#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3j h ALA 4 N 0.00 2.44 -0.06 -1.46 0.00 -2.10 -2.14 119.26 115.94 1s3j h ALA 4 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1s3j h ALA 4 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s3j h ALA 4 CO 0.00 -0.98 -0.80 -0.44 0.00 0.00 0.00 179.25 177.03 1s3j h ASP 5 N 0.23 0.81 -0.76 0.00 5.19 -2.09 -2.89 116.42 116.91 1s3j h ASP 5 Ca 0.72 -0.69 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1s3j h ASP 5 Cb 2.04 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 41.28 1s3j h ASP 5 CO -0.40 1.39 0.34 -0.61 -3.12 0.00 0.00 179.24 176.84 1s3j h GLN 6 N 0.31 1.12 -1.18 3.56 5.75 -1.90 -2.08 115.11 120.68 1s3j h GLN 6 Ca -0.08 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1s3j h GLN 6 Cb 1.45 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1s3j h GLN 6 CO 0.16 0.89 0.00 -0.11 -2.65 0.00 0.00 178.83 177.12 1s3j n LEU 7 N -4.35 0.16 0.00 -2.39 7.94 -0.97 -0.89 117.00 116.50 1s3j n LEU 7 Ca 0.07 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1s3j n LEU 7 Cb 0.15 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1s3j n LEU 7 CO 0.40 0.03 0.00 -1.20 -1.11 0.00 0.00 177.39 175.51 1s3j n SER 9 N 0.76 0.00 0.11 1.96 7.64 -0.78 -2.14 113.62 121.18 1s3j n SER 9 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1s3j n SER 9 Cb 0.03 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 1s3j n SER 9 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1s3j h ASP 10 N 0.00 -0.19 -0.36 6.43 3.32 -1.29 -1.82 116.42 122.51 1s3j h ASP 10 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1s3j h ASP 10 Cb 0.00 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1s3j h ASP 10 CO 0.00 -0.07 0.16 0.40 -1.72 0.00 0.00 179.24 178.02 1s3j h ILE 11 N -0.30 1.17 -0.42 0.35 2.04 -1.69 -0.72 117.51 117.94 1s3j h ILE 11 Ca -0.02 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1s3j h ILE 11 Cb 0.24 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1s3j h ILE 11 CO 0.04 0.18 0.16 -0.61 0.00 0.00 0.00 178.15 177.92 1s3j h GLN 12 N 0.44 0.33 -0.72 2.37 -0.00 -1.82 0.41 115.11 116.12 1s3j h GLN 12 Ca 0.12 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 1s3j h GLN 12 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.51 1s3j h GLN 12 CO -0.01 0.22 0.29 -0.07 0.00 0.00 0.00 178.83 179.25 1s3j h LEU 13 N 0.34 0.98 0.31 -2.39 3.38 -0.98 0.11 115.31 117.06 1s3j h LEU 13 Ca 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s3j h LEU 13 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1s3j h LEU 13 CO -0.18 0.88 -0.15 0.28 0.09 0.00 0.00 178.44 179.37 1s3j h SER 14 N 1.02 -0.35 -0.71 -0.43 0.02 -0.24 -1.88 113.55 110.97 1s3j h SER 14 Ca 0.24 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1s3j h SER 14 Cb 0.20 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1s3j h SER 14 CO -0.02 -0.15 0.46 -0.07 -1.14 0.00 0.00 176.83 175.90 1s3j h LEU 15 N -0.54 0.84 -0.72 5.07 3.38 -0.02 -1.30 115.31 122.01 1s3j h LEU 15 Ca -0.04 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1s3j h LEU 15 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1s3j h LEU 15 CO 0.07 0.62 -0.48 -0.61 0.09 0.00 0.00 178.44 178.14 1s3j h GLN 16 N 0.98 0.39 -0.11 1.13 4.15 -0.70 -0.30 115.11 120.64 1s3j h GLN 16 Ca 0.26 -0.22 -0.21 0.00 0.77 0.00 0.00 58.65 59.26 1s3j h GLN 16 Cb -0.08 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1s3j h GLN 16 CO -0.05 0.79 -0.77 0.00 -1.93 0.00 0.00 178.83 176.86 1s3j h ALA 17 N 1.18 0.44 -0.46 3.38 0.00 -0.82 -2.31 119.26 120.67 1s3j h ALA 17 Ca 0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1s3j h ALA 17 Cb 0.96 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1s3j h ALA 17 CO 0.08 0.73 0.02 -0.07 0.00 0.00 0.00 179.25 180.00 1s3j h LEU 18 N 0.40 0.78 0.78 0.00 3.38 -0.84 -2.73 115.31 117.08 1s3j h LEU 18 Ca -0.05 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1s3j h LEU 18 Cb 1.37 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1s3j h LEU 18 CO 0.15 0.89 -0.37 0.15 0.09 0.00 0.00 178.44 179.34 1s3j h PHE 19 N 0.66 -0.97 -1.10 1.13 3.57 -1.08 0.21 116.94 119.35 1s3j h PHE 19 Ca 0.13 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 61.93 1s3j h PHE 19 Cb 0.48 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1s3j h PHE 19 CO 0.04 -0.59 0.80 1.96 -2.23 0.00 0.00 178.31 178.29 1s3j h GLN 20 N -1.20 0.00 0.04 1.11 4.20 -1.48 0.29 115.11 118.08 1s3j h GLN 20 Ca -0.11 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 1s3j h GLN 20 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1s3j h GLN 20 CO 0.18 0.00 -1.54 -0.22 -0.67 0.00 0.00 178.83 176.57 1s3j h LYS 21 N 0.00 0.08 0.01 1.46 3.64 -1.13 -3.40 116.57 117.23 1s3j h LYS 21 Ca 0.52 -0.14 -0.38 0.00 -1.27 0.00 0.00 60.65 59.39 1s3j h LYS 21 Cb 2.12 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.92 1s3j h LYS 21 CO -0.01 0.80 -2.36 -0.89 -2.27 0.00 0.00 179.45 174.72 1s3j n ILE 22 N -3.24 1.48 0.17 2.00 5.41 0.69 -4.22 119.36 121.66 1s3j n ILE 22 Ca -0.14 -0.70 -0.14 0.00 1.00 0.00 0.00 62.75 62.77 1s3j n ILE 22 Cb 1.03 -1.07 -0.07 0.00 -0.71 0.00 0.00 39.64 38.82 1s3j n ILE 22 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1s3j h GLN 23 N 0.01 -0.54 -0.97 0.38 -0.00 -0.69 -2.48 115.11 110.83 1s3j h GLN 23 Ca -0.54 0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.28 1s3j h GLN 23 Cb 2.05 0.12 -0.08 0.00 0.00 0.00 0.00 27.48 29.57 1s3j h GLN 23 CO -0.02 -0.36 0.61 -1.35 0.00 0.00 0.00 178.83 177.71 1s3j h PRO 24 N -0.56 0.84 -0.69 -2.39 0.11 -1.77 -0.09 132.00 127.45 1s3j h PRO 24 Ca -0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1s3j h PRO 24 Cb 0.52 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1s3j h PRO 24 CO -0.07 0.56 0.00 -1.91 -0.21 0.00 0.00 178.00 176.37 1s3j n GLU 25 N -4.61 0.31 0.00 1.05 2.13 -0.93 -0.95 120.64 117.63 1s3j n GLU 25 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1s3j n GLU 25 Cb 0.42 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.92 1s3j n GLU 25 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1s3j n LEU 27 N 0.48 0.00 -0.03 4.31 4.77 -0.05 -2.19 117.00 124.30 1s3j n LEU 27 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1s3j n LEU 27 Cb 0.10 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1s3j n LEU 27 CO 0.00 0.00 0.46 -0.08 -1.33 0.00 0.00 177.39 176.44 1s3j h GLU 28 N 0.00 0.70 -0.97 3.23 4.81 -1.29 -2.17 114.58 118.89 1s3j h GLU 28 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1s3j h GLU 28 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1s3j h GLU 28 CO 0.00 1.07 0.00 0.45 -0.73 0.00 0.00 179.01 179.80 1s3j n SER 29 N -3.98 0.65 0.00 1.04 2.88 -0.93 -2.60 113.62 110.68 1s3j n SER 29 Ca -0.04 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 1s3j n SER 29 Cb 0.62 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1s3j n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s3j n GLU 31 N 0.57 0.00 -0.01 -1.46 1.02 -0.82 -2.75 120.64 117.20 1s3j n GLU 31 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1s3j n GLU 31 Cb 0.12 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 31.70 1s3j n GLU 31 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1s3j h LYS 32 N 0.00 0.55 -0.00 3.49 1.63 -1.78 -2.08 116.57 118.37 1s3j h LYS 32 Ca 0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1s3j h LYS 32 Cb 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1s3j h LYS 32 CO 0.00 0.78 -0.01 1.04 -3.45 0.00 0.00 179.45 177.81 1s3j n GLN 33 N -4.09 0.89 -0.80 1.90 1.13 -1.11 -4.93 117.38 110.36 1s3j n GLN 33 Ca -0.01 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1s3j n GLN 33 Cb 0.44 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.29 1s3j n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s3j n GLY 34 N 1.11 0.82 3.63 1.08 0.00 -0.78 -5.04 105.19 106.01 1s3j n GLY 34 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1s3j n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s3j s VAL 35 N -3.17 3.74 0.46 1.61 -7.23 -1.26 -4.98 120.40 109.57 1s3j s VAL 35 Ca 0.00 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1s3j s VAL 35 Cb 0.00 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1s3j s VAL 35 CO 0.00 0.18 0.65 0.42 -0.31 0.00 0.00 175.10 176.04 1s3j s THR 36 N -1.21 3.17 0.32 5.32 -4.23 -1.26 -4.08 115.64 113.66 1s3j s THR 36 Ca 0.22 -0.80 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1s3j s THR 36 Cb -0.11 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 70.91 1s3j s THR 36 CO 0.14 -0.07 1.83 -0.65 -0.54 0.00 0.00 174.62 175.33 1s3j h PRO 37 N 0.43 0.79 -0.17 3.99 0.11 -1.99 0.38 132.00 135.53 1s3j h PRO 37 Ca -0.42 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1s3j h PRO 37 Cb 1.28 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s3j h PRO 37 CO 0.50 0.52 -0.75 0.00 -0.21 0.00 0.00 178.00 178.06 1s3j h ALA 38 N 1.59 0.34 -0.60 -0.75 0.00 -1.99 -1.09 119.26 116.75 1s3j h ALA 38 Ca 0.51 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1s3j h ALA 38 Cb 0.72 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1s3j h ALA 38 CO -0.28 0.69 0.16 1.96 0.00 0.00 0.00 179.25 181.78 1s3j h GLN 39 N 0.55 0.93 -0.64 0.00 4.20 -1.88 -2.00 115.11 116.27 1s3j h GLN 39 Ca -0.05 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1s3j h GLN 39 Cb 1.38 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1s3j h GLN 39 CO 0.16 0.82 0.06 1.25 -0.67 0.00 0.00 178.83 180.44 1s3j h LEU 40 N 0.90 1.05 -1.17 1.46 5.85 -0.74 -1.08 115.31 121.57 1s3j h LEU 40 Ca 0.20 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1s3j h LEU 40 Cb 0.30 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1s3j h LEU 40 CO -0.00 1.07 0.44 0.15 -0.34 0.00 0.00 178.44 179.76 1s3j h PHE 41 N 1.00 0.98 -0.19 1.25 3.57 -0.84 -1.21 116.94 121.50 1s3j h PHE 41 Ca 0.19 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1s3j h PHE 41 Cb 0.50 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1s3j h PHE 41 CO 0.04 0.66 -0.20 0.28 -2.23 0.00 0.00 178.31 176.85 1s3j h VAL 42 N 1.03 1.33 -0.90 1.41 2.07 -0.80 -1.94 116.25 118.46 1s3j h VAL 42 Ca 0.27 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1s3j h VAL 42 Cb -0.03 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1s3j h VAL 42 CO -0.05 0.41 0.59 -0.07 0.02 0.00 0.00 177.57 178.47 1s3j h LEU 43 N 0.14 0.98 -0.18 2.57 3.38 -0.91 -1.62 115.31 119.68 1s3j h LEU 43 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1s3j h LEU 43 Cb 0.75 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1s3j h LEU 43 CO 0.05 0.68 -0.25 0.00 0.09 0.00 0.00 178.44 179.02 1s3j h ALA 44 N 1.36 0.27 -0.61 1.53 0.00 -1.18 -1.16 119.26 119.48 1s3j h ALA 44 Ca 0.35 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1s3j h ALA 44 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1s3j h ALA 44 CO -0.11 0.25 0.41 0.77 0.00 0.00 0.00 179.25 180.57 1s3j h SER 45 N 0.14 0.28 0.62 0.00 0.02 -1.20 -1.89 113.55 111.52 1s3j h SER 45 Ca 0.02 0.01 -0.27 0.00 -0.84 0.00 0.00 61.79 60.71 1s3j h SER 45 Cb 0.81 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1s3j h SER 45 CO 0.06 0.16 -1.39 -0.07 -1.14 0.00 0.00 176.83 174.45 1s3j h LEU 46 N 0.31 0.23 -0.62 5.07 3.38 -1.01 -1.99 115.31 120.68 1s3j h LEU 46 Ca 0.29 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1s3j h LEU 46 Cb 0.71 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1s3j h LEU 46 CO -0.07 1.25 0.26 0.50 0.09 0.00 0.00 178.44 180.48 1s3j h LYS 47 N 0.04 0.92 0.15 1.13 1.63 -1.02 -0.75 116.57 118.67 1s3j h LYS 47 Ca -0.18 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1s3j h LYS 47 Cb 1.95 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1s3j h LYS 47 CO 0.15 0.77 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.62 1s3j h LYS 48 N 0.87 -0.20 -0.01 1.90 3.64 -1.41 -3.35 116.57 118.01 1s3j h LYS 48 Ca 0.21 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1s3j h LYS 48 Cb 0.18 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1s3j h LYS 48 CO -0.02 0.22 -0.31 0.72 -2.27 0.00 0.00 179.45 177.79 1s3j n HIS 49 N -4.97 0.00 0.00 1.91 8.25 -0.75 -4.98 115.22 114.69 1s3j n HIS 49 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1s3j n HIS 49 Cb 0.26 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1s3j n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s3j n GLY 50 N 1.36 1.34 3.01 -1.41 0.00 -0.29 -4.75 105.19 104.45 1s3j n GLY 50 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1s3j n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s3j s SER 51 N 0.00 0.82 0.01 1.61 0.15 -1.26 -4.33 113.70 110.70 1s3j s SER 51 Ca 0.00 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 1s3j s SER 51 Cb 0.00 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 1s3j s SER 51 CO 0.00 -0.01 0.02 -0.76 1.20 0.00 0.00 173.24 173.69 1s3j s LEU 52 N -0.65 2.01 0.69 3.45 1.43 -1.06 -4.99 118.68 119.56 1s3j s LEU 52 Ca -0.01 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 1s3j s LEU 52 Cb -0.05 0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.40 1s3j s LEU 52 CO 0.00 -0.24 1.14 -0.54 0.23 0.00 0.00 176.35 176.94 1s3j s LYS 53 N -1.05 2.55 0.25 1.70 1.02 -1.26 -0.68 119.74 122.27 1s3j s LYS 53 Ca -0.12 1.50 -0.06 0.00 0.02 0.00 0.00 55.97 57.31 1s3j s LYS 53 Cb -0.07 -1.91 0.27 0.00 -0.52 0.00 0.00 37.83 35.60 1s3j s LYS 53 CO -0.00 -1.46 1.92 0.28 -0.92 0.00 0.00 175.35 175.17 1s3j h VAL 54 N -0.14 1.24 0.00 3.17 2.07 -1.75 -2.38 116.25 118.47 1s3j h VAL 54 Ca -0.47 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1s3j h VAL 54 Cb 1.26 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1s3j h VAL 54 CO 0.52 0.25 -0.17 0.77 0.02 0.00 0.00 177.57 178.96 1s3j h SER 55 N 1.34 0.00 -0.03 0.57 4.64 -1.92 -1.60 113.55 116.56 1s3j h SER 55 Ca 0.37 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 1s3j h SER 55 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1s3j h SER 55 CO -0.09 0.17 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.51 1s3j h GLU 56 N 0.00 0.19 -0.54 4.77 5.08 -1.80 -2.42 114.58 119.86 1s3j h GLU 56 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1s3j h GLU 56 Cb 0.44 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1s3j h GLU 56 CO 0.02 0.84 0.35 0.82 -1.00 0.00 0.00 179.01 180.04 1s3j h ILE 57 N -0.41 1.15 -0.67 3.13 2.04 -1.34 -1.65 117.51 119.75 1s3j h ILE 57 Ca -0.02 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.64 1s3j h ILE 57 Cb 0.89 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1s3j h ILE 57 CO 0.04 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.67 1s3j h ALA 58 N 1.18 0.91 0.20 1.87 0.00 -1.34 -2.68 119.26 119.40 1s3j h ALA 58 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s3j h ALA 58 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s3j h ALA 58 CO -0.04 -0.04 -0.10 1.49 0.00 0.00 0.00 179.25 180.57 1s3j h GLU 59 N 0.60 -0.26 -1.29 0.00 4.81 -0.97 0.84 114.58 118.31 1s3j h GLU 59 Ca 0.32 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1s3j h GLU 59 Cb 0.30 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1s3j h GLU 59 CO -0.24 -0.15 0.00 0.54 -0.73 0.00 0.00 179.01 178.44 1s3j n ARG 60 N -5.19 0.13 -2.66 1.92 1.74 -0.66 -4.72 116.66 107.22 1s3j n ARG 60 Ca -0.09 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 1s3j n ARG 60 Cb 0.14 -1.31 0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1s3j n ARG 60 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s3j n GLU 62 N 0.77 0.16 -4.28 5.56 1.02 0.22 -5.11 120.64 118.97 1s3j n GLU 62 Ca 0.00 -0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 56.30 1s3j n GLU 62 Cb 0.05 -0.07 -0.10 0.00 -0.02 0.00 0.00 31.44 31.31 1s3j n GLU 62 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1s3j s VAL 63 N 0.03 0.38 0.42 2.62 -7.23 -0.74 -5.15 120.40 110.73 1s3j s VAL 63 Ca 0.10 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 1s3j s VAL 63 Cb 0.16 -2.59 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 1s3j s VAL 63 CO -0.10 0.00 1.09 -0.54 -0.31 0.00 0.00 175.10 175.24 1s3j s LYS 64 N -4.06 4.03 0.32 4.82 -0.14 -1.26 -4.49 119.74 118.96 1s3j s LYS 64 Ca 0.38 1.60 0.07 0.00 -1.36 0.00 0.00 55.97 56.66 1s3j s LYS 64 Cb 0.07 -2.50 0.89 0.00 -1.68 0.00 0.00 37.83 34.61 1s3j s LYS 64 CO 0.13 -0.28 1.61 -1.35 -0.76 0.00 0.00 175.35 174.71 1s3j h PRO 65 N 2.35 0.12 -0.62 -1.68 0.11 -1.92 0.37 132.00 130.73 1s3j h PRO 65 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1s3j h PRO 65 Cb 1.23 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1s3j h PRO 65 CO 0.62 0.08 0.41 0.66 -0.21 0.00 0.00 178.00 179.56 1s3j h SER 66 N 0.13 0.68 -0.66 -2.05 4.64 -1.97 -1.03 113.55 113.28 1s3j h SER 66 Ca 0.64 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.98 1s3j h SER 66 Cb 1.42 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1s3j h SER 66 CO -0.75 0.48 0.41 0.00 -0.87 0.00 0.00 176.83 176.10 1s3j h ALA 67 N 1.63 0.86 -0.44 5.18 0.00 -1.28 -2.51 119.26 122.70 1s3j h ALA 67 Ca 0.24 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1s3j h ALA 67 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1s3j h ALA 67 CO -0.06 0.16 -0.20 0.28 0.00 0.00 0.00 179.25 179.43 1s3j h VAL 68 N 0.79 1.27 -0.66 0.00 2.07 -1.05 -2.98 116.25 115.69 1s3j h VAL 68 Ca 0.27 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1s3j h VAL 68 Cb 0.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1s3j h VAL 68 CO -0.11 0.46 0.43 0.74 0.02 0.00 0.00 177.57 179.11 1s3j h THR 69 N 0.77 1.17 0.00 2.57 2.02 -1.07 0.25 112.91 118.62 1s3j h THR 69 Ca 0.11 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1s3j h THR 69 Cb 0.74 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1s3j h THR 69 CO 0.06 0.17 0.00 -0.11 0.37 0.00 0.00 175.52 176.01 1s3j n LEU 70 N -4.43 1.69 0.00 2.58 7.94 -0.96 -1.26 117.00 122.56 1s3j n LEU 70 Ca 0.07 -0.85 0.00 0.00 -1.11 0.00 0.00 56.01 54.12 1s3j n LEU 70 Cb 0.04 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1s3j n LEU 70 CO 0.36 0.28 0.00 0.00 -1.11 0.00 0.00 177.39 176.92 1s3j n ALA 72 N 0.70 0.00 -0.08 1.96 0.00 0.88 -2.23 120.51 121.73 1s3j n ALA 72 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1s3j n ALA 72 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1s3j n ALA 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s3j h ASP 73 N 0.00 0.09 -0.06 0.00 3.32 -1.42 0.26 116.42 118.60 1s3j h ASP 73 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1s3j h ASP 73 Cb 0.00 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1s3j h ASP 73 CO 0.00 0.09 0.03 0.03 -1.72 0.00 0.00 179.24 177.67 1s3j h ARG 74 N 0.22 0.10 -0.53 3.56 3.08 -1.73 -0.49 114.38 118.59 1s3j h ARG 74 Ca 0.14 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1s3j h ARG 74 Cb 0.11 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1s3j h ARG 74 CO -0.15 0.20 0.31 -0.07 -1.07 0.00 0.00 179.97 179.20 1s3j h LEU 75 N -0.03 0.64 -0.81 3.04 3.38 -1.79 -2.62 115.31 117.11 1s3j h LEU 75 Ca 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1s3j h LEU 75 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1s3j h LEU 75 CO -0.00 0.52 0.05 -0.08 0.09 0.00 0.00 178.44 179.01 1s3j h GLU 76 N 0.71 0.95 -0.09 1.13 4.81 -0.26 -0.44 114.58 121.39 1s3j h GLU 76 Ca 0.19 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1s3j h GLU 76 Cb -0.00 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1s3j h GLU 76 CO -0.03 0.91 0.02 0.37 -0.73 0.00 0.00 179.01 179.54 1s3j h GLN 77 N 0.88 0.12 -0.02 1.92 -0.00 -0.93 0.10 115.11 117.19 1s3j h GLN 77 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1s3j h GLN 77 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1s3j h GLN 77 CO 0.02 0.12 -0.03 1.63 0.00 0.00 0.00 178.83 180.56 1s3j n LYS 78 N -4.48 1.76 -3.27 1.69 5.02 -0.83 -4.96 118.16 113.08 1s3j n LYS 78 Ca -0.02 -1.18 -0.17 0.00 -2.02 0.00 0.00 58.31 54.93 1s3j n LYS 78 Cb 0.11 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1s3j n LYS 78 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s3j n ASN 79 N 0.41 -5.07 -0.01 4.39 5.15 0.35 -4.92 115.26 115.56 1s3j n ASN 79 Ca 0.17 -0.38 0.08 0.00 -0.60 0.00 0.00 54.58 53.85 1s3j n ASN 79 Cb 0.42 -3.71 -0.13 0.00 -0.53 0.00 0.00 39.78 35.83 1s3j n ASN 79 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1s3j n LEU 80 N -3.69 0.00 -4.25 1.20 4.77 -0.56 -4.28 117.00 110.19 1s3j n LEU 80 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1s3j n LEU 80 Cb 0.54 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1s3j n LEU 80 CO 0.46 0.01 -0.33 0.27 -1.33 0.00 0.00 177.39 176.47 1s3j s ILE 81 N -3.15 0.72 0.05 -0.08 -4.36 -1.25 -2.08 121.20 111.05 1s3j s ILE 81 Ca -0.06 -1.99 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 1s3j s ILE 81 Cb 0.11 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1s3j s ILE 81 CO 0.69 -0.44 -0.18 0.00 0.24 0.00 0.00 174.94 175.25 1s3j s ALA 82 N -3.63 1.53 -0.10 2.27 0.00 -0.62 -4.42 121.76 116.79 1s3j s ALA 82 Ca 0.25 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 1s3j s ALA 82 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1s3j s ALA 82 CO 0.05 0.32 0.12 1.03 0.00 0.00 0.00 175.76 177.28 1s3j s ARG 83 N -1.28 3.36 0.06 0.00 0.52 -1.26 -2.14 118.95 118.22 1s3j s ARG 83 Ca 0.05 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1s3j s ARG 83 Cb -0.09 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1s3j s ARG 83 CO 0.02 0.75 -0.04 0.95 0.02 0.00 0.00 175.30 177.00 1s3j s THR 84 N -1.04 0.32 0.34 0.02 -4.23 -0.55 -4.99 115.64 105.50 1s3j s THR 84 Ca 0.16 -1.77 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1s3j s THR 84 Cb -0.12 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.17 1s3j s THR 84 CO 0.06 -0.93 1.04 -1.00 -0.54 0.00 0.00 174.62 173.24 1s3j s HIS 85 N -3.66 3.49 0.32 3.99 0.09 -1.26 -0.50 115.29 117.76 1s3j s HIS 85 Ca 0.06 1.71 -0.28 0.00 -0.00 0.00 0.00 55.06 56.55 1s3j s HIS 85 Cb 0.06 -3.12 -0.09 0.00 -0.00 0.00 0.00 32.58 29.42 1s3j s HIS 85 CO -0.08 -0.37 1.14 1.21 -0.00 0.00 0.00 174.74 176.64 1s3j s ASN 86 N -1.36 7.00 0.22 1.40 3.84 -0.21 -4.75 114.94 121.09 1s3j s ASN 86 Ca 0.51 2.33 0.10 0.00 0.21 0.00 0.00 52.86 56.02 1s3j s ASN 86 Cb -0.24 -2.62 0.13 0.00 -0.55 0.00 0.00 41.25 37.96 1s3j s ASN 86 CO 0.31 -0.34 1.47 0.71 -2.79 0.00 0.00 177.10 176.46 1s3j h THR 87 N 2.86 1.43 -0.15 -5.21 1.35 -1.95 -3.17 112.91 108.07 1s3j h THR 87 Ca -0.48 -2.60 -0.23 0.00 -0.55 0.00 0.00 66.41 62.56 1s3j h THR 87 Cb 1.22 2.44 0.01 0.00 -1.73 0.00 0.00 68.15 70.09 1s3j h THR 87 CO 0.65 0.72 -0.79 0.11 -0.25 0.00 0.00 175.52 175.96 1s3j h LYS 88 N 0.00 0.79 -2.88 4.72 6.56 -1.98 -3.44 116.57 120.34 1s3j h LYS 88 Ca -0.01 -0.65 -0.43 0.00 -1.06 0.00 0.00 60.65 58.50 1s3j h LYS 88 Cb 1.38 0.14 -0.40 0.00 -0.57 0.00 0.00 32.23 32.78 1s3j h LYS 88 CO 0.10 1.26 -0.72 0.34 -2.06 0.00 0.00 179.45 178.36 1s3j s ASP 89 N -7.12 2.19 0.60 0.86 -1.08 -1.20 -5.03 116.67 105.90 1s3j s ASP 89 Ca -0.10 -0.57 0.36 0.00 -0.52 0.00 0.00 52.55 51.72 1s3j s ASP 89 Cb 0.09 -0.08 1.94 0.00 -1.46 0.00 0.00 42.92 43.41 1s3j s ASP 89 CO 0.91 -0.35 2.23 0.08 0.52 0.00 0.00 175.17 178.55 1s3j h ARG 90 N 8.39 0.00 0.00 4.34 0.11 -1.84 -2.00 114.38 123.38 1s3j h ARG 90 Ca -0.16 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.85 1s3j h ARG 90 Cb 1.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 1s3j h ARG 90 CO 0.30 0.03 -0.34 0.00 0.10 0.00 0.00 179.97 180.05 1s3j h ARG 91 N 0.00 0.00 -6.25 0.08 3.08 -1.96 -3.40 114.38 105.94 1s3j h ARG 91 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1s3j h ARG 91 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1s3j h ARG 91 CO 0.00 0.34 -0.13 0.14 -1.07 0.00 0.00 179.97 179.26 1s3j s VAL 92 N -3.38 4.92 -0.23 2.04 -7.23 -0.75 -4.98 120.40 110.79 1s3j s VAL 92 Ca 0.02 0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 60.83 1s3j s VAL 92 Cb 0.09 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.27 1s3j s VAL 92 CO 0.69 0.28 0.15 -0.63 -0.31 0.00 0.00 175.10 175.28 1s3j s ILE 93 N -1.41 5.37 0.01 -0.62 -1.09 -1.26 -1.04 121.20 121.15 1s3j s ILE 93 Ca 0.35 0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.83 1s3j s ILE 93 Cb -0.15 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1s3j s ILE 93 CO 0.19 0.37 0.37 -1.81 -1.23 0.00 0.00 174.94 172.82 1s3j s ASP 94 N 0.89 6.71 0.09 3.58 1.01 0.34 -1.88 116.67 127.42 1s3j s ASP 94 Ca 0.08 0.85 0.02 0.00 0.71 0.00 0.00 52.55 54.20 1s3j s ASP 94 Cb -0.13 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1s3j s ASP 94 CO 0.03 0.29 0.18 -0.76 0.21 0.00 0.00 175.17 175.12 1s3j s LEU 95 N -1.31 4.15 0.16 1.23 1.43 0.14 -1.48 118.68 123.01 1s3j s LEU 95 Ca 0.25 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 1s3j s LEU 95 Cb -0.15 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.32 1s3j s LEU 95 CO 0.14 0.14 0.42 -0.94 0.23 0.00 0.00 176.35 176.33 1s3j s SER 96 N -2.67 -0.16 0.30 2.29 1.04 -0.91 -2.56 113.70 111.04 1s3j s SER 96 Ca 0.33 -0.54 -0.28 0.00 0.48 0.00 0.00 55.95 55.94 1s3j s SER 96 Cb -0.12 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1s3j s SER 96 CO 0.26 -0.94 1.03 -0.76 0.98 0.00 0.00 173.24 173.81 1s3j s LEU 97 N -2.88 4.46 0.84 2.42 1.43 -1.26 -1.59 118.68 122.10 1s3j s LEU 97 Ca 0.09 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 1s3j s LEU 97 Cb 0.01 -3.79 0.13 0.00 0.03 0.00 0.00 46.19 42.57 1s3j s LEU 97 CO -0.05 -0.14 1.19 0.42 0.23 0.00 0.00 176.35 178.00 1s3j s THR 98 N -1.33 2.06 0.19 5.49 -4.23 -0.88 -4.77 115.64 112.17 1s3j s THR 98 Ca 0.47 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.76 1s3j s THR 98 Cb -0.27 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.72 1s3j s THR 98 CO 0.34 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.67 1s3j h ASP 99 N -1.16 0.53 0.49 3.99 3.32 -1.89 -1.74 116.42 119.96 1s3j h ASP 99 Ca -0.44 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1s3j h ASP 99 Cb 1.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1s3j h ASP 99 CO 0.51 0.36 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.59 1s3j h GLU 100 N 0.66 0.00 -0.02 3.56 3.07 -1.89 -2.31 114.58 117.65 1s3j h GLU 100 Ca 0.25 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.86 1s3j h GLU 100 Cb 0.09 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1s3j h GLU 100 CO -0.13 0.47 -0.97 0.78 -1.40 0.00 0.00 179.01 177.76 1s3j h GLY 101 N 1.44 0.67 0.84 -3.84 0.00 -1.58 -1.54 103.07 99.06 1s3j h GLY 101 Ca -0.00 -1.14 0.03 0.00 0.00 0.00 0.00 47.33 46.21 1s3j h GLY 101 CO 0.06 1.01 0.20 -1.80 0.00 0.00 0.00 176.54 176.02 1s3j h ASP 102 N 0.35 0.31 -0.60 0.19 3.58 -1.13 0.50 116.42 119.63 1s3j h ASP 102 Ca -0.10 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1s3j h ASP 102 Cb 1.61 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 1s3j h ASP 102 CO 0.18 0.22 0.21 0.40 -2.88 0.00 0.00 179.24 177.38 1s3j h ILE 103 N 0.41 1.23 -0.16 2.25 2.04 -1.39 -2.03 117.51 119.87 1s3j h ILE 103 Ca 0.16 -0.79 -0.20 0.00 1.00 0.00 0.00 64.86 65.04 1s3j h ILE 103 Cb 0.05 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1s3j h ILE 103 CO -0.10 0.31 -0.69 0.50 0.00 0.00 0.00 178.15 178.16 1s3j h LYS 104 N 0.92 0.68 -0.03 2.37 1.63 -0.87 -1.73 116.57 119.55 1s3j h LYS 104 Ca 0.21 -0.51 -0.05 0.00 -0.85 0.00 0.00 60.65 59.45 1s3j h LYS 104 Cb 0.24 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1s3j h LYS 104 CO -0.01 1.13 -0.21 0.35 -3.45 0.00 0.00 179.45 177.26 1s3j h PHE 105 N 0.48 0.04 0.18 1.91 3.57 -0.71 -1.96 116.94 120.46 1s3j h PHE 105 Ca -0.03 -0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.16 1s3j h PHE 105 Cb 1.29 -0.01 0.03 0.00 2.79 0.00 0.00 35.95 40.05 1s3j h PHE 105 CO 0.07 0.25 -1.34 1.49 -2.23 0.00 0.00 178.31 176.55 1s3j h GLU 106 N 0.04 0.48 -0.58 1.11 4.57 -1.11 -2.10 114.58 116.99 1s3j h GLU 106 Ca 0.01 -0.76 -0.07 0.00 -1.18 0.00 0.00 59.36 57.36 1s3j h GLU 106 Cb 0.40 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1s3j h GLU 106 CO 0.03 1.35 0.10 0.93 -1.18 0.00 0.00 179.01 180.24 1s3j h GLU 107 N 0.16 0.96 -0.32 1.92 5.08 -1.19 -0.77 114.58 120.42 1s3j h GLU 107 Ca -0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1s3j h GLU 107 Cb 2.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1s3j h GLU 107 CO 0.24 0.91 -0.01 0.28 -1.00 0.00 0.00 179.01 179.44 1s3j h VAL 108 N 0.86 1.26 -0.46 3.13 2.07 -1.40 -2.19 116.25 119.52 1s3j h VAL 108 Ca 0.18 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1s3j h VAL 108 Cb 0.41 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1s3j h VAL 108 CO 0.01 0.32 -0.04 0.25 0.02 0.00 0.00 177.57 178.13 1s3j h LEU 109 N 0.37 0.84 -0.73 2.57 5.85 -1.25 -1.46 115.31 121.50 1s3j h LEU 109 Ca 0.09 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1s3j h LEU 109 Cb 0.45 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1s3j h LEU 109 CO 0.02 0.97 0.34 0.00 -0.34 0.00 0.00 178.44 179.42 1s3j h ALA 110 N 0.90 0.95 -0.51 1.25 0.00 -1.16 0.14 119.26 120.83 1s3j h ALA 110 Ca 0.13 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1s3j h ALA 110 Cb 0.56 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1s3j h ALA 110 CO 0.03 0.52 0.16 0.78 0.00 0.00 0.00 179.25 180.75 1s3j h GLY 111 N 1.03 0.66 1.25 0.00 0.00 -1.13 -0.64 103.07 104.25 1s3j h GLY 111 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1s3j h GLY 111 CO -0.03 -0.01 0.06 3.21 0.00 0.00 0.00 176.54 179.77 1s3j h ARG 112 N 0.33 0.92 -0.19 4.80 3.08 -0.57 -2.63 114.38 120.12 1s3j h ARG 112 Ca 0.25 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1s3j h ARG 112 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1s3j h ARG 112 CO -0.27 0.87 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.22 1s3j h LYS 113 N 0.86 0.39 -0.75 0.04 3.64 -0.35 -3.10 116.57 117.31 1s3j h LYS 113 Ca 0.17 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1s3j h LYS 113 Cb 0.43 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1s3j h LYS 113 CO 0.01 0.66 0.44 0.00 -2.27 0.00 0.00 179.45 178.29 1s3j h ALA 114 N 0.72 1.36 0.00 5.00 0.00 -1.08 0.20 119.26 125.45 1s3j h ALA 114 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s3j h ALA 114 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s3j h ALA 114 CO 0.02 0.54 0.00 -0.89 0.00 0.00 0.00 179.25 178.92 1s3j n ILE 115 N -4.38 0.00 0.00 0.00 5.41 -1.00 -2.84 119.36 116.56 1s3j n ILE 115 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1s3j n ILE 115 Cb 0.08 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1s3j n ILE 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s3j n ALA 117 N 0.38 0.00 -0.02 -1.39 0.00 0.06 -3.63 120.51 115.91 1s3j n ALA 117 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1s3j n ALA 117 Cb 0.04 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.60 1s3j n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s3j h ARG 118 N 0.00 0.60 0.01 0.00 3.08 -1.78 -2.16 114.38 114.13 1s3j h ARG 118 Ca 0.00 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 1s3j h ARG 118 Cb 0.00 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1s3j h ARG 118 CO 0.00 0.88 -0.26 1.88 -1.07 0.00 0.00 179.97 181.40 1s3j h TYR 119 N 0.50 0.25 0.00 3.04 0.05 -1.88 -3.35 116.97 115.58 1s3j h TYR 119 Ca 0.05 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1s3j h TYR 119 Cb 0.86 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.57 1s3j h TYR 119 CO 0.04 0.96 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.91 1s3j h LEU 120 N -0.54 0.00 -0.82 3.88 3.38 -1.88 -2.69 115.31 116.64 1s3j h LEU 120 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s3j h LEU 120 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1s3j h LEU 120 CO 0.05 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 1s3j n SER 121 N -3.68 0.65 0.02 -0.43 3.41 -0.81 -1.31 113.62 111.46 1s3j n SER 121 Ca -0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1s3j n SER 121 Cb 0.24 -0.81 0.50 0.00 -0.26 0.00 0.00 64.21 63.88 1s3j n SER 121 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s3j n PHE 122 N -2.24 0.15 -2.61 7.33 3.72 -1.01 -4.82 117.46 117.97 1s3j n PHE 122 Ca 0.01 0.05 -0.38 0.00 -0.05 0.00 0.00 57.45 57.08 1s3j n PHE 122 Cb 0.20 -0.58 -0.05 0.00 -0.94 0.00 0.00 39.48 38.11 1s3j n PHE 122 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1s3j s LEU 123 N -3.26 4.40 0.99 4.37 1.43 -0.43 -5.07 118.68 121.11 1s3j s LEU 123 Ca 0.11 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 1s3j s LEU 123 Cb 0.15 -3.88 0.18 0.00 0.03 0.00 0.00 46.19 42.67 1s3j s LEU 123 CO 0.45 -0.18 1.09 0.42 0.23 0.00 0.00 176.35 178.36 1s3j s THR 124 N -1.41 2.20 0.23 5.49 -4.23 -1.26 -4.92 115.64 111.73 1s3j s THR 124 Ca 0.49 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1s3j s THR 124 Cb -0.25 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1s3j s THR 124 CO 0.32 -0.08 1.90 -0.33 -0.54 0.00 0.00 174.62 175.88 1s3j h GLU 125 N -1.88 1.18 -0.66 3.99 3.07 -1.98 -2.30 114.58 116.00 1s3j h GLU 125 Ca -0.54 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 58.27 1s3j h GLU 125 Cb 1.32 -0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1s3j h GLU 125 CO 0.56 0.79 0.41 0.93 -1.40 0.00 0.00 179.01 180.30 1s3j h GLU 126 N 1.21 0.77 -1.54 2.33 5.08 -2.05 -2.15 114.58 118.23 1s3j h GLU 126 Ca 0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1s3j h GLU 126 Cb -0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1s3j h GLU 126 CO -0.07 0.51 0.00 0.39 -1.00 0.00 0.00 179.01 178.84 1s3j n GLU 127 N -4.70 0.68 0.00 2.33 1.02 -0.87 -1.81 120.64 117.29 1s3j n GLU 127 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1s3j n GLU 127 Cb 0.09 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1s3j n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s3j n LEU 129 N 0.98 0.00 -0.18 -4.62 4.77 -0.81 -0.67 117.00 116.47 1s3j n LEU 129 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1s3j n LEU 129 Cb 0.34 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1s3j n LEU 129 CO 0.00 0.00 1.02 1.56 -1.33 0.00 0.00 177.39 178.64 1s3j h GLN 130 N 0.00 0.49 -0.34 3.23 4.20 -1.63 -2.08 115.11 118.99 1s3j h GLN 130 Ca 0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1s3j h GLN 130 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1s3j h GLN 130 CO 0.00 0.33 -0.25 0.00 -0.67 0.00 0.00 178.83 178.24 1s3j h ALA 131 N 1.31 0.92 -0.15 3.87 0.00 -1.17 -0.82 119.26 123.22 1s3j h ALA 131 Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1s3j h ALA 131 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s3j h ALA 131 CO -0.19 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1s3j h ALA 132 N 1.13 0.13 -0.17 0.00 0.00 -1.76 -1.84 119.26 116.75 1s3j h ALA 132 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s3j h ALA 132 Cb 0.74 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1s3j h ALA 132 CO 0.06 -0.45 0.00 1.25 0.00 0.00 0.00 179.25 180.11 1s3j h HIS 133 N 0.05 0.33 -0.40 0.00 6.17 -1.08 -2.09 115.15 118.13 1s3j h HIS 133 Ca 0.07 -0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.05 1s3j h HIS 133 Cb 0.08 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 1s3j h HIS 133 CO -0.15 0.51 0.10 0.82 0.71 0.00 0.00 177.93 179.92 1s3j h ILE 134 N 0.05 1.23 -0.40 6.26 2.04 -1.16 -1.17 117.51 124.36 1s3j h ILE 134 Ca 0.05 -0.78 -0.15 0.00 1.00 0.00 0.00 64.86 64.98 1s3j h ILE 134 Cb 0.38 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1s3j h ILE 134 CO 0.01 0.27 -0.34 0.71 0.00 0.00 0.00 178.15 178.80 1s3j h THR 135 N 0.50 1.27 -0.37 -0.27 1.35 -1.36 -0.25 112.91 113.79 1s3j h THR 135 Ca 0.13 -1.51 -0.02 0.00 -0.55 0.00 0.00 66.41 64.46 1s3j h THR 135 Cb 0.31 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1s3j h THR 135 CO 0.00 0.51 0.16 0.00 -0.25 0.00 0.00 175.52 175.94 1s3j h ALA 136 N 0.85 0.48 -0.57 6.62 0.00 -1.38 0.33 119.26 125.59 1s3j h ALA 136 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s3j h ALA 136 Cb 0.92 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1s3j h ALA 136 CO 0.09 0.06 0.19 -0.22 0.00 0.00 0.00 179.25 179.36 1s3j h LYS 137 N 0.45 0.87 -0.70 0.00 3.64 -1.11 -0.53 116.57 119.19 1s3j h LYS 137 Ca 0.12 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1s3j h LYS 137 Cb 0.15 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1s3j h LYS 137 CO -0.01 0.78 0.21 -0.07 -2.27 0.00 0.00 179.45 178.09 1s3j h LEU 138 N 0.79 1.02 -0.50 5.20 3.38 -0.91 -1.70 115.31 122.59 1s3j h LEU 138 Ca 0.18 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1s3j h LEU 138 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1s3j h LEU 138 CO -0.01 0.96 -0.33 0.00 0.09 0.00 0.00 178.44 179.15 1s3j h ALA 139 N 1.10 0.69 0.19 1.53 0.00 -0.65 -1.77 119.26 120.34 1s3j h ALA 139 Ca 0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1s3j h ALA 139 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1s3j h ALA 139 CO -0.01 0.67 -0.09 0.37 0.00 0.00 0.00 179.25 180.19 1s3j h GLN 140 N 0.72 -0.24 -0.36 0.00 4.15 -1.04 -1.65 115.11 116.70 1s3j h GLN 140 Ca 0.07 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1s3j h GLN 140 Cb 0.90 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1s3j h GLN 140 CO 0.08 -0.08 0.15 0.00 -1.93 0.00 0.00 178.83 177.05 1s3j h ALA 141 N 0.45 1.60 -0.12 3.38 0.00 -1.24 -2.60 119.26 120.73 1s3j h ALA 141 Ca -0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1s3j h ALA 141 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s3j h ALA 141 CO 0.04 0.32 -0.72 0.00 0.00 0.00 0.00 179.25 178.90 1s3j h ALA 142 N 1.67 0.52 0.00 0.00 0.00 -1.25 -3.03 119.26 117.17 1s3j h ALA 142 Ca 0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1s3j h ALA 142 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s3j h ALA 142 CO -0.01 0.73 -0.12 0.93 0.00 0.00 0.00 179.25 180.78 1s3j h GLU 143 N 0.38 0.00 -4.60 0.00 4.39 -0.91 -3.38 114.58 110.46 1s3j h GLU 143 Ca -0.03 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.95 1s3j h GLU 143 Cb 1.30 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.75 1s3j h GLU 143 CO 0.13 0.12 0.27 0.95 -1.16 0.00 0.00 179.01 179.32 1s3j s THR 144 N -4.30 4.95 0.00 1.13 -4.23 -1.11 -5.12 115.64 106.96 1s3j s THR 144 Ca -0.03 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1s3j s THR 144 Cb 0.14 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1s3j s THR 144 CO 0.60 -1.19 0.02 -0.90 -0.54 0.00 0.00 174.62 172.61