#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5mba s LEU 2 N 0.00 4.16 0.82 1.04 1.02 -0.58 -5.02 118.68 120.12 5mba s LEU 2 Ca 0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 54.13 53.98 5mba s LEU 2 Cb 0.00 -2.80 0.10 0.00 0.02 0.00 0.00 46.19 43.51 5mba s LEU 2 CO 0.00 -0.23 1.18 -0.94 0.02 0.00 0.00 176.35 176.37 5mba s SER 3 N -4.07 4.30 0.25 2.29 1.04 -1.26 -4.17 113.70 112.09 5mba s SER 3 Ca 0.39 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 57.41 5mba s SER 3 Cb -0.09 -1.05 0.29 0.00 0.10 0.00 0.00 66.02 65.27 5mba s SER 3 CO 0.30 -2.01 1.74 0.00 0.98 0.00 0.00 173.24 174.25 5mba h ALA 4 N -1.08 1.06 0.01 5.32 0.00 -1.96 0.36 119.26 122.96 5mba h ALA 4 Ca -0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 5mba h ALA 4 Cb 1.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.90 5mba h ALA 4 CO 0.60 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 180.43 5mba h ALA 5 N 1.22 -0.01 -0.28 0.00 0.00 -2.00 -1.43 119.26 116.77 5mba h ALA 5 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 5mba h ALA 5 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 5mba h ALA 5 CO 0.02 -0.46 0.15 0.93 0.00 0.00 0.00 179.25 179.90 5mba h GLU 6 N -0.10 0.39 -0.62 0.00 5.08 -1.84 -1.87 114.58 115.61 5mba h GLU 6 Ca -0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 5mba h GLU 6 Cb 0.10 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 5mba h GLU 6 CO 0.00 0.34 0.41 0.00 -1.00 0.00 0.00 179.01 178.76 5mba h ALA 7 N 1.03 1.83 -0.58 3.43 0.00 -0.19 -0.60 119.26 124.18 5mba h ALA 7 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 5mba h ALA 7 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 5mba h ALA 7 CO -0.02 0.06 -0.01 -0.44 0.00 0.00 0.00 179.25 178.85 5mba h ASP 8 N 0.58 1.00 -0.58 0.00 3.32 -0.63 0.11 116.42 120.22 5mba h ASP 8 Ca 0.27 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 5mba h ASP 8 Cb 0.32 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 5mba h ASP 8 CO -0.08 1.06 0.09 -0.07 -1.72 0.00 0.00 179.24 178.52 5mba h LEU 9 N 0.93 0.95 -0.37 1.55 3.38 -0.39 0.13 115.31 121.49 5mba h LEU 9 Ca 0.17 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 5mba h LEU 9 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 5mba h LEU 9 CO 0.03 0.95 -0.03 0.00 0.09 0.00 0.00 178.44 179.48 5mba h ALA 10 N 1.16 0.51 -0.69 1.53 0.00 -0.85 -1.97 119.26 118.94 5mba h ALA 10 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 5mba h ALA 10 Cb 0.41 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 5mba h ALA 10 CO 0.01 0.31 0.27 0.78 0.00 0.00 0.00 179.25 180.62 5mba h GLY 11 N 0.50 1.09 1.03 0.00 0.00 -0.35 -0.84 103.07 104.49 5mba h GLY 11 Ca 0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 5mba h GLY 11 CO 0.03 0.54 0.33 1.70 0.00 0.00 0.00 176.54 179.14 5mba h LYS 12 N 0.99 1.09 0.00 4.80 3.64 -0.50 -2.19 116.57 124.41 5mba h LYS 12 Ca 0.23 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 5mba h LYS 12 Cb 0.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 5mba h LYS 12 CO -0.02 0.88 -0.27 0.66 -2.27 0.00 0.00 179.45 178.43 5mba h SER 13 N 1.06 0.00 0.25 4.20 4.64 -0.85 -3.30 113.55 119.55 5mba h SER 13 Ca 0.25 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.32 5mba h SER 13 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 5mba h SER 13 CO -0.03 0.27 -1.04 -0.25 -0.87 0.00 0.00 176.83 174.91 5mba h TRP 14 N 0.00 0.77 -0.44 4.77 2.91 -0.82 -3.38 115.95 119.76 5mba h TRP 14 Ca -0.00 -0.44 0.07 0.00 1.13 0.00 0.00 58.89 59.65 5mba h TRP 14 Cb 1.00 -0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 29.48 5mba h TRP 14 CO 0.00 1.28 -0.46 0.00 -1.03 0.00 0.00 178.44 178.22 5mba h ALA 15 N 0.58 -0.50 -0.51 2.65 0.00 -1.49 0.33 119.26 120.32 5mba h ALA 15 Ca -0.11 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 5mba h ALA 15 Cb 1.69 0.97 -0.03 0.00 0.00 0.00 0.00 17.79 20.42 5mba h ALA 15 CO 0.19 -0.91 0.34 -1.35 0.00 0.00 0.00 179.25 177.52 5mba h PRO 16 N -0.32 0.43 0.28 0.00 0.11 -1.78 0.64 132.00 131.36 5mba h PRO 16 Ca 0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 5mba h PRO 16 Cb 0.58 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.60 5mba h PRO 16 CO -0.61 0.29 -0.13 0.28 -0.21 0.00 0.00 178.00 177.62 5mba h VAL 17 N 0.45 0.71 -0.06 3.15 2.07 -1.00 -3.07 116.25 118.50 5mba h VAL 17 Ca 0.22 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.04 5mba h VAL 17 Cb 0.31 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 5mba h VAL 17 CO -0.06 0.14 0.05 0.15 0.02 0.00 0.00 177.57 177.87 5mba h PHE 18 N -0.79 0.00 -0.86 1.57 3.57 -0.14 -2.95 116.94 117.34 5mba h PHE 18 Ca -0.04 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.69 5mba h PHE 18 Cb 0.51 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 5mba h PHE 18 CO 0.04 0.00 0.60 0.00 -2.23 0.00 0.00 178.31 176.72 5mba h ALA 19 N 1.95 2.62 -2.33 2.41 0.00 -0.77 -1.78 119.26 121.36 5mba h ALA 19 Ca 0.03 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 5mba h ALA 19 Cb 0.13 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 5mba h ALA 19 CO -0.00 -0.88 -0.75 0.09 0.00 0.00 0.00 179.25 177.71 5mba n ASN 20 N -4.35 2.36 -0.17 0.00 5.03 -1.11 -4.96 115.26 112.05 5mba n ASN 20 Ca 0.18 -3.12 -0.08 0.00 0.87 0.00 0.00 54.58 52.43 5mba n ASN 20 Cb 0.85 -0.67 0.01 0.00 -1.02 0.00 0.00 39.78 38.95 5mba n ASN 20 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 5mba h LYS 21 N 4.49 0.70 0.96 3.52 3.64 -1.46 -1.32 116.57 127.10 5mba h LYS 21 Ca 0.17 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 5mba h LYS 21 Cb 0.75 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 5mba h LYS 21 CO 0.68 0.55 -0.46 -0.91 -2.27 0.00 0.00 179.45 177.04 5mba h ASN 22 N 0.66 -1.09 -0.58 4.20 -0.26 -1.93 0.26 115.58 116.84 5mba h ASN 22 Ca 0.17 0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.90 5mba h ASN 22 Cb 0.07 0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 5mba h ASN 22 CO -0.03 -0.76 0.19 0.00 -1.06 0.00 0.00 177.43 175.77 5mba h ALA 23 N -1.37 1.17 0.06 -0.83 0.00 -1.97 -2.59 119.26 113.71 5mba h ALA 23 Ca -0.13 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.32 5mba h ALA 23 Cb 0.99 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.54 5mba h ALA 23 CO 0.22 0.58 -1.09 -0.91 0.00 0.00 0.00 179.25 178.05 5mba h ASN 24 N 0.91 0.63 -0.65 0.00 -0.26 -1.24 -2.56 115.58 112.40 5mba h ASN 24 Ca 0.20 -0.55 -0.04 0.00 -0.56 0.00 0.00 56.30 55.36 5mba h ASN 24 Cb 0.27 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 5mba h ASN 24 CO -0.01 1.37 0.27 1.23 -1.06 0.00 0.00 177.43 179.23 5mba h GLY 25 N 1.01 1.04 0.93 2.83 0.00 -0.43 -1.08 103.07 107.36 5mba h GLY 25 Ca -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 5mba h GLY 25 CO 0.19 0.53 0.13 1.41 0.00 0.00 0.00 176.54 178.80 5mba h LEU 26 N 0.92 0.37 -0.87 3.11 4.07 -1.52 -2.91 115.31 118.48 5mba h LEU 26 Ca 0.22 -0.14 0.09 0.00 0.08 0.00 0.00 57.88 58.13 5mba h LEU 26 Cb 0.19 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.76 5mba h LEU 26 CO -0.02 0.41 0.52 0.44 -1.08 0.00 0.00 178.44 178.71 5mba h ASP 27 N 0.31 0.78 -0.47 -0.43 3.32 -1.17 -1.27 116.42 117.50 5mba h ASP 27 Ca 0.10 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 5mba h ASP 27 Cb 0.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 5mba h ASP 27 CO -0.01 0.46 0.20 0.15 -1.72 0.00 0.00 179.24 178.32 5mba h PHE 28 N 0.89 0.69 -0.25 4.55 3.57 -1.06 -0.55 116.94 124.79 5mba h PHE 28 Ca 0.41 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 5mba h PHE 28 Cb 0.31 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 5mba h PHE 28 CO -0.04 0.57 0.10 1.25 -2.23 0.00 0.00 178.31 177.97 5mba h LEU 29 N 0.61 0.34 -0.08 0.59 5.85 -1.25 -1.20 115.31 120.17 5mba h LEU 29 Ca 0.16 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.73 5mba h LEU 29 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 5mba h LEU 29 CO -0.02 0.40 0.04 0.58 -0.34 0.00 0.00 178.44 179.11 5mba h VAL 30 N 0.25 1.00 -0.94 1.05 2.07 -1.14 -1.63 116.25 116.91 5mba h VAL 30 Ca 0.08 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.64 5mba h VAL 30 Cb 0.17 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 5mba h VAL 30 CO -0.01 0.02 0.60 0.00 0.02 0.00 0.00 177.57 178.19 5mba h ALA 31 N 1.04 1.31 0.19 1.67 0.00 -0.95 -0.03 119.26 122.49 5mba h ALA 31 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 5mba h ALA 31 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 5mba h ALA 31 CO -0.02 0.35 -0.09 1.25 0.00 0.00 0.00 179.25 180.74 5mba h LEU 32 N 1.07 -0.21 -1.69 0.00 5.85 -0.83 0.03 115.31 119.53 5mba h LEU 32 Ca 0.41 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 5mba h LEU 32 Cb 0.20 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 5mba h LEU 32 CO -0.18 -0.08 0.09 -0.26 -0.34 0.00 0.00 178.44 177.67 5mba h PHE 33 N -0.34 0.29 -0.13 1.25 0.04 -0.95 0.55 116.94 117.65 5mba h PHE 33 Ca -0.03 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.56 5mba h PHE 33 Cb 0.26 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.33 5mba h PHE 33 CO -0.04 0.23 -0.62 0.93 -0.60 0.00 0.00 178.31 178.20 5mba h GLU 34 N 0.30 0.64 0.00 1.51 5.08 -0.55 -3.03 114.58 118.54 5mba h GLU 34 Ca 0.08 -0.53 -0.15 0.00 -1.00 0.00 0.00 59.36 57.76 5mba h GLU 34 Cb 0.05 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 5mba h GLU 34 CO -0.01 1.14 -0.77 0.87 -1.00 0.00 0.00 179.01 179.24 5mba h LYS 35 N 0.30 0.00 -2.47 2.33 1.57 -0.46 -3.39 116.57 114.46 5mba h LYS 35 Ca -0.04 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.14 5mba h LYS 35 Cb 1.26 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.19 5mba h LYS 35 CO 0.13 0.62 -0.92 -0.06 -0.57 0.00 0.00 179.45 178.65 5mba s PHE 36 N -2.87 1.45 0.41 -1.35 0.08 0.19 -4.98 117.98 110.89 5mba s PHE 36 Ca 0.02 -2.48 0.17 0.00 0.12 0.00 0.00 56.93 54.76 5mba s PHE 36 Cb 0.08 -1.17 1.06 0.00 -0.57 0.00 0.00 43.02 42.42 5mba s PHE 36 CO 0.78 -0.79 1.83 -1.35 -0.10 0.00 0.00 175.22 175.59 5mba h PRO 37 N 5.60 0.42 0.00 0.24 0.10 -1.72 -1.65 132.00 135.00 5mba h PRO 37 Ca 0.25 -0.03 -0.01 0.00 0.10 0.00 0.00 66.00 66.32 5mba h PRO 37 Cb 0.89 -0.10 -0.00 0.00 0.10 0.00 0.00 31.00 31.89 5mba h PRO 37 CO 0.42 0.28 -0.04 0.38 0.10 0.00 0.00 178.00 179.14 5mba h ASP 38 N 0.43 0.00 -0.37 -2.05 2.03 -1.93 -3.08 116.42 111.45 5mba h ASP 38 Ca 0.51 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.82 5mba h ASP 38 Cb 1.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.71 5mba h ASP 38 CO -0.22 0.04 0.24 0.77 -1.03 0.00 0.00 179.24 179.05 5mba h SER 39 N 0.00 0.38 0.45 4.15 4.64 -1.65 -2.35 113.55 119.17 5mba h SER 39 Ca -0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 5mba h SER 39 Cb 0.12 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 5mba h SER 39 CO 0.01 0.27 -0.13 0.00 -0.87 0.00 0.00 176.83 176.11 5mba h ALA 40 N 1.78 1.24 0.00 5.18 0.00 -1.74 -2.55 119.26 123.17 5mba h ALA 40 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 5mba h ALA 40 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 5mba h ALA 40 CO -0.03 0.17 0.00 -0.91 0.00 0.00 0.00 179.25 178.48 5mba h ASN 41 N 0.00 0.00 1.58 0.00 2.35 -1.62 -2.09 115.58 115.80 5mba h ASN 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 5mba h ASN 41 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 5mba h ASN 41 CO 0.02 0.00 -0.32 -0.26 -1.65 0.00 0.00 177.43 175.22 5mba h PHE 42 N 0.00 0.00 -3.42 1.19 0.04 -1.60 -3.44 116.94 109.71 5mba h PHE 42 Ca 0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 5mba h PHE 42 Cb 0.25 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.30 5mba h PHE 42 CO 0.00 0.00 0.09 -0.06 -0.60 0.00 0.00 178.31 177.74 5mba s PHE 43 N -3.23 3.38 0.14 -0.55 0.40 -0.80 -4.95 117.98 112.36 5mba s PHE 43 Ca 0.05 0.91 -0.19 0.00 -0.60 0.00 0.00 56.93 57.10 5mba s PHE 43 Cb 0.08 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.83 5mba s PHE 43 CO 0.70 -0.15 1.70 0.00 0.70 0.00 0.00 175.22 178.16 5mba h ALA 44 N 7.46 0.17 0.00 5.36 0.00 -1.85 -0.23 119.26 130.16 5mba h ALA 44 Ca -0.32 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 5mba h ALA 44 Cb 1.15 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 5mba h ALA 44 CO 0.77 -0.46 -0.08 -0.44 0.00 0.00 0.00 179.25 179.04 5mba h ASP 45 N 0.01 0.00 -0.00 0.00 3.32 -1.92 -3.29 116.42 114.53 5mba h ASP 45 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 5mba h ASP 45 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 5mba h ASP 45 CO -0.25 0.08 -0.10 0.49 -1.72 0.00 0.00 179.24 177.74 5mba n PHE 46 N -3.30 0.00 -1.67 4.55 3.72 -0.96 -4.98 117.46 114.83 5mba n PHE 46 Ca -0.01 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.92 5mba n PHE 46 Cb 0.27 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.77 5mba n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 5mba n LYS 47 N -0.51 2.09 0.00 -1.08 4.81 -0.14 -2.01 118.16 121.33 5mba n LYS 47 Ca 0.01 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 5mba n LYS 47 Cb 0.08 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 32.59 5mba n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 5mba n GLY 48 N 3.59 2.85 3.83 3.14 0.00 -1.26 -5.02 105.19 112.33 5mba n GLY 48 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 5mba n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5mba s LYS 49 N -0.09 3.81 0.69 1.61 1.02 -0.85 -5.06 119.74 120.87 5mba s LYS 49 Ca 0.00 1.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.94 5mba s LYS 49 Cb 0.00 -2.11 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 5mba s LYS 49 CO 0.00 -0.39 0.99 -1.54 -0.92 0.00 0.00 175.35 173.49 5mba s SER 50 N -3.02 4.83 0.24 2.83 1.04 -1.26 -4.87 113.70 113.48 5mba s SER 50 Ca 0.60 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.32 5mba s SER 50 Cb -0.11 -1.02 0.24 0.00 0.10 0.00 0.00 66.02 65.23 5mba s SER 50 CO 0.33 -1.57 1.91 0.58 0.98 0.00 0.00 173.24 175.47 5mba h VAL 51 N -0.53 1.22 -0.72 5.02 2.07 -1.97 -0.78 116.25 120.56 5mba h VAL 51 Ca -0.44 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 66.67 5mba h VAL 51 Cb 1.31 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 5mba h VAL 51 CO 0.58 0.22 0.47 0.00 0.02 0.00 0.00 177.57 178.87 5mba h ALA 52 N 1.35 0.92 -0.72 1.67 0.00 -1.98 0.41 119.26 120.90 5mba h ALA 52 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 5mba h ALA 52 Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 5mba h ALA 52 CO -0.09 0.34 0.40 -0.44 0.00 0.00 0.00 179.25 179.47 5mba h ASP 53 N 0.98 0.89 -0.24 0.00 3.32 -1.78 -1.03 116.42 118.56 5mba h ASP 53 Ca 0.26 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 5mba h ASP 53 Cb -0.11 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 5mba h ASP 53 CO -0.06 0.72 0.02 0.40 -1.72 0.00 0.00 179.24 178.61 5mba h ILE 54 N 0.98 1.24 -0.79 0.35 2.04 -0.42 -2.15 117.51 118.77 5mba h ILE 54 Ca 0.25 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.34 5mba h ILE 54 Cb 0.02 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 5mba h ILE 54 CO -0.04 0.26 0.52 0.11 0.00 0.00 0.00 178.15 178.99 5mba h LYS 55 N 0.20 0.89 0.00 2.37 1.57 0.19 -1.42 116.57 120.38 5mba h LYS 55 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 5mba h LYS 55 Cb 0.36 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.47 5mba h LYS 55 CO 0.01 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 5mba n ALA 56 N -2.42 2.39 -2.23 3.86 0.00 -0.43 -4.88 120.51 116.80 5mba n ALA 56 Ca 0.11 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 5mba n ALA 56 Cb 0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 5mba n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 5mba s SER 57 N -2.74 7.14 0.00 0.00 0.15 -0.53 -4.89 113.70 112.83 5mba s SER 57 Ca 0.22 2.08 0.18 0.00 0.70 0.00 0.00 55.95 59.13 5mba s SER 57 Cb 0.19 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.80 5mba s SER 57 CO 0.48 -0.37 1.55 -0.81 1.20 0.00 0.00 173.24 175.29 5mba n PRO 58 N 3.13 0.23 0.02 5.44 -0.04 -1.26 -2.31 135.00 140.20 5mba n PRO 58 Ca 0.06 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 5mba n PRO 58 Cb 0.46 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 5mba n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 5mba n LYS 59 N -1.31 0.16 -0.14 0.54 5.02 -1.26 -4.47 118.16 116.70 5mba n LYS 59 Ca 0.08 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 5mba n LYS 59 Cb 0.15 -1.57 0.04 0.00 -0.02 0.00 0.00 35.03 33.63 5mba n LYS 59 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 5mba h LEU 60 N 0.00 0.27 -0.84 -0.35 5.85 -1.74 -2.91 115.31 115.59 5mba h LEU 60 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 5mba h LEU 60 Cb 0.63 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 5mba h LEU 60 CO 0.00 0.20 0.32 -0.09 -0.34 0.00 0.00 178.44 178.52 5mba h ARG 61 N 0.40 1.17 -0.35 1.25 9.65 -1.79 -0.70 114.38 124.01 5mba h ARG 61 Ca 0.20 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 5mba h ARG 61 Cb 0.13 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 5mba h ARG 61 CO -0.16 0.94 0.22 -0.44 2.80 0.00 0.00 179.97 183.33 5mba h ASP 62 N 1.14 0.38 0.36 -3.80 5.19 -1.79 -1.22 116.42 116.68 5mba h ASP 62 Ca 0.26 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 5mba h ASP 62 Cb 0.20 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.63 5mba h ASP 62 CO -0.02 0.27 -0.17 0.58 -3.12 0.00 0.00 179.24 176.78 5mba h VAL 63 N 0.45 0.64 -0.13 -1.35 2.07 -1.34 -2.49 116.25 114.11 5mba h VAL 63 Ca 0.13 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 5mba h VAL 63 Cb -0.04 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 5mba h VAL 63 CO -0.04 0.08 -0.10 0.77 0.02 0.00 0.00 177.57 178.30 5mba h SER 64 N -0.72 0.18 -0.30 0.57 4.64 -1.16 -2.43 113.55 114.33 5mba h SER 64 Ca -0.05 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.06 5mba h SER 64 Cb 0.50 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 5mba h SER 64 CO 0.08 0.31 -0.51 0.77 -0.87 0.00 0.00 176.83 176.61 5mba h SER 65 N 0.19 0.97 0.00 4.97 4.64 -1.20 -1.60 113.55 121.53 5mba h SER 65 Ca 0.04 -0.52 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 5mba h SER 65 Cb 0.30 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 5mba h SER 65 CO 0.02 1.31 -0.20 0.08 -0.87 0.00 0.00 176.83 177.16 5mba h ARG 66 N 0.67 0.36 -0.06 4.77 0.11 -1.18 -0.55 114.38 118.50 5mba h ARG 66 Ca 0.02 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 5mba h ARG 66 Cb 1.12 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 5mba h ARG 66 CO 0.12 0.55 0.01 0.82 0.10 0.00 0.00 179.97 181.56 5mba h ILE 67 N 0.33 1.23 -0.04 0.08 2.04 -1.36 -2.10 117.51 117.68 5mba h ILE 67 Ca 0.06 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 5mba h ILE 67 Cb 0.55 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 5mba h ILE 67 CO 0.04 0.19 -0.45 -0.26 0.00 0.00 0.00 178.15 177.66 5mba h PHE 68 N -0.16 0.11 -0.64 1.37 -1.00 -1.02 -1.69 116.94 113.90 5mba h PHE 68 Ca 0.02 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 5mba h PHE 68 Cb 0.30 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 5mba h PHE 68 CO 0.02 0.53 0.11 1.15 -1.61 0.00 0.00 178.31 178.52 5mba h THR 69 N 0.08 1.26 -0.04 -1.55 2.02 -1.04 -1.24 112.91 112.39 5mba h THR 69 Ca 0.00 -1.01 -0.19 0.00 0.77 0.00 0.00 66.41 65.99 5mba h THR 69 Cb 0.84 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 5mba h THR 69 CO 0.06 0.38 -0.77 -0.09 0.37 0.00 0.00 175.52 175.47 5mba h ARG 70 N 0.98 0.31 -0.44 6.66 9.65 -1.04 -2.98 114.38 127.52 5mba h ARG 70 Ca 0.20 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.73 5mba h ARG 70 Cb 0.43 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 5mba h ARG 70 CO 0.01 0.94 -0.02 1.25 2.80 0.00 0.00 179.97 184.95 5mba h LEU 71 N 0.20 0.70 -0.69 3.80 6.46 -1.15 -1.04 115.31 123.59 5mba h LEU 71 Ca -0.04 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 5mba h LEU 71 Cb 1.36 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.07 5mba h LEU 71 CO 0.13 0.78 0.35 -1.13 -0.62 0.00 0.00 178.44 177.95 5mba h ASN 72 N 0.68 0.89 -0.11 1.25 -0.73 -1.19 -0.12 115.58 116.25 5mba h ASN 72 Ca 0.13 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 5mba h ASN 72 Cb 0.45 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 5mba h ASN 72 CO 0.02 0.76 -0.12 -0.33 -0.37 0.00 0.00 177.43 177.39 5mba h GLU 73 N 0.96 0.46 -0.41 6.67 4.39 -1.19 0.06 114.58 125.51 5mba h GLU 73 Ca 0.24 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 5mba h GLU 73 Cb 0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 5mba h GLU 73 CO -0.03 0.58 -0.27 0.74 -1.16 0.00 0.00 179.01 178.87 5mba h PHE 74 N 0.42 1.07 -0.53 4.33 0.04 -0.65 -1.74 116.94 119.89 5mba h PHE 74 Ca 0.08 -0.29 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 5mba h PHE 74 Cb 0.47 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 5mba h PHE 74 CO 0.01 1.09 0.28 0.28 -0.60 0.00 0.00 178.31 179.38 5mba h VAL 75 N 0.74 1.18 -0.28 -0.55 2.07 -0.70 -1.42 116.25 117.30 5mba h VAL 75 Ca 0.08 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 5mba h VAL 75 Cb 0.85 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 5mba h VAL 75 CO 0.07 0.20 -0.00 0.78 0.02 0.00 0.00 177.57 178.64 5mba h ASN 76 N 0.71 0.39 -0.24 0.57 2.35 -0.83 -3.20 115.58 115.33 5mba h ASN 76 Ca 0.19 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 5mba h ASN 76 Cb 0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.33 5mba h ASN 76 CO -0.03 0.46 0.00 0.59 -1.65 0.00 0.00 177.43 176.80 5mba n ASN 77 N -4.31 2.76 -0.40 5.81 3.02 -0.67 -4.72 115.26 116.75 5mba n ASN 77 Ca 0.01 -1.81 0.33 0.00 -0.03 0.00 0.00 54.58 53.07 5mba n ASN 77 Cb 0.22 -0.16 0.63 0.00 -0.61 0.00 0.00 39.78 39.87 5mba n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5mba h ALA 78 N 2.86 2.71 -0.42 5.41 0.00 -1.26 0.08 119.26 128.64 5mba h ALA 78 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 5mba h ALA 78 Cb 0.72 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 5mba h ALA 78 CO 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 179.25 178.05 5mba n ALA 79 N -2.58 2.44 -3.93 0.00 0.00 -1.26 -1.52 120.51 113.66 5mba n ALA 79 Ca 0.31 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 5mba n ALA 79 Cb 1.24 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 5mba n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 5mba s ASN 80 N -1.15 4.87 0.48 0.00 3.84 0.01 -4.82 114.94 118.16 5mba s ASN 80 Ca 0.33 -2.27 0.22 0.00 0.21 0.00 0.00 52.86 51.36 5mba s ASN 80 Cb 0.18 -1.70 1.25 0.00 -0.55 0.00 0.00 41.25 40.43 5mba s ASN 80 CO 0.24 -0.40 1.91 0.00 -2.79 0.00 0.00 177.10 176.06 5mba h ALA 81 N 7.55 2.41 0.12 1.71 0.00 -1.83 -0.87 119.26 128.35 5mba h ALA 81 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 5mba h ALA 81 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 5mba h ALA 81 CO 0.60 -0.64 -0.06 0.78 0.00 0.00 0.00 179.25 179.93 5mba h GLY 82 N 0.21 -0.16 1.38 0.00 0.00 -1.93 -0.63 103.07 101.94 5mba h GLY 82 Ca 0.39 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 5mba h GLY 82 CO -0.08 -0.06 -0.05 0.50 0.00 0.00 0.00 176.54 176.85 5mba h LYS 83 N -0.47 0.75 -0.64 4.80 1.57 -1.68 -2.56 116.57 118.34 5mba h LYS 83 Ca -0.02 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 5mba h LYS 83 Cb 0.38 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 5mba h LYS 83 CO 0.03 0.80 0.42 0.52 -0.57 0.00 0.00 179.45 180.65 5mba h MET 84 N 0.70 0.84 -0.26 3.15 2.86 -1.13 -0.04 114.93 121.06 5mba h MET 84 Ca 0.13 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 5mba h MET 84 Cb 0.50 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 5mba h MET 84 CO 0.03 0.56 -0.46 0.77 1.06 0.00 0.00 176.91 178.86 5mba h SER 85 N 0.87 -1.51 -0.28 1.22 0.02 -0.67 0.58 113.55 113.77 5mba h SER 85 Ca 0.24 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 5mba h SER 85 Cb -0.10 0.61 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 5mba h SER 85 CO -0.05 -0.36 0.19 0.00 -1.14 0.00 0.00 176.83 175.46 5mba h ALA 86 N -0.34 0.36 -0.45 3.77 0.00 -1.52 -1.43 119.26 119.64 5mba h ALA 86 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 5mba h ALA 86 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 5mba h ALA 86 CO -0.45 -0.17 0.27 0.52 0.00 0.00 0.00 179.25 179.42 5mba h MET 87 N 0.38 0.60 -0.41 0.00 2.86 -0.39 -1.67 114.93 116.30 5mba h MET 87 Ca 0.10 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 5mba h MET 87 Cb -0.04 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 5mba h MET 87 CO -0.02 0.44 0.13 -0.07 1.06 0.00 0.00 176.91 178.45 5mba h LEU 88 N 0.59 0.60 0.49 1.22 3.38 0.27 -0.78 115.31 121.08 5mba h LEU 88 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 5mba h LEU 88 Cb -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 5mba h LEU 88 CO -0.03 0.65 -0.41 0.28 0.09 0.00 0.00 178.44 179.02 5mba h SER 89 N 0.52 -1.09 -0.78 -0.43 0.02 -1.00 0.22 113.55 111.00 5mba h SER 89 Ca 0.13 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 5mba h SER 89 Cb 0.26 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 5mba h SER 89 CO -0.00 -0.58 0.50 -0.61 -1.14 0.00 0.00 176.83 174.99 5mba h GLN 90 N -0.89 0.93 -0.07 3.45 5.75 -1.30 -0.62 115.11 122.36 5mba h GLN 90 Ca -0.05 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 5mba h GLN 90 Cb 0.77 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 5mba h GLN 90 CO -0.02 0.62 0.02 0.35 -2.65 0.00 0.00 178.83 177.14 5mba h PHE 91 N 0.96 0.12 -0.03 3.99 3.57 -0.87 -2.11 116.94 122.57 5mba h PHE 91 Ca 0.32 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.84 5mba h PHE 91 Cb 0.04 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 5mba h PHE 91 CO -0.03 0.30 -0.20 0.00 -2.23 0.00 0.00 178.31 176.14 5mba h ALA 92 N 0.81 -0.23 -0.55 2.41 0.00 -0.67 -0.90 119.26 120.13 5mba h ALA 92 Ca 0.02 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 5mba h ALA 92 Cb 0.24 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 5mba h ALA 92 CO 0.00 -0.69 -0.27 0.87 0.00 0.00 0.00 179.25 179.16 5mba h LYS 93 N -0.31 -0.13 0.07 0.00 1.57 -1.05 0.38 116.57 117.10 5mba h LYS 93 Ca 0.07 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 5mba h LYS 93 Cb 0.40 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 5mba h LYS 93 CO -0.21 -0.09 -0.06 0.93 -0.57 0.00 0.00 179.45 179.45 5mba h GLU 94 N -0.14 -0.14 -0.40 3.15 5.08 -1.15 -3.04 114.58 117.95 5mba h GLU 94 Ca 0.24 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 5mba h GLU 94 Cb 0.52 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 5mba h GLU 94 CO -0.63 -0.09 -0.13 0.45 -1.00 0.00 0.00 179.01 177.61 5mba h HIS 95 N -0.14 0.80 -0.82 4.33 3.86 0.02 -3.10 115.15 120.10 5mba h HIS 95 Ca -0.00 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 5mba h HIS 95 Cb 0.13 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 5mba h HIS 95 CO -0.09 0.82 0.51 0.28 0.86 0.00 0.00 177.93 180.30 5mba h VAL 96 N 0.65 1.22 0.00 2.45 2.07 -0.97 -1.60 116.25 120.07 5mba h VAL 96 Ca 0.11 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 5mba h VAL 96 Cb 0.60 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 5mba h VAL 96 CO 0.04 0.23 -0.02 1.23 0.02 0.00 0.00 177.57 179.06 5mba h GLY 97 N 1.11 0.00 -0.25 2.17 0.00 -1.45 0.31 103.07 104.96 5mba h GLY 97 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 5mba h GLY 97 CO -0.06 0.00 -0.29 0.69 0.00 0.00 0.00 176.54 176.88 5mba n PHE 98 N -3.59 0.00 -0.19 5.60 3.72 -0.68 -4.94 117.46 117.38 5mba n PHE 98 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 5mba n PHE 98 Cb 0.11 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 5mba n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5mba n GLY 99 N 1.35 0.75 3.79 1.37 0.00 0.11 -5.03 105.19 107.53 5mba n GLY 99 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 5mba n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5mba s VAL 100 N -2.19 4.88 0.24 1.61 1.01 -0.73 -4.99 120.40 120.22 5mba s VAL 100 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.13 5mba s VAL 100 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 5mba s VAL 100 CO 0.00 0.50 0.10 0.61 0.00 0.00 0.00 175.10 176.31 5mba n GLY 101 N 2.09 3.57 0.37 4.51 0.00 -1.26 -3.78 105.19 110.68 5mba n GLY 101 Ca -0.10 -2.00 0.18 0.00 0.00 0.00 0.00 46.02 44.10 5mba n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 5mba h SER 102 N 0.99 0.07 -0.51 1.61 4.64 -1.86 -1.95 113.55 116.54 5mba h SER 102 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 5mba h SER 102 Cb 0.72 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 5mba h SER 102 CO 0.28 0.04 0.27 0.00 -0.87 0.00 0.00 176.83 176.56 5mba h ALA 103 N 1.74 1.48 0.00 5.18 0.00 -1.96 0.27 119.26 125.97 5mba h ALA 103 Ca 0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 5mba h ALA 103 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 5mba h ALA 103 CO -0.02 0.42 -0.41 1.96 0.00 0.00 0.00 179.25 181.20 5mba h GLN 104 N 0.74 0.00 0.00 0.00 7.50 -1.76 -2.21 115.11 119.38 5mba h GLN 104 Ca 0.19 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.19 5mba h GLN 104 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 5mba h GLN 104 CO -0.03 0.41 -0.71 0.74 -1.50 0.00 0.00 178.83 177.74 5mba h PHE 105 N 0.00 0.00 -0.38 2.96 0.04 -1.38 -2.37 116.94 115.82 5mba h PHE 105 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 5mba h PHE 105 Cb 0.75 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 5mba h PHE 105 CO 0.00 0.71 -0.09 0.93 -0.60 0.00 0.00 178.31 179.26 5mba h GLU 106 N 0.00 0.65 -0.10 1.51 5.08 -0.45 -0.93 114.58 120.34 5mba h GLU 106 Ca -0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 5mba h GLU 106 Cb 1.50 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 5mba h GLU 106 CO 0.09 0.73 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.86 5mba h ASN 107 N 0.60 0.23 -0.15 1.42 -0.26 -1.19 -1.43 115.58 114.79 5mba h ASN 107 Ca 0.11 -0.44 0.05 0.00 -0.56 0.00 0.00 56.30 55.46 5mba h ASN 107 Cb 0.52 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.65 5mba h ASN 107 CO 0.03 0.62 -0.24 0.58 -1.06 0.00 0.00 177.43 177.36 5mba h VAL 108 N -0.16 0.42 -1.00 2.81 2.07 -1.21 -0.96 116.25 118.22 5mba h VAL 108 Ca 0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.75 5mba h VAL 108 Cb 0.54 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 5mba h VAL 108 CO 0.02 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.14 5mba h ARG 109 N -0.29 0.62 -0.18 1.57 2.43 -1.09 0.42 114.38 117.87 5mba h ARG 109 Ca 0.11 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 5mba h ARG 109 Cb 0.45 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 5mba h ARG 109 CO -0.32 0.41 -0.36 0.77 -1.51 0.00 0.00 179.97 178.97 5mba h SER 110 N 0.64 0.38 0.00 -3.80 0.02 -0.05 -3.24 113.55 107.50 5mba h SER 110 Ca 0.58 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 5mba h SER 110 Cb 1.07 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.51 5mba h SER 110 CO -0.35 0.72 -1.04 0.80 -1.14 0.00 0.00 176.83 175.81 5mba n MET 111 N -4.06 0.13 0.37 3.45 0.00 -0.40 -4.66 117.12 111.95 5mba n MET 111 Ca -0.01 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.70 57.49 5mba n MET 111 Cb 0.46 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 32.10 5mba n MET 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 5mba h PHE 112 N 0.00 -1.33 -0.99 1.12 3.57 -1.00 -2.21 116.94 116.10 5mba h PHE 112 Ca 0.00 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 5mba h PHE 112 Cb 0.52 0.49 -0.10 0.00 2.79 0.00 0.00 35.95 39.66 5mba h PHE 112 CO 0.00 -0.70 0.61 -1.35 -2.23 0.00 0.00 178.31 174.64 5mba h PRO 113 N -1.11 0.71 -0.02 6.41 0.11 -1.83 0.13 132.00 136.40 5mba h PRO 113 Ca -0.09 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 5mba h PRO 113 Cb 0.92 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 5mba h PRO 113 CO 0.04 0.47 -0.53 0.78 -0.21 0.00 0.00 178.00 178.54 5mba h GLY 114 N 0.73 0.05 0.70 -0.55 0.00 -1.82 -2.01 103.07 100.16 5mba h GLY 114 Ca 0.56 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 5mba h GLY 114 CO -0.35 0.05 -0.18 -2.75 0.00 0.00 0.00 176.54 173.31 5mba h PHE 115 N 0.03 0.41 0.02 5.60 3.57 -0.15 -2.61 116.94 123.81 5mba h PHE 115 Ca -0.00 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.37 5mba h PHE 115 Cb 0.95 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 5mba h PHE 115 CO 0.00 0.79 -0.10 0.28 -2.23 0.00 0.00 178.31 177.05 5mba h VAL 116 N -0.09 0.74 -0.17 1.41 2.07 -1.18 -1.64 116.25 117.39 5mba h VAL 116 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 5mba h VAL 116 Cb 0.75 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 5mba h VAL 116 CO 0.04 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.83 5mba h ALA 117 N 0.76 1.76 0.00 1.67 0.00 -1.41 0.53 119.26 122.57 5mba h ALA 117 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 5mba h ALA 117 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 5mba h ALA 117 CO -0.09 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 5mba n SER 118 N -3.75 0.53 -0.10 0.00 3.41 -0.62 -3.20 113.62 109.89 5mba n SER 118 Ca 0.01 0.60 -0.24 0.00 -0.26 0.00 0.00 58.87 58.98 5mba n SER 118 Cb 0.31 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.43 5mba n SER 118 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 5mba n VAL 119 N -2.05 1.57 -3.61 -3.33 0.31 0.18 -5.03 118.33 106.37 5mba n VAL 119 Ca 0.04 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 5mba n VAL 119 Cb 0.29 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 5mba n VAL 119 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 5mba s ALA 120 N -2.45 -1.91 0.11 3.52 0.00 -0.79 -5.03 121.76 115.21 5mba s ALA 120 Ca -0.32 1.76 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 5mba s ALA 120 Cb 0.09 -1.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 5mba s ALA 120 CO 0.59 -0.28 1.86 0.00 0.00 0.00 0.00 175.76 177.92 5mba n ALA 121 N 1.73 2.10 -1.67 0.00 0.00 -1.26 -3.96 120.51 117.44 5mba n ALA 121 Ca -0.13 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 5mba n ALA 121 Cb 0.56 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 17.43 5mba n ALA 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 5mba s PRO 122 N 2.99 3.26 0.70 0.00 0.04 -1.26 -5.01 135.00 135.72 5mba s PRO 122 Ca 0.83 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 5mba s PRO 122 Cb -0.48 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.05 5mba s PRO 122 CO 0.38 -0.84 1.14 -1.25 0.04 0.00 0.00 177.00 176.46 5mba s PRO 123 N -4.67 2.49 0.48 0.56 0.04 -1.26 -4.90 135.00 127.74 5mba s PRO 123 Ca 0.59 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 5mba s PRO 123 Cb -0.14 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 5mba s PRO 123 CO 0.47 -1.50 1.29 0.00 0.04 0.00 0.00 177.00 177.29 5mba n ALA 124 N -2.67 1.37 0.00 8.56 0.00 -1.26 -1.34 120.51 125.18 5mba n ALA 124 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.75 5mba n ALA 124 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 5mba n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5mba n GLY 125 N 0.81 3.08 0.23 0.00 0.00 -1.26 -4.88 105.19 103.17 5mba n GLY 125 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 5mba n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5mba h ALA 126 N 0.00 0.58 -0.66 4.61 0.00 -1.50 -2.60 119.26 119.69 5mba h ALA 126 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.73 5mba h ALA 126 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 5mba h ALA 126 CO 0.00 0.34 0.36 -0.44 0.00 0.00 0.00 179.25 179.51 5mba h ASP 127 N 0.60 0.52 -0.34 0.00 3.32 -1.90 -0.88 116.42 117.73 5mba h ASP 127 Ca 0.13 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 5mba h ASP 127 Cb 0.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 5mba h ASP 127 CO 0.02 0.33 0.08 0.00 -1.72 0.00 0.00 179.24 177.95 5mba h ALA 128 N 1.36 1.35 -0.63 3.45 0.00 -1.93 -2.08 119.26 120.76 5mba h ALA 128 Ca 0.30 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 5mba h ALA 128 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 5mba h ALA 128 CO -0.19 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.64 5mba h ALA 129 N 1.47 0.84 -0.57 0.00 0.00 -0.81 -1.39 119.26 118.80 5mba h ALA 129 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 5mba h ALA 129 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 5mba h ALA 129 CO 0.00 0.59 -0.02 -1.49 0.00 0.00 0.00 179.25 178.32 5mba h TRP 130 N 0.95 1.12 -0.08 0.00 4.06 -0.92 0.28 115.95 121.37 5mba h TRP 130 Ca 0.19 -0.20 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 5mba h TRP 130 Cb 0.41 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 5mba h TRP 130 CO 0.03 1.01 -0.30 1.79 -3.56 0.00 0.00 178.44 177.41 5mba h THR 131 N 0.91 1.25 -0.22 1.49 1.35 -1.23 0.15 112.91 116.61 5mba h THR 131 Ca 0.16 -1.17 -0.18 0.00 -0.55 0.00 0.00 66.41 64.66 5mba h THR 131 Cb 0.58 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 5mba h THR 131 CO 0.03 0.35 -0.57 0.50 -0.25 0.00 0.00 175.52 175.58 5mba h LYS 132 N 0.13 0.78 -0.21 4.72 3.64 -0.73 -1.02 116.57 123.88 5mba h LYS 132 Ca 0.02 -0.54 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 5mba h LYS 132 Cb 0.61 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 5mba h LYS 132 CO 0.04 1.16 0.11 1.25 -2.27 0.00 0.00 179.45 179.75 5mba h LEU 133 N 0.52 0.26 -1.52 5.20 5.85 -0.61 -1.08 115.31 123.93 5mba h LEU 133 Ca -0.01 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 5mba h LEU 133 Cb 1.19 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 5mba h LEU 133 CO 0.12 0.27 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.00 5mba h PHE 134 N 0.23 0.00 -0.80 1.25 0.04 -0.71 -1.74 116.94 115.21 5mba h PHE 134 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 5mba h PHE 134 Cb 0.07 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 5mba h PHE 134 CO -0.04 0.24 0.42 0.78 -0.60 0.00 0.00 178.31 179.11 5mba h GLY 135 N 1.12 1.21 1.85 -1.45 0.00 -0.28 -1.11 103.07 104.41 5mba h GLY 135 Ca -0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 5mba h GLY 135 CO 0.03 0.55 -0.34 1.41 0.00 0.00 0.00 176.54 178.18 5mba h LEU 136 N 1.12 0.17 -0.18 3.11 3.38 -0.32 -2.05 115.31 120.55 5mba h LEU 136 Ca 0.28 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 5mba h LEU 136 Cb 0.07 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.78 5mba h LEU 136 CO -0.04 0.51 -0.67 0.40 0.09 0.00 0.00 178.44 178.73 5mba h ILE 137 N 0.15 1.29 -0.56 1.22 2.04 -1.11 -2.50 117.51 118.04 5mba h ILE 137 Ca 0.02 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.00 5mba h ILE 137 Cb 0.68 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 5mba h ILE 137 CO 0.05 0.60 0.37 0.40 0.00 0.00 0.00 178.15 179.57 5mba h ILE 138 N 0.49 1.14 -0.66 -0.67 2.04 -1.03 -1.87 117.51 116.95 5mba h ILE 138 Ca -0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 5mba h ILE 138 Cb 1.30 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 5mba h ILE 138 CO 0.14 0.14 0.33 0.44 0.00 0.00 0.00 178.15 179.20 5mba h ASP 139 N 0.76 0.86 -0.53 1.72 3.32 -1.35 -2.22 116.42 118.98 5mba h ASP 139 Ca 0.21 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.14 5mba h ASP 139 Cb -0.09 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 5mba h ASP 139 CO -0.05 0.74 0.34 0.00 -1.72 0.00 0.00 179.24 178.56 5mba h ALA 140 N 1.15 0.68 -0.73 3.45 0.00 -0.98 -1.55 119.26 121.28 5mba h ALA 140 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 5mba h ALA 140 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 5mba h ALA 140 CO -0.03 0.09 0.48 -0.07 0.00 0.00 0.00 179.25 179.71 5mba h LEU 141 N 0.69 0.82 -0.33 0.00 3.38 -1.09 0.13 115.31 118.91 5mba h LEU 141 Ca 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 5mba h LEU 141 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 5mba h LEU 141 CO -0.06 0.59 0.16 0.11 0.09 0.00 0.00 178.44 179.32 5mba h LYS 142 N 0.97 0.48 0.00 1.13 1.57 -1.04 -1.28 116.57 118.40 5mba h LYS 142 Ca 0.27 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 5mba h LYS 142 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 5mba h LYS 142 CO -0.07 0.44 -0.24 0.00 -0.57 0.00 0.00 179.45 179.01 5mba h ALA 143 N 1.01 1.39 0.00 3.86 0.00 -0.64 -1.54 119.26 123.34 5mba h ALA 143 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 5mba h ALA 143 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 5mba h ALA 143 CO -0.01 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.54 5mba n ALA 144 N -2.40 1.77 0.00 0.00 0.00 0.41 -4.86 120.51 115.43 5mba n ALA 144 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 5mba n ALA 144 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 5mba n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5mba n GLY 145 N 0.21 1.20 0.00 0.00 0.00 -0.58 -4.97 105.19 101.04 5mba n GLY 145 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 5mba n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32