#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 4.20 0.46 0.00 0.74 -1.26 -4.99 119.66 118.81 1m1p s GLN 3 Ca 0.00 0.41 -0.22 0.00 0.05 0.00 0.00 55.36 55.60 1m1p s GLN 3 Cb 0.00 -3.36 -0.08 0.00 1.10 0.00 0.00 33.01 30.67 1m1p s GLN 3 CO 0.00 0.35 1.11 0.15 -0.55 0.00 0.00 175.29 176.35 1m1p s LYS 4 N 0.02 3.79 0.32 1.67 -0.14 -1.26 -0.87 119.74 123.26 1m1p s LYS 4 Ca 0.24 1.62 -0.00 0.00 -1.36 0.00 0.00 55.97 56.47 1m1p s LYS 4 Cb -0.16 -2.32 0.51 0.00 -1.68 0.00 0.00 37.83 34.18 1m1p s LYS 4 CO 0.11 -0.49 1.98 1.25 -0.76 0.00 0.00 175.35 177.44 1m1p h LEU 5 N 1.94 0.86 -0.25 3.17 5.85 -1.01 -1.39 115.31 124.47 1m1p h LEU 5 Ca -0.49 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1m1p h LEU 5 Cb 1.24 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1m1p h LEU 5 CO 0.60 0.63 0.09 0.77 -0.34 0.00 0.00 178.44 180.19 1m1p h SER 6 N 1.01 0.10 -0.64 1.25 4.64 -1.19 -1.90 113.55 116.82 1m1p h SER 6 Ca 0.27 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 1m1p h SER 6 Cb -0.10 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1m1p h SER 6 CO -0.06 0.09 0.17 0.44 -0.87 0.00 0.00 176.83 176.60 1m1p h ASP 7 N 0.20 0.98 -0.50 4.97 3.32 -1.68 -0.58 116.42 123.13 1m1p h ASP 7 Ca 0.11 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1m1p h ASP 7 Cb 0.08 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1m1p h ASP 7 CO -0.11 0.94 0.24 0.15 -1.72 0.00 0.00 179.24 178.73 1m1p h PHE 8 N 0.99 0.43 -0.58 4.55 3.57 -1.16 -2.05 116.94 122.70 1m1p h PHE 8 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1m1p h PHE 8 Cb 0.34 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1m1p h PHE 8 CO 0.02 0.20 0.04 0.45 -2.23 0.00 0.00 178.31 176.79 1m1p h HIS 9 N 0.46 1.04 0.00 0.41 3.86 -0.96 -3.10 115.15 116.86 1m1p h HIS 9 Ca 0.23 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1m1p h HIS 9 Cb 0.17 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1m1p h HIS 9 CO -0.12 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.59 1m1p h ALA 10 N 1.12 1.00 -0.07 2.45 0.00 -0.44 -1.13 119.26 122.20 1m1p h ALA 10 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1m1p h ALA 10 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1m1p h ALA 10 CO 0.02 0.00 0.01 0.93 0.00 0.00 0.00 179.25 180.21 1m1p h GLU 11 N 0.00 0.09 -3.38 0.00 5.08 -1.34 -1.00 114.58 114.03 1m1p h GLU 11 Ca 0.00 -0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1m1p h GLU 11 Cb 0.27 -0.02 -0.38 0.00 0.50 0.00 0.00 28.75 29.13 1m1p h GLU 11 CO 0.00 0.10 -0.38 -1.12 -1.00 0.00 0.00 179.01 176.61 1m1p s SER 12 N -6.99 5.19 0.00 1.42 0.01 -0.43 -4.75 113.70 108.15 1m1p s SER 12 Ca -0.05 -3.29 0.00 0.00 1.31 0.00 0.00 55.95 53.92 1m1p s SER 12 Cb 0.17 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1m1p s SER 12 CO 0.69 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1m1p n GLY 13 N 2.85 0.75 7.00 3.44 0.00 -1.24 -4.88 105.19 113.11 1m1p n GLY 13 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.99 -0.36 0.25 -0.02 0.00 -0.38 -2.88 105.19 100.81 1m1p n GLY 14 Ca 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1m1p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1p h GLU 16 N 0.00 0.00 -0.56 0.00 9.09 -1.73 -2.12 114.58 119.27 1m1p h GLU 16 Ca -0.00 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.46 1m1p h GLU 16 Cb 0.52 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1m1p h GLU 16 CO 0.02 0.00 0.37 0.66 0.05 0.00 0.00 179.01 180.11 1m1p h SER 17 N 0.00 0.50 0.00 3.06 4.64 -1.37 -3.30 113.55 117.08 1m1p h SER 17 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1m1p h SER 17 Cb 0.46 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1m1p h SER 17 CO 0.00 0.33 -1.52 0.00 -0.87 0.00 0.00 176.83 174.77 1m1p s HIS 19 N -2.39 2.61 0.09 0.00 3.76 -0.81 -4.03 115.29 114.53 1m1p s HIS 19 Ca -0.04 -0.83 -0.31 0.00 -0.15 0.00 0.00 55.06 53.74 1m1p s HIS 19 Cb 0.04 -1.72 -0.09 0.00 1.11 0.00 0.00 32.58 31.92 1m1p s HIS 19 CO 0.37 -0.29 1.76 0.21 -0.85 0.00 0.00 174.74 175.94 1m1p s LYS 20 N 0.17 4.16 -2.16 1.40 2.20 -1.24 -1.22 119.74 123.06 1m1p s LYS 20 Ca -0.12 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1m1p s LYS 20 Cb -0.16 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1m1p s LYS 20 CO 0.07 -0.81 0.00 -0.25 -0.36 0.00 0.00 175.35 174.00 1m1p n ASP 21 N 5.79 -5.45 0.00 1.43 8.00 -1.26 -2.23 116.55 122.82 1m1p n ASP 21 Ca 0.17 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1m1p n ASP 21 Cb 0.39 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 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 -0.36 0.72 3.45 0.44 0.00 -0.35 -4.95 105.19 104.14 1m1p n GLY 22 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.98 3.06 0.31 2.61 2.01 -0.95 -4.75 115.64 114.95 1m1p s THR 23 Ca 0.00 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1m1p s THR 23 Cb 0.00 -2.22 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1m1p s THR 23 CO 0.00 0.57 1.25 -2.16 -0.69 0.00 0.00 174.62 173.60 1m1p s PRO 24 N -0.46 4.43 0.78 4.92 0.04 -1.26 -3.69 135.00 139.76 1m1p s PRO 24 Ca 0.06 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1m1p s PRO 24 Cb -0.12 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.38 1m1p s PRO 24 CO 0.02 -0.08 1.12 -1.54 0.04 0.00 0.00 177.00 176.55 1m1p s SER 25 N -0.56 4.70 -0.00 6.66 1.04 -1.26 -5.02 113.70 119.26 1m1p s SER 25 Ca 0.48 1.08 0.08 0.00 0.48 0.00 0.00 55.95 58.07 1m1p s SER 25 Cb -0.38 -1.77 -0.23 0.00 0.10 0.00 0.00 66.02 63.74 1m1p s SER 25 CO 0.49 -1.81 0.83 0.00 0.98 0.00 0.00 173.24 173.73 1m1p h ALA 26 N -0.98 0.58 0.00 5.32 0.00 -2.06 -3.38 119.26 118.73 1m1p h ALA 26 Ca -0.47 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.17 1m1p h ALA 26 Cb 1.28 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1m1p h ALA 26 CO 0.63 1.42 -0.63 -0.40 0.00 0.00 0.00 179.25 180.27 1m1p n ASP 27 N -3.21 0.68 0.00 0.00 3.85 -1.26 -4.96 116.55 111.65 1m1p n ASP 27 Ca -0.14 0.09 0.00 0.00 -0.71 0.00 0.00 54.79 54.03 1m1p n ASP 27 Cb 1.02 0.19 0.00 0.00 -1.35 0.00 0.00 41.12 40.98 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 1.35 0.54 0.08 6.12 0.00 -1.26 -4.92 105.19 107.09 1m1p n GLY 28 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.09 -0.64 4.61 0.00 -1.94 -1.73 119.26 119.65 1m1p h ALA 29 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1m1p h ALA 29 Cb 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1m1p h ALA 29 CO 0.00 -0.18 0.40 0.35 0.00 0.00 0.00 179.25 179.81 1m1p h PHE 30 N -0.22 0.74 -0.37 0.00 3.57 -1.93 -1.75 116.94 116.98 1m1p h PHE 30 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1m1p h PHE 30 Cb 0.42 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1m1p h PHE 30 CO 0.06 0.42 0.23 0.93 -2.23 0.00 0.00 178.31 177.72 1m1p h GLU 31 N 0.78 0.50 -0.74 1.11 3.07 -1.67 -1.38 114.58 116.25 1m1p h GLU 31 Ca 0.26 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1m1p h GLU 31 Cb 0.03 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 1m1p h GLU 31 CO -0.11 0.36 0.46 0.35 -1.40 0.00 0.00 179.01 178.67 1m1p h PHE 32 N 0.49 0.95 -0.95 4.33 3.57 -1.02 -0.98 116.94 123.33 1m1p h PHE 32 Ca 0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1m1p h PHE 32 Cb -0.02 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.34 1m1p h PHE 32 CO -0.04 0.62 0.62 0.00 -2.23 0.00 0.00 178.31 177.28 1m1p h ALA 33 N 1.25 1.43 -0.15 2.41 0.00 -0.92 -2.49 119.26 120.79 1m1p h ALA 33 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1m1p h ALA 33 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1m1p h ALA 33 CO -0.05 0.45 0.02 1.96 0.00 0.00 0.00 179.25 181.62 1m1p h GLN 34 N 1.14 0.25 -0.50 0.00 1.08 -0.12 0.68 115.11 117.64 1m1p h GLN 34 Ca 0.39 -0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.62 1m1p h GLN 34 Cb 0.11 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.43 1m1p h GLN 34 CO -0.14 0.44 0.06 0.00 -0.95 0.00 0.00 178.83 178.24 1m1p h GLN 36 N 0.18 0.30 -0.91 0.00 4.20 -1.34 -1.32 115.11 116.22 1m1p h GLN 36 Ca 0.26 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1m1p h GLN 36 Cb 0.37 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1m1p h GLN 36 CO -0.37 0.71 0.59 1.03 -0.67 0.00 0.00 178.83 180.11 1m1p h SER 37 N 0.24 0.86 0.36 1.46 0.87 -0.02 0.33 113.55 117.66 1m1p h SER 37 Ca 0.02 0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.28 1m1p h SER 37 Cb 0.91 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1m1p h SER 37 CO 0.08 0.53 -1.85 0.00 -0.53 0.00 0.00 176.83 175.06 1m1p n HIS 39 N -3.14 0.00 0.00 0.00 8.25 -0.51 -5.12 115.22 114.70 1m1p n HIS 39 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1m1p n HIS 39 Cb 1.06 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 1.59 0.91 3.90 -1.41 0.00 0.10 -5.02 105.19 105.26 1m1p n GLY 40 Ca -0.02 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.45 3.64 0.43 1.61 -0.14 -1.26 -4.32 119.74 118.25 1m1p s LYS 41 Ca 0.00 -0.01 0.18 0.00 -1.36 0.00 0.00 55.97 54.78 1m1p s LYS 41 Cb 0.00 -2.68 1.10 0.00 -1.68 0.00 0.00 37.83 34.57 1m1p s LYS 41 CO 0.00 0.27 1.88 -0.07 -0.76 0.00 0.00 175.35 176.67 1m1p h LEU 42 N 1.91 0.37 -2.30 3.17 3.38 -1.95 -0.64 115.31 119.25 1m1p h LEU 42 Ca -0.47 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1m1p h LEU 42 Cb 1.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1m1p h LEU 42 CO 0.67 0.17 -0.00 0.77 0.09 0.00 0.00 178.44 180.13 1m1p h SER 43 N 0.38 0.00 -0.69 -0.43 4.64 -1.91 -1.96 113.55 113.58 1m1p h SER 43 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1m1p h SER 43 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1m1p h SER 43 CO -0.14 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.20 1m1p n GLU 44 N -3.11 2.77 -2.49 4.77 -0.58 -0.25 -4.97 120.64 116.79 1m1p n GLU 44 Ca -0.01 -2.61 -0.13 0.00 -0.42 0.00 0.00 57.16 53.99 1m1p n GLU 44 Cb 0.18 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 1m1p n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1m1p n MET 45 N 1.52 0.95 -0.83 3.49 2.81 -0.74 -4.98 117.12 119.35 1m1p n MET 45 Ca 0.23 -1.78 -0.15 0.00 -1.81 0.00 0.00 57.70 54.19 1m1p n MET 45 Cb 0.61 0.07 0.12 0.00 -0.71 0.00 0.00 33.22 33.31 1m1p n MET 45 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1m1p n ASP 46 N -2.19 -0.54 0.30 7.83 5.68 -1.26 -4.39 116.55 121.98 1m1p n ASP 46 Ca 0.03 -1.10 0.18 0.00 -0.50 0.00 0.00 54.79 53.40 1m1p n ASP 46 Cb 0.33 -0.53 0.91 0.00 -1.14 0.00 0.00 41.12 40.70 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 -2.07 1.08 0.19 2.12 0.00 -1.98 -0.62 119.26 117.97 1m1p h ALA 47 Ca -0.22 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1m1p h ALA 47 Cb 0.63 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.45 1m1p h ALA 47 CO 0.15 0.04 -1.34 0.28 0.00 0.00 0.00 179.25 178.38 1m1p h VAL 48 N 0.00 1.29 0.00 0.00 2.07 -1.92 -3.41 116.25 114.28 1m1p h VAL 48 Ca -0.00 -2.57 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 1m1p h VAL 48 Cb 0.26 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1m1p h VAL 48 CO 0.00 0.77 -0.21 0.45 0.02 0.00 0.00 177.57 178.60 1m1p h HIS 49 N 0.19 0.00 -0.73 1.57 3.86 -1.63 -3.40 115.15 115.01 1m1p h HIS 49 Ca -0.22 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.12 1m1p h HIS 49 Cb 2.03 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.41 1m1p h HIS 49 CO 0.13 1.08 0.30 -0.22 0.86 0.00 0.00 177.93 180.07 1m1p h LYS 50 N -1.00 0.44 0.00 2.45 3.64 -1.21 -1.18 116.57 119.72 1m1p h LYS 50 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1m1p h LYS 50 Cb 1.05 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1m1p h LYS 50 CO -0.04 0.29 0.05 -2.30 -2.27 0.00 0.00 179.45 175.18 1m1p n PRO 51 N -4.98 0.12 0.00 1.90 -0.02 -1.26 -1.82 135.00 128.93 1m1p n PRO 51 Ca 0.13 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 1m1p n PRO 51 Cb 0.38 -1.93 0.23 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.15 0.00 -1.68 6.00 8.25 -0.44 -4.89 115.22 120.31 1m1p n HIS 52 Ca -0.01 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.99 1m1p n HIS 52 Cb 0.07 -0.05 -0.04 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 -0.10 3.62 0.00 0.41 2.03 -0.76 -1.63 116.55 120.12 1m1p n ASP 53 Ca 0.12 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1m1p n ASP 53 Cb 0.42 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 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 4.23 2.06 0.07 0.27 0.00 -1.26 -4.81 105.19 105.74 1m1p n GLY 54 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 2.75 -4.39 1.61 3.02 -0.65 -5.06 115.26 112.54 1m1p n ASN 55 Ca 0.00 -0.07 -0.23 0.00 -0.03 0.00 0.00 54.58 54.25 1m1p n ASN 55 Cb 0.00 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 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 -5.79 2.51 0.37 3.41 1.43 -0.69 -5.15 118.68 114.78 1m1p s LEU 56 Ca -0.19 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1m1p s LEU 56 Cb 0.05 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 1m1p s LEU 56 CO 0.36 -0.01 0.52 0.68 0.23 0.00 0.00 176.35 178.13 1m1p s VAL 57 N -2.33 3.92 0.25 -1.59 -7.23 -1.26 -4.80 120.40 107.36 1m1p s VAL 57 Ca 0.22 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 1m1p s VAL 57 Cb -0.05 -3.37 0.23 0.00 0.56 0.00 0.00 36.38 33.75 1m1p s VAL 57 CO 0.10 -0.17 1.79 0.00 -0.31 0.00 0.00 175.10 176.51 1m1p n ALA 59 N -2.39 1.46 0.27 0.00 0.00 -1.26 -1.00 120.51 117.59 1m1p n ALA 59 Ca 0.15 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.85 1m1p n ALA 59 Cb 0.35 -1.35 0.74 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.71 -3.35 116.42 114.68 1m1p h ASP 60 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1m1p h ASP 60 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1m1p h ASP 60 CO 0.00 0.09 -1.55 0.00 -1.72 0.00 0.00 179.24 176.06 1m1p s HIS 62 N -2.18 2.61 -0.96 0.00 3.76 -0.17 -4.72 115.29 113.64 1m1p s HIS 62 Ca -0.14 -0.50 -0.18 0.00 -0.15 0.00 0.00 55.06 54.10 1m1p s HIS 62 Cb 0.05 -4.37 0.14 0.00 1.11 0.00 0.00 32.58 29.51 1m1p s HIS 62 CO 0.18 -1.73 1.15 0.00 -0.85 0.00 0.00 174.74 173.48 1m1p s ALA 63 N 4.35 3.49 0.35 -1.40 0.00 -1.26 -4.17 121.76 123.12 1m1p s ALA 63 Ca 0.26 -2.88 0.30 0.00 0.00 0.00 0.00 51.96 49.64 1m1p s ALA 63 Cb -0.14 -4.03 1.49 0.00 0.00 0.00 0.00 23.12 20.44 1m1p s ALA 63 CO 0.10 -2.92 2.06 -0.39 0.00 0.00 0.00 175.76 174.61 1m1p h VAL 64 N 5.62 0.39 0.00 0.00 -1.51 -1.90 -0.90 116.25 117.95 1m1p h VAL 64 Ca 0.17 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1m1p h VAL 64 Cb 1.01 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1m1p h VAL 64 CO 1.11 0.10 -0.49 1.41 -1.23 0.00 0.00 177.57 178.46 1m1p n HIS 65 N -3.44 0.36 -0.01 5.19 8.25 -1.26 -0.71 115.22 123.61 1m1p n HIS 65 Ca -0.01 0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1m1p n HIS 65 Cb 0.25 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.76 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 -1.88 3.13 -4.72 0.41 8.00 -0.52 -4.93 116.55 116.05 1m1p n ASP 66 Ca 0.04 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.21 1m1p n ASP 66 Cb 0.40 1.33 -0.08 0.00 -0.02 0.00 0.00 41.12 42.75 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 -2.55 2.95 0.55 -1.24 -1.94 -0.46 -5.04 119.30 111.58 1m1p s MET 67 Ca -0.03 -0.49 -0.16 0.00 -1.71 0.00 0.00 55.69 53.30 1m1p s MET 67 Cb 0.05 -2.78 -0.06 0.00 2.01 0.00 0.00 34.83 34.05 1m1p s MET 67 CO 0.34 0.66 1.01 -0.80 -0.01 0.00 0.00 175.02 176.22 1m1p s ASN 68 N -1.36 6.34 0.00 3.03 0.01 -1.26 -1.28 114.94 120.41 1m1p s ASN 68 Ca 0.18 1.62 -0.35 0.00 -0.71 0.00 0.00 52.86 53.60 1m1p s ASN 68 Cb -0.12 -2.51 -0.13 0.00 0.41 0.00 0.00 41.25 38.90 1m1p s ASN 68 CO 0.08 -0.79 1.74 0.52 -1.51 0.00 0.00 177.10 177.14 1m1p n VAL 69 N -1.86 0.33 0.00 1.60 0.31 -0.05 -1.32 118.33 117.33 1m1p n VAL 69 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1m1p n VAL 69 Cb 0.54 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 3.94 3.18 3.68 2.92 0.00 -1.26 -4.93 105.19 112.72 1m1p n GLY 70 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.80 4.23 -0.06 1.61 0.74 -0.44 -4.99 119.66 119.95 1m1p s GLN 71 Ca 0.00 2.15 -0.21 0.00 0.05 0.00 0.00 55.36 57.35 1m1p s GLN 71 Cb 0.00 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 1m1p s GLN 71 CO 0.00 -0.70 0.59 0.15 -0.55 0.00 0.00 175.29 174.78 1m1p s LYS 72 N 2.89 4.36 0.53 1.67 1.02 -1.26 -4.89 119.74 124.06 1m1p s LYS 72 Ca 0.70 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 57.16 1m1p s LYS 72 Cb -0.35 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 1m1p s LYS 72 CO 0.29 0.20 1.16 -2.30 -0.92 0.00 0.00 175.35 173.78 1m1p n PRO 73 N 3.39 1.38 -2.51 -1.68 -0.02 -1.26 -5.03 135.00 129.27 1m1p n PRO 73 Ca -0.05 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1m1p n PRO 73 Cb 0.51 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.11 0.00 0.01 3.45 -2.24 -1.26 -4.84 114.28 108.29 1m1p n THR 74 Ca 0.11 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1m1p n THR 74 Cb 0.44 -0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.29 114.58 120.53 1m1p h GLU 76 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1m1p h GLU 76 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1m1p h GLU 76 CO 0.00 0.12 0.00 0.66 0.05 0.00 0.00 179.01 179.84 1m1p h SER 77 N 0.00 0.00 0.00 3.06 4.64 -2.01 -3.33 113.55 115.91 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1m1p h SER 77 CO 0.02 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 175.36 1m1p s HIS 79 N -1.35 2.59 -1.29 0.00 3.76 -0.53 -5.01 115.29 113.46 1m1p s HIS 79 Ca 0.00 -0.62 0.21 0.00 -0.15 0.00 0.00 55.06 54.49 1m1p s HIS 79 Cb 0.00 -1.67 -0.15 0.00 1.11 0.00 0.00 32.58 31.87 1m1p s HIS 79 CO 0.00 -0.15 0.93 -0.40 -0.85 0.00 0.00 174.74 174.27 1m1p n ASP 80 N 3.00 1.30 0.00 1.40 5.68 -1.26 -4.13 116.55 122.54 1m1p n ASP 80 Ca -0.18 -1.15 0.11 0.00 -0.50 0.00 0.00 54.79 53.07 1m1p n ASP 80 Cb 0.52 0.83 0.64 0.00 -1.14 0.00 0.00 41.12 41.97 1m1p n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1m1p n ASP 81 N -1.01 0.00 0.00 -1.12 5.75 -1.26 -4.88 116.55 114.03 1m1p n ASP 81 Ca 0.05 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 1m1p n ASP 81 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.75 0.60 3.63 6.12 0.00 -1.26 -5.03 105.19 110.00 1m1p n GLY 82 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1m1p n GLY 82 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1m1p n ARG 83 N -2.79 0.35 -4.02 1.61 1.85 -1.26 -5.04 116.66 107.35 1m1p n ARG 83 Ca 0.00 0.18 -0.09 0.00 -1.00 0.00 0.00 57.85 56.94 1m1p n ARG 83 Cb 0.00 -2.27 -0.09 0.00 -1.05 0.00 0.00 32.46 29.05 1m1p n ARG 83 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1m1p s THR 84 N -1.96 0.13 0.44 8.89 -4.23 -1.26 -4.61 115.64 113.05 1m1p s THR 84 Ca 0.72 -1.59 0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1m1p s THR 84 Cb -0.32 -1.72 0.28 0.00 1.34 0.00 0.00 72.50 72.08 1m1p s THR 84 CO 0.52 -0.57 2.06 0.77 -0.54 0.00 0.00 174.62 176.85 1m1p h SER 85 N 2.81 0.32 -0.57 3.99 4.64 -1.97 -1.04 113.55 121.74 1m1p h SER 85 Ca -0.34 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 1m1p h SER 85 Cb 1.19 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1m1p h SER 85 CO 0.57 0.23 0.13 0.00 -0.87 0.00 0.00 176.83 176.89 1m1p h ALA 86 N 1.79 0.75 -0.29 5.18 0.00 -1.97 0.15 119.26 124.88 1m1p h ALA 86 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1m1p h ALA 86 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1m1p h ALA 86 CO -0.03 0.46 -0.25 0.66 0.00 0.00 0.00 179.25 180.09 1m1p h SER 87 N 0.82 0.57 0.07 0.00 4.64 -1.63 -3.18 113.55 114.84 1m1p h SER 87 Ca 0.18 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1m1p h SER 87 Cb 0.36 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1m1p h SER 87 CO 0.00 0.81 -0.59 0.58 -0.87 0.00 0.00 176.83 176.76 1m1p h VAL 88 N 0.50 1.53 0.00 0.95 2.07 -1.19 -3.48 116.25 116.64 1m1p h VAL 88 Ca 0.07 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1m1p h VAL 88 Cb 0.69 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1m1p h VAL 88 CO 0.05 0.65 0.00 0.18 0.02 0.00 0.00 177.57 178.47