#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e12 s PRO 2 N 0.00 4.18 -0.22 2.12 0.02 -1.26 -4.97 135.00 134.87 2e12 s PRO 2 Ca 0.00 2.32 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 2e12 s PRO 2 Cb 0.00 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 2e12 s PRO 2 CO 0.00 -0.38 0.47 0.15 -0.33 0.00 0.00 177.00 176.91 2e12 s LYS 3 N -2.00 4.15 0.40 5.54 1.02 -1.26 -5.04 119.74 122.55 2e12 s LYS 3 Ca 0.52 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.73 2e12 s LYS 3 Cb -0.42 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 2e12 s LYS 3 CO 0.55 -0.16 0.73 -0.47 -0.92 0.00 0.00 175.35 175.08 2e12 s TYR 4 N 1.68 3.49 -0.19 3.18 5.04 -1.26 -2.17 117.35 127.12 2e12 s TYR 4 Ca 0.21 0.89 -0.17 0.00 -2.44 0.00 0.00 57.07 55.57 2e12 s TYR 4 Cb -0.15 -2.33 0.05 0.00 0.35 0.00 0.00 41.96 39.88 2e12 s TYR 4 CO 0.09 -0.09 0.51 0.00 -1.34 0.00 0.00 175.55 174.72 2e12 s ALA 5 N -2.40 -1.27 0.57 3.97 0.00 -0.48 -4.82 121.76 117.32 2e12 s ALA 5 Ca 0.49 1.52 0.26 0.00 0.00 0.00 0.00 51.96 54.22 2e12 s ALA 5 Cb -0.10 -0.89 1.56 0.00 0.00 0.00 0.00 23.12 23.69 2e12 s ALA 5 CO 0.34 -0.25 2.12 -1.35 0.00 0.00 0.00 175.76 176.62 2e12 h PRO 6 N 5.67 0.00 -2.96 0.00 0.11 -1.99 -3.37 132.00 129.47 2e12 h PRO 6 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 2e12 h PRO 6 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 2e12 h PRO 6 CO 0.20 0.00 -0.27 -1.01 -0.21 0.00 0.00 178.00 176.71 2e12 s HIS 7 N -4.79 -0.25 0.18 0.65 3.76 -1.26 -4.83 115.29 108.75 2e12 s HIS 7 Ca -0.05 0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2e12 s HIS 7 Cb 0.16 0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.92 2e12 s HIS 7 CO 0.60 -0.34 0.00 0.14 -0.85 0.00 0.00 174.74 174.30 2e12 s VAL 8 N -0.90 0.72 -0.06 -0.90 -7.23 -1.26 -4.82 120.40 105.95 2e12 s VAL 8 Ca -0.10 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 2e12 s VAL 8 Cb -0.04 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2e12 s VAL 8 CO 0.03 -0.44 0.26 -0.31 -0.31 0.00 0.00 175.10 174.34 2e12 s TYR 9 N -3.63 -0.21 0.00 2.82 2.02 -0.65 -4.83 117.35 112.86 2e12 s TYR 9 Ca 0.25 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 2e12 s TYR 9 Cb 0.06 0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.70 2e12 s TYR 9 CO 0.05 -0.24 0.24 0.25 -1.57 0.00 0.00 175.55 174.28 2e12 n THR 10 N 2.19 0.03 -2.66 -0.71 -2.24 -1.26 -0.69 114.28 108.94 2e12 n THR 10 Ca -0.17 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 2e12 n THR 10 Cb 0.57 1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 70.29 2e12 n THR 10 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2e12 s GLU 11 N -0.03 4.68 0.27 -0.78 2.02 -1.26 -4.90 118.70 118.70 2e12 s GLU 11 Ca 0.00 1.54 -0.00 0.00 0.02 0.00 0.00 54.97 56.53 2e12 s GLU 11 Cb 0.00 -3.34 0.62 0.00 0.10 0.00 0.00 34.13 31.52 2e12 s GLU 11 CO 0.00 0.20 1.67 1.96 0.02 0.00 0.00 175.26 179.11 2e12 h GLN 12 N 5.31 0.28 -0.51 1.61 1.08 -1.98 0.11 115.11 121.01 2e12 h GLN 12 Ca -0.43 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.74 2e12 h GLN 12 Cb 1.21 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 2e12 h GLN 12 CO 0.72 0.18 0.28 0.00 -0.95 0.00 0.00 178.83 179.05 2e12 h ALA 13 N 1.70 0.65 -0.36 3.87 0.00 -1.99 0.23 119.26 123.36 2e12 h ALA 13 Ca 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.34 2e12 h ALA 13 Cb 0.95 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2e12 h ALA 13 CO -0.57 0.17 0.21 1.96 0.00 0.00 0.00 179.25 181.03 2e12 h GLN 14 N 0.67 0.42 -0.60 0.00 4.20 -1.28 -1.59 115.11 116.93 2e12 h GLN 14 Ca 0.18 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2e12 h GLN 14 Cb 0.05 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2e12 h GLN 14 CO -0.03 0.28 0.37 0.82 -0.67 0.00 0.00 178.83 179.60 2e12 h ILE 15 N 0.44 1.07 -0.75 2.54 2.04 -0.47 -2.15 117.51 120.23 2e12 h ILE 15 Ca 0.14 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.88 2e12 h ILE 15 Cb -0.00 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 2e12 h ILE 15 CO -0.06 0.13 0.33 0.00 0.00 0.00 0.00 178.15 178.54 2e12 h ALA 16 N 1.26 1.05 -0.16 1.87 0.00 0.20 -0.71 119.26 122.78 2e12 h ALA 16 Ca 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2e12 h ALA 16 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2e12 h ALA 16 CO -0.10 -0.16 0.05 1.15 0.00 0.00 0.00 179.25 180.19 2e12 h THR 17 N 0.50 1.18 -0.77 0.00 2.02 -0.74 -2.15 112.91 112.94 2e12 h THR 17 Ca 0.40 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2e12 h THR 17 Cb 0.56 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2e12 h THR 17 CO -0.36 0.17 0.31 -0.07 0.37 0.00 0.00 175.52 175.94 2e12 h LEU 18 N 0.09 1.05 -1.04 2.58 3.38 -0.77 -1.71 115.31 118.89 2e12 h LEU 18 Ca 0.05 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2e12 h LEU 18 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2e12 h LEU 18 CO -0.00 0.93 -0.43 -0.33 0.09 0.00 0.00 178.44 178.70 2e12 h GLU 19 N 1.12 0.00 0.00 1.13 5.08 -1.12 -2.23 114.58 118.56 2e12 h GLU 19 Ca 0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 2e12 h GLU 19 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2e12 h GLU 19 CO -0.02 0.43 -0.84 1.25 -1.00 0.00 0.00 179.01 178.83 2e12 h HIS 20 N 0.00 0.02 -0.35 4.33 2.76 -0.80 -2.92 115.15 118.19 2e12 h HIS 20 Ca -0.00 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 2e12 h HIS 20 Cb 0.85 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2e12 h HIS 20 CO 0.00 0.84 -0.17 -1.49 -1.30 0.00 0.00 177.93 175.81 2e12 h TRP 21 N 0.01 0.84 0.00 5.26 -0.00 -1.01 -2.23 115.95 118.81 2e12 h TRP 21 Ca -0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 58.89 58.65 2e12 h TRP 21 Cb 1.48 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 30.44 2e12 h TRP 21 CO 0.00 0.93 -0.08 0.28 -0.00 0.00 0.00 178.44 179.57 2e12 h VAL 22 N 0.50 0.62 0.04 1.49 2.07 -1.39 -1.36 116.25 118.22 2e12 h VAL 22 Ca 0.08 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 2e12 h VAL 22 Cb 0.71 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2e12 h VAL 22 CO 0.05 0.08 -0.40 0.50 0.02 0.00 0.00 177.57 177.82 2e12 h LYS 23 N 0.00 0.20 0.12 1.57 3.64 -1.26 -3.19 116.57 117.66 2e12 h LYS 23 Ca -0.00 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2e12 h LYS 23 Cb 0.20 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2e12 h LYS 23 CO 0.01 1.05 -0.06 -0.07 -2.27 0.00 0.00 179.45 178.11 2e12 h LEU 24 N -0.51 -0.14 -2.81 5.20 3.38 -1.16 -2.48 115.31 116.80 2e12 h LEU 24 Ca -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2e12 h LEU 24 Cb 1.22 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2e12 h LEU 24 CO 0.08 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.94 2e12 n LEU 25 N -5.03 4.22 -0.07 1.67 4.77 -0.54 -3.37 117.00 118.65 2e12 n LEU 25 Ca -0.09 -1.94 -0.10 0.00 -0.03 0.00 0.00 56.01 53.86 2e12 n LEU 25 Cb 0.19 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2e12 n LEU 25 CO 0.33 0.78 -0.98 -0.67 -1.33 0.00 0.00 177.39 175.52 2e12 n ASP 26 N 1.28 2.77 -0.34 -1.43 2.03 -0.93 -4.38 116.55 115.55 2e12 n ASP 26 Ca 0.00 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2e12 n ASP 26 Cb 0.45 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2e12 n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e12 n GLY 27 N 2.74 0.47 2.97 0.27 0.00 -1.22 -4.79 105.19 105.63 2e12 n GLY 27 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2e12 n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2e12 n GLN 28 N -0.03 -1.24 -4.00 1.61 0.00 -1.26 -4.86 117.38 107.60 2e12 n GLN 28 Ca 0.00 0.06 -0.37 0.00 -0.00 0.00 0.00 57.00 56.70 2e12 n GLN 28 Cb 0.11 -2.99 -0.07 0.00 0.00 0.00 0.00 30.24 27.29 2e12 n GLN 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2e12 s GLU 29 N -4.49 3.34 0.04 3.69 -6.30 -1.26 -4.61 118.70 109.10 2e12 s GLU 29 Ca 0.38 -0.20 -0.31 0.00 -2.50 0.00 0.00 54.97 52.34 2e12 s GLU 29 Cb -0.22 -3.10 -0.16 0.00 0.00 0.00 0.00 34.13 30.65 2e12 s GLU 29 CO 0.47 0.76 0.80 2.89 0.02 0.00 0.00 175.26 180.20 2e12 n ARG 30 N 2.03 0.00 -4.22 4.30 0.00 -1.26 -4.75 116.66 112.75 2e12 n ARG 30 Ca -0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.51 2e12 n ARG 30 Cb 0.55 -1.17 -0.09 0.00 -0.00 0.00 0.00 32.46 31.74 2e12 n ARG 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2e12 s VAL 31 N -0.19 0.00 -0.37 8.89 -7.23 -0.76 -2.77 120.40 117.98 2e12 s VAL 31 Ca 0.72 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2e12 s VAL 31 Cb -1.01 -2.50 0.12 0.00 0.56 0.00 0.00 36.38 33.55 2e12 s VAL 31 CO 0.48 0.00 0.16 -0.60 -0.31 0.00 0.00 175.10 174.83 2e12 s ARG 32 N -3.92 0.99 0.00 4.82 3.52 -0.33 -1.53 118.95 122.50 2e12 s ARG 32 Ca 0.39 -1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 54.21 2e12 s ARG 32 Cb 0.05 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2e12 s ARG 32 CO 0.17 -1.07 0.79 0.42 -0.81 0.00 0.00 175.30 174.79 2e12 s ILE 33 N 1.01 4.85 -0.13 4.11 1.01 0.18 -3.03 121.20 129.18 2e12 s ILE 33 Ca 0.14 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.43 2e12 s ILE 33 Cb -0.21 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 2e12 s ILE 33 CO -0.12 0.29 -0.10 -0.70 0.00 0.00 0.00 174.94 174.32 2e12 s GLU 34 N 0.40 3.45 0.39 2.79 2.12 -0.91 -0.11 118.70 126.83 2e12 s GLU 34 Ca 0.41 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 55.17 2e12 s GLU 34 Cb -0.20 -2.72 0.06 0.00 0.26 0.00 0.00 34.13 31.53 2e12 s GLU 34 CO 0.22 0.25 0.48 1.28 -0.54 0.00 0.00 175.26 176.96 2e12 n LEU 35 N 3.45 0.00 -0.07 2.70 4.77 -0.78 -1.19 117.00 125.88 2e12 n LEU 35 Ca -0.18 -1.79 -0.10 0.00 -0.03 0.00 0.00 56.01 53.91 2e12 n LEU 35 Cb 0.53 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2e12 n LEU 35 CO 0.31 -0.60 0.91 -2.24 -1.33 0.00 0.00 177.39 174.44 2e12 h ASP 36 N 0.17 0.32 0.29 -1.43 2.03 -1.15 -2.89 116.42 113.77 2e12 h ASP 36 Ca -0.20 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2e12 h ASP 36 Cb 0.86 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 2e12 h ASP 36 CO 0.30 0.34 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 2e12 n ASP 37 N -4.83 0.00 0.00 4.15 5.68 -1.26 -4.82 116.55 115.47 2e12 n ASP 37 Ca -0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 2e12 n ASP 37 Cb 0.09 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 2e12 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2e12 n GLY 38 N 0.19 0.49 3.71 6.12 0.00 -1.09 -5.07 105.19 109.54 2e12 n GLY 38 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2e12 n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e12 n SER 39 N 0.00 1.53 -3.92 1.61 3.41 -1.26 -4.78 113.62 110.20 2e12 n SER 39 Ca 0.00 0.70 -0.25 0.00 -0.26 0.00 0.00 58.87 59.06 2e12 n SER 39 Cb 0.00 -1.53 -0.17 0.00 -0.26 0.00 0.00 64.21 62.25 2e12 n SER 39 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2e12 s MET 40 N -3.77 1.40 -0.19 4.33 -1.94 -1.26 -1.86 119.30 116.02 2e12 s MET 40 Ca 0.78 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.52 2e12 s MET 40 Cb -0.33 -1.39 0.04 0.00 2.01 0.00 0.00 34.83 35.16 2e12 s MET 40 CO 0.46 -0.17 -0.11 -1.50 -0.01 0.00 0.00 175.02 173.69 2e12 s ILE 41 N 1.35 1.61 0.09 2.53 1.10 0.84 -4.99 121.20 123.73 2e12 s ILE 41 Ca -0.02 -0.93 0.07 0.00 -0.51 0.00 0.00 60.65 59.26 2e12 s ILE 41 Cb -0.14 -1.66 -0.04 0.00 0.15 0.00 0.00 42.46 40.78 2e12 s ILE 41 CO -0.04 0.22 -0.13 0.00 -2.11 0.00 0.00 174.94 172.88 2e12 s ALA 42 N 1.42 2.84 0.00 1.50 0.00 -1.26 0.47 121.76 126.73 2e12 s ALA 42 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2e12 s ALA 42 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2e12 s ALA 42 CO -0.09 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2e12 n GLY 43 N 0.93 -0.30 3.83 0.00 0.00 -0.59 -4.23 105.19 104.82 2e12 n GLY 43 Ca -0.15 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 2e12 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e12 s THR 44 N -2.98 5.36 -0.53 2.61 2.01 -0.93 -1.82 115.64 119.35 2e12 s THR 44 Ca 0.00 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 2e12 s THR 44 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2e12 s THR 44 CO 0.00 0.58 1.57 -0.69 -0.69 0.00 0.00 174.62 175.39 2e12 s VAL 45 N -0.74 3.65 -0.11 3.82 1.01 -1.26 -2.00 120.40 124.77 2e12 s VAL 45 Ca 0.13 0.55 0.16 0.00 0.00 0.00 0.00 61.98 62.82 2e12 s VAL 45 Cb -0.12 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 2e12 s VAL 45 CO 0.03 -0.99 0.52 0.00 0.00 0.00 0.00 175.10 174.66 2e12 n ALA 46 N 10.33 1.66 -3.68 5.51 0.00 -0.46 -4.78 120.51 129.09 2e12 n ALA 46 Ca 0.16 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.49 2e12 n ALA 46 Cb 0.49 -0.68 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 2e12 n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2e12 s VAL 47 N -2.69 0.08 0.52 0.00 1.01 -1.05 -4.96 120.40 113.32 2e12 s VAL 47 Ca -0.06 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2e12 s VAL 47 Cb 0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2e12 s VAL 47 CO 0.83 -0.03 1.19 -0.13 0.00 0.00 0.00 175.10 176.96 2e12 s ARG 48 N 2.08 3.39 0.36 2.72 0.52 -1.26 -1.83 118.95 124.94 2e12 s ARG 48 Ca 0.03 1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 56.80 2e12 s ARG 48 Cb -0.14 -2.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 2e12 s ARG 48 CO -0.06 -0.86 1.08 -1.25 0.02 0.00 0.00 175.30 174.23 2e12 s PRO 49 N -3.01 4.29 -0.04 3.54 0.04 -1.26 -4.76 135.00 133.80 2e12 s PRO 49 Ca 0.70 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 2e12 s PRO 49 Cb -0.30 -2.76 0.03 0.00 0.04 0.00 0.00 34.50 31.51 2e12 s PRO 49 CO 0.34 -0.06 0.08 0.95 0.04 0.00 0.00 177.00 178.35 2e12 s THR 50 N -1.46 -0.08 0.25 1.26 -4.23 -1.26 -4.91 115.64 105.21 2e12 s THR 50 Ca 0.54 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.99 2e12 s THR 50 Cb -0.27 -0.16 -0.09 0.00 1.34 0.00 0.00 72.50 73.32 2e12 s THR 50 CO 0.34 0.10 1.14 -0.63 -0.54 0.00 0.00 174.62 175.03 2e12 s ILE 51 N 1.32 3.49 0.23 2.99 1.01 -1.26 -4.35 121.20 124.64 2e12 s ILE 51 Ca -0.07 1.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 2e12 s ILE 51 Cb -0.12 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2e12 s ILE 51 CO -0.04 0.29 0.24 -1.10 0.00 0.00 0.00 174.94 174.33 2e12 s GLN 52 N -1.02 1.37 -0.06 2.79 -0.21 -0.15 -4.98 119.66 117.40 2e12 s GLN 52 Ca 0.48 -1.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.10 2e12 s GLN 52 Cb -0.32 0.33 -0.05 0.00 1.00 0.00 0.00 33.01 33.96 2e12 s GLN 52 CO 0.40 -0.49 0.44 0.95 -2.12 0.00 0.00 175.29 174.47 2e12 s THR 53 N -4.00 5.10 0.25 -0.19 -4.23 -1.26 -2.68 115.64 108.64 2e12 s THR 53 Ca 0.35 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 2e12 s THR 53 Cb 0.05 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2e12 s THR 53 CO 0.13 0.46 0.14 -0.31 -0.54 0.00 0.00 174.62 174.50 2e12 s TYR 54 N -0.24 1.43 0.04 3.99 2.02 -0.42 -4.78 117.35 119.38 2e12 s TYR 54 Ca 0.24 -1.36 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 2e12 s TYR 54 Cb -0.16 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2e12 s TYR 54 CO 0.12 -0.55 -0.11 1.03 -1.57 0.00 0.00 175.55 174.46 2e12 s ARG 55 N -3.97 0.71 0.56 -0.62 0.52 -0.92 -1.71 118.95 113.52 2e12 s ARG 55 Ca 0.38 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 2e12 s ARG 55 Cb 0.06 -0.64 0.07 0.00 0.52 0.00 0.00 34.95 34.97 2e12 s ARG 55 CO 0.15 0.15 0.61 -0.40 0.02 0.00 0.00 175.30 175.83 2e12 n ASP 56 N 1.85 2.40 0.31 0.23 5.68 -0.66 -1.38 116.55 124.97 2e12 n ASP 56 Ca -0.19 -2.69 0.18 0.00 -0.50 0.00 0.00 54.79 51.59 2e12 n ASP 56 Cb 0.55 -0.24 1.01 0.00 -1.14 0.00 0.00 41.12 41.31 2e12 n ASP 56 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2e12 h GLU 57 N 0.00 0.00 -0.46 0.11 4.81 -1.88 0.36 114.58 117.52 2e12 h GLU 57 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2e12 h GLU 57 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2e12 h GLU 57 CO 0.46 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.79 2e12 n GLN 58 N -3.51 2.06 -1.46 1.92 1.13 -1.26 -4.92 117.38 111.34 2e12 n GLN 58 Ca -0.03 -1.62 -0.16 0.00 -1.94 0.00 0.00 57.00 53.26 2e12 n GLN 58 Cb 0.10 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.02 2e12 n GLN 58 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2e12 n GLU 59 N 0.81 -1.09 -2.81 -1.09 -0.58 0.13 -5.00 120.64 111.01 2e12 n GLU 59 Ca 0.15 1.05 -0.37 0.00 -0.42 0.00 0.00 57.16 57.57 2e12 n GLU 59 Cb 0.39 -5.21 -0.06 0.00 -0.57 0.00 0.00 31.44 25.98 2e12 n GLU 59 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2e12 s ARG 60 N -3.33 4.58 -0.14 3.49 0.52 -1.26 -4.75 118.95 118.05 2e12 s ARG 60 Ca 0.00 1.30 -0.05 0.00 -0.52 0.00 0.00 55.73 56.46 2e12 s ARG 60 Cb 0.00 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2e12 s ARG 60 CO 0.00 0.31 0.01 -2.00 0.02 0.00 0.00 175.30 173.65 2e12 s GLU 61 N -1.96 3.58 0.12 3.54 2.12 -1.26 -1.66 118.70 123.18 2e12 s GLU 61 Ca 0.49 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 55.32 2e12 s GLU 61 Cb -0.19 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.24 2e12 s GLU 61 CO 0.24 0.40 0.41 0.41 -0.54 0.00 0.00 175.26 176.19 2e12 n GLY 62 N 3.08 1.24 3.93 -1.50 0.00 -0.69 -4.85 105.19 106.40 2e12 n GLY 62 Ca -0.18 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 2e12 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e12 s SER 63 N -2.02 6.37 0.00 1.61 0.01 0.14 -1.31 113.70 118.50 2e12 s SER 63 Ca 0.09 0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.56 2e12 s SER 63 Cb -0.02 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2e12 s SER 63 CO 0.04 0.07 0.35 -3.20 0.41 0.00 0.00 173.24 170.91 2e12 n ASN 64 N -0.25 -0.35 -3.61 2.44 2.85 -1.09 -1.64 115.26 113.60 2e12 n ASN 64 Ca -0.05 -1.09 -0.01 0.00 -0.11 0.00 0.00 54.58 53.31 2e12 n ASN 64 Cb 0.53 0.55 -0.01 0.00 1.24 0.00 0.00 39.78 42.09 2e12 n ASN 64 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2e12 s GLY 65 N -2.93 -0.33 0.07 8.20 0.00 -1.26 -0.98 107.32 110.09 2e12 s GLY 65 Ca 0.08 1.34 0.05 0.00 0.00 0.00 0.00 44.72 46.19 2e12 s GLY 65 CO 0.00 0.40 -0.14 1.20 0.00 0.00 0.00 173.10 174.55 2e12 s GLN 66 N -2.31 0.83 0.05 2.90 -0.21 -1.26 -0.74 119.66 118.92 2e12 s GLN 66 Ca 0.12 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.53 2e12 s GLN 66 Cb 0.02 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 2e12 s GLN 66 CO -0.04 0.19 -0.04 -0.48 -2.12 0.00 0.00 175.29 172.80 2e12 s LEU 67 N -1.75 2.43 -0.12 2.90 2.34 -0.99 -4.09 118.68 119.39 2e12 s LEU 67 Ca -0.02 -0.87 0.01 0.00 0.06 0.00 0.00 54.13 53.32 2e12 s LEU 67 Cb -0.10 0.09 -0.01 0.00 -0.56 0.00 0.00 46.19 45.62 2e12 s LEU 67 CO 0.02 -0.48 -0.17 -0.60 -1.06 0.00 0.00 176.35 174.07 2e12 s ARG 68 N -3.23 3.26 -0.16 1.48 3.52 -0.76 -1.57 118.95 121.50 2e12 s ARG 68 Ca 0.02 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2e12 s ARG 68 Cb 0.02 -2.53 -0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2e12 s ARG 68 CO -0.06 0.18 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.98 2e12 s ILE 69 N 0.39 2.82 -0.24 4.11 2.07 -0.14 -1.35 121.20 128.86 2e12 s ILE 69 Ca -0.13 -0.72 -0.15 0.00 -1.41 0.00 0.00 60.65 58.24 2e12 s ILE 69 Cb -0.17 -2.20 -0.04 0.00 0.13 0.00 0.00 42.46 40.18 2e12 s ILE 69 CO 0.06 0.51 0.38 -1.81 -1.91 0.00 0.00 174.94 172.17 2e12 s ASP 70 N 0.81 6.34 1.12 4.50 -0.00 -0.85 -1.58 116.67 127.00 2e12 s ASP 70 Ca -0.05 0.40 -0.12 0.00 -0.00 0.00 0.00 52.55 52.77 2e12 s ASP 70 Cb -0.15 -2.22 0.25 0.00 -0.00 0.00 0.00 42.92 40.80 2e12 s ASP 70 CO 0.00 -0.12 1.00 1.41 -0.00 0.00 0.00 175.17 177.47 2e12 n HIS 71 N 4.87 -0.79 0.26 4.23 8.25 0.31 -2.19 115.22 130.16 2e12 n HIS 71 Ca -0.09 -0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.39 2e12 n HIS 71 Cb 0.51 -1.77 0.17 0.00 1.12 0.00 0.00 29.99 30.03 2e12 n HIS 71 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2e12 n LEU 72 N -4.66 2.92 -4.93 2.41 4.77 -1.26 -4.32 117.00 111.94 2e12 n LEU 72 Ca 0.05 -1.48 -0.25 0.00 -0.03 0.00 0.00 56.01 54.30 2e12 n LEU 72 Cb 0.54 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2e12 n LEU 72 CO 0.55 0.42 0.50 1.51 -1.33 0.00 0.00 177.39 179.03 2e12 s ASP 73 N -0.41 5.46 0.30 -1.43 -4.77 -1.26 -4.95 116.67 109.61 2e12 s ASP 73 Ca 0.24 0.54 0.05 0.00 -3.30 0.00 0.00 52.55 50.08 2e12 s ASP 73 Cb 0.17 -1.50 0.73 0.00 -1.09 0.00 0.00 42.92 41.23 2e12 s ASP 73 CO 0.08 -1.11 1.77 0.00 0.70 0.00 0.00 175.17 176.60 2e12 h ALA 74 N -0.15 1.62 -0.52 2.11 0.00 -2.04 -0.49 119.26 119.80 2e12 h ALA 74 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2e12 h ALA 74 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2e12 h ALA 74 CO 0.59 -0.09 0.00 0.43 0.00 0.00 0.00 179.25 180.19 2e12 n SER 75 N -4.80 4.47 -3.58 0.00 7.64 -1.26 -4.98 113.62 111.11 2e12 n SER 75 Ca 0.23 -2.55 -0.22 0.00 1.01 0.00 0.00 58.87 57.34 2e12 n SER 75 Cb 0.58 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2e12 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e12 n GLN 76 N 0.75 -0.96 -1.67 1.43 6.02 -0.19 -4.78 117.38 117.99 2e12 n GLN 76 Ca 0.22 0.38 -0.50 0.00 -0.01 0.00 0.00 57.00 57.10 2e12 n GLN 76 Cb 0.89 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 30.52 2e12 n GLN 76 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2e12 n GLU 77 N -2.51 1.88 -2.77 -1.09 2.13 -1.26 -4.39 120.64 112.63 2e12 n GLU 77 Ca -0.20 0.68 -0.41 0.00 0.66 0.00 0.00 57.16 57.90 2e12 n GLU 77 Cb 0.48 -2.46 -0.05 0.00 0.27 0.00 0.00 31.44 29.69 2e12 n GLU 77 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2e12 s PRO 78 N 2.61 4.70 -0.11 5.31 0.04 -1.26 -0.53 135.00 145.76 2e12 s PRO 78 Ca 0.88 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 2e12 s PRO 78 Cb -0.78 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 30.46 2e12 s PRO 78 CO 0.49 0.30 0.13 -1.14 0.04 0.00 0.00 177.00 176.82 2e12 s GLN 79 N -0.31 0.03 0.06 4.56 0.74 -0.62 -4.98 119.66 119.16 2e12 s GLN 79 Ca 0.44 0.32 -0.19 0.00 0.05 0.00 0.00 55.36 55.98 2e12 s GLN 79 Cb -0.24 -0.82 -0.07 0.00 1.10 0.00 0.00 33.01 32.99 2e12 s GLN 79 CO 0.29 -0.45 0.56 -1.58 -0.55 0.00 0.00 175.29 173.56 2e12 s TRP 80 N 2.23 3.80 0.07 1.67 0.52 -1.26 -0.97 118.94 125.00 2e12 s TRP 80 Ca 0.04 1.25 0.03 0.00 0.02 0.00 0.00 56.10 57.44 2e12 s TRP 80 Cb -0.13 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 2e12 s TRP 80 CO -0.07 0.58 -0.09 0.42 0.02 0.00 0.00 176.95 177.81 2e12 s ILE 81 N -1.07 0.76 -0.09 2.03 1.01 -0.61 -5.00 121.20 118.24 2e12 s ILE 81 Ca 0.29 -1.39 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 2e12 s ILE 81 Cb -0.19 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 2e12 s ILE 81 CO 0.18 -0.47 0.35 0.26 0.00 0.00 0.00 174.94 175.26 2e12 s TRP 82 N -1.97 3.58 0.47 3.97 0.52 -1.26 -2.34 118.94 121.91 2e12 s TRP 82 Ca -0.01 0.78 0.13 0.00 0.02 0.00 0.00 56.10 57.01 2e12 s TRP 82 Cb -0.06 -2.32 1.10 0.00 -1.15 0.00 0.00 33.47 31.04 2e12 s TRP 82 CO -0.00 0.42 2.10 0.52 0.02 0.00 0.00 176.95 180.01 2e12 h MET 83 N 5.80 0.24 0.00 4.98 2.86 -1.32 -2.39 114.93 125.10 2e12 h MET 83 Ca -0.46 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 2e12 h MET 83 Cb 1.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 2e12 h MET 83 CO 0.69 0.16 -0.03 0.38 1.06 0.00 0.00 176.91 179.16 2e12 h ASP 84 N 0.24 0.00 0.96 1.22 2.03 -1.95 -2.14 116.42 116.79 2e12 h ASP 84 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2e12 h ASP 84 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2e12 h ASP 84 CO -0.02 0.03 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 2e12 n ARG 85 N -3.29 0.06 -2.94 4.15 5.12 -0.90 -4.86 116.66 114.01 2e12 n ARG 85 Ca -0.02 0.12 -0.40 0.00 -1.93 0.00 0.00 57.85 55.62 2e12 n ARG 85 Cb 0.17 -1.59 -0.04 0.00 -1.16 0.00 0.00 32.46 29.84 2e12 n ARG 85 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2e12 s ILE 86 N -3.04 4.93 -0.24 0.55 1.01 -0.81 -0.54 121.20 123.06 2e12 s ILE 86 Ca 0.11 1.66 0.06 0.00 0.00 0.00 0.00 60.65 62.48 2e12 s ILE 86 Cb 0.15 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2e12 s ILE 86 CO 0.48 0.25 0.23 1.33 0.00 0.00 0.00 174.94 177.22 2e12 n VAL 87 N 3.61 0.00 -3.53 2.92 0.24 -0.34 -4.91 118.33 116.32 2e12 n VAL 87 Ca 0.01 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2e12 n VAL 87 Cb 0.51 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 2e12 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e12 s ALA 88 N -1.59 -1.90 -0.23 2.33 0.00 -1.16 -5.02 121.76 114.20 2e12 s ALA 88 Ca 0.02 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 2e12 s ALA 88 Cb 0.04 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.40 2e12 s ALA 88 CO 0.23 -0.61 0.31 0.08 0.00 0.00 0.00 175.76 175.77 2e12 s VAL 89 N -2.66 -0.48 0.17 0.00 1.01 -1.26 -2.14 120.40 115.03 2e12 s VAL 89 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.01 2e12 s VAL 89 Cb -0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2e12 s VAL 89 CO -0.07 -0.17 -0.09 -1.00 0.00 0.00 0.00 175.10 173.77 2e12 s HIS 90 N 2.45 2.65 0.00 5.22 3.76 -1.17 -4.97 115.29 123.23 2e12 s HIS 90 Ca 0.10 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 2e12 s HIS 90 Cb -0.15 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.23 2e12 s HIS 90 CO -0.15 0.50 0.00 -2.30 -0.85 0.00 0.00 174.74 171.94 2e12 n PRO 91 N 0.10 2.44 0.00 8.40 -0.02 -1.26 -1.18 135.00 143.48 2e12 n PRO 91 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2e12 n PRO 91 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2e12 n PRO 91 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2e12 n MET 92 N 0.00 0.00 0.00 -0.52 2.81 -1.12 -2.82 117.12 115.47 2e12 n MET 92 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2e12 n MET 92 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2e12 n MET 92 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18