#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3j s SER 3 N 0.00 2.44 0.29 4.39 1.04 -1.26 -4.77 113.70 115.83 1s3j s SER 3 Ca 0.00 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.78 1s3j s SER 3 Cb 0.00 -2.05 0.43 0.00 0.10 0.00 0.00 66.02 64.50 1s3j s SER 3 CO 0.00 -3.27 1.88 0.00 0.98 0.00 0.00 173.24 172.83 1s3j h ALA 4 N -1.99 1.29 0.07 5.32 0.00 -2.09 -1.27 119.26 120.60 1s3j h ALA 4 Ca -0.55 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 53.96 1s3j h ALA 4 Cb 1.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1s3j h ALA 4 CO 0.55 0.53 -1.10 0.22 0.00 0.00 0.00 179.25 179.45 1s3j h ASP 5 N 0.88 0.42 -0.62 0.00 1.82 -2.05 -3.11 116.42 113.75 1s3j h ASP 5 Ca 0.21 -0.40 -0.04 0.00 -0.39 0.00 0.00 57.03 56.41 1s3j h ASP 5 Cb 0.16 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 1s3j h ASP 5 CO -0.02 1.26 0.22 -0.61 -1.61 0.00 0.00 179.24 178.48 1s3j h GLN 6 N 0.12 0.95 -0.42 0.28 5.75 -1.89 -1.28 115.11 118.61 1s3j h GLN 6 Ca -0.10 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1s3j h GLN 6 Cb 1.79 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.20 1s3j h GLN 6 CO 0.18 0.83 0.00 1.28 -2.65 0.00 0.00 178.83 178.47 1s3j n LEU 7 N -4.40 0.00 0.00 -2.39 4.77 -0.49 -0.24 117.00 114.25 1s3j n LEU 7 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1s3j n LEU 7 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1s3j n LEU 7 CO 0.40 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.22 1s3j n SER 9 N 0.55 0.00 -0.18 -1.43 2.88 -0.49 -0.68 113.62 114.27 1s3j n SER 9 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1s3j n SER 9 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1s3j n SER 9 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1s3j h ASP 10 N 0.00 1.01 -0.41 -3.46 3.32 -0.90 -2.52 116.42 113.45 1s3j h ASP 10 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1s3j h ASP 10 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1s3j h ASP 10 CO 0.00 1.10 0.25 0.40 -1.72 0.00 0.00 179.24 179.27 1s3j h ILE 11 N 0.91 1.13 -0.70 0.35 2.04 -1.15 -0.95 117.51 119.14 1s3j h ILE 11 Ca 0.15 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1s3j h ILE 11 Cb 0.63 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1s3j h ILE 11 CO 0.04 0.13 0.43 -0.61 0.00 0.00 0.00 178.15 178.14 1s3j h GLN 12 N 0.54 0.82 -0.06 2.37 5.75 -1.78 0.50 115.11 123.26 1s3j h GLN 12 Ca 0.15 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.43 1s3j h GLN 12 Cb -0.02 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 1s3j h GLN 12 CO -0.03 0.54 -0.70 -0.07 -2.65 0.00 0.00 178.83 175.93 1s3j h LEU 13 N 0.84 0.33 -0.43 -2.39 3.38 -1.12 0.19 115.31 116.12 1s3j h LEU 13 Ca 0.28 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1s3j h LEU 13 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1s3j h LEU 13 CO -0.12 0.93 -0.06 0.28 0.09 0.00 0.00 178.44 179.56 1s3j h SER 14 N 0.20 0.80 -0.66 -0.43 0.02 -0.76 -1.97 113.55 110.75 1s3j h SER 14 Ca -0.02 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 1s3j h SER 14 Cb 1.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1s3j h SER 14 CO 0.11 0.95 0.11 -0.07 -1.14 0.00 0.00 176.83 176.80 1s3j h LEU 15 N 0.64 1.04 -0.48 5.07 3.38 -0.64 -0.68 115.31 123.65 1s3j h LEU 15 Ca 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1s3j h LEU 15 Cb 0.58 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1s3j h LEU 15 CO 0.03 1.03 0.18 -0.61 0.09 0.00 0.00 178.44 179.16 1s3j h GLN 16 N 1.02 0.72 -0.12 1.13 5.75 -0.93 0.70 115.11 123.39 1s3j h GLN 16 Ca 0.20 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 1s3j h GLN 16 Cb 0.43 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1s3j h GLN 16 CO 0.01 0.66 -0.39 0.00 -2.65 0.00 0.00 178.83 176.46 1s3j h ALA 17 N 1.03 1.13 0.20 3.38 0.00 -1.09 -2.30 119.26 121.61 1s3j h ALA 17 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1s3j h ALA 17 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s3j h ALA 17 CO -0.01 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.65 1s3j h LEU 18 N 0.21 -0.23 -1.33 0.00 3.38 -0.75 -3.19 115.31 113.40 1s3j h LEU 18 Ca 0.02 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 57.85 1s3j h LEU 18 Cb 0.78 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1s3j h LEU 18 CO 0.06 0.25 0.58 0.15 0.09 0.00 0.00 178.44 179.56 1s3j h PHE 19 N -0.78 0.75 0.00 1.13 3.57 -0.87 -0.56 116.94 120.19 1s3j h PHE 19 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s3j h PHE 19 Cb 0.51 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1s3j h PHE 19 CO 0.06 0.25 0.00 -0.56 -2.23 0.00 0.00 178.31 175.84 1s3j h GLN 20 N 0.62 0.00 0.14 1.11 3.07 -1.45 -0.03 115.11 118.57 1s3j h GLN 20 Ca 0.46 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.84 1s3j h GLN 20 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.39 1s3j h GLN 20 CO -0.21 0.00 -1.86 0.87 0.09 0.00 0.00 178.83 177.72 1s3j h LYS 21 N 0.00 0.30 -0.03 0.06 1.57 -1.37 -3.39 116.57 113.72 1s3j h LYS 21 Ca 0.00 -0.51 -0.17 0.00 -1.87 0.00 0.00 60.65 58.09 1s3j h LYS 21 Cb 0.72 0.19 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1s3j h LYS 21 CO 0.00 1.24 -0.67 0.82 -0.57 0.00 0.00 179.45 180.28 1s3j h ILE 22 N 0.03 1.38 0.09 1.86 2.04 -1.02 -2.99 117.51 118.90 1s3j h ILE 22 Ca -0.39 -2.06 0.02 0.00 1.00 0.00 0.00 64.86 63.44 1s3j h ILE 22 Cb 2.02 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 40.51 1s3j h ILE 22 CO 0.11 0.61 -0.44 -0.61 0.00 0.00 0.00 178.15 177.82 1s3j h GLN 23 N 0.05 -0.63 -0.56 2.37 4.15 -1.24 -2.62 115.11 116.63 1s3j h GLN 23 Ca -0.08 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1s3j h GLN 23 Cb 1.35 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.16 1s3j h GLN 23 CO 0.13 -0.42 0.35 -1.00 -1.93 0.00 0.00 178.83 175.97 1s3j h PRO 24 N -0.65 0.74 -1.09 -2.39 0.13 -1.76 -2.21 132.00 124.78 1s3j h PRO 24 Ca 0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1s3j h PRO 24 Cb 0.69 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1s3j h PRO 24 CO -0.27 0.51 0.00 -1.91 -0.23 0.00 0.00 178.00 176.10 1s3j n GLU 25 N -4.44 0.31 0.00 0.86 2.13 -0.99 -1.42 120.64 117.10 1s3j n GLU 25 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1s3j n GLU 25 Cb 0.06 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.51 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 0.63 0.00 0.03 4.31 7.99 -0.83 -1.90 117.00 127.23 1s3j n LEU 27 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 1s3j n LEU 27 Cb 0.12 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1s3j n LEU 27 CO 0.00 0.00 0.86 -0.08 -1.51 0.00 0.00 177.39 176.66 1s3j h GLU 28 N 0.00 -0.00 0.00 3.23 4.81 -1.50 0.09 114.58 121.21 1s3j h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s3j h GLU 28 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1s3j h GLU 28 CO 0.00 -0.00 0.00 0.45 -0.73 0.00 0.00 179.01 178.73 1s3j n SER 29 N -5.11 0.00 0.00 1.04 2.88 -0.80 -1.33 113.62 110.31 1s3j n SER 29 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1s3j n SER 29 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.30 0.00 -0.11 -1.46 1.02 0.02 -2.47 120.64 117.94 1s3j n GLU 31 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1s3j n GLU 31 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.81 0.00 3.49 3.64 -1.46 -2.51 116.57 120.53 1s3j h LYS 32 Ca 0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1s3j h LYS 32 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1s3j h LYS 32 CO 0.00 0.86 0.00 1.04 -2.27 0.00 0.00 179.45 179.08 1s3j n GLN 33 N -4.18 0.11 -2.10 1.90 1.13 -1.03 -4.91 117.38 108.30 1s3j n GLN 33 Ca 0.02 0.26 -0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1s3j n GLN 33 Cb 0.34 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 0.52 0.47 2.77 1.08 0.00 -0.95 -5.05 105.19 104.04 1s3j n GLY 34 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 1s3j n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3j s VAL 35 N -2.20 0.08 0.62 1.61 1.01 -1.26 -5.04 120.40 115.21 1s3j s VAL 35 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1s3j s VAL 35 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1s3j s VAL 35 CO 0.00 0.15 0.98 0.42 0.00 0.00 0.00 175.10 176.65 1s3j s THR 36 N 1.40 4.01 0.39 3.92 -4.23 -1.26 -4.17 115.64 115.70 1s3j s THR 36 Ca -0.05 0.38 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 1s3j s THR 36 Cb -0.13 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.39 1s3j s THR 36 CO -0.03 -0.72 2.01 -0.65 -0.54 0.00 0.00 174.62 174.69 1s3j h PRO 37 N -0.31 0.61 -0.31 3.99 0.11 -1.99 -1.29 132.00 132.81 1s3j h PRO 37 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1s3j h PRO 37 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1s3j h PRO 37 CO 0.62 0.41 -0.09 0.00 -0.21 0.00 0.00 178.00 178.73 1s3j h ALA 38 N 1.67 0.43 -0.61 -0.75 0.00 -2.01 -2.97 119.26 115.03 1s3j h ALA 38 Ca 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1s3j h ALA 38 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1s3j h ALA 38 CO -0.07 0.27 0.28 1.96 0.00 0.00 0.00 179.25 181.70 1s3j h GLN 39 N 0.38 0.87 -0.78 0.00 4.20 -1.83 -2.58 115.11 115.37 1s3j h GLN 39 Ca 0.08 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1s3j h GLN 39 Cb 0.59 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1s3j h GLN 39 CO 0.03 0.69 0.43 1.25 -0.67 0.00 0.00 178.83 180.56 1s3j h LEU 40 N 0.87 0.96 -1.07 1.46 5.85 -1.18 -1.47 115.31 120.72 1s3j h LEU 40 Ca 0.21 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1s3j h LEU 40 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1s3j h LEU 40 CO -0.03 0.76 -0.28 0.15 -0.34 0.00 0.00 178.44 178.71 1s3j h PHE 41 N 1.08 0.35 -0.18 1.25 3.57 -1.30 0.34 116.94 122.05 1s3j h PHE 41 Ca 0.28 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1s3j h PHE 41 Cb 0.01 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1s3j h PHE 41 CO 0.01 0.57 0.04 0.28 -2.23 0.00 0.00 178.31 176.97 1s3j h VAL 42 N 0.28 1.21 -0.44 1.41 2.07 -1.17 -1.54 116.25 118.07 1s3j h VAL 42 Ca 0.04 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1s3j h VAL 42 Cb 0.64 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1s3j h VAL 42 CO 0.05 0.21 0.23 -0.07 0.02 0.00 0.00 177.57 178.01 1s3j h LEU 43 N 0.10 0.56 -0.85 2.57 3.38 -0.81 -2.33 115.31 117.93 1s3j h LEU 43 Ca 0.06 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1s3j h LEU 43 Cb 0.29 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1s3j h LEU 43 CO 0.00 0.51 0.53 0.00 0.09 0.00 0.00 178.44 179.58 1s3j h ALA 44 N 1.07 1.14 -0.23 1.53 0.00 -0.26 -1.11 119.26 121.41 1s3j h ALA 44 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1s3j h ALA 44 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s3j h ALA 44 CO -0.02 0.31 -0.37 0.77 0.00 0.00 0.00 179.25 179.94 1s3j h SER 45 N 1.00 0.53 -0.04 0.00 0.02 -1.04 -2.25 113.55 111.76 1s3j h SER 45 Ca 0.36 -0.22 -0.21 0.00 -0.84 0.00 0.00 61.79 60.88 1s3j h SER 45 Cb 0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1s3j h SER 45 CO -0.15 0.85 -0.73 -0.07 -1.14 0.00 0.00 176.83 175.59 1s3j h LEU 46 N 0.42 0.81 -0.56 5.07 3.38 -1.07 -0.97 115.31 122.38 1s3j h LEU 46 Ca 0.04 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1s3j h LEU 46 Cb 0.84 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1s3j h LEU 46 CO 0.07 1.29 0.28 0.50 0.09 0.00 0.00 178.44 180.68 1s3j h LYS 47 N 0.48 0.52 -0.09 1.13 1.63 -1.08 0.35 116.57 119.50 1s3j h LYS 47 Ca -0.04 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 1s3j h LYS 47 Cb 1.34 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1s3j h LYS 47 CO 0.14 0.35 -0.57 -0.22 -3.45 0.00 0.00 179.45 175.70 1s3j h LYS 48 N 0.54 0.55 -0.02 1.90 3.64 -1.35 -3.37 116.57 118.46 1s3j h LYS 48 Ca 0.25 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1s3j h LYS 48 Cb 0.18 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1s3j h LYS 48 CO -0.18 1.09 -0.00 0.72 -2.27 0.00 0.00 179.45 178.81 1s3j n HIS 49 N -4.18 0.00 0.00 1.91 8.25 -0.38 -5.06 115.22 115.77 1s3j n HIS 49 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1s3j n HIS 49 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 0.88 2.30 2.93 -1.41 0.00 0.12 -4.79 105.19 105.23 1s3j n GLY 50 Ca 0.09 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1s3j n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3j s SER 51 N -2.28 0.69 0.03 1.61 0.01 -1.26 -4.07 113.70 108.43 1s3j s SER 51 Ca 0.00 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1s3j s SER 51 Cb 0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1s3j s SER 51 CO 0.00 0.02 -0.06 -0.76 0.41 0.00 0.00 173.24 172.85 1s3j s LEU 52 N 0.26 2.24 0.66 2.44 1.43 -0.52 -4.94 118.68 120.26 1s3j s LEU 52 Ca -0.03 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 1s3j s LEU 52 Cb -0.07 -0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1s3j s LEU 52 CO -0.00 -0.24 1.09 -0.54 0.23 0.00 0.00 176.35 176.89 1s3j s LYS 53 N -1.50 2.84 0.24 1.70 1.02 -1.26 0.09 119.74 122.87 1s3j s LYS 53 Ca -0.12 1.29 -0.04 0.00 0.02 0.00 0.00 55.97 57.11 1s3j s LYS 53 Cb -0.10 -1.96 0.39 0.00 -0.52 0.00 0.00 37.83 35.64 1s3j s LYS 53 CO -0.00 -1.21 1.82 0.28 -0.92 0.00 0.00 175.35 175.32 1s3j h VAL 54 N -0.11 0.93 -0.80 3.17 2.07 -1.96 -2.30 116.25 117.24 1s3j h VAL 54 Ca -0.46 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1s3j h VAL 54 Cb 1.24 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1s3j h VAL 54 CO 0.55 0.15 0.39 0.77 0.02 0.00 0.00 177.57 179.44 1s3j h SER 55 N 0.82 1.03 -0.35 0.57 4.64 -1.93 0.87 113.55 119.20 1s3j h SER 55 Ca 0.40 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1s3j h SER 55 Cb 0.34 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1s3j h SER 55 CO -0.24 0.86 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.01 1s3j h GLU 56 N 1.13 0.85 -0.32 4.77 5.08 -1.81 -1.28 114.58 123.00 1s3j h GLU 56 Ca 0.28 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1s3j h GLU 56 Cb 0.10 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s3j h GLU 56 CO -0.04 1.00 -0.38 0.82 -1.00 0.00 0.00 179.01 179.42 1s3j h ILE 57 N 0.73 1.29 -0.53 3.13 2.04 -1.06 -2.58 117.51 120.53 1s3j h ILE 57 Ca 0.09 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.43 1s3j h ILE 57 Cb 0.79 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1s3j h ILE 57 CO 0.07 0.51 0.31 0.00 0.00 0.00 0.00 178.15 179.03 1s3j h ALA 58 N 0.72 0.68 -0.63 1.87 0.00 -0.68 -2.89 119.26 118.33 1s3j h ALA 58 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1s3j h ALA 58 Cb 0.97 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1s3j h ALA 58 CO 0.09 0.01 0.37 0.93 0.00 0.00 0.00 179.25 180.65 1s3j h GLU 59 N 0.61 0.86 -1.01 0.00 5.08 -1.08 0.06 114.58 119.11 1s3j h GLU 59 Ca 0.22 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1s3j h GLU 59 Cb 0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1s3j h GLU 59 CO -0.11 0.63 0.00 0.54 -1.00 0.00 0.00 179.01 179.07 1s3j n ARG 60 N -4.58 0.24 -2.65 2.33 1.74 -0.99 -4.80 116.66 107.95 1s3j n ARG 60 Ca 0.05 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1s3j n ARG 60 Cb 0.06 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.63 0.29 -4.30 5.56 1.02 -0.04 -5.12 120.64 118.69 1s3j n GLU 62 Ca 0.00 -0.81 -0.16 0.00 -0.02 0.00 0.00 57.16 56.17 1s3j n GLU 62 Cb 0.09 -0.01 -0.10 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.05 0.79 0.42 2.62 -7.23 -0.92 -5.14 120.40 110.99 1s3j s VAL 63 Ca 0.05 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 1s3j s VAL 63 Cb 0.10 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 1s3j s VAL 63 CO -0.02 -0.25 1.13 -0.54 -0.31 0.00 0.00 175.10 175.10 1s3j s LYS 64 N -3.93 4.01 0.26 4.82 1.02 -1.26 -4.41 119.74 120.25 1s3j s LYS 64 Ca 0.30 1.71 -0.01 0.00 0.02 0.00 0.00 55.97 57.99 1s3j s LYS 64 Cb 0.07 -2.55 0.53 0.00 -0.52 0.00 0.00 37.83 35.36 1s3j s LYS 64 CO 0.09 -0.32 1.75 -1.35 -0.92 0.00 0.00 175.35 174.59 1s3j h PRO 65 N 2.42 0.53 -0.88 -1.68 0.11 -1.91 -1.23 132.00 129.35 1s3j h PRO 65 Ca -0.49 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 65.77 1s3j h PRO 65 Cb 1.23 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1s3j h PRO 65 CO 0.62 0.35 0.58 0.66 -0.21 0.00 0.00 178.00 180.00 1s3j h SER 66 N 0.55 0.51 -0.27 -2.05 4.64 -1.97 -0.53 113.55 114.44 1s3j h SER 66 Ca 0.46 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.76 1s3j h SER 66 Cb 0.69 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1s3j h SER 66 CO -0.39 0.23 -0.08 0.00 -0.87 0.00 0.00 176.83 175.72 1s3j h ALA 67 N 1.61 0.37 -0.10 5.18 0.00 -1.60 -2.89 119.26 121.84 1s3j h ALA 67 Ca 0.46 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1s3j h ALA 67 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1s3j h ALA 67 CO -0.19 0.19 -0.18 0.28 0.00 0.00 0.00 179.25 179.34 1s3j h VAL 68 N 0.27 1.18 -0.60 0.00 2.07 -1.07 -2.61 116.25 115.49 1s3j h VAL 68 Ca 0.07 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1s3j h VAL 68 Cb 0.56 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1s3j h VAL 68 CO 0.03 0.25 0.02 0.74 0.02 0.00 0.00 177.57 178.63 1s3j h THR 69 N 0.15 1.26 0.00 2.57 2.02 -1.05 0.68 112.91 118.54 1s3j h THR 69 Ca 0.03 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1s3j h THR 69 Cb 0.42 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1s3j h THR 69 CO 0.03 0.41 0.00 0.18 0.37 0.00 0.00 175.52 176.50 1s3j n LEU 70 N -4.19 1.21 0.00 2.58 4.77 -0.99 -1.77 117.00 118.61 1s3j n LEU 70 Ca 0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1s3j n LEU 70 Cb 0.33 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1s3j n LEU 70 CO 0.44 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.70 1s3j n ALA 72 N 0.79 0.00 -0.06 -1.18 0.00 0.23 -2.58 120.51 117.72 1s3j n ALA 72 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1s3j n ALA 72 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 1s3j n ALA 72 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s3j h ASP 73 N 0.00 0.30 -0.41 0.00 3.58 -1.60 0.10 116.42 118.40 1s3j h ASP 73 Ca 0.00 -0.27 -0.12 0.00 0.42 0.00 0.00 57.03 57.06 1s3j h ASP 73 Cb 0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1s3j h ASP 73 CO 0.00 0.50 -0.20 -0.09 -2.88 0.00 0.00 179.24 176.56 1s3j h ARG 74 N 0.10 0.91 -0.21 0.28 9.65 -1.79 -1.19 114.38 122.13 1s3j h ARG 74 Ca 0.06 -0.37 -0.07 0.00 -1.10 0.00 0.00 59.98 58.49 1s3j h ARG 74 Cb 0.33 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1s3j h ARG 74 CO 0.00 1.02 -0.19 -0.07 2.80 0.00 0.00 179.97 183.54 1s3j h LEU 75 N 0.79 0.36 -0.41 3.80 3.38 -1.80 -1.79 115.31 119.64 1s3j h LEU 75 Ca 0.11 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1s3j h LEU 75 Cb 0.75 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1s3j h LEU 75 CO 0.06 0.57 -0.21 -0.08 0.09 0.00 0.00 178.44 178.87 1s3j h GLU 76 N 0.34 0.87 -0.90 1.13 4.81 -0.70 -0.74 114.58 119.39 1s3j h GLU 76 Ca 0.06 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1s3j h GLU 76 Cb 0.53 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1s3j h GLU 76 CO 0.03 1.03 0.57 0.37 -0.73 0.00 0.00 179.01 180.28 1s3j h GLN 77 N 0.68 1.02 0.00 1.92 4.15 -0.84 0.21 115.11 122.26 1s3j h GLN 77 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1s3j h GLN 77 Cb 0.78 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1s3j h GLN 77 CO 0.06 0.68 0.00 1.63 -1.93 0.00 0.00 178.83 179.27 1s3j n LYS 78 N -4.57 0.15 -2.31 1.69 5.02 -0.71 -4.89 118.16 112.55 1s3j n LYS 78 Ca 0.13 0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1s3j n LYS 78 Cb 0.15 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.39 -3.82 0.04 4.39 5.15 0.06 -4.92 115.26 114.77 1s3j n ASN 79 Ca 0.07 -0.04 0.10 0.00 -0.60 0.00 0.00 54.58 54.12 1s3j n ASN 79 Cb 0.21 -2.98 -0.10 0.00 -0.53 0.00 0.00 39.78 36.38 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 -1.80 0.39 -4.23 1.20 4.77 -0.34 -4.27 117.00 112.73 1s3j n LEU 80 Ca -0.12 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1s3j n LEU 80 Cb 0.60 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1s3j n LEU 80 CO 0.18 -0.05 -0.32 0.27 -1.33 0.00 0.00 177.39 176.14 1s3j s ILE 81 N -3.39 0.55 0.06 -0.08 -4.36 -1.21 -2.51 121.20 110.25 1s3j s ILE 81 Ca -0.05 -1.97 0.08 0.00 -0.26 0.00 0.00 60.65 58.46 1s3j s ILE 81 Cb 0.12 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 1s3j s ILE 81 CO 0.85 -0.45 -0.20 0.00 0.24 0.00 0.00 174.94 175.39 1s3j s ALA 82 N -3.74 2.54 -0.18 2.27 0.00 0.56 -4.43 121.76 118.77 1s3j s ALA 82 Ca 0.25 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1s3j s ALA 82 Cb 0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1s3j s ALA 82 CO 0.04 0.57 -0.06 1.03 0.00 0.00 0.00 175.76 177.34 1s3j s ARG 83 N -1.54 3.46 0.17 0.00 0.52 -1.26 -1.82 118.95 118.47 1s3j s ARG 83 Ca 0.15 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1s3j s ARG 83 Cb -0.10 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1s3j s ARG 83 CO 0.05 0.01 0.01 0.95 0.02 0.00 0.00 175.30 176.34 1s3j s THR 84 N 0.93 0.63 0.06 0.02 -4.23 -0.61 -4.97 115.64 107.47 1s3j s THR 84 Ca -0.01 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 1s3j s THR 84 Cb -0.15 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.54 1s3j s THR 84 CO 0.01 -0.48 1.04 -1.00 -0.54 0.00 0.00 174.62 173.64 1s3j s HIS 85 N -3.69 3.64 0.47 3.99 3.76 -1.26 -0.68 115.29 121.52 1s3j s HIS 85 Ca 0.24 1.63 -0.23 0.00 -0.15 0.00 0.00 55.06 56.54 1s3j s HIS 85 Cb 0.06 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.49 1s3j s HIS 85 CO 0.04 -0.31 1.22 1.21 -0.85 0.00 0.00 174.74 176.05 1s3j s ASN 86 N 0.63 6.00 0.17 1.40 3.84 -0.21 -4.76 114.94 122.01 1s3j s ASN 86 Ca 0.52 2.44 -0.05 0.00 0.21 0.00 0.00 52.86 55.98 1s3j s ASN 86 Cb -0.24 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 37.89 1s3j s ASN 86 CO 0.30 -1.04 1.45 0.71 -2.79 0.00 0.00 177.10 175.72 1s3j h THR 87 N 1.85 1.33 -0.03 -5.21 1.35 -1.95 -2.93 112.91 107.31 1s3j h THR 87 Ca -0.50 -1.92 -0.03 0.00 -0.55 0.00 0.00 66.41 63.42 1s3j h THR 87 Cb 1.26 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1s3j h THR 87 CO 0.60 0.59 -0.10 0.50 -0.25 0.00 0.00 175.52 176.86 1s3j h LYS 88 N 0.42 0.12 -3.39 4.72 3.64 -1.98 -3.41 116.57 116.70 1s3j h LYS 88 Ca -0.01 -0.09 -0.49 0.00 -1.27 0.00 0.00 60.65 58.79 1s3j h LYS 88 Cb 1.20 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 1s3j h LYS 88 CO 0.12 0.71 -0.76 0.34 -2.27 0.00 0.00 179.45 177.59 1s3j s ASP 89 N -6.01 2.54 0.58 4.20 -1.08 -1.24 -5.03 116.67 110.64 1s3j s ASP 89 Ca -0.16 -0.66 0.35 0.00 -0.52 0.00 0.00 52.55 51.57 1s3j s ASP 89 Cb 0.02 -0.45 1.80 0.00 -1.46 0.00 0.00 42.92 42.83 1s3j s ASP 89 CO 0.71 -0.31 2.17 0.03 0.52 0.00 0.00 175.17 178.29 1s3j h ARG 90 N 8.32 0.00 0.00 4.34 2.47 -1.76 -0.39 114.38 127.36 1s3j h ARG 90 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1s3j h ARG 90 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1s3j h ARG 90 CO 0.31 0.04 0.00 0.54 0.56 0.00 0.00 179.97 181.42 1s3j n ARG 91 N -3.33 0.08 -3.39 0.04 1.74 -1.26 -4.27 116.66 106.27 1s3j n ARG 91 Ca -0.02 0.19 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 1s3j n ARG 91 Cb 0.19 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 1s3j n ARG 91 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s3j s VAL 92 N -3.07 4.90 -0.17 1.55 1.01 -0.15 -5.00 120.40 119.46 1s3j s VAL 92 Ca 0.09 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.74 1s3j s VAL 92 Cb 0.13 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1s3j s VAL 92 CO 0.43 0.21 0.06 -0.63 0.00 0.00 0.00 175.10 175.17 1s3j s ILE 93 N -1.50 4.75 0.01 2.22 -1.09 -1.26 -1.04 121.20 123.29 1s3j s ILE 93 Ca 0.38 -0.05 -0.12 0.00 -2.23 0.00 0.00 60.65 58.63 1s3j s ILE 93 Cb -0.14 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1s3j s ILE 93 CO 0.19 0.48 0.36 -1.81 -1.23 0.00 0.00 174.94 172.93 1s3j s ASP 94 N 0.22 6.68 -0.10 3.58 1.01 0.15 -3.97 116.67 124.24 1s3j s ASP 94 Ca 0.04 0.82 -0.03 0.00 0.71 0.00 0.00 52.55 54.09 1s3j s ASP 94 Cb -0.12 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1s3j s ASP 94 CO 0.00 0.29 0.01 -0.76 0.21 0.00 0.00 175.17 174.92 1s3j s LEU 95 N -1.37 3.63 0.13 1.23 1.43 0.11 -1.57 118.68 122.27 1s3j s LEU 95 Ca 0.26 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1s3j s LEU 95 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1s3j s LEU 95 CO 0.14 0.36 0.26 -0.94 0.23 0.00 0.00 176.35 176.40 1s3j s SER 96 N -0.77 0.04 0.48 2.29 1.04 -0.76 -1.43 113.70 114.58 1s3j s SER 96 Ca 0.12 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1s3j s SER 96 Cb -0.12 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 1s3j s SER 96 CO 0.02 -0.82 1.12 -0.76 0.98 0.00 0.00 173.24 173.79 1s3j s LEU 97 N -2.90 3.93 0.55 2.42 1.43 -1.26 -0.32 118.68 122.53 1s3j s LEU 97 Ca 0.09 2.18 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1s3j s LEU 97 Cb 0.04 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.91 1s3j s LEU 97 CO -0.07 -0.93 0.79 0.42 0.23 0.00 0.00 176.35 176.79 1s3j s THR 98 N -1.69 3.02 0.33 5.49 -4.23 -1.05 -4.66 115.64 112.86 1s3j s THR 98 Ca 0.66 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1s3j s THR 98 Cb -0.25 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.60 1s3j s THR 98 CO 0.29 -0.12 1.87 0.44 -0.54 0.00 0.00 174.62 176.56 1s3j h ASP 99 N 0.04 0.52 -0.59 3.99 3.32 -1.89 -1.71 116.42 120.11 1s3j h ASP 99 Ca -0.44 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.46 1s3j h ASP 99 Cb 1.29 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1s3j h ASP 99 CO 0.55 0.59 0.16 -0.33 -1.72 0.00 0.00 179.24 178.49 1s3j h GLU 100 N 0.53 0.97 -0.32 3.56 3.07 -1.89 -1.67 114.58 118.82 1s3j h GLU 100 Ca 0.11 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 1s3j h GLU 100 Cb 0.33 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1s3j h GLU 100 CO 0.01 0.85 -0.36 0.78 -1.40 0.00 0.00 179.01 178.89 1s3j h GLY 101 N 1.03 0.81 0.97 -3.84 0.00 -1.47 0.78 103.07 101.34 1s3j h GLY 101 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1s3j h GLY 101 CO -0.00 0.71 0.22 -1.80 0.00 0.00 0.00 176.54 175.67 1s3j h ASP 102 N 0.62 0.59 -0.20 0.19 3.58 -1.12 -0.26 116.42 119.81 1s3j h ASP 102 Ca 0.06 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1s3j h ASP 102 Cb 0.90 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1s3j h ASP 102 CO 0.08 0.54 0.06 0.40 -2.88 0.00 0.00 179.24 177.44 1s3j h ILE 103 N 0.59 1.20 -0.31 2.25 2.04 -1.13 -1.84 117.51 120.30 1s3j h ILE 103 Ca 0.16 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.44 1s3j h ILE 103 Cb 0.10 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1s3j h ILE 103 CO -0.02 0.20 -0.01 0.50 0.00 0.00 0.00 178.15 178.82 1s3j h LYS 104 N 0.15 0.08 -0.49 2.37 1.63 -0.67 -0.55 116.57 119.09 1s3j h LYS 104 Ca 0.06 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1s3j h LYS 104 Cb 0.25 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 1s3j h LYS 104 CO -0.00 0.05 0.27 0.35 -3.45 0.00 0.00 179.45 176.67 1s3j h PHE 105 N 0.08 0.50 -0.31 1.91 3.57 -0.90 -1.10 116.94 120.69 1s3j h PHE 105 Ca 0.15 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 1s3j h PHE 105 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1s3j h PHE 105 CO -0.24 0.26 -0.24 0.93 -2.23 0.00 0.00 178.31 176.79 1s3j h GLU 106 N 0.53 0.61 -0.85 1.11 4.39 -0.82 -1.84 114.58 117.71 1s3j h GLU 106 Ca 0.21 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1s3j h GLU 106 Cb 0.08 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1s3j h GLU 106 CO -0.12 0.80 0.51 0.93 -1.16 0.00 0.00 179.01 179.96 1s3j h GLU 107 N 0.53 1.15 -0.26 2.33 5.08 -0.57 -0.08 114.58 122.77 1s3j h GLU 107 Ca 0.08 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1s3j h GLU 107 Cb 0.70 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1s3j h GLU 107 CO 0.05 0.81 -0.25 0.28 -1.00 0.00 0.00 179.01 178.90 1s3j h VAL 108 N 1.17 1.31 -0.56 3.13 2.07 -0.80 -1.66 116.25 120.91 1s3j h VAL 108 Ca 0.30 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1s3j h VAL 108 Cb -0.04 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1s3j h VAL 108 CO -0.06 0.45 0.21 -0.07 0.02 0.00 0.00 177.57 178.12 1s3j h LEU 109 N 0.34 0.74 -0.58 2.57 4.07 -1.03 -2.08 115.31 119.35 1s3j h LEU 109 Ca 0.04 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 1s3j h LEU 109 Cb 0.81 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1s3j h LEU 109 CO 0.06 0.67 -0.69 0.00 -1.08 0.00 0.00 178.44 177.40 1s3j h ALA 110 N 1.44 0.80 -0.38 1.53 0.00 -0.93 -1.83 119.26 119.89 1s3j h ALA 110 Ca 0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1s3j h ALA 110 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s3j h ALA 110 CO -0.02 0.82 -0.24 0.78 0.00 0.00 0.00 179.25 180.60 1s3j h GLY 111 N 1.83 0.82 1.02 0.00 0.00 -0.76 -1.81 103.07 104.16 1s3j h GLY 111 Ca -0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 47.33 46.44 1s3j h GLY 111 CO 0.10 0.64 -0.61 3.21 0.00 0.00 0.00 176.54 179.88 1s3j h ARG 112 N 0.66 0.66 -0.55 4.80 3.08 -1.30 -2.81 114.38 118.92 1s3j h ARG 112 Ca 0.09 -0.52 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 1s3j h ARG 112 Cb 0.74 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1s3j h ARG 112 CO 0.06 1.14 0.05 -0.22 -1.07 0.00 0.00 179.97 179.93 1s3j h LYS 113 N 0.34 0.90 -0.26 0.04 3.64 -1.27 -2.78 116.57 117.17 1s3j h LYS 113 Ca -0.04 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1s3j h LYS 113 Cb 1.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1s3j h LYS 113 CO 0.13 0.86 -0.26 0.00 -2.27 0.00 0.00 179.45 177.91 1s3j h ALA 114 N 1.21 1.07 0.00 5.00 0.00 -1.34 0.25 119.26 125.45 1s3j h ALA 114 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s3j h ALA 114 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1s3j h ALA 114 CO 0.02 0.57 0.00 -0.89 0.00 0.00 0.00 179.25 178.94 1s3j n ILE 115 N -4.11 0.03 0.00 0.00 5.41 -1.05 -2.09 119.36 117.54 1s3j n ILE 115 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1s3j n ILE 115 Cb 0.41 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 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 0.39 0.00 -0.03 -1.39 0.00 0.88 -2.82 120.51 117.53 1s3j n ALA 117 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1s3j n ALA 117 Cb 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 1s3j n ALA 117 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1s3j h ARG 118 N 0.00 0.27 -0.04 0.00 2.43 -1.67 -1.28 114.38 114.09 1s3j h ARG 118 Ca 0.00 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1s3j h ARG 118 Cb 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1s3j h ARG 118 CO 0.00 0.87 -0.10 1.88 -1.51 0.00 0.00 179.97 181.11 1s3j h TYR 119 N -0.26 0.05 0.00 2.20 -1.99 -1.81 -2.94 116.97 112.22 1s3j h TYR 119 Ca -0.02 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 1s3j h TYR 119 Cb 0.92 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1s3j h TYR 119 CO 0.14 0.16 -1.08 -0.07 -0.00 0.00 0.00 178.16 177.31 1s3j h LEU 120 N 0.05 0.00 -2.18 3.88 3.38 -1.86 -3.29 115.31 115.30 1s3j h LEU 120 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s3j h LEU 120 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1s3j h LEU 120 CO 0.01 0.29 0.00 0.77 0.09 0.00 0.00 178.44 179.61 1s3j h SER 121 N 0.00 0.00 0.65 -0.43 4.64 -1.04 -0.45 113.55 116.93 1s3j h SER 121 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1s3j h SER 121 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1s3j h SER 121 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1s3j n PHE 122 N -2.72 0.16 -4.02 4.77 3.72 -1.24 -4.82 117.46 113.32 1s3j n PHE 122 Ca -0.02 0.06 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 1s3j n PHE 122 Cb 0.08 -0.60 -0.05 0.00 -0.94 0.00 0.00 39.48 37.97 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 -3.29 3.98 0.89 4.37 1.43 -0.18 -5.11 118.68 120.77 1s3j s LEU 123 Ca 0.08 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1s3j s LEU 123 Cb 0.11 -2.61 0.12 0.00 0.03 0.00 0.00 46.19 43.84 1s3j s LEU 123 CO 0.34 0.12 1.10 0.42 0.23 0.00 0.00 176.35 178.56 1s3j s THR 124 N -1.57 2.59 0.20 5.49 -4.23 -1.26 -4.95 115.64 111.91 1s3j s THR 124 Ca 0.32 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1s3j s THR 124 Cb -0.12 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.05 1s3j s THR 124 CO 0.24 -0.25 1.76 -0.08 -0.54 0.00 0.00 174.62 175.76 1s3j h GLU 125 N -1.46 1.05 -0.42 3.99 4.81 -1.99 -2.00 114.58 118.56 1s3j h GLU 125 Ca -0.50 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1s3j h GLU 125 Cb 1.29 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 1s3j h GLU 125 CO 0.57 0.86 0.03 1.49 -0.73 0.00 0.00 179.01 181.24 1s3j h GLU 126 N 1.01 0.14 -1.70 1.92 4.81 -2.04 -0.67 114.58 118.05 1s3j h GLU 126 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1s3j h GLU 126 Cb 0.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1s3j h GLU 126 CO -0.02 0.09 0.00 0.39 -0.73 0.00 0.00 179.01 178.74 1s3j n GLU 127 N -5.17 0.35 0.00 1.92 1.02 -0.75 -1.73 120.64 116.28 1s3j n GLU 127 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1s3j n GLU 127 Cb 0.21 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.97 0.00 -0.13 -4.62 4.77 -0.26 -0.35 117.00 117.38 1s3j n LEU 129 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1s3j n LEU 129 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1s3j n LEU 129 CO 0.00 0.00 0.61 1.56 -1.33 0.00 0.00 177.39 178.23 1s3j h GLN 130 N 0.00 0.91 -0.29 3.23 4.20 -1.60 -2.08 115.11 119.48 1s3j h GLN 130 Ca 0.00 -0.43 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 1s3j h GLN 130 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1s3j h GLN 130 CO 0.00 1.08 -0.26 0.00 -0.67 0.00 0.00 178.83 178.98 1s3j h ALA 131 N 0.80 1.00 -0.05 3.87 0.00 -0.96 0.00 119.26 123.92 1s3j h ALA 131 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1s3j h ALA 131 Cb 0.85 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1s3j h ALA 131 CO 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1s3j h ALA 132 N 1.21 0.08 -0.51 0.00 0.00 -1.79 -1.17 119.26 117.09 1s3j h ALA 132 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s3j h ALA 132 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1s3j h ALA 132 CO 0.05 -0.20 0.32 1.25 0.00 0.00 0.00 179.25 180.67 1s3j h HIS 133 N -0.26 0.66 -0.06 0.00 6.17 -1.26 -1.18 115.15 119.23 1s3j h HIS 133 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 1s3j h HIS 133 Cb 0.43 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.14 1s3j h HIS 133 CO 0.06 0.45 0.02 0.82 0.71 0.00 0.00 177.93 179.99 1s3j h ILE 134 N 0.68 1.14 -0.49 6.26 2.04 -0.96 -2.40 117.51 123.79 1s3j h ILE 134 Ca 0.18 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1s3j h ILE 134 Cb -0.03 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1s3j h ILE 134 CO -0.04 0.12 0.17 0.71 0.00 0.00 0.00 178.15 179.11 1s3j h THR 135 N -0.08 1.22 -0.67 -0.27 1.35 -1.15 -1.70 112.91 111.62 1s3j h THR 135 Ca 0.02 -0.73 0.08 0.00 -0.55 0.00 0.00 66.41 65.23 1s3j h THR 135 Cb 0.17 0.77 -0.07 0.00 -1.73 0.00 0.00 68.15 67.30 1s3j h THR 135 CO -0.00 0.27 0.33 0.00 -0.25 0.00 0.00 175.52 175.86 1s3j h ALA 136 N 1.02 0.91 -0.14 6.62 0.00 -1.20 -1.21 119.26 125.26 1s3j h ALA 136 Ca 0.16 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1s3j h ALA 136 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s3j h ALA 136 CO -0.01 -0.06 -0.79 -0.22 0.00 0.00 0.00 179.25 178.17 1s3j h LYS 137 N 0.57 0.76 -0.91 0.00 3.64 -1.24 -2.12 116.57 117.27 1s3j h LYS 137 Ca 0.32 -0.63 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1s3j h LYS 137 Cb 0.32 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1s3j h LYS 137 CO -0.25 1.23 0.53 -0.07 -2.27 0.00 0.00 179.45 178.62 1s3j h LEU 138 N 0.51 1.12 -0.59 5.20 3.38 -1.16 -1.63 115.31 122.13 1s3j h LEU 138 Ca -0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1s3j h LEU 138 Cb 1.42 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1s3j h LEU 138 CO 0.16 0.88 0.26 0.00 0.09 0.00 0.00 178.44 179.83 1s3j h ALA 139 N 1.31 0.77 0.00 1.53 0.00 -1.12 -3.06 119.26 118.70 1s3j h ALA 139 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s3j h ALA 139 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1s3j h ALA 139 CO -0.06 0.36 0.00 0.37 0.00 0.00 0.00 179.25 179.92 1s3j h GLN 140 N 0.82 0.00 0.02 0.00 4.15 -1.19 -3.36 115.11 115.55 1s3j h GLN 140 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1s3j h GLN 140 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1s3j h GLN 140 CO -0.02 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.87 1s3j h ALA 141 N 2.41 -0.03 -0.01 3.38 0.00 -1.19 -3.51 119.26 120.32 1s3j h ALA 141 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s3j h ALA 141 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1s3j h ALA 141 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20