#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1p s GLN 3 N 0.00 4.65 0.62 0.00 0.74 -1.26 -4.97 119.66 119.44 1m1p s GLN 3 Ca 0.00 1.39 -0.16 0.00 0.05 0.00 0.00 55.36 56.64 1m1p s GLN 3 Cb 0.00 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 1m1p s GLN 3 CO 0.00 0.18 1.10 0.15 -0.55 0.00 0.00 175.29 176.17 1m1p s LYS 4 N 0.15 3.04 0.33 1.67 -0.14 -1.26 -1.47 119.74 122.06 1m1p s LYS 4 Ca 0.47 1.41 0.01 0.00 -1.36 0.00 0.00 55.97 56.50 1m1p s LYS 4 Cb -0.23 -1.98 0.57 0.00 -1.68 0.00 0.00 37.83 34.52 1m1p s LYS 4 CO 0.29 -1.06 1.97 1.25 -0.76 0.00 0.00 175.35 177.03 1m1p h LEU 5 N 0.41 0.82 -0.34 3.17 5.85 -0.76 -1.20 115.31 123.26 1m1p h LEU 5 Ca -0.48 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.24 1m1p h LEU 5 Cb 1.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1m1p h LEU 5 CO 0.55 0.57 0.21 0.77 -0.34 0.00 0.00 178.44 180.20 1m1p h SER 6 N 0.96 0.34 -0.33 1.25 4.64 -1.35 -1.40 113.55 117.66 1m1p h SER 6 Ca 0.30 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1m1p h SER 6 Cb 0.02 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1m1p h SER 6 CO -0.09 0.25 -0.16 0.44 -0.87 0.00 0.00 176.83 176.41 1m1p h ASP 7 N 0.42 0.78 -0.33 4.97 3.32 -1.70 -0.44 116.42 123.45 1m1p h ASP 7 Ca 0.13 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1m1p h ASP 7 Cb -0.01 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1m1p h ASP 7 CO -0.05 0.94 0.20 0.15 -1.72 0.00 0.00 179.24 178.76 1m1p h PHE 8 N 0.70 0.38 -0.22 4.55 3.57 -1.06 -1.95 116.94 122.90 1m1p h PHE 8 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1m1p h PHE 8 Cb 0.65 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1m1p h PHE 8 CO 0.03 0.23 -0.34 0.45 -2.23 0.00 0.00 178.31 176.45 1m1p h HIS 9 N 0.41 0.55 0.00 0.41 3.86 -1.06 -3.01 115.15 116.31 1m1p h HIS 9 Ca 0.13 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1m1p h HIS 9 Cb -0.02 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1m1p h HIS 9 CO -0.07 0.76 0.00 0.00 0.86 0.00 0.00 177.93 179.48 1m1p h ALA 10 N 1.23 1.00 0.00 2.45 0.00 -0.71 -2.97 119.26 120.27 1m1p h ALA 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m1p h ALA 10 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1m1p h ALA 10 CO 0.06 0.00 0.87 1.05 0.00 0.00 0.00 179.25 181.23 1m1p h GLU 11 N 0.00 0.00 0.00 0.00 4.11 -1.22 0.12 114.58 117.59 1m1p h GLU 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1m1p h GLU 11 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1m1p h GLU 11 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1m1p n GLY 13 N -1.42 0.00 0.66 1.06 0.00 -1.12 -5.11 105.19 99.25 1m1p n GLY 13 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1m1p n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1p n GLY 14 N -0.16 -1.71 0.24 -0.02 0.00 0.03 -3.17 105.19 100.40 1m1p n GLY 14 Ca 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1m1p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1p n GLU 16 N -3.98 0.22 0.07 0.00 0.00 -1.26 -1.77 120.64 113.91 1m1p n GLU 16 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 57.16 57.30 1m1p n GLU 16 Cb 0.24 -1.50 0.45 0.00 0.00 0.00 0.00 31.44 30.63 1m1p n GLU 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m1p h SER 17 N 0.00 0.34 0.00 -1.84 4.64 -1.35 -3.32 113.55 112.02 1m1p h SER 17 Ca 0.00 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1m1p h SER 17 Cb 0.20 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1m1p h SER 17 CO 0.00 0.30 -1.37 0.00 -0.87 0.00 0.00 176.83 174.89 1m1p s HIS 19 N -2.18 2.94 0.11 0.00 3.76 -0.73 -4.07 115.29 115.13 1m1p s HIS 19 Ca -0.03 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 1m1p s HIS 19 Cb 0.02 -1.88 -0.10 0.00 1.11 0.00 0.00 32.58 31.73 1m1p s HIS 19 CO 0.24 -0.04 1.77 0.21 -0.85 0.00 0.00 174.74 176.07 1m1p s LYS 20 N 0.18 4.16 -1.91 1.40 2.20 -1.25 -1.59 119.74 122.93 1m1p s LYS 20 Ca -0.04 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1m1p s LYS 20 Cb -0.14 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1m1p s LYS 20 CO 0.04 -0.81 0.00 -0.25 -0.36 0.00 0.00 175.35 173.97 1m1p n ASP 21 N 5.64 -5.07 -0.51 1.43 8.00 -1.26 -1.79 116.55 123.00 1m1p n ASP 21 Ca 0.17 0.36 -0.07 0.00 0.71 0.00 0.00 54.79 55.97 1m1p n ASP 21 Cb 0.39 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.01 1m1p n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m1p n GLY 22 N -0.50 0.86 3.19 0.44 0.00 -0.62 -4.96 105.19 103.60 1m1p n GLY 22 Ca -0.20 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1m1p n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1p s THR 23 N -2.11 1.89 0.45 2.61 2.01 -0.74 -4.89 115.64 114.86 1m1p s THR 23 Ca 0.00 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1m1p s THR 23 Cb 0.00 -1.63 -0.08 0.00 0.01 0.00 0.00 72.50 70.80 1m1p s THR 23 CO 0.00 0.52 1.34 -2.16 -0.69 0.00 0.00 174.62 173.64 1m1p s PRO 24 N 0.31 3.70 0.70 4.92 0.04 -1.26 -3.88 135.00 139.53 1m1p s PRO 24 Ca -0.16 2.23 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 1m1p s PRO 24 Cb -0.17 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.81 1m1p s PRO 24 CO 0.07 -0.74 1.05 -1.54 0.04 0.00 0.00 177.00 175.89 1m1p s SER 25 N -0.75 5.16 0.17 6.66 1.04 -1.26 -5.01 113.70 119.72 1m1p s SER 25 Ca 0.62 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 1m1p s SER 25 Cb -0.40 -1.58 0.05 0.00 0.10 0.00 0.00 66.02 64.19 1m1p s SER 25 CO 0.50 -1.44 1.62 0.00 0.98 0.00 0.00 173.24 174.90 1m1p h ALA 26 N -0.61 0.78 -0.00 5.32 0.00 -2.05 -3.36 119.26 119.34 1m1p h ALA 26 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1m1p h ALA 26 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1m1p h ALA 26 CO 0.63 0.65 -0.01 -0.40 0.00 0.00 0.00 179.25 180.12 1m1p n ASP 27 N -4.18 1.19 0.00 0.00 3.85 -1.26 -5.01 116.55 111.14 1m1p n ASP 27 Ca 0.02 -1.09 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 1m1p n ASP 27 Cb 0.37 0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1m1p n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1m1p n GLY 28 N 0.25 0.54 0.20 6.12 0.00 -1.26 -4.92 105.19 106.12 1m1p n GLY 28 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1m1p n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1p h ALA 29 N 0.00 0.42 -0.68 4.61 0.00 -1.95 -1.76 119.26 119.91 1m1p h ALA 29 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1m1p h ALA 29 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1m1p h ALA 29 CO 0.00 0.34 0.38 0.35 0.00 0.00 0.00 179.25 180.32 1m1p h PHE 30 N 0.39 0.92 -0.58 0.00 3.57 -1.93 -1.52 116.94 117.79 1m1p h PHE 30 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1m1p h PHE 30 Cb 0.71 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1m1p h PHE 30 CO 0.06 0.65 0.20 0.93 -2.23 0.00 0.00 178.31 177.93 1m1p h GLU 31 N 0.93 0.88 -0.73 1.11 3.07 -1.68 -1.15 114.58 117.01 1m1p h GLU 31 Ca 0.24 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1m1p h GLU 31 Cb 0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.76 1m1p h GLU 31 CO -0.04 0.78 0.47 0.35 -1.40 0.00 0.00 179.01 179.17 1m1p h PHE 32 N 0.81 0.89 -0.86 4.33 3.57 -0.98 -0.91 116.94 123.79 1m1p h PHE 32 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1m1p h PHE 32 Cb 0.25 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1m1p h PHE 32 CO 0.01 0.54 0.48 0.00 -2.23 0.00 0.00 178.31 177.12 1m1p h ALA 33 N 1.28 1.23 -0.40 2.41 0.00 -0.94 -2.57 119.26 120.28 1m1p h ALA 33 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1m1p h ALA 33 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1m1p h ALA 33 CO -0.08 0.63 0.10 1.96 0.00 0.00 0.00 179.25 181.86 1m1p h GLN 34 N 1.20 0.63 -0.73 0.00 1.08 -0.49 -0.41 115.11 116.39 1m1p h GLN 34 Ca 0.30 -0.15 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1m1p h GLN 34 Cb 0.01 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.28 1m1p h GLN 34 CO -0.05 0.66 0.38 0.00 -0.95 0.00 0.00 178.83 178.87 1m1p h GLN 36 N 0.65 0.16 -0.81 0.00 4.20 -1.25 -1.35 115.11 116.72 1m1p h GLN 36 Ca 0.36 -0.11 0.10 0.00 0.06 0.00 0.00 58.65 59.05 1m1p h GLN 36 Cb 0.35 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1m1p h GLN 36 CO -0.26 0.71 0.53 1.03 -0.67 0.00 0.00 178.83 180.17 1m1p h SER 37 N 0.12 0.68 0.15 1.46 0.87 -0.26 -0.20 113.55 116.37 1m1p h SER 37 Ca -0.01 0.02 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 1m1p h SER 37 Cb 1.08 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 1m1p h SER 37 CO 0.09 0.41 -2.16 0.00 -0.53 0.00 0.00 176.83 174.64 1m1p n HIS 39 N -3.09 0.00 -0.76 0.00 8.25 -0.52 -5.12 115.22 113.99 1m1p n HIS 39 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1m1p n HIS 39 Cb 1.07 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1m1p n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m1p n GLY 40 N 1.41 -2.38 3.80 -1.41 0.00 -0.09 -5.01 105.19 101.51 1m1p n GLY 40 Ca 0.01 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 1m1p n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m1p s LYS 41 N -0.29 2.90 0.44 1.61 -0.14 -1.26 -4.26 119.74 118.75 1m1p s LYS 41 Ca 0.00 -0.87 0.13 0.00 -1.36 0.00 0.00 55.97 53.88 1m1p s LYS 41 Cb 0.00 -2.65 1.04 0.00 -1.68 0.00 0.00 37.83 34.54 1m1p s LYS 41 CO 0.00 0.49 2.01 -0.07 -0.76 0.00 0.00 175.35 177.01 1m1p h LEU 42 N 2.42 0.33 -2.18 3.17 3.38 -1.95 -1.34 115.31 119.15 1m1p h LEU 42 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1m1p h LEU 42 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1m1p h LEU 42 CO 0.63 0.21 0.00 0.77 0.09 0.00 0.00 178.44 180.14 1m1p h SER 43 N 0.38 0.00 -0.58 -0.43 4.64 -1.92 -1.95 113.55 113.69 1m1p h SER 43 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1m1p h SER 43 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1m1p h SER 43 CO -0.06 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.06 1m1p n GLU 44 N -3.00 3.18 -3.19 4.77 0.00 -0.50 -4.99 120.64 116.90 1m1p n GLU 44 Ca -0.01 -2.64 -0.19 0.00 0.00 0.00 0.00 57.16 54.32 1m1p n GLU 44 Cb 0.17 -1.65 -0.00 0.00 0.00 0.00 0.00 31.44 29.96 1m1p n GLU 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1m1p n MET 45 N 1.04 0.92 -0.15 3.44 2.00 -0.73 -4.97 117.12 118.67 1m1p n MET 45 Ca 0.22 -2.45 -0.03 0.00 0.00 0.00 0.00 57.70 55.44 1m1p n MET 45 Cb 0.71 0.28 0.02 0.00 0.00 0.00 0.00 33.22 34.23 1m1p n MET 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1m1p n ASP 46 N -1.85 -0.30 0.26 7.83 5.68 -1.26 -4.30 116.55 122.60 1m1p n ASP 46 Ca -0.02 -0.91 0.15 0.00 -0.50 0.00 0.00 54.79 53.51 1m1p n ASP 46 Cb 0.45 -0.09 0.55 0.00 -1.14 0.00 0.00 41.12 40.89 1m1p n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m1p h ALA 47 N -2.01 1.00 0.21 2.12 0.00 -1.95 -0.04 119.26 118.60 1m1p h ALA 47 Ca -0.04 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1m1p h ALA 47 Cb 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.92 1m1p h ALA 47 CO 0.03 0.06 -1.32 0.28 0.00 0.00 0.00 179.25 178.30 1m1p h VAL 48 N 0.00 1.30 0.04 0.00 2.07 -1.92 -3.41 116.25 114.32 1m1p h VAL 48 Ca -0.00 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.90 1m1p h VAL 48 Cb 0.64 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1m1p h VAL 48 CO 0.01 0.78 -0.02 0.45 0.02 0.00 0.00 177.57 178.81 1m1p h HIS 49 N -0.03 -0.05 -0.87 1.57 3.86 -1.72 -3.40 115.15 114.52 1m1p h HIS 49 Ca -0.24 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.15 1m1p h HIS 49 Cb 2.00 0.02 -0.11 0.00 1.06 0.00 0.00 27.41 30.38 1m1p h HIS 49 CO 0.15 0.51 0.43 -0.22 0.86 0.00 0.00 177.93 179.66 1m1p h LYS 50 N -0.96 0.53 0.00 2.45 3.64 -1.09 -1.59 116.57 119.54 1m1p h LYS 50 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1m1p h LYS 50 Cb 0.58 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1m1p h LYS 50 CO 0.01 0.35 0.00 -2.30 -2.27 0.00 0.00 179.45 175.24 1m1p n PRO 51 N -4.93 0.01 0.00 1.90 -0.02 -1.26 -1.71 135.00 128.98 1m1p n PRO 51 Ca 0.19 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1m1p n PRO 51 Cb 0.52 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.71 1m1p n PRO 51 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1m1p n HIS 52 N -1.47 0.00 -1.68 6.00 8.25 -0.60 -4.90 115.22 120.83 1m1p n HIS 52 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1m1p n HIS 52 Cb 0.04 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 1m1p n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1m1p n ASP 53 N 0.26 3.95 0.00 0.41 2.03 -0.69 -1.34 116.55 121.17 1m1p n ASP 53 Ca 0.13 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1m1p n ASP 53 Cb 0.46 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1m1p n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m1p n GLY 54 N 4.36 1.13 0.02 0.27 0.00 -1.26 -4.86 105.19 104.84 1m1p n GLY 54 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 1m1p n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m1p n ASN 55 N 0.00 3.77 -4.36 1.61 3.02 -0.45 -5.07 115.26 113.79 1m1p n ASN 55 Ca 0.00 -0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.29 1m1p n ASN 55 Cb 0.00 0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 1m1p n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1m1p s LEU 56 N -5.06 2.42 0.43 3.41 1.43 -0.76 -5.14 118.68 115.42 1m1p s LEU 56 Ca -0.05 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1m1p s LEU 56 Cb 0.01 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1m1p s LEU 56 CO 0.10 0.03 0.62 0.68 0.23 0.00 0.00 176.35 178.01 1m1p s VAL 57 N -1.84 3.66 0.25 -1.59 -7.23 -1.26 -4.80 120.40 107.58 1m1p s VAL 57 Ca 0.17 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 1m1p s VAL 57 Cb -0.07 -3.31 0.22 0.00 0.56 0.00 0.00 36.38 33.77 1m1p s VAL 57 CO 0.07 -0.18 1.80 0.00 -0.31 0.00 0.00 175.10 176.48 1m1p n ALA 59 N -2.39 1.50 0.27 0.00 0.00 -1.26 -1.10 120.51 117.52 1m1p n ALA 59 Ca 0.14 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.75 1m1p n ALA 59 Cb 0.31 -1.23 0.59 0.00 0.00 0.00 0.00 19.45 19.11 1m1p n ALA 59 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m1p h ASP 60 N 0.00 0.00 0.00 0.00 3.32 -1.63 -3.35 116.42 114.76 1m1p h ASP 60 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1m1p h ASP 60 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1m1p h ASP 60 CO 0.00 0.01 -1.64 0.00 -1.72 0.00 0.00 179.24 175.89 1m1p s HIS 62 N -2.21 2.82 -0.95 0.00 3.76 -0.26 -4.71 115.29 113.74 1m1p s HIS 62 Ca -0.16 -0.86 -0.21 0.00 -0.15 0.00 0.00 55.06 53.68 1m1p s HIS 62 Cb 0.06 -4.31 0.09 0.00 1.11 0.00 0.00 32.58 29.52 1m1p s HIS 62 CO 0.21 -1.61 1.27 0.00 -0.85 0.00 0.00 174.74 173.75 1m1p s ALA 63 N 3.64 3.04 0.25 -1.40 0.00 -1.26 -4.17 121.76 121.85 1m1p s ALA 63 Ca 0.27 -2.44 0.25 0.00 0.00 0.00 0.00 51.96 50.04 1m1p s ALA 63 Cb -0.12 -4.26 1.12 0.00 0.00 0.00 0.00 23.12 19.86 1m1p s ALA 63 CO 0.02 -3.27 1.92 -0.39 0.00 0.00 0.00 175.76 174.04 1m1p h VAL 64 N 6.28 0.58 -0.00 0.00 -1.51 -1.90 0.01 116.25 119.70 1m1p h VAL 64 Ca 0.14 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1m1p h VAL 64 Cb 1.02 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1m1p h VAL 64 CO 1.26 0.19 -0.30 1.41 -1.23 0.00 0.00 177.57 178.90 1m1p n HIS 65 N -3.49 0.00 -0.04 5.19 8.25 -1.26 -1.01 115.22 122.86 1m1p n HIS 65 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1m1p n HIS 65 Cb 0.36 -0.33 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 1m1p n HIS 65 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1m1p n ASP 66 N -1.45 2.51 -4.87 0.41 8.00 -0.65 -4.93 116.55 115.57 1m1p n ASP 66 Ca 0.07 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.20 1m1p n ASP 66 Cb 0.33 0.99 -0.06 0.00 -0.02 0.00 0.00 41.12 42.37 1m1p n ASP 66 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1m1p s MET 67 N -2.41 3.57 0.49 -1.24 -1.94 -0.10 -5.01 119.30 112.65 1m1p s MET 67 Ca -0.05 -0.02 -0.08 0.00 -1.71 0.00 0.00 55.69 53.83 1m1p s MET 67 Cb 0.04 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 1m1p s MET 67 CO 0.43 0.72 0.83 -0.80 -0.01 0.00 0.00 175.02 176.19 1m1p s ASN 68 N -1.28 6.33 0.23 3.03 0.01 -1.26 -1.20 114.94 120.80 1m1p s ASN 68 Ca 0.21 1.09 -0.31 0.00 -0.71 0.00 0.00 52.86 53.14 1m1p s ASN 68 Cb -0.13 -2.32 -0.14 0.00 0.41 0.00 0.00 41.25 39.07 1m1p s ASN 68 CO 0.10 -0.59 1.35 0.52 -1.51 0.00 0.00 177.10 176.97 1m1p n VAL 69 N -2.09 1.02 -0.78 1.60 0.31 -0.54 -1.37 118.33 116.47 1m1p n VAL 69 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1m1p n VAL 69 Cb 0.55 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1m1p n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m1p n GLY 70 N 2.04 1.41 3.59 2.92 0.00 -1.26 -4.94 105.19 108.95 1m1p n GLY 70 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1m1p n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m1p s GLN 71 N -0.01 3.80 0.02 1.61 0.74 -0.47 -5.06 119.66 120.29 1m1p s GLN 71 Ca 0.00 0.24 -0.22 0.00 0.05 0.00 0.00 55.36 55.43 1m1p s GLN 71 Cb 0.00 -3.77 -0.06 0.00 1.10 0.00 0.00 33.01 30.28 1m1p s GLN 71 CO 0.00 -0.69 0.64 -1.59 -0.55 0.00 0.00 175.29 173.10 1m1p s LYS 72 N 2.76 4.36 0.60 1.67 0.00 -1.26 -4.80 119.74 123.08 1m1p s LYS 72 Ca 0.27 0.84 -0.19 0.00 0.00 0.00 0.00 55.97 56.89 1m1p s LYS 72 Cb -0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 37.83 34.31 1m1p s LYS 72 CO 0.14 0.38 1.07 -2.30 0.00 0.00 0.00 175.35 174.64 1m1p n PRO 73 N 2.62 1.02 -3.83 1.78 -0.02 -1.26 -5.04 135.00 130.27 1m1p n PRO 73 Ca -0.06 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.56 1m1p n PRO 73 Cb 0.51 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1m1p n PRO 73 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1m1p n THR 74 N -1.69 0.00 0.18 3.45 -2.24 -1.26 -4.82 114.28 107.90 1m1p n THR 74 Ca 0.14 -2.09 0.02 0.00 -2.27 0.00 0.00 64.05 59.85 1m1p n THR 74 Cb 0.47 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1m1p n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m1p h GLU 76 N 0.00 0.00 0.00 0.00 9.09 -1.85 -1.26 114.58 120.56 1m1p h GLU 76 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1m1p h GLU 76 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1m1p h GLU 76 CO 0.00 0.00 -0.06 0.66 0.05 0.00 0.00 179.01 179.66 1m1p h SER 77 N 0.00 0.00 0.00 3.06 4.64 -2.01 -3.35 113.55 115.89 1m1p h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m1p h SER 77 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1m1p h SER 77 CO 0.00 0.06 -0.79 0.00 -0.87 0.00 0.00 176.83 175.23 1m1p s HIS 79 N -1.73 2.84 -1.88 0.00 3.76 -0.51 -5.02 115.29 112.74 1m1p s HIS 79 Ca 0.00 -0.24 0.24 0.00 -0.15 0.00 0.00 55.06 54.90 1m1p s HIS 79 Cb 0.00 -1.75 0.21 0.00 1.11 0.00 0.00 32.58 32.16 1m1p s HIS 79 CO 0.00 0.10 1.23 -0.25 -0.85 0.00 0.00 174.74 174.97 1m1p n ASP 80 N 2.74 1.66 -0.61 1.40 10.43 -1.26 -4.24 116.55 126.66 1m1p n ASP 80 Ca -0.18 -1.29 0.09 0.00 2.57 0.00 0.00 54.79 55.99 1m1p n ASP 80 Cb 0.53 0.40 0.30 0.00 1.84 0.00 0.00 41.12 44.19 1m1p n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1m1p n ASP 81 N -0.31 1.80 -0.06 -2.24 5.75 -1.26 -4.93 116.55 115.30 1m1p n ASP 81 Ca 0.10 -1.81 -0.01 0.00 -0.01 0.00 0.00 54.79 53.06 1m1p n ASP 81 Cb 0.42 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1m1p n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m1p n GLY 82 N 1.12 0.48 3.73 6.12 0.00 -1.26 -5.03 105.19 110.36 1m1p n GLY 82 Ca 0.15 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1m1p n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m1p s ARG 83 N -0.92 2.18 0.26 1.61 1.70 -1.26 -5.05 118.95 117.47 1m1p s ARG 83 Ca 0.00 1.60 0.02 0.00 -0.47 0.00 0.00 55.73 56.88 1m1p s ARG 83 Cb 0.00 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.47 1m1p s ARG 83 CO 0.00 -1.77 0.08 0.95 -1.08 0.00 0.00 175.30 173.48 1m1p s THR 84 N -2.22 0.69 0.21 4.99 -4.23 -1.26 -4.52 115.64 109.31 1m1p s THR 84 Ca 0.71 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1m1p s THR 84 Cb -0.25 -2.62 0.16 0.00 1.34 0.00 0.00 72.50 71.13 1m1p s THR 84 CO 0.46 -0.04 1.87 0.77 -0.54 0.00 0.00 174.62 177.14 1m1p h SER 85 N 2.36 0.84 -0.74 3.99 4.64 -1.97 -2.51 113.55 120.17 1m1p h SER 85 Ca -0.39 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1m1p h SER 85 Cb 1.24 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 1m1p h SER 85 CO 0.63 0.60 0.43 0.00 -0.87 0.00 0.00 176.83 177.61 1m1p h ALA 86 N 1.29 1.00 -0.29 5.18 0.00 -1.97 0.31 119.26 124.78 1m1p h ALA 86 Ca 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1m1p h ALA 86 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1m1p h ALA 86 CO -0.08 0.12 -0.27 0.66 0.00 0.00 0.00 179.25 179.68 1m1p h SER 87 N 0.78 0.58 0.10 0.00 4.64 -1.82 -0.93 113.55 116.89 1m1p h SER 87 Ca 0.33 -0.21 -0.21 0.00 -0.47 0.00 0.00 61.79 61.23 1m1p h SER 87 Cb 0.20 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1m1p h SER 87 CO -0.19 0.83 -1.07 0.58 -0.87 0.00 0.00 176.83 176.11 1m1p h VAL 88 N 0.50 1.24 -0.24 0.95 2.07 -1.20 -3.35 116.25 116.21 1m1p h VAL 88 Ca 0.07 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.07 1m1p h VAL 88 Cb 0.72 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1m1p h VAL 88 CO 0.06 0.65 -0.33 -0.07 0.02 0.00 0.00 177.57 177.90 1m1p h LEU 89 N -0.48 0.52 1.10 2.57 3.38 -1.01 -3.47 115.31 117.92 1m1p h LEU 89 Ca -0.23 -0.20 -0.39 0.00 0.09 0.00 0.00 57.88 57.15 1m1p h LEU 89 Cb 1.59 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.21 1m1p h LEU 89 CO 0.05 0.82 -0.57 0.29 0.09 0.00 0.00 178.44 179.11 1m1p n LYS 90 N -4.07 -4.14 0.00 1.13 5.02 -0.35 -5.01 118.16 110.74 1m1p n LYS 90 Ca -0.01 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1m1p n LYS 90 Cb 0.46 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1m1p n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51