#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1p h LEU 5 N 0.00 0.73 -0.67 -0.35 5.85 -0.88 -1.27 115.31 118.73 1m1p h LEU 5 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1m1p h LEU 5 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1m1p h LEU 5 CO 0.00 0.59 0.43 0.77 -0.34 0.00 0.00 178.44 179.89 1m1p h SER 6 N 0.84 0.79 -0.38 1.25 4.64 -1.37 -2.44 113.55 116.89 1m1p h SER 6 Ca 0.22 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1m1p h SER 6 Cb 0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1m1p h SER 6 CO -0.04 0.59 -0.15 0.44 -0.87 0.00 0.00 176.83 176.81 1m1p h ASP 7 N 0.91 0.78 -0.58 4.97 3.32 -1.63 -0.35 116.42 123.84 1m1p h ASP 7 Ca 0.24 -0.39 0.10 0.00 0.02 0.00 0.00 57.03 57.00 1m1p h ASP 7 Cb -0.07 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.19 1m1p h ASP 7 CO -0.05 1.00 0.18 0.15 -1.72 0.00 0.00 179.24 178.80 1m1p h PHE 8 N 0.56 0.31 -0.39 4.55 3.57 -1.16 0.05 116.94 124.43 1m1p h PHE 8 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 1m1p h PHE 8 Cb 0.69 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1m1p h PHE 8 CO 0.06 0.05 -0.30 0.45 -2.23 0.00 0.00 178.31 176.33 1m1p h HIS 9 N 0.34 1.06 -0.27 0.41 3.86 -1.28 -3.20 115.15 116.07 1m1p h HIS 9 Ca 0.30 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1m1p h HIS 9 Cb 0.39 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1m1p h HIS 9 CO -0.19 1.10 -0.10 0.00 0.86 0.00 0.00 177.93 179.60 1m1p h ALA 10 N 0.79 1.32 -0.67 2.45 0.00 -0.38 -1.57 119.26 121.19 1m1p h ALA 10 Ca 0.07 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1m1p h ALA 10 Cb 0.89 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1m1p h ALA 10 CO 0.08 0.46 0.45 0.93 0.00 0.00 0.00 179.25 181.16 1m1p h GLU 11 N 0.42 0.60 0.00 0.00 5.08 -1.00 0.28 114.58 119.96 1m1p h GLU 11 Ca 0.08 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 1m1p h GLU 11 Cb 0.44 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1m1p h GLU 11 CO 0.02 0.39 -2.30 -1.13 -1.00 0.00 0.00 179.01 174.99 1m1p n SER 12 N -4.48 0.12 0.00 1.42 3.41 -1.03 -4.68 113.62 108.38 1m1p n SER 12 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1m1p n SER 12 Cb 0.29 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 1m1p n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m1p n GLY 13 N 1.72 -0.41 0.52 5.00 0.00 -0.62 -5.13 105.19 106.26 1m1p n GLY 13 Ca -0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.07 -1.86 0.27 -0.02 0.00 1.00 -2.86 105.19 101.65 1m1p n GLY 14 Ca 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.52 0.18 0.08 0.00 0.00 -1.26 -1.53 120.64 113.59 1m1p n GLU 16 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 57.16 57.31 1m1p n GLU 16 Cb 0.09 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 30.49 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 0.33 0.00 -1.84 4.64 -1.26 -3.31 113.55 112.10 1m1p h SER 17 Ca 0.00 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1m1p h SER 17 Cb 0.23 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1m1p h SER 17 CO 0.00 0.28 -1.45 0.00 -0.87 0.00 0.00 176.83 174.79 1m1p s HIS 19 N -2.17 2.80 0.06 0.00 3.76 -0.58 -3.90 115.29 115.26 1m1p s HIS 19 Ca -0.03 -0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 54.14 1m1p s HIS 19 Cb 0.02 -1.78 -0.09 0.00 1.11 0.00 0.00 32.58 31.84 1m1p s HIS 19 CO 0.27 -0.05 1.75 0.21 -0.85 0.00 0.00 174.74 176.08 1m1p s LYS 20 N -0.04 4.17 -1.28 1.40 2.20 -1.25 -1.53 119.74 123.40 1m1p s LYS 20 Ca -0.02 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 1m1p s LYS 20 Cb -0.14 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1m1p s LYS 20 CO 0.04 -0.81 0.00 -0.25 -0.36 0.00 0.00 175.35 173.96 1m1p n ASP 21 N 6.13 -4.43 -0.63 1.43 8.00 -1.26 -1.69 116.55 124.10 1m1p n ASP 21 Ca 0.17 0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.74 1m1p n ASP 21 Cb 0.40 -3.76 -0.04 0.00 -0.02 0.00 0.00 41.12 37.71 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 -0.82 0.97 3.17 0.44 0.00 -0.58 -4.98 105.19 103.40 1m1p n GLY 22 Ca -0.17 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.15 1.87 0.34 2.61 2.01 -0.68 -4.91 115.64 114.72 1m1p s THR 23 Ca 0.00 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 1m1p s THR 23 Cb 0.00 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.78 1m1p s THR 23 CO 0.00 0.52 1.35 -2.16 -0.69 0.00 0.00 174.62 173.63 1m1p s PRO 24 N 0.46 4.30 0.70 4.92 0.04 -1.26 -3.88 135.00 140.29 1m1p s PRO 24 Ca -0.17 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1m1p s PRO 24 Cb -0.17 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1m1p s PRO 24 CO 0.07 -0.26 1.09 -1.54 0.04 0.00 0.00 177.00 176.39 1m1p s SER 25 N -0.40 5.44 0.18 6.66 1.04 -1.26 -5.00 113.70 120.37 1m1p s SER 25 Ca 0.50 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 58.07 1m1p s SER 25 Cb -0.41 -2.01 0.07 0.00 0.10 0.00 0.00 66.02 63.77 1m1p s SER 25 CO 0.55 -1.35 1.48 0.00 0.98 0.00 0.00 173.24 174.90 1m1p h ALA 26 N -0.66 0.65 -0.01 5.32 0.00 -2.05 -3.36 119.26 119.15 1m1p h ALA 26 Ca -0.45 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1m1p h ALA 26 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1m1p h ALA 26 CO 0.63 0.69 -0.33 -0.40 0.00 0.00 0.00 179.25 179.84 1m1p n ASP 27 N -3.96 1.17 0.00 0.00 3.85 -1.26 -5.00 116.55 111.36 1m1p n ASP 27 Ca -0.04 -1.09 0.00 0.00 -0.71 0.00 0.00 54.79 52.96 1m1p n ASP 27 Cb 0.62 0.60 0.00 0.00 -1.35 0.00 0.00 41.12 40.99 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 1.07 0.78 0.17 6.12 0.00 -1.26 -4.93 105.19 107.13 1m1p n GLY 28 Ca 0.04 0.00 -0.14 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 0.25 -0.59 4.61 0.00 -1.94 -1.81 119.26 119.79 1m1p h ALA 29 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1m1p h ALA 29 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1m1p h ALA 29 CO 0.00 0.30 0.36 0.35 0.00 0.00 0.00 179.25 180.26 1m1p h PHE 30 N 0.13 0.67 -0.48 0.00 3.57 -1.92 -1.45 116.94 117.46 1m1p h PHE 30 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1m1p h PHE 30 Cb 0.93 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1m1p h PHE 30 CO 0.10 0.38 0.19 0.93 -2.23 0.00 0.00 178.31 177.68 1m1p h GLU 31 N 0.71 0.72 -0.80 1.11 3.07 -1.64 -1.19 114.58 116.55 1m1p h GLU 31 Ca 0.24 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1m1p h GLU 31 Cb 0.02 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.78 1m1p h GLU 31 CO -0.10 0.64 0.51 0.35 -1.40 0.00 0.00 179.01 179.01 1m1p h PHE 32 N 0.63 1.03 -0.63 4.33 3.57 -0.96 -0.39 116.94 124.52 1m1p h PHE 32 Ca 0.16 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1m1p h PHE 32 Cb 0.19 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1m1p h PHE 32 CO 0.00 0.67 0.18 0.00 -2.23 0.00 0.00 178.31 176.93 1m1p h ALA 33 N 1.28 1.14 -0.58 2.41 0.00 -0.88 -2.16 119.26 120.46 1m1p h ALA 33 Ca 0.29 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1m1p h ALA 33 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1m1p h ALA 33 CO -0.06 0.59 0.12 1.96 0.00 0.00 0.00 179.25 181.86 1m1p h GLN 34 N 0.93 0.95 -0.83 0.00 1.08 -0.38 -0.26 115.11 116.61 1m1p h GLN 34 Ca 0.21 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1m1p h GLN 34 Cb 0.29 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 1m1p h GLN 34 CO -0.01 0.90 0.53 0.00 -0.95 0.00 0.00 178.83 179.30 1m1p h GLN 36 N 1.02 0.16 0.00 0.00 4.20 -1.10 -1.40 115.11 117.99 1m1p h GLN 36 Ca 0.33 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1m1p h GLN 36 Cb 0.03 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1m1p h GLN 36 CO -0.12 0.71 0.00 0.45 -0.67 0.00 0.00 178.83 179.20 1m1p n SER 37 N -3.86 0.00 -0.04 1.46 2.88 -0.13 -0.62 113.62 113.30 1m1p n SER 37 Ca -0.02 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.41 1m1p n SER 37 Cb 0.61 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 1m1p n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m1p n HIS 39 N -3.05 0.00 -3.43 0.00 8.25 -0.55 -5.11 115.22 111.34 1m1p n HIS 39 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1m1p n HIS 39 Cb 1.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.18 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 1.11 -2.01 3.78 -1.41 0.00 0.21 -4.99 105.19 101.88 1m1p n GLY 40 Ca 0.04 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 2.85 0.38 1.61 -0.14 -1.26 -4.33 119.74 118.85 1m1p s LYS 41 Ca 0.00 -0.87 0.09 0.00 -1.36 0.00 0.00 55.97 53.83 1m1p s LYS 41 Cb 0.00 -2.63 0.84 0.00 -1.68 0.00 0.00 37.83 34.36 1m1p s LYS 41 CO 0.00 0.49 1.93 -0.07 -0.76 0.00 0.00 175.35 176.94 1m1p h LEU 42 N 2.52 0.59 -2.71 3.17 3.38 -1.94 -1.56 115.31 118.76 1m1p h LEU 42 Ca -0.47 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1m1p h LEU 42 Cb 1.20 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1m1p h LEU 42 CO 0.63 0.35 -0.01 0.77 0.09 0.00 0.00 178.44 180.27 1m1p h SER 43 N 0.65 0.00 -0.68 -0.43 4.64 -1.91 -1.55 113.55 114.27 1m1p h SER 43 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1m1p h SER 43 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1m1p h SER 43 CO -0.13 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.22 1m1p n GLU 44 N -3.27 2.69 -1.21 4.77 4.71 -0.59 -4.96 120.64 122.77 1m1p n GLU 44 Ca -0.03 -2.61 0.00 0.00 -0.01 0.00 0.00 57.16 54.51 1m1p n GLU 44 Cb 0.10 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1m1p n GLU 44 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1m1p n MET 45 N 1.65 1.35 -0.16 3.49 2.00 -0.58 -5.01 117.12 119.86 1m1p n MET 45 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.91 1m1p n MET 45 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.86 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 -2.36 -0.02 0.25 7.83 5.68 -1.26 -4.39 116.55 122.28 1m1p n ASP 46 Ca 0.00 -1.03 0.12 0.00 -0.50 0.00 0.00 54.79 53.38 1m1p n ASP 46 Cb 0.00 -0.09 0.67 0.00 -1.14 0.00 0.00 41.12 40.57 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 -1.98 1.24 0.22 2.12 0.00 -1.98 0.43 119.26 119.30 1m1p h ALA 47 Ca -0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 1m1p h ALA 47 Cb 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1m1p h ALA 47 CO 0.03 0.18 -1.35 0.28 0.00 0.00 0.00 179.25 178.39 1m1p h VAL 48 N 0.00 1.30 0.00 0.00 2.07 -1.92 -3.41 116.25 114.28 1m1p h VAL 48 Ca -0.00 -2.63 -0.03 0.00 0.82 0.00 0.00 66.70 64.85 1m1p h VAL 48 Cb 0.42 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1m1p h VAL 48 CO 0.02 0.79 -0.23 0.45 0.02 0.00 0.00 177.57 178.62 1m1p h HIS 49 N 0.00 0.00 -0.87 1.57 3.86 -1.73 -3.41 115.15 114.58 1m1p h HIS 49 Ca -0.24 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.14 1m1p h HIS 49 Cb 2.03 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.39 1m1p h HIS 49 CO 0.14 0.68 0.43 -0.22 0.86 0.00 0.00 177.93 179.82 1m1p h LYS 50 N -1.00 0.53 0.00 2.45 3.64 -0.99 -1.39 116.57 119.80 1m1p h LYS 50 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1m1p h LYS 50 Cb 0.70 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1m1p h LYS 50 CO -0.03 0.35 0.00 -2.30 -2.27 0.00 0.00 179.45 175.20 1m1p n PRO 51 N -4.93 0.11 0.00 1.90 -0.02 -1.26 -1.79 135.00 129.00 1m1p n PRO 51 Ca 0.19 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1m1p n PRO 51 Cb 0.52 -1.82 0.33 0.00 -0.02 0.00 0.00 33.50 32.51 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 -2.05 0.00 -1.67 6.00 8.25 -0.52 -4.81 115.22 120.41 1m1p n HIS 52 Ca -0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1m1p n HIS 52 Cb 0.07 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.19 3.82 0.00 0.41 2.03 -0.74 -0.45 116.55 121.42 1m1p n ASP 53 Ca 0.14 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1m1p n ASP 53 Cb 0.39 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 4.35 1.64 0.04 0.27 0.00 -1.26 -4.85 105.19 105.39 1m1p n GLY 54 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 3.31 -4.23 1.61 3.02 0.40 -5.08 115.26 114.29 1m1p n ASN 55 Ca 0.00 -0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1m1p n ASN 55 Cb 0.00 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 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 -5.46 2.51 0.36 3.41 1.43 -0.28 -5.12 118.68 115.53 1m1p s LEU 56 Ca -0.11 -0.98 0.06 0.00 -1.03 0.00 0.00 54.13 52.06 1m1p s LEU 56 Cb 0.03 -0.30 -0.00 0.00 0.03 0.00 0.00 46.19 45.95 1m1p s LEU 56 CO 0.21 -0.34 0.51 0.68 0.23 0.00 0.00 176.35 177.64 1m1p s VAL 57 N -3.25 3.87 0.23 -1.59 -7.23 -1.26 -4.77 120.40 106.40 1m1p s VAL 57 Ca 0.14 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1m1p s VAL 57 Cb 0.02 -3.34 0.18 0.00 0.56 0.00 0.00 36.38 33.80 1m1p s VAL 57 CO -0.00 -0.14 1.78 0.00 -0.31 0.00 0.00 175.10 176.42 1m1p n ALA 59 N -2.41 1.27 0.28 0.00 0.00 -1.26 -1.43 120.51 116.96 1m1p n ALA 59 Ca 0.11 0.15 0.17 0.00 0.00 0.00 0.00 53.44 53.87 1m1p n ALA 59 Cb 0.27 -1.33 0.75 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.65 -3.33 116.42 114.75 1m1p h ASP 60 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1m1p h ASP 60 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1m1p h ASP 60 CO 0.00 0.05 -1.44 0.00 -1.72 0.00 0.00 179.24 176.12 1m1p s HIS 62 N -2.15 2.93 -0.90 0.00 3.76 -0.52 -4.69 115.29 113.71 1m1p s HIS 62 Ca -0.11 -0.65 -0.21 0.00 -0.15 0.00 0.00 55.06 53.94 1m1p s HIS 62 Cb 0.03 -3.93 0.10 0.00 1.11 0.00 0.00 32.58 29.89 1m1p s HIS 62 CO 0.16 -1.29 1.19 0.00 -0.85 0.00 0.00 174.74 173.95 1m1p s ALA 63 N 3.08 3.14 0.25 -1.40 0.00 -1.26 -4.21 121.76 121.35 1m1p s ALA 63 Ca 0.17 -2.45 0.23 0.00 0.00 0.00 0.00 51.96 49.91 1m1p s ALA 63 Cb -0.20 -4.15 1.02 0.00 0.00 0.00 0.00 23.12 19.79 1m1p s ALA 63 CO 0.10 -3.12 1.88 -0.39 0.00 0.00 0.00 175.76 174.23 1m1p h VAL 64 N 6.11 0.69 -0.00 0.00 -1.51 -1.91 -0.84 116.25 118.78 1m1p h VAL 64 Ca 0.08 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1m1p h VAL 64 Cb 1.03 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1m1p h VAL 64 CO 1.21 0.23 -0.16 1.41 -1.23 0.00 0.00 177.57 179.03 1m1p n HIS 65 N -3.56 0.00 -0.01 5.19 8.25 -1.26 -1.07 115.22 122.76 1m1p n HIS 65 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1m1p n HIS 65 Cb 0.39 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.96 3.69 -4.69 0.41 8.00 -0.56 -4.95 116.55 117.50 1m1p n ASP 66 Ca 0.13 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 1m1p n ASP 66 Cb 0.30 1.18 -0.08 0.00 -0.02 0.00 0.00 41.12 42.50 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 -2.36 2.58 0.43 -1.24 -1.94 -0.43 -5.02 119.30 111.32 1m1p s MET 67 Ca -0.02 -0.80 -0.03 0.00 -1.71 0.00 0.00 55.69 53.12 1m1p s MET 67 Cb 0.03 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 1m1p s MET 67 CO 0.24 0.55 0.70 0.54 -0.01 0.00 0.00 175.02 177.04 1m1p s ASN 68 N -2.19 6.28 0.24 3.03 2.20 -1.26 -0.87 114.94 122.36 1m1p s ASN 68 Ca 0.25 0.75 -0.31 0.00 -0.94 0.00 0.00 52.86 52.61 1m1p s ASN 68 Cb -0.12 -2.17 -0.12 0.00 -2.00 0.00 0.00 41.25 36.84 1m1p s ASN 68 CO 0.17 -0.47 1.64 0.52 -2.94 0.00 0.00 177.10 176.02 1m1p n VAL 69 N -2.07 0.49 0.00 3.54 0.31 -1.26 -1.20 118.33 118.14 1m1p n VAL 69 Ca -0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1m1p n VAL 69 Cb 0.55 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 3.04 1.80 3.67 2.92 0.00 -1.26 -5.04 105.19 110.32 1m1p n GLY 70 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.56 4.28 -0.09 1.61 0.74 -0.34 -5.06 119.66 120.24 1m1p s GLN 71 Ca 0.00 0.84 -0.17 0.00 0.05 0.00 0.00 55.36 56.08 1m1p s GLN 71 Cb 0.00 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1m1p s GLN 71 CO 0.00 -0.25 0.44 0.15 -0.55 0.00 0.00 175.29 175.07 1m1p s LYS 72 N 1.92 4.23 0.63 1.67 1.02 -1.26 -4.80 119.74 123.15 1m1p s LYS 72 Ca 0.34 0.40 -0.18 0.00 0.02 0.00 0.00 55.97 56.56 1m1p s LYS 72 Cb -0.16 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1m1p s LYS 72 CO 0.12 0.31 0.89 -2.30 -0.92 0.00 0.00 175.35 173.45 1m1p n PRO 73 N 3.16 0.74 -4.29 -1.68 -0.02 -1.26 -5.03 135.00 126.60 1m1p n PRO 73 Ca -0.09 0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 61.42 1m1p n PRO 73 Cb 0.52 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1m1p n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1m1p s THR 74 N -1.61 2.06 -0.52 3.45 -4.23 -1.26 -4.74 115.64 108.79 1m1p s THR 74 Ca 0.75 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1m1p s THR 74 Cb -0.40 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.60 1m1p s THR 74 CO 0.48 0.00 0.48 0.00 -0.54 0.00 0.00 174.62 175.04 1m1p h GLU 76 N 0.64 0.00 0.00 0.00 9.09 -1.86 -1.51 114.58 120.95 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 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1m1p h GLU 76 CO 0.00 0.00 -0.05 0.66 0.05 0.00 0.00 179.01 179.67 1m1p h SER 77 N 0.00 0.00 0.00 3.06 4.64 -2.02 -3.35 113.55 115.88 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 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1m1p h SER 77 CO 0.00 0.05 -0.66 0.00 -0.87 0.00 0.00 176.83 175.35 1m1p s HIS 79 N -1.35 2.54 -2.70 0.00 3.76 -0.59 -5.04 115.29 111.90 1m1p s HIS 79 Ca 0.00 -0.73 0.25 0.00 -0.15 0.00 0.00 55.06 54.42 1m1p s HIS 79 Cb 0.00 -1.66 0.54 0.00 1.11 0.00 0.00 32.58 32.57 1m1p s HIS 79 CO 0.00 -0.22 1.46 -0.25 -0.85 0.00 0.00 174.74 174.87 1m1p n ASP 80 N 3.09 2.48 -1.60 1.40 10.43 -1.26 -4.22 116.55 126.87 1m1p n ASP 80 Ca -0.18 -1.82 0.10 0.00 2.57 0.00 0.00 54.79 55.46 1m1p n ASP 80 Cb 0.52 -0.05 0.36 0.00 1.84 0.00 0.00 41.12 43.80 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 0.92 4.75 -0.12 -2.24 5.75 -1.26 -4.92 116.55 119.42 1m1p n ASP 81 Ca 0.16 -2.40 -0.02 0.00 -0.01 0.00 0.00 54.79 52.53 1m1p n ASP 81 Cb 0.50 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.23 0.53 3.76 6.12 0.00 -1.26 -5.01 105.19 110.55 1m1p n GLY 82 Ca 0.26 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.38 2.44 0.18 1.61 1.70 -1.26 -5.06 118.95 117.19 1m1p s ARG 83 Ca 0.00 1.32 0.00 0.00 -0.47 0.00 0.00 55.73 56.58 1m1p s ARG 83 Cb 0.00 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.43 1m1p s ARG 83 CO 0.00 -1.52 0.07 0.95 -1.08 0.00 0.00 175.30 173.72 1m1p s THR 84 N -2.59 0.32 0.37 4.99 -4.23 -1.26 -4.44 115.64 108.80 1m1p s THR 84 Ca 0.65 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1m1p s THR 84 Cb -0.19 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.58 1m1p s THR 84 CO 0.49 -0.26 1.99 0.77 -0.54 0.00 0.00 174.62 177.06 1m1p h SER 85 N 2.66 0.56 -0.58 3.99 4.64 -1.98 -2.51 113.55 120.33 1m1p h SER 85 Ca -0.36 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1m1p h SER 85 Cb 1.22 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 1m1p h SER 85 CO 0.59 0.47 0.30 0.00 -0.87 0.00 0.00 176.83 177.32 1m1p h ALA 86 N 1.62 0.75 -0.05 5.18 0.00 -1.98 0.64 119.26 125.42 1m1p h ALA 86 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1m1p h ALA 86 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1m1p h ALA 86 CO -0.02 -0.03 -0.60 0.77 0.00 0.00 0.00 179.25 179.36 1m1p h SER 87 N 0.58 0.21 0.00 0.00 0.02 -1.88 -3.21 113.55 109.27 1m1p h SER 87 Ca 0.26 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.84 1m1p h SER 87 Cb 0.15 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1m1p h SER 87 CO -0.17 0.76 -0.92 0.58 -1.14 0.00 0.00 176.83 175.94 1m1p h VAL 88 N 0.14 1.30 0.00 2.27 2.07 -1.20 -3.49 116.25 117.34 1m1p h VAL 88 Ca -0.01 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1m1p h VAL 88 Cb 1.09 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1m1p h VAL 88 CO 0.09 0.67 0.00 0.18 0.02 0.00 0.00 177.57 178.53