#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 nan 0.14 0.49 0.00 0.74 -1.26 -5.05 119.66 nan 1m1p s GLN 3 Ca nan 0.01 -0.23 0.00 0.05 0.00 0.00 55.36 nan 1m1p s GLN 3 Cb nan -0.22 -0.06 0.00 1.10 0.00 0.00 33.01 nan 1m1p s GLN 3 CO nan -0.03 1.26 0.15 -0.55 0.00 0.00 175.29 nan 1m1p s LYS 4 N 0.37 3.52 0.34 1.67 -0.14 -1.26 -0.42 119.74 123.82 1m1p s LYS 4 Ca -0.03 2.01 0.02 0.00 -1.36 0.00 0.00 55.97 56.61 1m1p s LYS 4 Cb -0.05 -2.38 0.61 0.00 -1.68 0.00 0.00 37.83 34.32 1m1p s LYS 4 CO -0.01 -0.81 1.99 1.25 -0.76 0.00 0.00 175.35 177.01 1m1p h LEU 5 N 1.87 0.77 -0.18 3.17 5.85 -0.91 -0.89 115.31 124.99 1m1p h LEU 5 Ca -0.50 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.25 1m1p h LEU 5 Cb 1.27 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1m1p h LEU 5 CO 0.59 0.55 -0.08 0.77 -0.34 0.00 0.00 178.44 179.93 1m1p h SER 6 N 0.90 -0.26 -0.28 1.25 4.64 -1.36 -2.06 113.55 116.38 1m1p h SER 6 Ca 0.26 0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 1m1p h SER 6 Cb -0.04 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1m1p h SER 6 CO -0.06 -0.10 -0.16 0.44 -0.87 0.00 0.00 176.83 176.07 1m1p h ASP 7 N -0.05 0.72 -0.28 4.97 3.32 -1.66 -0.88 116.42 122.55 1m1p h ASP 7 Ca 0.10 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 56.97 1m1p h ASP 7 Cb 0.20 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1m1p h ASP 7 CO -0.22 0.89 -0.00 0.15 -1.72 0.00 0.00 179.24 178.34 1m1p h PHE 8 N 0.64 -0.02 -0.50 4.55 3.57 -0.99 -1.95 116.94 122.24 1m1p h PHE 8 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1m1p h PHE 8 Cb 0.64 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1m1p h PHE 8 CO 0.03 -0.05 -0.14 0.45 -2.23 0.00 0.00 178.31 176.38 1m1p h HIS 9 N 0.08 1.06 0.00 0.41 3.86 -1.20 -3.17 115.15 116.18 1m1p h HIS 9 Ca 0.13 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1m1p h HIS 9 Cb 0.18 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1m1p h HIS 9 CO -0.22 1.01 -0.11 0.00 0.86 0.00 0.00 177.93 179.47 1m1p h ALA 10 N 1.00 1.16 -0.91 2.45 0.00 -0.81 -1.96 119.26 120.18 1m1p h ALA 10 Ca 0.13 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1m1p h ALA 10 Cb 0.68 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1m1p h ALA 10 CO 0.05 0.14 0.53 1.05 0.00 0.00 0.00 179.25 181.02 1m1p h GLU 11 N 0.00 0.79 0.00 0.00 4.11 -1.33 0.04 114.58 118.19 1m1p h GLU 11 Ca -0.00 -0.05 -0.35 0.00 0.07 0.00 0.00 59.36 59.03 1m1p h GLU 11 Cb 0.41 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1m1p h GLU 11 CO 0.01 0.52 -2.20 0.43 0.07 0.00 0.00 179.01 177.85 1m1p n SER 12 N -4.74 0.33 0.00 3.06 7.64 -0.94 -4.69 113.62 114.29 1m1p n SER 12 Ca 0.17 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1m1p n SER 12 Cb 0.37 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1m1p n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m1p n GLY 13 N 1.71 -0.49 1.02 0.23 0.00 -0.78 -5.10 105.19 101.78 1m1p n GLY 13 Ca -0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.37 -2.03 0.24 -0.02 0.00 -0.00 -2.66 105.19 101.09 1m1p n GLY 14 Ca 0.00 -1.30 0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.93 0.10 -0.24 0.00 0.00 -1.26 -1.96 120.64 113.36 1m1p n GLU 16 Ca -0.02 0.15 0.04 0.00 0.00 0.00 0.00 57.16 57.33 1m1p n GLU 16 Cb 0.25 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.47 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 0.81 0.00 -1.84 4.64 -1.23 -3.31 113.55 112.62 1m1p h SER 17 Ca 0.00 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1m1p h SER 17 Cb 0.27 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1m1p h SER 17 CO 0.00 0.54 -1.59 0.00 -0.87 0.00 0.00 176.83 174.91 1m1p s HIS 19 N -2.27 2.93 0.09 0.00 3.76 -0.83 0.38 115.29 119.35 1m1p s HIS 19 Ca -0.04 -0.49 -0.31 0.00 -0.15 0.00 0.00 55.06 54.07 1m1p s HIS 19 Cb 0.03 -1.92 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 1m1p s HIS 19 CO 0.37 -0.14 1.86 1.17 -0.85 0.00 0.00 174.74 177.14 1m1p n LYS 20 N 3.61 2.71 -2.06 1.40 3.00 -1.26 -1.22 118.16 124.34 1m1p n LYS 20 Ca -0.18 0.99 -0.17 0.00 -0.00 0.00 0.00 58.31 58.95 1m1p n LYS 20 Cb 0.52 -2.88 -0.03 0.00 0.00 0.00 0.00 35.03 32.64 1m1p n LYS 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m1p n ASP 21 N 6.00 -4.81 -0.41 3.14 8.00 -1.26 -1.76 116.55 125.45 1m1p n ASP 21 Ca 0.19 0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.85 1m1p n ASP 21 Cb 0.37 -4.14 -0.02 0.00 -0.02 0.00 0.00 41.12 37.30 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 -0.69 0.72 3.23 0.44 0.00 -0.36 -4.98 105.19 103.56 1m1p n GLY 22 Ca -0.19 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.93 1.96 0.37 2.61 2.01 -0.72 -4.90 115.64 115.05 1m1p s THR 23 Ca 0.00 -1.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1m1p s THR 23 Cb 0.00 -1.68 -0.10 0.00 0.01 0.00 0.00 72.50 70.73 1m1p s THR 23 CO 0.00 0.54 1.37 -2.16 -0.69 0.00 0.00 174.62 173.68 1m1p s PRO 24 N 0.05 4.12 0.89 4.92 0.04 -1.26 -3.97 135.00 139.78 1m1p s PRO 24 Ca -0.09 2.33 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1m1p s PRO 24 Cb -0.15 -2.92 0.13 0.00 0.04 0.00 0.00 34.50 31.59 1m1p s PRO 24 CO 0.05 -0.43 1.15 -1.54 0.04 0.00 0.00 177.00 176.28 1m1p s SER 25 N -0.45 3.73 0.29 6.66 1.04 -1.26 -4.96 113.70 118.74 1m1p s SER 25 Ca 0.53 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.87 1m1p s SER 25 Cb -0.42 -1.45 0.43 0.00 0.10 0.00 0.00 66.02 64.69 1m1p s SER 25 CO 0.55 -2.41 1.81 0.00 0.98 0.00 0.00 173.24 174.17 1m1p h ALA 26 N -1.40 1.21 0.00 5.32 0.00 -2.05 -3.37 119.26 118.97 1m1p h ALA 26 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1m1p h ALA 26 Cb 1.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1m1p h ALA 26 CO 0.62 0.52 0.00 -0.40 0.00 0.00 0.00 179.25 180.00 1m1p n ASP 27 N -4.25 0.47 0.00 0.00 3.85 -1.26 -5.02 116.55 110.34 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 0.27 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.05 0.68 0.14 6.12 0.00 -1.26 -4.94 105.19 105.88 1m1p n GLY 28 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.29 -0.54 4.61 0.00 -1.95 -1.69 119.26 119.98 1m1p h ALA 29 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1m1p h ALA 29 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1m1p h ALA 29 CO 0.00 -0.00 0.32 0.35 0.00 0.00 0.00 179.25 179.91 1m1p h PHE 30 N 0.15 0.72 -0.28 0.00 3.57 -1.92 -1.02 116.94 118.17 1m1p h PHE 30 Ca 0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1m1p h PHE 30 Cb 0.38 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1m1p h PHE 30 CO 0.03 0.51 0.16 0.93 -2.23 0.00 0.00 178.31 177.71 1m1p h GLU 31 N 0.72 0.31 -0.89 1.11 3.07 -1.65 -1.29 114.58 115.97 1m1p h GLU 31 Ca 0.19 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1m1p h GLU 31 Cb 0.01 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.80 1m1p h GLU 31 CO -0.03 0.21 0.56 0.35 -1.40 0.00 0.00 179.01 178.70 1m1p h PHE 32 N 0.32 1.15 -0.99 4.33 3.57 -1.00 -1.05 116.94 123.27 1m1p h PHE 32 Ca 0.11 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1m1p h PHE 32 Cb 0.00 -0.38 -0.06 0.00 2.79 0.00 0.00 35.95 38.30 1m1p h PHE 32 CO -0.08 0.74 0.64 0.00 -2.23 0.00 0.00 178.31 177.38 1m1p h ALA 33 N 1.31 1.35 -0.35 2.41 0.00 -0.85 -2.24 119.26 120.88 1m1p h ALA 33 Ca 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1m1p h ALA 33 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1m1p h ALA 33 CO -0.07 0.46 -0.10 1.96 0.00 0.00 0.00 179.25 181.51 1m1p h GLN 34 N 1.18 0.69 -0.61 0.00 1.08 -0.45 -0.76 115.11 116.24 1m1p h GLN 34 Ca 0.42 -0.27 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1m1p h GLN 34 Cb 0.12 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.44 1m1p h GLN 34 CO -0.16 0.85 0.25 0.00 -0.95 0.00 0.00 178.83 178.83 1m1p h GLN 36 N 0.45 0.26 -0.91 0.00 4.20 -1.24 -0.69 115.11 117.17 1m1p h GLN 36 Ca 0.30 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1m1p h GLN 36 Cb 0.35 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1m1p h GLN 36 CO -0.28 0.67 0.52 1.03 -0.67 0.00 0.00 178.83 180.10 1m1p h SER 37 N 0.21 1.13 0.51 1.46 0.87 -0.58 0.27 113.55 117.41 1m1p h SER 37 Ca 0.01 -0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.19 1m1p h SER 37 Cb 0.90 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1m1p h SER 37 CO 0.07 0.89 -1.63 0.00 -0.53 0.00 0.00 176.83 175.64 1m1p n HIS 39 N -3.20 0.00 0.00 0.00 -0.00 -0.28 -5.12 115.22 106.62 1m1p n HIS 39 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1m1p n HIS 39 Cb 1.04 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.75 1m1p n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1m1p n GLY 40 N 1.85 -3.18 3.86 -1.41 0.00 0.08 -5.02 105.19 101.36 1m1p n GLY 40 Ca -0.03 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.79 3.16 0.40 1.61 -0.14 -1.26 -4.30 119.74 118.42 1m1p s LYS 41 Ca 0.00 -0.66 0.13 0.00 -1.36 0.00 0.00 55.97 54.08 1m1p s LYS 41 Cb 0.00 -2.84 0.96 0.00 -1.68 0.00 0.00 37.83 34.27 1m1p s LYS 41 CO 0.00 0.54 1.91 -0.07 -0.76 0.00 0.00 175.35 176.97 1m1p h LEU 42 N 2.68 0.49 -2.32 3.17 3.38 -1.96 -0.43 115.31 120.32 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 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1m1p h LEU 42 CO 0.68 0.26 0.00 0.77 0.09 0.00 0.00 178.44 180.24 1m1p h SER 43 N 0.53 0.00 -0.36 -0.43 4.64 -1.90 -2.06 113.55 113.96 1m1p h SER 43 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1m1p h SER 43 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 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 -2.77 2.37 -1.02 4.77 4.71 -0.17 -4.98 120.64 123.55 1m1p n GLU 44 Ca -0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 57.16 55.07 1m1p n GLU 44 Cb 0.07 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 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 0.93 1.04 -1.19 3.49 2.00 -0.78 -5.00 117.12 117.62 1m1p n MET 45 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.62 1m1p n MET 45 Cb 0.47 0.00 0.17 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 -2.93 -0.65 0.13 7.83 5.68 -1.26 -4.42 116.55 120.93 1m1p n ASP 46 Ca 0.00 -1.23 0.12 0.00 -0.50 0.00 0.00 54.79 53.19 1m1p n ASP 46 Cb 0.00 -0.76 0.48 0.00 -1.14 0.00 0.00 41.12 39.70 1m1p n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m1p n ALA 47 N -3.94 1.75 0.13 2.12 0.00 -1.26 -0.93 120.51 118.39 1m1p n ALA 47 Ca -0.16 0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1m1p n ALA 47 Cb 0.44 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 1m1p n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m1p h VAL 48 N 0.00 1.39 0.00 0.00 2.07 -1.92 -3.40 116.25 114.39 1m1p h VAL 48 Ca 0.00 -2.88 -0.06 0.00 0.82 0.00 0.00 66.70 64.59 1m1p h VAL 48 Cb 0.42 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1m1p h VAL 48 CO 0.00 0.85 -0.34 0.45 0.02 0.00 0.00 177.57 178.55 1m1p h HIS 49 N 0.11 0.00 -0.90 1.57 3.86 -1.66 -3.39 115.15 114.74 1m1p h HIS 49 Ca -0.20 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.19 1m1p h HIS 49 Cb 2.08 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 30.45 1m1p h HIS 49 CO 0.10 0.90 0.48 -0.22 0.86 0.00 0.00 177.93 180.05 1m1p h LYS 50 N -1.00 0.60 0.00 2.45 3.64 -1.07 -0.88 116.57 120.31 1m1p h LYS 50 Ca -0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1m1p h LYS 50 Cb 0.89 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1m1p h LYS 50 CO -0.05 0.40 0.00 -1.35 -2.27 0.00 0.00 179.45 176.17 1m1p h PRO 51 N 0.62 0.00 -0.03 1.90 0.11 -1.77 -1.92 132.00 130.91 1m1p h PRO 51 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1m1p h PRO 51 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1m1p h PRO 51 CO -0.40 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.11 1m1p n HIS 52 N -2.84 0.02 -1.65 0.65 8.25 -0.33 -4.83 115.22 114.48 1m1p n HIS 52 Ca -0.02 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1m1p n HIS 52 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1m1p n HIS 52 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1m1p s ASP 53 N -1.97 6.04 0.00 0.41 2.15 -0.72 -1.12 116.67 121.46 1m1p s ASP 53 Ca 0.37 2.34 0.00 0.00 0.43 0.00 0.00 52.55 55.69 1m1p s ASP 53 Cb 0.21 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1m1p s ASP 53 CO 0.33 -1.43 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 1m1p n GLY 54 N 5.04 0.78 0.00 2.66 0.00 -1.26 -4.87 105.19 107.54 1m1p n GLY 54 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1m1p n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m1p n ASN 55 N 0.00 4.43 -4.15 1.61 6.94 -0.27 -5.08 115.26 118.74 1m1p n ASN 55 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 1m1p n ASN 55 Cb 0.00 0.88 -0.11 0.00 -2.36 0.00 0.00 39.78 38.19 1m1p n ASN 55 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1m1p s LEU 56 N -2.69 2.39 0.37 -4.53 1.43 -0.84 -5.12 118.68 109.69 1m1p s LEU 56 Ca 0.00 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1m1p s LEU 56 Cb 0.00 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 1m1p s LEU 56 CO 0.00 -0.29 0.53 0.68 0.23 0.00 0.00 176.35 177.51 1m1p s VAL 57 N -2.41 4.05 0.22 -1.59 -7.23 -1.26 -4.81 120.40 107.37 1m1p s VAL 57 Ca 0.03 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1m1p s VAL 57 Cb -0.03 -3.43 0.17 0.00 0.56 0.00 0.00 36.38 33.65 1m1p s VAL 57 CO -0.01 -0.21 1.81 0.00 -0.31 0.00 0.00 175.10 176.38 1m1p n ALA 59 N -2.36 1.40 0.30 0.00 0.00 -1.26 -1.04 120.51 117.53 1m1p n ALA 59 Ca 0.10 0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.81 1m1p n ALA 59 Cb 0.20 -1.29 0.81 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.67 -3.34 116.42 114.72 1m1p h ASP 60 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1m1p h ASP 60 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1m1p h ASP 60 CO 0.00 0.00 -1.52 0.00 -1.72 0.00 0.00 179.24 176.00 1m1p s HIS 62 N -2.17 2.75 -0.86 0.00 3.76 -0.21 -4.69 115.29 113.86 1m1p s HIS 62 Ca -0.13 -0.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.34 1m1p s HIS 62 Cb 0.05 -4.14 0.11 0.00 1.11 0.00 0.00 32.58 29.71 1m1p s HIS 62 CO 0.17 -1.46 1.10 0.00 -0.85 0.00 0.00 174.74 173.70 1m1p s ALA 63 N 3.97 3.26 0.35 -1.40 0.00 -1.26 -4.14 121.76 122.54 1m1p s ALA 63 Ca 0.27 -2.50 0.13 0.00 0.00 0.00 0.00 51.96 49.86 1m1p s ALA 63 Cb -0.14 -4.03 0.71 0.00 0.00 0.00 0.00 23.12 19.66 1m1p s ALA 63 CO 0.15 -2.97 1.81 -0.39 0.00 0.00 0.00 175.76 174.36 1m1p h VAL 64 N 5.94 1.24 -0.01 0.00 -1.51 -1.89 0.14 116.25 120.17 1m1p h VAL 64 Ca 0.04 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1m1p h VAL 64 Cb 1.04 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1m1p h VAL 64 CO 1.15 0.38 -0.28 1.41 -1.23 0.00 0.00 177.57 179.00 1m1p n HIS 65 N -4.03 0.00 -0.02 5.19 8.25 -1.26 -1.05 115.22 122.31 1m1p n HIS 65 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1m1p n HIS 65 Cb 0.42 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.79 3.19 -4.82 0.41 8.00 -0.69 -4.93 116.55 116.91 1m1p n ASP 66 Ca 0.11 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 1m1p n ASP 66 Cb 0.34 1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 42.46 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 -2.40 3.72 0.60 -1.24 -1.94 0.41 -5.02 119.30 113.43 1m1p s MET 67 Ca -0.03 -0.17 -0.14 0.00 -1.71 0.00 0.00 55.69 53.64 1m1p s MET 67 Cb 0.04 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 1m1p s MET 67 CO 0.32 0.60 1.03 -0.80 -0.01 0.00 0.00 175.02 176.16 1m1p s ASN 68 N -0.50 5.99 0.14 3.03 0.01 -1.26 -0.97 114.94 121.38 1m1p s ASN 68 Ca 0.12 1.65 -0.35 0.00 -0.71 0.00 0.00 52.86 53.57 1m1p s ASN 68 Cb -0.12 -2.51 -0.15 0.00 0.41 0.00 0.00 41.25 38.89 1m1p s ASN 68 CO 0.02 -1.03 1.46 0.52 -1.51 0.00 0.00 177.10 176.56 1m1p n VAL 69 N -2.26 0.08 0.00 1.60 0.31 0.44 -1.21 118.33 117.30 1m1p n VAL 69 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1m1p n VAL 69 Cb 0.53 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 2.96 2.29 3.66 2.92 0.00 -1.26 -4.85 105.19 110.91 1m1p n GLY 70 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.82 4.22 -0.07 1.61 2.00 -0.35 -5.00 119.66 121.25 1m1p s GLN 71 Ca 0.00 1.93 -0.22 0.00 -2.00 0.00 0.00 55.36 55.07 1m1p s GLN 71 Cb 0.00 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.94 1m1p s GLN 71 CO 0.00 -0.75 0.65 0.15 -0.50 0.00 0.00 175.29 174.84 1m1p s LYS 72 N 3.56 4.41 0.58 1.67 1.02 -1.26 -4.94 119.74 124.79 1m1p s LYS 72 Ca 0.64 0.78 -0.20 0.00 0.02 0.00 0.00 55.97 57.21 1m1p s LYS 72 Cb -0.28 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1m1p s LYS 72 CO 0.23 0.10 1.35 -2.14 -0.92 0.00 0.00 175.35 173.97 1m1p s PRO 73 N 0.69 2.91 0.49 -1.68 0.02 -1.26 -5.05 135.00 131.12 1m1p s PRO 73 Ca 0.35 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.61 1m1p s PRO 73 Cb -0.17 -2.11 0.04 0.00 0.02 0.00 0.00 34.50 32.27 1m1p s PRO 73 CO 0.16 -1.36 0.30 0.25 -0.33 0.00 0.00 177.00 176.02 1m1p n THR 74 N -1.35 0.00 0.50 0.99 -2.24 -1.26 -4.91 114.28 106.01 1m1p n THR 74 Ca 0.12 -2.03 0.05 0.00 -2.27 0.00 0.00 64.05 59.93 1m1p n THR 74 Cb 0.46 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.28 0.00 0.00 0.00 9.09 -1.86 -1.87 114.58 120.22 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 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1m1p h GLU 76 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1m1p h SER 77 N 0.00 0.00 0.00 3.06 4.64 -2.01 -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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1m1p h SER 77 CO 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.60 1m1p s HIS 79 N -0.89 2.25 -2.35 0.00 3.76 -0.72 -5.04 115.29 112.29 1m1p s HIS 79 Ca 0.00 -0.48 0.19 0.00 -0.15 0.00 0.00 55.06 54.62 1m1p s HIS 79 Cb 0.00 -1.45 0.20 0.00 1.11 0.00 0.00 32.58 32.43 1m1p s HIS 79 CO 0.00 -0.08 1.15 -0.40 -0.85 0.00 0.00 174.74 174.57 1m1p n ASP 80 N 2.59 2.73 -0.51 1.40 5.75 -1.26 -4.28 116.55 122.97 1m1p n ASP 80 Ca -0.16 -1.83 0.12 0.00 -0.01 0.00 0.00 54.79 52.90 1m1p n ASP 80 Cb 0.52 -0.04 0.44 0.00 -1.03 0.00 0.00 41.12 41.00 1m1p n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1m1p n ASP 81 N 1.12 1.57 0.00 -1.12 5.75 -1.26 -4.93 116.55 117.67 1m1p n ASP 81 Ca 0.12 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1m1p n ASP 81 Cb 0.50 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.14 0.66 3.72 6.12 0.00 -1.26 -5.03 105.19 110.54 1m1p n GLY 82 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 2.26 0.29 1.61 1.70 -1.26 -5.05 118.95 118.36 1m1p s ARG 83 Ca 0.00 1.85 0.03 0.00 -0.47 0.00 0.00 55.73 57.15 1m1p s ARG 83 Cb 0.00 -1.84 -0.06 0.00 -0.57 0.00 0.00 34.95 32.48 1m1p s ARG 83 CO 0.00 -1.76 0.05 0.95 -1.08 0.00 0.00 175.30 173.46 1m1p s THR 84 N -1.80 1.02 0.36 4.99 -4.23 -1.26 -4.55 115.64 110.17 1m1p s THR 84 Ca 0.77 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1m1p s THR 84 Cb -0.32 -2.66 0.18 0.00 1.34 0.00 0.00 72.50 71.04 1m1p s THR 84 CO 0.43 -0.07 1.92 0.77 -0.54 0.00 0.00 174.62 177.13 1m1p h SER 85 N 2.25 0.45 -0.47 3.99 4.64 -1.97 -2.62 113.55 119.82 1m1p h SER 85 Ca -0.40 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1m1p h SER 85 Cb 1.24 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1m1p h SER 85 CO 0.66 0.49 -0.05 0.00 -0.87 0.00 0.00 176.83 177.06 1m1p h ALA 86 N 1.57 0.93 -0.05 5.18 0.00 -1.97 0.12 119.26 125.04 1m1p h ALA 86 Ca 0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1m1p h ALA 86 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1m1p h ALA 86 CO 0.00 0.63 -0.37 0.66 0.00 0.00 0.00 179.25 180.18 1m1p h SER 87 N 0.84 0.09 0.35 0.00 4.64 -1.88 -3.15 113.55 114.45 1m1p h SER 87 Ca 0.15 -0.03 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 1m1p h SER 87 Cb 0.57 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 1m1p h SER 87 CO 0.03 0.46 -1.83 0.52 -0.87 0.00 0.00 176.83 175.14 1m1p n VAL 88 N -4.08 1.67 2.00 0.95 0.31 -1.02 -4.98 118.33 113.18 1m1p n VAL 88 Ca -0.02 -0.75 0.16 0.00 -0.01 0.00 0.00 64.34 63.73 1m1p n VAL 88 Cb 0.42 -1.28 0.95 0.00 -0.91 0.00 0.00 33.84 33.02 1m1p n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69