#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfb n ASN 19 N 0.00 2.52 0.01 1.67 3.02 -1.26 -4.72 115.26 116.50 2pfb n ASN 19 Ca 0.00 -1.88 0.10 0.00 -0.03 0.00 0.00 54.58 52.77 2pfb n ASN 19 Cb 0.00 -0.14 0.52 0.00 -0.61 0.00 0.00 39.78 39.55 2pfb n ASN 19 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2pfb h GLN 20 N 1.57 0.33 -0.26 3.52 1.08 -2.03 -1.69 115.11 117.63 2pfb h GLN 20 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2pfb h GLN 20 Cb 0.62 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2pfb h GLN 20 CO 0.00 0.22 -0.03 1.25 -0.95 0.00 0.00 178.83 179.31 2pfb h LEU 21 N 0.34 0.48 -1.04 1.46 5.85 -1.94 0.25 115.31 120.71 2pfb h LEU 21 Ca 0.19 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 2pfb h LEU 21 Cb 0.33 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2pfb h LEU 21 CO -0.04 0.70 -0.06 0.00 -0.34 0.00 0.00 178.44 178.70 2pfb h PHE 23 N 0.58 0.87 -0.66 0.00 0.04 -1.21 -2.38 116.94 114.18 2pfb h PHE 23 Ca 0.11 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.58 2pfb h PHE 23 Cb 0.46 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2pfb h PHE 23 CO 0.02 1.03 0.26 0.00 -0.60 0.00 0.00 178.31 179.01 2pfb h ALA 24 N 0.70 1.22 -0.17 2.45 0.00 -0.62 -1.10 119.26 121.74 2pfb h ALA 24 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pfb h ALA 24 Cb 0.89 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2pfb h ALA 24 CO 0.08 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.24 2pfb h LEU 25 N 0.95 0.22 -0.23 0.00 5.85 -0.67 0.14 115.31 121.56 2pfb h LEU 25 Ca 0.22 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2pfb h LEU 25 Cb 0.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2pfb h LEU 25 CO -0.02 0.24 0.11 0.22 -0.34 0.00 0.00 178.44 178.65 2pfb h TYR 26 N 0.18 0.33 -0.82 1.25 3.20 -1.15 -1.96 116.97 118.00 2pfb h TYR 26 Ca 0.06 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2pfb h TYR 26 Cb 0.07 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2pfb h TYR 26 CO -0.04 0.32 0.51 1.03 -1.64 0.00 0.00 178.16 178.33 2pfb h SER 27 N 0.24 0.97 -0.51 -2.11 0.87 -1.06 -0.87 113.55 111.08 2pfb h SER 27 Ca 0.08 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2pfb h SER 27 Cb 0.11 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2pfb h SER 27 CO -0.01 0.74 0.12 0.00 -0.53 0.00 0.00 176.83 177.15 2pfb h ALA 28 N 1.27 0.67 -0.60 6.23 0.00 -0.82 -0.75 119.26 125.26 2pfb h ALA 28 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2pfb h ALA 28 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2pfb h ALA 28 CO -0.06 0.36 0.11 -0.97 0.00 0.00 0.00 179.25 178.69 2pfb h ASN 29 N 0.70 0.90 -0.63 0.00 -0.73 -1.06 -1.89 115.58 112.87 2pfb h ASN 29 Ca 0.16 -0.19 -0.08 0.00 1.87 0.00 0.00 56.30 58.05 2pfb h ASN 29 Cb 0.34 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 2pfb h ASN 29 CO 0.00 0.90 0.07 0.25 -0.37 0.00 0.00 177.43 178.29 2pfb h LEU 30 N 0.90 1.03 -1.18 0.34 5.85 -0.89 -2.17 115.31 119.20 2pfb h LEU 30 Ca 0.19 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2pfb h LEU 30 Cb 0.38 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2pfb h LEU 30 CO 0.01 1.05 0.09 0.00 -0.34 0.00 0.00 178.44 179.24 2pfb h ALA 31 N 1.02 1.34 -0.34 1.25 0.00 -0.79 -0.37 119.26 121.37 2pfb h ALA 31 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2pfb h ALA 31 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pfb h ALA 31 CO 0.02 0.47 -0.16 0.52 0.00 0.00 0.00 179.25 180.10 2pfb h MET 32 N 0.64 0.71 -0.68 0.00 2.86 -1.08 -0.64 114.93 116.73 2pfb h MET 32 Ca 0.14 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2pfb h MET 32 Cb 0.27 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2pfb h MET 32 CO 0.00 0.91 0.38 0.45 1.06 0.00 0.00 176.91 179.70 2pfb h HIS 33 N 0.48 0.93 -0.58 -0.22 -0.00 -0.98 -2.15 115.15 112.63 2pfb h HIS 33 Ca 0.08 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.33 2pfb h HIS 33 Cb 0.69 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 2pfb h HIS 33 CO 0.06 0.66 0.00 -0.22 -0.00 0.00 0.00 177.93 178.43 2pfb h LYS 34 N 0.93 1.00 -0.93 2.45 3.64 -0.94 -0.28 116.57 122.44 2pfb h LYS 34 Ca 0.24 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2pfb h LYS 34 Cb 0.03 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2pfb h LYS 34 CO -0.04 0.98 0.56 1.25 -2.27 0.00 0.00 179.45 179.94 2pfb h LEU 35 N 0.92 1.12 -2.27 5.20 5.85 -0.73 -3.03 115.31 122.37 2pfb h LEU 35 Ca 0.17 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2pfb h LEU 35 Cb 0.53 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2pfb h LEU 35 CO 0.03 0.86 0.00 -1.22 -0.34 0.00 0.00 178.44 177.76 2pfb n TYR 36 N -4.36 0.42 -0.14 1.25 4.02 -0.84 -4.63 117.16 112.87 2pfb n TYR 36 Ca 0.10 -0.21 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 2pfb n TYR 36 Cb 0.06 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.41 2pfb n TYR 36 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2pfb h ARG 37 N 4.53 0.02 -0.38 -0.72 2.43 -0.91 -0.63 114.38 118.71 2pfb h ARG 37 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pfb h ARG 37 Cb 0.99 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2pfb h ARG 37 CO 0.00 0.01 0.24 0.78 -1.51 0.00 0.00 179.97 179.49 2pfb h GLY 38 N 0.02 0.55 0.96 2.80 0.00 -1.82 -1.85 103.07 103.74 2pfb h GLY 38 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2pfb h GLY 38 CO -0.46 0.22 0.19 -2.00 0.00 0.00 0.00 176.54 174.49 2pfb h LEU 39 N 0.51 0.45 -1.05 3.11 5.85 -1.77 -2.41 115.31 120.00 2pfb h LEU 39 Ca 0.14 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pfb h LEU 39 Cb -0.01 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2pfb h LEU 39 CO -0.03 0.41 0.64 -0.07 -0.34 0.00 0.00 178.44 179.05 2pfb h LEU 40 N 0.45 1.10 -0.47 2.25 3.38 -0.95 -1.37 115.31 119.70 2pfb h LEU 40 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pfb h LEU 40 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2pfb h LEU 40 CO -0.02 0.79 0.20 0.11 0.09 0.00 0.00 178.44 179.61 2pfb h LYS 41 N 1.30 0.69 0.00 1.13 6.56 -1.12 0.12 116.57 125.25 2pfb h LYS 41 Ca 0.36 -0.12 -0.04 0.00 -1.06 0.00 0.00 60.65 59.79 2pfb h LYS 41 Cb -0.12 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.42 2pfb h LYS 41 CO -0.09 0.61 -0.21 0.00 -2.06 0.00 0.00 179.45 177.71 2pfb h ALA 42 N 1.05 1.32 -0.00 3.86 0.00 -0.93 -2.34 119.26 122.22 2pfb h ALA 42 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pfb h ALA 42 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pfb h ALA 42 CO -0.02 0.26 -0.59 1.28 0.00 0.00 0.00 179.25 180.19 2pfb n LEU 43 N -3.80 0.99 -3.48 0.00 4.77 -0.57 -4.97 117.00 109.94 2pfb n LEU 43 Ca -0.02 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 2pfb n LEU 43 Cb 0.31 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2pfb n LEU 43 CO 0.33 0.21 0.20 -0.67 -1.33 0.00 0.00 177.39 176.14 2pfb n ASP 44 N -1.09 -4.97 -4.27 -1.43 2.03 0.34 -5.02 116.55 102.13 2pfb n ASP 44 Ca 0.07 -0.55 -0.18 0.00 0.52 0.00 0.00 54.79 54.65 2pfb n ASP 44 Cb 0.36 -4.96 -0.11 0.00 -0.72 0.00 0.00 41.12 35.68 2pfb n ASP 44 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pfb s LEU 45 N -6.89 2.44 0.58 -2.67 1.43 -0.61 -5.04 118.68 107.91 2pfb s LEU 45 Ca 0.40 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2pfb s LEU 45 Cb -0.17 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.49 2pfb s LEU 45 CO 0.71 -0.15 0.83 0.42 0.23 0.00 0.00 176.35 178.40 2pfb s THR 46 N -2.34 2.95 0.11 5.49 -4.23 -1.26 -4.53 115.64 111.84 2pfb s THR 46 Ca 0.12 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.95 2pfb s THR 46 Cb -0.04 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.57 2pfb s THR 46 CO 0.04 -0.13 1.67 0.22 -0.54 0.00 0.00 174.62 175.88 2pfb h TYR 47 N -0.07 -0.41 -0.71 3.99 3.20 -1.98 -1.63 116.97 119.36 2pfb h TYR 47 Ca -0.44 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2pfb h TYR 47 Cb 1.29 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.70 2pfb h TYR 47 CO 0.39 -0.23 0.43 -1.35 -1.64 0.00 0.00 178.16 175.76 2pfb h PRO 48 N -0.28 0.95 -0.63 1.82 0.11 -2.00 -1.59 132.00 130.38 2pfb h PRO 48 Ca 0.04 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2pfb h PRO 48 Cb 0.33 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 2pfb h PRO 48 CO -0.13 0.66 0.14 1.96 -0.21 0.00 0.00 178.00 180.42 2pfb h GLN 49 N 0.97 1.00 -0.54 1.05 4.20 -1.86 -2.30 115.11 117.63 2pfb h GLN 49 Ca 0.26 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2pfb h GLN 49 Cb -0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2pfb h GLN 49 CO -0.05 0.90 0.07 -0.92 -0.67 0.00 0.00 178.83 178.16 2pfb h TYR 50 N 0.95 0.90 -0.86 2.96 5.03 -0.45 -2.20 116.97 123.31 2pfb h TYR 50 Ca 0.20 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2pfb h TYR 50 Cb 0.36 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.34 2pfb h TYR 50 CO 0.02 0.79 0.56 -0.07 -1.32 0.00 0.00 178.16 178.14 2pfb h LEU 51 N 0.81 1.01 -0.68 2.82 3.38 -0.78 -0.42 115.31 121.46 2pfb h LEU 51 Ca 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2pfb h LEU 51 Cb 0.39 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2pfb h LEU 51 CO 0.01 0.74 0.24 0.58 0.09 0.00 0.00 178.44 180.10 2pfb h VAL 52 N 1.18 1.25 -0.72 1.22 2.07 -1.06 -2.47 116.25 117.72 2pfb h VAL 52 Ca 0.31 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2pfb h VAL 52 Cb -0.11 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2pfb h VAL 52 CO -0.07 0.32 0.34 0.24 0.02 0.00 0.00 177.57 178.42 2pfb h MET 53 N 0.97 1.04 -0.83 1.57 2.86 -0.74 -2.11 114.93 117.70 2pfb h MET 53 Ca 0.22 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 2pfb h MET 53 Cb 0.25 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 2pfb h MET 53 CO -0.01 0.83 0.50 -0.07 1.06 0.00 0.00 176.91 179.22 2pfb h LEU 54 N 1.01 0.78 -0.41 1.22 3.38 -0.74 0.23 115.31 120.78 2pfb h LEU 54 Ca 0.25 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2pfb h LEU 54 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pfb h LEU 54 CO -0.03 0.50 0.21 0.58 0.09 0.00 0.00 178.44 179.79 2pfb h VAL 55 N 0.91 1.17 -0.17 1.22 2.07 -1.09 -1.84 116.25 118.52 2pfb h VAL 55 Ca 0.36 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 2pfb h VAL 55 Cb 0.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2pfb h VAL 55 CO -0.18 0.18 -0.43 -0.07 0.02 0.00 0.00 177.57 177.09 2pfb h LEU 56 N 0.53 0.43 -1.29 2.57 3.38 -0.70 -2.36 115.31 117.86 2pfb h LEU 56 Ca 0.14 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2pfb h LEU 56 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pfb h LEU 56 CO -0.02 0.81 -0.33 -0.50 0.09 0.00 0.00 178.44 178.49 2pfb h TRP 57 N 0.33 0.00 -0.15 1.13 6.55 -0.37 -2.65 115.95 120.79 2pfb h TRP 57 Ca 0.03 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.77 2pfb h TRP 57 Cb 0.89 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 2pfb h TRP 57 CO 0.03 0.33 -0.30 1.49 -1.05 0.00 0.00 178.44 178.94 2pfb h GLU 58 N 0.00 0.46 -2.11 0.49 4.81 -0.96 -3.45 114.58 113.82 2pfb h GLU 58 Ca -0.00 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2pfb h GLU 58 Cb 0.67 0.04 -0.22 0.00 0.63 0.00 0.00 28.75 29.87 2pfb h GLU 58 CO 0.04 0.90 -0.10 -0.08 -0.73 0.00 0.00 179.01 179.04 2pfb s THR 59 N -4.01 -0.45 0.79 0.32 -1.32 -0.92 -5.12 115.64 104.92 2pfb s THR 59 Ca -0.13 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.26 2pfb s THR 59 Cb 0.06 -0.93 0.09 0.00 -1.51 0.00 0.00 72.50 70.20 2pfb s THR 59 CO 0.79 0.01 1.14 -0.62 -2.21 0.00 0.00 174.62 173.74 2pfb s ASP 60 N 2.20 4.46 -1.04 8.08 2.15 -1.06 -4.29 116.67 127.17 2pfb s ASP 60 Ca -0.08 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.41 2pfb s ASP 60 Cb -0.09 -1.12 -0.03 0.00 -0.30 0.00 0.00 42.92 41.39 2pfb s ASP 60 CO -0.18 -1.90 0.82 -0.62 -0.17 0.00 0.00 175.17 173.11 2pfb n GLU 61 N -3.24 -1.58 -4.19 4.34 1.02 -1.07 -5.01 120.64 110.90 2pfb n GLU 61 Ca 0.09 0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 57.68 2pfb n GLU 61 Cb 0.61 -4.79 -0.09 0.00 -0.02 0.00 0.00 31.44 27.14 2pfb n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2pfb s ARG 62 N -5.02 2.28 0.58 3.49 0.52 -0.78 -4.83 118.95 115.19 2pfb s ARG 62 Ca 0.39 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 54.45 2pfb s ARG 62 Cb -0.10 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 2pfb s ARG 62 CO 0.81 0.51 1.03 -1.54 0.02 0.00 0.00 175.30 176.13 2pfb s SER 63 N -2.37 6.06 0.38 0.23 1.04 -1.26 -0.34 113.70 117.44 2pfb s SER 63 Ca 0.24 1.70 0.07 0.00 0.48 0.00 0.00 55.95 58.43 2pfb s SER 63 Cb -0.11 -2.52 0.80 0.00 0.10 0.00 0.00 66.02 64.29 2pfb s SER 63 CO 0.16 -0.98 2.00 0.58 0.98 0.00 0.00 173.24 175.98 2pfb h VAL 64 N 0.47 1.05 -0.54 5.02 2.07 -1.64 -0.95 116.25 121.73 2pfb h VAL 64 Ca -0.46 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2pfb h VAL 64 Cb 1.21 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2pfb h VAL 64 CO 0.59 0.12 0.17 -1.28 0.02 0.00 0.00 177.57 177.19 2pfb h SER 65 N 0.67 0.79 -0.33 0.57 0.87 -1.92 -1.40 113.55 112.79 2pfb h SER 65 Ca 0.25 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2pfb h SER 65 Cb 0.15 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2pfb h SER 65 CO -0.07 0.78 0.12 -0.33 -0.53 0.00 0.00 176.83 176.80 2pfb h GLU 66 N 0.75 0.50 -0.98 2.24 5.08 -1.59 -1.73 114.58 118.85 2pfb h GLU 66 Ca 0.18 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2pfb h GLU 66 Cb 0.27 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2pfb h GLU 66 CO -0.01 0.52 0.64 0.82 -1.00 0.00 0.00 179.01 179.98 2pfb h ILE 67 N 0.39 1.17 -0.57 3.13 2.04 -1.08 -1.36 117.51 121.23 2pfb h ILE 67 Ca 0.11 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 2pfb h ILE 67 Cb 0.21 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 2pfb h ILE 67 CO -0.01 0.23 0.05 1.23 0.00 0.00 0.00 178.15 179.65 2pfb h GLY 68 N 1.24 1.04 1.42 5.37 0.00 -0.99 -1.79 103.07 109.36 2pfb h GLY 68 Ca 0.39 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2pfb h GLY 68 CO -0.12 0.67 -0.05 0.83 0.00 0.00 0.00 176.54 177.87 2pfb h GLU 69 N 0.85 0.70 -0.12 4.80 5.08 -0.86 0.33 114.58 125.37 2pfb h GLU 69 Ca 0.17 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2pfb h GLU 69 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2pfb h GLU 69 CO 0.02 0.75 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.25 2pfb h ARG 70 N 0.65 0.28 -0.01 2.33 9.65 -1.03 -3.11 114.38 123.13 2pfb h ARG 70 Ca 0.12 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2pfb h ARG 70 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2pfb h ARG 70 CO 0.02 0.67 -0.52 1.28 2.80 0.00 0.00 179.97 184.22 2pfb n LEU 71 N -4.00 1.81 -2.65 3.80 4.77 -0.69 -4.97 117.00 115.06 2pfb n LEU 71 Ca -0.02 -0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 55.10 2pfb n LEU 71 Cb 0.50 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2pfb n LEU 71 CO 0.42 0.34 0.02 -1.22 -1.33 0.00 0.00 177.39 175.63 2pfb n TYR 72 N -0.27 -1.75 -4.40 -1.77 4.02 0.10 -5.01 117.16 108.07 2pfb n TYR 72 Ca 0.09 0.49 -0.28 0.00 -0.01 0.00 0.00 57.90 58.19 2pfb n TYR 72 Cb 0.44 -4.05 -0.12 0.00 -0.02 0.00 0.00 39.34 35.59 2pfb n TYR 72 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2pfb s LEU 73 N -5.82 2.37 0.50 7.72 1.43 -0.24 -5.02 118.68 119.61 2pfb s LEU 73 Ca 0.28 -0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2pfb s LEU 73 Cb -0.12 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2pfb s LEU 73 CO 0.35 0.15 0.78 1.51 0.23 0.00 0.00 176.35 179.37 2pfb s ASP 74 N -2.32 5.99 0.36 2.29 1.47 -1.26 -4.41 116.67 118.79 2pfb s ASP 74 Ca 0.17 0.72 0.09 0.00 1.18 0.00 0.00 52.55 54.70 2pfb s ASP 74 Cb -0.09 -1.94 0.82 0.00 -0.34 0.00 0.00 42.92 41.37 2pfb s ASP 74 CO 0.08 -0.72 1.89 -1.28 0.68 0.00 0.00 175.17 175.81 2pfb h SER 75 N 0.17 0.63 -0.63 2.11 0.87 -1.97 -1.61 113.55 113.12 2pfb h SER 75 Ca -0.47 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.14 2pfb h SER 75 Cb 1.23 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2pfb h SER 75 CO 0.61 0.34 0.41 0.00 -0.53 0.00 0.00 176.83 177.66 2pfb h ALA 76 N 1.60 0.81 -0.12 6.23 0.00 -2.01 0.83 119.26 126.60 2pfb h ALA 76 Ca 0.42 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 2pfb h ALA 76 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2pfb h ALA 76 CO -0.18 0.21 -0.59 1.15 0.00 0.00 0.00 179.25 179.84 2pfb h THR 77 N 0.83 1.35 0.00 0.00 2.02 -1.72 -3.26 112.91 112.15 2pfb h THR 77 Ca 0.24 -1.90 -0.16 0.00 0.77 0.00 0.00 66.41 65.36 2pfb h THR 77 Cb -0.07 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2pfb h THR 77 CO -0.06 0.57 -0.76 0.25 0.37 0.00 0.00 175.52 175.88 2pfb h LEU 78 N 0.30 0.00 -0.42 2.58 5.85 -0.82 -3.36 115.31 119.43 2pfb h LEU 78 Ca -0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2pfb h LEU 78 Cb 1.11 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2pfb h LEU 78 CO 0.10 0.76 0.10 0.74 -0.34 0.00 0.00 178.44 179.80 2pfb h THR 79 N 0.00 0.80 -0.46 1.05 2.02 -0.89 -1.42 112.91 114.01 2pfb h THR 79 Ca -0.01 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2pfb h THR 79 Cb 1.37 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2pfb h THR 79 CO 0.10 0.04 0.00 -0.65 0.37 0.00 0.00 175.52 175.39 2pfb h PRO 80 N 0.24 0.76 -0.28 6.66 0.11 -1.75 -1.77 132.00 135.96 2pfb h PRO 80 Ca 0.21 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 2pfb h PRO 80 Cb 0.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2pfb h PRO 80 CO -0.26 0.76 0.06 -0.07 -0.21 0.00 0.00 178.00 178.29 2pfb h LEU 81 N 0.71 0.44 -1.15 2.35 3.38 -1.59 -2.49 115.31 116.95 2pfb h LEU 81 Ca 0.14 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2pfb h LEU 81 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2pfb h LEU 81 CO 0.02 0.57 -0.08 -0.07 0.09 0.00 0.00 178.44 178.96 2pfb h LEU 82 N 0.29 0.47 -0.69 1.67 3.38 -1.12 -1.87 115.31 117.45 2pfb h LEU 82 Ca 0.09 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2pfb h LEU 82 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2pfb h LEU 82 CO 0.00 0.60 0.12 0.11 0.09 0.00 0.00 178.44 179.37 2pfb h LYS 83 N 0.47 1.13 -0.15 1.13 1.57 -1.12 -0.22 116.57 119.38 2pfb h LYS 83 Ca 0.09 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 2pfb h LYS 83 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2pfb h LYS 83 CO 0.02 1.02 -0.57 0.00 -0.57 0.00 0.00 179.45 179.36 2pfb h ARG 84 N 1.06 0.45 -0.27 3.15 3.08 -1.14 -1.33 114.38 119.38 2pfb h ARG 84 Ca 0.21 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 2pfb h ARG 84 Cb 0.43 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2pfb h ARG 84 CO 0.01 0.90 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.39 2pfb h LEU 85 N 0.35 0.63 -0.49 3.04 3.38 -1.14 -2.04 115.31 119.04 2pfb h LEU 85 Ca 0.00 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2pfb h LEU 85 Cb 1.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2pfb h LEU 85 CO 0.10 0.93 -0.03 1.56 0.09 0.00 0.00 178.44 181.09 2pfb h GLN 86 N 0.51 0.88 -0.19 1.13 4.20 -0.84 -1.35 115.11 119.45 2pfb h GLN 86 Ca 0.05 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2pfb h GLN 86 Cb 0.85 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2pfb h GLN 86 CO 0.07 0.94 0.01 0.00 -0.67 0.00 0.00 178.83 179.18 2pfb h ALA 87 N 0.92 1.66 0.00 3.87 0.00 -1.04 0.12 119.26 124.79 2pfb h ALA 87 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pfb h ALA 87 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pfb h ALA 87 CO 0.03 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2pfb n ALA 88 N -2.50 2.59 -1.45 0.00 0.00 -0.79 -4.89 120.51 113.48 2pfb n ALA 88 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2pfb n ALA 88 Cb 0.17 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 2pfb n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfb n GLY 89 N 1.06 0.97 0.08 0.00 0.00 0.40 -4.92 105.19 102.78 2pfb n GLY 89 Ca 0.20 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2pfb n GLY 89 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pfb h LEU 90 N 0.00 0.00 -8.28 0.99 3.38 -1.44 -3.40 115.31 106.56 2pfb h LEU 90 Ca -0.22 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2pfb h LEU 90 Cb 0.75 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.35 2pfb h LEU 90 CO 0.30 0.88 -0.65 0.68 0.09 0.00 0.00 178.44 179.75 2pfb s VAL 91 N -2.70 0.18 0.15 1.22 -7.23 -1.22 -1.79 120.40 109.01 2pfb s VAL 91 Ca -0.03 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.42 2pfb s VAL 91 Cb 0.08 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2pfb s VAL 91 CO 0.82 -0.80 -0.20 0.42 -0.31 0.00 0.00 175.10 175.03 2pfb s THR 92 N -3.96 1.90 -0.11 5.32 -4.23 0.22 -4.33 115.64 110.45 2pfb s THR 92 Ca 0.13 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2pfb s THR 92 Cb 0.08 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2pfb s THR 92 CO -0.06 -0.20 -0.24 -0.60 -0.54 0.00 0.00 174.62 172.98 2pfb s ARG 93 N -2.52 3.05 0.01 3.99 3.52 -1.26 -1.90 118.95 123.83 2pfb s ARG 93 Ca 0.14 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 2pfb s ARG 93 Cb -0.07 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2pfb s ARG 93 CO 0.07 0.14 -0.01 0.99 -0.81 0.00 0.00 175.30 175.68 2pfb s THR 94 N 0.44 0.08 0.30 4.11 2.01 -0.59 -4.98 115.64 117.00 2pfb s THR 94 Ca -0.17 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 2pfb s THR 94 Cb -0.17 -0.20 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 2pfb s THR 94 CO 0.07 -0.34 0.68 0.00 -0.69 0.00 0.00 174.62 174.34 2pfb s ARG 95 N -1.01 3.94 0.00 4.92 3.03 -1.26 0.22 118.95 128.78 2pfb s ARG 95 Ca -0.11 0.55 0.00 0.00 2.03 0.00 0.00 55.73 58.19 2pfb s ARG 95 Cb -0.07 -2.49 0.00 0.00 -1.03 0.00 0.00 34.95 31.36 2pfb s ARG 95 CO -0.01 0.20 0.00 0.00 -1.13 0.00 0.00 175.30 174.36 2pfb n GLN 102 N -0.33 0.00 -4.66 3.89 10.64 -1.26 -4.60 117.38 121.06 2pfb n GLN 102 Ca 0.03 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.86 2pfb n GLN 102 Cb 0.53 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.77 2pfb n GLN 102 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2pfb s VAL 103 N 0.00 3.29 -0.13 -0.39 1.01 -1.26 -5.05 120.40 117.86 2pfb s VAL 103 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2pfb s VAL 103 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2pfb s VAL 103 CO 0.00 0.51 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 2pfb s ILE 104 N 0.36 4.02 -0.20 2.22 1.09 0.13 -1.49 121.20 127.33 2pfb s ILE 104 Ca -0.09 -0.33 -0.07 0.00 -1.10 0.00 0.00 60.65 59.07 2pfb s ILE 104 Cb -0.15 -2.73 -0.03 0.00 -1.06 0.00 0.00 42.46 38.48 2pfb s ILE 104 CO 0.05 0.53 0.05 -0.63 -0.10 0.00 0.00 174.94 174.83 2pfb s ILE 105 N -0.08 4.41 0.03 2.92 -1.09 0.54 -1.54 121.20 126.39 2pfb s ILE 105 Ca 0.02 -0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 2pfb s ILE 105 Cb -0.13 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.72 2pfb s ILE 105 CO 0.02 0.42 -0.16 0.00 -1.23 0.00 0.00 174.94 173.99 2pfb s ALA 106 N 0.89 1.30 0.51 9.38 0.00 -0.80 -1.87 121.76 131.17 2pfb s ALA 106 Ca 0.03 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 2pfb s ALA 106 Cb -0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 2pfb s ALA 106 CO 0.02 0.27 1.10 -0.51 0.00 0.00 0.00 175.76 176.65 2pfb s LEU 107 N -0.99 3.83 0.57 0.00 1.43 -1.26 -0.61 118.68 121.64 2pfb s LEU 107 Ca 0.04 2.11 0.09 0.00 -1.03 0.00 0.00 54.13 55.34 2pfb s LEU 107 Cb -0.08 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.72 2pfb s LEU 107 CO 0.01 -1.02 0.79 0.42 0.23 0.00 0.00 176.35 176.78 2pfb s THR 108 N -1.80 2.19 0.30 5.49 -4.23 -0.74 -4.82 115.64 112.03 2pfb s THR 108 Ca 0.69 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2pfb s THR 108 Cb -0.22 -2.20 0.27 0.00 1.34 0.00 0.00 72.50 71.69 2pfb s THR 108 CO 0.26 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.20 2pfb h GLU 109 N 0.18 1.08 -0.49 3.99 4.81 -1.89 -0.24 114.58 122.02 2pfb h GLU 109 Ca -0.30 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 2pfb h GLU 109 Cb 1.29 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2pfb h GLU 109 CO 0.41 0.71 -0.11 1.15 -0.73 0.00 0.00 179.01 180.44 2pfb h THR 110 N 1.11 1.26 -0.60 0.32 2.02 -1.89 -1.28 112.91 113.86 2pfb h THR 110 Ca 0.34 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 2pfb h THR 110 Cb -0.02 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2pfb h THR 110 CO -0.09 0.42 -0.01 1.23 0.37 0.00 0.00 175.52 177.44 2pfb h GLY 111 N 0.96 1.13 1.25 2.16 0.00 -1.35 -1.28 103.07 105.95 2pfb h GLY 111 Ca 0.13 -0.83 -0.16 0.00 0.00 0.00 0.00 47.33 46.47 2pfb h GLY 111 CO 0.04 0.76 -0.42 3.21 0.00 0.00 0.00 176.54 180.14 2pfb h ARG 112 N 0.96 0.82 0.00 4.80 3.08 -0.94 -3.04 114.38 120.05 2pfb h ARG 112 Ca 0.17 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2pfb h ARG 112 Cb 0.56 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2pfb h ARG 112 CO 0.03 1.08 -0.31 0.00 -1.07 0.00 0.00 179.97 179.70 2pfb h ALA 113 N 0.86 1.36 -0.29 0.04 0.00 -1.04 -2.86 119.26 117.33 2pfb h ALA 113 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2pfb h ALA 113 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2pfb h ALA 113 CO 0.10 0.38 0.08 1.25 0.00 0.00 0.00 179.25 181.06 2pfb h LEU 114 N 0.00 0.37 -0.74 0.00 5.85 -1.11 -2.63 115.31 117.05 2pfb h LEU 114 Ca -0.00 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.83 2pfb h LEU 114 Cb 0.59 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 2pfb h LEU 114 CO 0.04 0.37 0.22 -0.09 -0.34 0.00 0.00 178.44 178.64 2pfb h ARG 115 N 0.41 0.31 -0.91 1.25 2.43 -1.57 0.30 114.38 116.60 2pfb h ARG 115 Ca 0.10 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 2pfb h ARG 115 Cb 0.14 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 2pfb h ARG 115 CO -0.01 0.20 0.55 0.77 -1.51 0.00 0.00 179.97 179.98 2pfb h SER 116 N 0.32 0.80 1.48 -3.80 0.02 -1.64 -1.95 113.55 108.77 2pfb h SER 116 Ca 0.42 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2pfb h SER 116 Cb 0.69 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2pfb h SER 116 CO -0.48 0.44 0.00 0.07 -1.14 0.00 0.00 176.83 175.72 2pfb h LYS 117 N 0.89 0.00 -0.00 3.45 2.10 -1.03 -2.29 116.57 119.69 2pfb h LYS 117 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2pfb h LYS 117 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2pfb h LYS 117 CO -0.26 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 177.15 2pfb n ALA 118 N -2.01 2.56 0.00 0.07 0.00 -0.75 -5.01 120.51 115.37 2pfb n ALA 118 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2pfb n ALA 118 Cb 0.41 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2pfb n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfb n GLY 119 N 1.31 -1.01 3.76 0.00 0.00 -0.86 -4.79 105.19 103.60 2pfb n GLY 119 Ca 0.13 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2pfb n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfb s ALA 120 N -2.00 3.38 -0.71 4.61 0.00 -1.26 -4.28 121.76 121.49 2pfb s ALA 120 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 2pfb s ALA 120 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 2pfb s ALA 120 CO 0.00 0.21 0.34 1.33 0.00 0.00 0.00 175.76 177.64 2pfb n VAL 121 N 1.76 -1.37 -0.26 0.00 0.24 -1.26 -4.79 118.33 112.64 2pfb n VAL 121 Ca -0.03 -0.33 0.02 0.00 -2.04 0.00 0.00 64.34 61.96 2pfb n VAL 121 Cb 0.48 -1.17 0.15 0.00 -1.47 0.00 0.00 33.84 31.83 2pfb n VAL 121 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2pfb h PRO 122 N -0.19 0.63 0.00 7.34 0.11 -1.87 -0.32 132.00 137.70 2pfb h PRO 122 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pfb h PRO 122 Cb 0.79 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2pfb h PRO 122 CO 0.30 0.42 0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 2pfb n GLU 123 N -4.83 0.16 -0.06 1.05 0.00 -1.26 -2.19 120.64 113.50 2pfb n GLU 123 Ca 0.12 0.34 -0.13 0.00 0.00 0.00 0.00 57.16 57.50 2pfb n GLU 123 Cb 0.29 -1.77 -0.14 0.00 0.00 0.00 0.00 31.44 29.81 2pfb n GLU 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2pfb n GLN 124 N -2.06 0.68 0.00 3.44 1.13 -0.21 -4.42 117.38 115.94 2pfb n GLN 124 Ca 0.03 0.18 0.11 0.00 -1.94 0.00 0.00 57.00 55.38 2pfb n GLN 124 Cb 0.25 -1.66 0.08 0.00 0.11 0.00 0.00 30.24 29.02 2pfb n GLN 124 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2pfb n VAL 125 N -3.08 0.00 0.04 5.09 0.24 -0.73 -4.40 118.33 115.49 2pfb n VAL 125 Ca -0.29 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 2pfb n VAL 125 Cb 1.07 0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 34.30 2pfb n VAL 125 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2pfb h PHE 126 N 1.31 -0.56 0.00 6.34 3.04 -1.65 0.13 116.94 125.56 2pfb h PHE 126 Ca 0.00 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 2pfb h PHE 126 Cb 0.61 0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.34 2pfb h PHE 126 CO 0.00 -0.22 -0.82 0.00 -2.02 0.00 0.00 178.31 175.25 2pfb h ALA 128 N 1.17 1.48 0.00 0.00 0.00 -1.73 0.37 119.26 120.55 2pfb h ALA 128 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pfb h ALA 128 Cb 1.46 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pfb h ALA 128 CO 0.11 0.39 0.00 0.77 0.00 0.00 0.00 179.25 180.52 2pfb h SER 129 N 1.07 0.00 0.55 0.00 0.02 -0.65 -2.17 113.55 112.37 2pfb h SER 129 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2pfb h SER 129 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2pfb h SER 129 CO -0.14 0.00 -0.48 0.00 -1.14 0.00 0.00 176.83 175.07 2pfb n ALA 130 N -1.92 3.44 -0.22 3.77 0.00 0.11 -4.28 120.51 121.40 2pfb n ALA 130 Ca 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 53.44 53.33 2pfb n ALA 130 Cb 0.20 -1.14 0.56 0.00 0.00 0.00 0.00 19.45 19.07 2pfb n ALA 130 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2pfb h SER 131 N 0.00 0.30 -0.70 0.00 0.02 -1.23 -1.65 113.55 110.29 2pfb h SER 131 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2pfb h SER 131 Cb 0.51 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2pfb h SER 131 CO 0.00 0.12 0.00 -1.54 -1.14 0.00 0.00 176.83 174.27 2pfb n SER 132 N -4.46 3.92 -4.67 3.07 3.41 -1.26 -4.88 113.62 108.75 2pfb n SER 132 Ca 0.19 -2.02 -0.43 0.00 -0.26 0.00 0.00 58.87 56.35 2pfb n SER 132 Cb 0.76 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 2pfb n SER 132 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2pfb s LEU 133 N -1.04 4.23 0.29 1.04 2.96 -0.62 -4.92 118.68 120.62 2pfb s LEU 133 Ca 0.47 1.73 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 2pfb s LEU 133 Cb 0.25 -3.55 0.53 0.00 0.50 0.00 0.00 46.19 43.92 2pfb s LEU 133 CO 0.32 -0.66 1.89 -0.78 -1.32 0.00 0.00 176.35 175.79 2pfb h ASP 134 N 7.78 0.93 0.11 3.68 3.58 -1.92 -1.48 116.42 129.10 2pfb h ASP 134 Ca -0.30 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2pfb h ASP 134 Cb 1.13 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2pfb h ASP 134 CO 0.92 0.57 -0.13 -0.33 -2.88 0.00 0.00 179.24 177.39 2pfb h GLU 135 N 1.04 0.05 -0.02 0.28 3.07 -1.93 -1.87 114.58 115.20 2pfb h GLU 135 Ca 0.42 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 59.06 2pfb h GLU 135 Cb 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2pfb h GLU 135 CO -0.18 0.19 -0.90 1.25 -1.40 0.00 0.00 179.01 177.97 2pfb h LEU 136 N 0.05 0.52 -0.85 1.33 6.46 -1.61 -2.40 115.31 118.82 2pfb h LEU 136 Ca 0.01 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.30 2pfb h LEU 136 Cb 0.27 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2pfb h LEU 136 CO 0.02 1.19 0.11 -0.09 -0.62 0.00 0.00 178.44 179.05 2pfb h ARG 137 N 0.24 0.97 -0.45 1.25 1.12 -0.99 -0.95 114.38 115.56 2pfb h ARG 137 Ca -0.07 -0.23 -0.07 0.00 -1.11 0.00 0.00 59.98 58.50 2pfb h ARG 137 Cb 1.53 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.34 2pfb h ARG 137 CO 0.16 0.89 0.02 0.37 -3.11 0.00 0.00 179.97 178.30 2pfb h GLN 138 N 0.92 0.79 -0.32 0.20 5.75 -1.31 -1.96 115.11 119.17 2pfb h GLN 138 Ca 0.19 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2pfb h GLN 138 Cb 0.38 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2pfb h GLN 138 CO 0.01 0.83 0.15 1.25 -2.65 0.00 0.00 178.83 178.42 2pfb h LEU 139 N 0.64 0.42 -1.50 -2.39 6.46 -1.12 -2.52 115.31 115.31 2pfb h LEU 139 Ca 0.13 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2pfb h LEU 139 Cb 0.46 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2pfb h LEU 139 CO 0.02 0.44 0.08 0.11 -0.62 0.00 0.00 178.44 178.47 2pfb h LYS 140 N 0.38 0.41 -0.68 1.25 1.57 -1.08 0.12 116.57 118.54 2pfb h LYS 140 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2pfb h LYS 140 Cb 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2pfb h LYS 140 CO -0.01 0.38 0.27 1.96 -0.57 0.00 0.00 179.45 181.48 2pfb h GLN 141 N 0.41 0.99 0.05 3.15 4.20 -0.94 -1.96 115.11 121.02 2pfb h GLN 141 Ca 0.10 -0.16 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 2pfb h GLN 141 Cb 0.14 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2pfb h GLN 141 CO -0.01 0.81 -1.15 0.93 -0.67 0.00 0.00 178.83 178.74 2pfb h GLU 142 N 0.98 0.11 -0.00 1.46 5.08 -1.04 -3.23 114.58 117.93 2pfb h GLU 142 Ca 0.23 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2pfb h GLU 142 Cb 0.18 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2pfb h GLU 142 CO -0.02 1.05 -0.28 1.25 -1.00 0.00 0.00 179.01 180.01 2pfb h LEU 143 N 0.03 0.00 -5.91 1.33 5.85 -0.71 -3.22 115.31 112.67 2pfb h LEU 143 Ca -0.08 -0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.90 2pfb h LEU 143 Cb 1.87 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.79 2pfb h LEU 143 CO 0.15 0.28 2.51 -1.84 -0.34 0.00 0.00 178.44 179.20 2pfb n GLU 144 N -4.20 3.95 0.00 1.25 0.28 -0.76 -2.94 120.64 118.22 2pfb n GLU 144 Ca -0.02 -3.26 0.00 0.00 -0.16 0.00 0.00 57.16 53.72 2pfb n GLU 144 Cb 0.33 -2.82 0.00 0.00 1.43 0.00 0.00 31.44 30.38 2pfb n GLU 144 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2pfb n LYS 145 N 3.17 0.32 0.00 3.44 5.02 -1.22 -4.99 118.16 123.90 2pfb n LYS 145 Ca 0.55 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.97 2pfb n LYS 145 Cb 0.30 -0.03 0.43 0.00 -0.02 0.00 0.00 35.03 35.71 2pfb n LYS 145 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16