0.31 0.72 -1.59 -1.52 0.00 0.00 175.55 173.86 1j0g s LYS 26 N -2.31 0.80 -0.25 -3.49 0.00 -1.12 -5.04 119.74 108.33 1j0g s LYS 26 Ca 0.12 1.05 -0.14 0.00 0.00 0.00 0.00 55.97 57.01 1j0g s LYS 26 Cb -0.08 0.33 -0.04 0.00 0.00 0.00 0.00 37.83 38.04 1j0g s LYS 26 CO 0.06 -0.11 0.31 0.14 0.00 0.00 0.00 175.35 175.75 1j0g s VAL 27 N 0.71 5.24 -0.22 1.79 -7.23 -1.26 -3.85 120.40 115.57 1j0g s VAL 27 Ca -0.03 0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 60.50 1j0g s VAL 27 Cb -0.05 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1j0g s VAL 27 CO -0.05 0.23 0.22 -0.22 -0.31 0.00 0.00 175.10 174.97 1j0g s LEU 28 N 1.63 4.14 -0.32 1.32 0.20 -1.15 -4.86 118.68 119.64 1j0g s LEU 28 Ca 0.13 0.23 -0.12 0.00 0.69 0.00 0.00 54.13 55.06 1j0g s LEU 28 Cb -0.15 -2.21 -0.03 0.00 -0.43 0.00 0.00 46.19 43.37 1j0g s LEU 28 CO 0.08 0.04 0.22 -0.55 -0.29 0.00 0.00 176.35 175.86 1j0g s SER 29 N 0.97 6.01 0.07 3.68 0.15 -1.26 -2.40 113.70 120.92 1j0g s SER 29 Ca 0.10 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 1j0g s SER 29 Cb -0.14 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1j0g s SER 29 CO 0.05 -0.17 0.05 0.68 1.20 0.00 0.00 173.24 175.05 1j0g s VAL 30 N 1.73 0.18 0.21 4.45 -7.23 -1.11 -4.98 120.40 113.65 1j0g s VAL 30 Ca 0.06 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 1j0g s VAL 30 Cb -0.17 -1.55 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 1j0g s VAL 30 CO 0.10 -0.81 1.11 -2.16 -0.31 0.00 0.00 175.10 173.03 1j0g s PRO 31 N -3.92 4.60 0.14 4.82 0.04 -1.26 -1.17 135.00 138.25 1j0g s PRO 31 Ca 0.09 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1j0g s PRO 31 Cb 0.07 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1j0g s PRO 31 CO -0.08 0.11 1.57 0.93 0.04 0.00 0.00 177.00 179.57 1j0g h GLU 32 N 4.72 -0.42 -0.83 4.56 5.08 -1.75 -1.88 114.58 124.06 1j0g h GLU 32 Ca -0.45 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1j0g h GLU 32 Cb 1.21 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 1j0g h GLU 32 CO 0.71 -0.28 -0.49 0.45 -1.00 0.00 0.00 179.01 178.40 1j0g n SER 33 N -5.42 -0.87 -4.39 1.42 2.88 -1.26 -0.87 113.62 105.10 1j0g n SER 33 Ca -0.03 1.48 -0.42 0.00 -1.33 0.00 0.00 58.87 58.57 1j0g n SER 33 Cb 0.36 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1j0g n SER 33 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1j0g n THR 34 N -5.05 1.38 -2.54 2.46 -1.04 -0.71 -3.94 114.28 104.85 1j0g n THR 34 Ca 0.02 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.17 1j0g n THR 34 Cb 0.22 -0.32 -0.04 0.00 -1.82 0.00 0.00 70.33 68.38 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 -1.34 4.12 0.58 -2.82 0.04 -1.26 0.12 135.00 134.45 1j0g s PRO 35 Ca 0.62 1.51 0.37 0.00 0.04 0.00 0.00 61.00 63.53 1j0g s PRO 35 Cb -0.64 -2.50 1.70 0.00 0.04 0.00 0.00 34.50 33.10 1j0g s PRO 35 CO 0.60 -0.18 2.11 0.35 0.04 0.00 0.00 177.00 179.92 1j0g h PHE 36 N 2.41 0.00 -0.64 0.56 3.04 -1.84 -2.51 116.94 117.95 1j0g h PHE 36 Ca -0.48 0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.52 1j0g h PHE 36 Cb 1.22 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.69 1j0g h PHE 36 CO 0.58 0.01 0.43 0.00 -2.02 0.00 0.00 178.31 177.31 1j0g h THR 37 N 0.00 1.04 -0.52 4.41 1.03 -1.91 -0.93 112.91 116.03 1j0g h THR 37 Ca -0.00 -0.24 -0.08 0.00 -0.01 0.00 0.00 66.41 66.08 1j0g h THR 37 Cb 0.35 0.29 -0.02 0.00 -1.07 0.00 0.00 68.15 67.70 1j0g h THR 37 CO 0.00 0.13 -0.00 0.00 -0.01 0.00 0.00 175.52 175.63 1j0g h ALA 38 N 1.64 0.70 -1.19 0.00 0.00 -1.84 -2.20 119.26 116.36 1j0g h ALA 38 Ca 0.27 -0.29 0.35 0.00 0.00 0.00 0.00 54.91 55.23 1j0g h ALA 38 Cb 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1j0g h ALA 38 CO -0.08 0.52 0.86 0.28 0.00 0.00 0.00 179.25 180.83 1j0g h VAL 39 N 0.79 0.40 0.42 0.00 2.07 -1.27 0.26 116.25 118.92 1j0g h VAL 39 Ca 0.15 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1j0g h VAL 39 Cb 0.53 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1j0g h VAL 39 CO 0.03 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.67 1j0g h LEU 40 N 0.01 -0.47 -0.26 2.57 7.12 -1.32 0.59 115.31 123.54 1j0g h LEU 40 Ca 0.57 0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.66 1j0g h LEU 40 Cb 2.27 0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 42.45 1j0g h LEU 40 CO -0.01 -0.26 -0.23 0.11 -0.13 0.00 0.00 178.44 177.92 1j0g h LYS 41 N -0.72 -0.22 0.52 1.25 1.57 -1.07 0.49 116.57 118.39 1j0g h LYS 41 Ca -0.06 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1j0g h LYS 41 Cb 0.43 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1j0g h LYS 41 CO 0.09 -0.14 -0.50 0.35 -0.57 0.00 0.00 179.45 178.68 1j0g h PHE 42 N -0.22 -1.38 -0.78 -1.35 3.04 -0.62 -1.48 116.94 114.15 1j0g h PHE 42 Ca 0.14 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.28 1j0g h PHE 42 Cb 0.45 0.53 -0.12 0.00 2.56 0.00 0.00 35.95 39.37 1j0g h PHE 42 CO -0.39 -0.67 0.22 0.00 -2.02 0.00 0.00 178.31 175.44 1j0g h ALA 43 N -0.95 1.07 -0.00 2.41 0.00 0.60 -0.46 119.26 121.92 1j0g h ALA 43 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j0g h ALA 43 Cb 0.87 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1j0g h ALA 43 CO -0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 179.25 178.78 1j0g h ALA 44 N 1.65 -0.55 -0.84 0.00 0.00 0.58 0.44 119.26 120.53 1j0g h ALA 44 Ca 0.45 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.53 1j0g h ALA 44 Cb 0.80 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 19.02 1j0g h ALA 44 CO -0.53 -0.57 -0.12 0.93 0.00 0.00 0.00 179.25 178.95 1j0g h GLU 45 N -0.10 0.03 -0.15 0.00 4.39 -0.48 1.16 114.58 119.43 1j0g h GLU 45 Ca 0.00 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1j0g h GLU 45 Cb 0.11 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1j0g h GLU 45 CO -0.06 0.02 -0.19 0.93 -1.16 0.00 0.00 179.01 178.55 1j0g h GLU 46 N 0.03 -0.22 0.00 2.33 4.39 -0.25 0.21 114.58 121.07 1j0g h GLU 46 Ca 0.43 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1j0g h GLU 46 Cb 0.72 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1j0g h GLU 46 CO -0.82 -0.15 0.00 1.19 -1.16 0.00 0.00 179.01 178.07 1j0g n PHE 47 N -5.33 0.00 -3.16 4.33 3.72 0.14 -4.92 117.46 112.25 1j0g n PHE 47 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.32 1j0g n PHE 47 Cb 0.25 -0.20 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 1j0g n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j0g n LYS 48 N -1.20 -1.52 -4.18 -1.08 5.02 0.36 -5.04 118.16 110.52 1j0g n LYS 48 Ca 0.14 1.30 -0.11 0.00 -2.02 0.00 0.00 58.31 57.62 1j0g n LYS 48 Cb 0.17 -5.55 -0.10 0.00 -0.02 0.00 0.00 35.03 29.53 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 -3.10 0.72 0.32 -0.18 -7.23 -0.88 -4.99 120.40 105.07 1j0g s VAL 49 Ca 0.11 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 58.06 1j0g s VAL 49 Cb -0.02 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.10 1j0g s VAL 49 CO 0.76 -0.83 1.07 -2.16 -0.31 0.00 0.00 175.10 173.63 1j0g s PRO 50 N -3.84 4.47 -0.61 4.82 0.04 -1.26 -4.40 135.00 134.23 1j0g s PRO 50 Ca 0.13 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 1j0g s PRO 50 Cb 0.05 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1j0g s PRO 50 CO -0.04 0.10 2.93 0.00 0.04 0.00 0.00 177.00 180.03 1j0g n ALA 51 N 0.73 6.61 0.04 8.56 0.00 -1.26 -3.77 120.51 131.41 1j0g n ALA 51 Ca 0.01 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1j0g n ALA 51 Cb 0.47 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 1.67 2.80 -2.17 0.00 0.00 -1.26 -4.90 120.51 116.65 1j0g n ALA 52 Ca 0.53 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.58 1j0g n ALA 52 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.77 4.10 -3.83 0.00 -2.24 -1.25 -4.51 114.28 103.79 1j0g n THR 53 Ca 0.00 -4.79 -0.13 0.00 -2.27 0.00 0.00 64.05 56.86 1j0g n THR 53 Cb 0.00 -1.32 -0.14 0.00 -2.10 0.00 0.00 70.33 66.77 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 -1.40 -0.02 -0.19 3.42 1.04 -1.26 -3.35 113.70 111.95 1j0g s SER 54 Ca 0.48 0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.71 1j0g s SER 54 Cb 0.37 0.05 0.09 0.00 0.10 0.00 0.00 66.02 66.63 1j0g s SER 54 CO -0.32 -0.05 0.82 0.00 0.98 0.00 0.00 173.24 174.67 1j0g s ALA 55 N 0.32 -1.84 -0.13 5.32 0.00 0.27 -4.27 121.76 121.42 1j0g s ALA 55 Ca -0.02 1.70 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 1j0g s ALA 55 Cb -0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1j0g s ALA 55 CO -0.01 -0.32 -0.00 0.42 0.00 0.00 0.00 175.76 175.84 1j0g s ILE 56 N -0.39 4.22 0.28 0.00 1.01 -1.26 0.19 121.20 125.25 1j0g s ILE 56 Ca -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1j0g s ILE 56 Cb -0.03 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1j0g s ILE 56 CO 0.02 0.53 0.11 0.27 0.00 0.00 0.00 174.94 175.88 1j0g s ILE 57 N -0.13 0.51 0.00 2.92 -4.36 -0.69 -3.75 121.20 115.70 1j0g s ILE 57 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1j0g s ILE 57 Cb -0.13 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.99 1j0g s ILE 57 CO 0.02 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.55 1j0g n THR 58 N -0.53 0.00 -0.99 8.37 -2.24 -1.26 -2.71 114.28 114.93 1j0g n THR 58 Ca -0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1j0g n THR 58 Cb 0.66 -1.84 0.11 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.80 5.35 -1.13 3.42 3.02 -1.26 -3.83 115.26 118.02 1j0g n ASN 59 Ca 0.00 -3.42 -0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1j0g n ASN 59 Cb 0.00 -0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.27 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 -0.67 0.18 -3.26 6.41 2.03 -1.26 -5.05 116.55 114.93 1j0g n ASP 60 Ca 0.50 -1.91 -0.25 0.00 0.52 0.00 0.00 54.79 53.65 1j0g n ASP 60 Cb 1.07 -0.08 0.02 0.00 -0.72 0.00 0.00 41.12 41.41 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 0.24 -0.54 0.00 0.27 0.00 -1.25 -5.01 105.19 98.90 1j0g n GLY 61 Ca -0.05 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.11 1j0g n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0g n ILE 62 N -0.44 0.00 -3.37 -0.61 5.41 -1.26 -4.99 119.36 114.10 1j0g n ILE 62 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.72 1j0g n ILE 62 Cb 0.59 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.48 1j0g n ILE 62 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1j0g s GLY 63 N 0.00 -0.76 0.46 7.39 0.00 -1.26 -4.49 107.32 108.65 1j0g s GLY 63 Ca 0.00 1.78 -0.25 0.00 0.00 0.00 0.00 44.72 46.25 1j0g s GLY 63 CO 0.00 3.07 1.41 1.39 0.00 0.00 0.00 173.10 178.98 1j0g n ILE 64 N 5.42 2.85 -3.65 0.90 5.41 -1.25 -4.97 119.36 124.07 1j0g n ILE 64 Ca -0.05 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.81 1j0g n ILE 64 Cb 0.50 -1.81 -0.11 0.00 -0.71 0.00 0.00 39.64 37.52 1j0g n ILE 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1j0g s ASN 65 N -0.51 5.54 -0.21 4.38 3.84 -1.26 -4.97 114.94 121.76 1j0g s ASN 65 Ca 0.62 -1.38 -0.05 0.00 0.21 0.00 0.00 52.86 52.26 1j0g s ASN 65 Cb -0.45 -1.95 -0.18 0.00 -0.55 0.00 0.00 41.25 38.12 1j0g s ASN 65 CO 0.57 -0.46 2.78 -0.81 -2.79 0.00 0.00 177.10 176.38 1j0g n PRO 66 N 4.88 1.71 0.02 0.43 -0.04 -1.26 -4.08 135.00 136.66 1j0g n PRO 66 Ca -0.10 -0.92 -0.11 0.00 -0.04 0.00 0.00 63.50 62.32 1j0g n PRO 66 Cb 0.44 -2.00 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 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 0.51 -1.01 0.55 0.00 -2.00 -3.46 119.26 117.95 1j0g h ALA 67 Ca 0.23 -1.23 -0.56 0.00 0.00 0.00 0.00 54.91 53.35 1j0g h ALA 67 Cb 0.98 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1j0g h ALA 67 CO 0.52 1.37 -0.36 1.14 0.00 0.00 0.00 179.25 181.91 1j0g s GLN 68 N -2.63 2.32 0.68 0.00 0.00 -1.26 -5.10 119.66 113.67 1j0g s GLN 68 Ca -0.06 -1.87 -0.17 0.00 -0.00 0.00 0.00 55.36 53.26 1j0g s GLN 68 Cb 0.08 -2.14 0.01 0.00 0.00 0.00 0.00 33.01 30.96 1j0g s GLN 68 CO 0.83 -0.41 1.27 0.95 0.00 0.00 0.00 175.29 177.93 1j0g s THR 69 N -2.66 2.07 0.20 3.63 -4.23 -1.26 -4.31 115.64 109.06 1j0g s THR 69 Ca 0.39 0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1j0g s THR 69 Cb -0.01 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 71.12 1j0g s THR 69 CO 0.23 -0.01 1.61 0.00 -0.54 0.00 0.00 174.62 175.91 1j0g h ALA 70 N 0.26 0.22 -0.08 3.99 0.00 0.29 1.51 119.26 125.45 1j0g h ALA 70 Ca -0.50 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1j0g h ALA 70 Cb 1.33 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1j0g h ALA 70 CO 0.52 -0.53 0.19 0.78 0.00 0.00 0.00 179.25 180.21 1j0g h GLY 71 N -0.08 0.00 0.50 0.00 0.00 -1.61 1.67 103.07 103.55 1j0g h GLY 71 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1j0g h GLY 71 CO -0.63 0.00 -1.19 0.70 0.00 0.00 0.00 176.54 175.42 1j0g n ASN 72 N -3.30 0.56 -0.09 0.19 3.02 0.46 -3.24 115.26 112.86 1j0g n ASN 72 Ca -0.01 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.15 1j0g n ASN 72 Cb 0.28 0.98 -0.12 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.06 1.59 0.39 2.41 0.31 0.25 -2.94 118.33 118.29 1j0g n VAL 73 Ca 0.01 -0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.13 1j0g n VAL 73 Cb 0.47 -1.85 0.51 0.00 -0.91 0.00 0.00 33.84 32.06 1j0g n VAL 73 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1j0g h PHE 74 N -0.60 0.00 0.02 3.52 -0.00 0.19 0.16 116.94 120.22 1j0g h PHE 74 Ca -0.48 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.25 1j0g h PHE 74 Cb 1.64 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.56 1j0g h PHE 74 CO 0.04 0.00 -1.28 1.25 -0.00 0.00 0.00 178.31 178.32 1j0g h LEU 75 N 0.00 0.05 -0.43 2.10 5.85 -1.70 0.35 115.31 121.52 1j0g h LEU 75 Ca 0.00 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1j0g h LEU 75 Cb 0.40 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1j0g h LEU 75 CO 0.00 1.51 0.04 0.07 -0.34 0.00 0.00 178.44 179.72 1j0g h LYS 76 N -0.88 0.74 0.00 1.25 2.10 -1.43 -3.29 116.57 115.07 1j0g h LYS 76 Ca -0.34 -0.22 -0.16 0.00 -2.00 0.00 0.00 60.65 57.93 1j0g h LYS 76 Cb 1.38 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 1j0g h LYS 76 CO -0.16 0.79 -0.88 0.45 -2.00 0.00 0.00 179.45 177.64 1j0g h HIS 77 N 0.59 0.02 0.00 0.07 3.86 -0.86 -3.51 115.15 115.31 1j0g h HIS 77 Ca 0.13 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1j0g h HIS 77 Cb 0.43 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1j0g h HIS 77 CO 0.03 1.34 0.00 0.41 0.86 0.00 0.00 177.93 180.58 1j0g n GLY 78 N 1.50 1.17 1.30 2.45 0.00 0.12 -4.82 105.19 106.91 1j0g n GLY 78 Ca -0.25 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 3.80 -4.06 1.61 3.41 -1.13 -4.41 113.62 112.84 1j0g n SER 79 Ca 0.00 -2.00 -0.32 0.00 -0.26 0.00 0.00 58.87 56.29 1j0g n SER 79 Cb 0.00 -0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.18 2.02 0.24 4.33 2.02 -1.26 -0.77 118.70 124.08 1j0g s GLU 80 Ca 0.46 -1.52 -0.08 0.00 0.02 0.00 0.00 54.97 53.85 1j0g s GLU 80 Cb 0.25 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1j0g s GLU 80 CO 0.33 -0.70 0.35 -0.51 0.02 0.00 0.00 175.26 174.76 1j0g s LEU 81 N 1.05 0.68 0.01 1.80 1.43 -1.23 -4.69 118.68 117.73 1j0g s LEU 81 Ca -0.02 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.00 1j0g s LEU 81 Cb -0.20 1.24 -0.02 0.00 0.03 0.00 0.00 46.19 47.25 1j0g s LEU 81 CO -0.06 -1.05 -0.20 -0.13 0.23 0.00 0.00 176.35 175.15 1j0g s ARG 82 N -3.99 1.45 -0.41 1.70 0.52 -1.10 -3.94 118.95 113.17 1j0g s ARG 82 Ca 0.29 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.52 1j0g s ARG 82 Cb 0.02 -1.47 0.02 0.00 0.52 0.00 0.00 34.95 34.04 1j0g s ARG 82 CO 0.11 0.39 0.45 -1.50 0.02 0.00 0.00 175.30 174.77 1j0g s ILE 83 N -0.63 5.07 0.19 1.52 2.07 -1.25 -1.71 121.20 126.46 1j0g s ILE 83 Ca 0.07 -0.26 0.05 0.00 -1.41 0.00 0.00 60.65 59.10 1j0g s ILE 83 Cb -0.08 -4.03 -0.04 0.00 0.13 0.00 0.00 42.46 38.44 1j0g s ILE 83 CO 0.01 -0.40 0.18 0.27 -1.91 0.00 0.00 174.94 173.09 1j0g s ILE 84 N 2.18 4.63 -0.35 2.00 -5.25 0.49 -4.07 121.20 120.83 1j0g s ILE 84 Ca 0.13 -1.11 -0.29 0.00 -0.99 0.00 0.00 60.65 58.39 1j0g s ILE 84 Cb -0.17 -3.41 0.00 0.00 2.95 0.00 0.00 42.46 41.83 1j0g s ILE 84 CO 0.14 -0.19 1.38 -2.16 -1.79 0.00 0.00 174.94 172.32 1j0g s PRO 85 N -3.37 3.73 -0.39 0.37 0.04 -1.26 0.96 135.00 135.08 1j0g s PRO 85 Ca 0.32 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 1j0g s PRO 85 Cb -0.10 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1j0g s PRO 85 CO 0.25 -1.37 2.25 0.50 0.04 0.00 0.00 177.00 178.68 1j0g s ARG 86 N 4.61 2.61 -0.40 4.56 3.52 -1.21 -4.80 118.95 127.84 1j0g s ARG 86 Ca 0.60 1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 57.75 1j0g s ARG 86 Cb -0.16 -4.46 0.10 0.00 -1.56 0.00 0.00 34.95 28.87 1j0g s ARG 86 CO 0.28 -2.71 0.18 0.34 -0.81 0.00 0.00 175.30 172.59 1j0g s ASP 87 N 10.02 5.23 0.00 -2.12 -1.08 -1.26 -4.43 116.67 123.02 1j0g s ASP 87 Ca 0.95 -1.94 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 1j0g s ASP 87 Cb -0.23 -1.82 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1j0g s ASP 87 CO 0.30 -0.51 0.00 -2.11 0.52 0.00 0.00 175.17 173.36 1j0g n ARG 88 N 4.61 0.00 -3.52 4.34 -4.01 -1.26 -5.10 116.66 111.71 1j0g n ARG 88 Ca -0.03 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.41 1j0g n ARG 88 Cb 0.42 -0.01 -0.06 0.00 -3.04 0.00 0.00 32.46 29.76 1j0g n ARG 88 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1j0g s VAL 89 N -1.97 5.05 0.00 8.89 0.11 -1.26 -4.94 120.40 126.28 1j0g s VAL 89 Ca 0.00 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1j0g s VAL 89 Cb 0.00 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 1j0g s VAL 89 CO 0.00 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1j0g n GLY 90 N 1.51 -1.39 2.20 6.54 0.00 -1.26 -4.99 105.19 107.81 1j0g n GLY 90 Ca -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.72 -3.66 0.00 1.61 2.88 -1.26 -5.13 113.62 107.34 1j0g n SER 91 Ca 0.00 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1j0g n SER 91 Cb 0.00 3.43 0.00 0.00 -0.75 0.00 0.00 64.21 66.89 1j0g n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81