#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fam s LEU 2 N 0.00 3.42 0.72 1.04 1.02 -0.20 -5.01 118.68 119.67 2fam s LEU 2 Ca 0.00 0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.28 2fam s LEU 2 Cb 0.00 -3.08 0.05 0.00 0.02 0.00 0.00 46.19 43.17 2fam s LEU 2 CO 0.00 -0.96 1.06 -0.94 0.02 0.00 0.00 176.35 175.54 2fam s SER 3 N -4.32 4.99 0.34 2.29 1.04 -1.26 -4.31 113.70 112.47 2fam s SER 3 Ca 0.53 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.74 2fam s SER 3 Cb -0.10 -1.44 0.60 0.00 0.10 0.00 0.00 66.02 65.18 2fam s SER 3 CO 0.39 -1.55 1.93 0.00 0.98 0.00 0.00 173.24 174.99 2fam h ALA 4 N -0.68 1.43 -0.46 5.32 0.00 -1.96 0.34 119.26 123.25 2fam h ALA 4 Ca -0.45 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2fam h ALA 4 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2fam h ALA 4 CO 0.63 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 180.12 2fam h ALA 5 N 1.53 0.64 -0.33 0.00 0.00 -1.99 -1.37 119.26 117.74 2fam h ALA 5 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2fam h ALA 5 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2fam h ALA 5 CO -0.01 0.61 -0.23 0.93 0.00 0.00 0.00 179.25 180.54 2fam h GLU 6 N 0.78 0.74 -0.46 0.00 5.08 -1.75 -2.34 114.58 116.64 2fam h GLU 6 Ca 0.11 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2fam h GLU 6 Cb 0.76 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2fam h GLU 6 CO 0.06 0.97 0.11 0.00 -1.00 0.00 0.00 179.01 179.15 2fam h ALA 7 N 0.75 1.33 -0.59 3.43 0.00 -0.30 -0.86 119.26 123.02 2fam h ALA 7 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2fam h ALA 7 Cb 0.79 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2fam h ALA 7 CO 0.06 0.48 0.37 -0.44 0.00 0.00 0.00 179.25 179.72 2fam h ASP 8 N 0.67 0.62 -0.16 0.00 3.32 -0.99 0.28 116.42 120.16 2fam h ASP 8 Ca 0.15 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2fam h ASP 8 Cb 0.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2fam h ASP 8 CO -0.00 0.44 0.06 -0.07 -1.72 0.00 0.00 179.24 177.95 2fam h LEU 9 N 0.74 0.21 -0.86 1.55 4.07 -0.98 -0.76 115.31 119.28 2fam h LEU 9 Ca 0.23 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.06 2fam h LEU 9 Cb -0.01 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 2fam h LEU 9 CO -0.09 0.32 0.56 0.00 -1.08 0.00 0.00 178.44 178.15 2fam h ALA 10 N 0.90 1.13 -0.72 1.53 0.00 -0.71 -2.01 119.26 119.39 2fam h ALA 10 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2fam h ALA 10 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2fam h ALA 10 CO -0.00 0.41 0.23 0.78 0.00 0.00 0.00 179.25 180.67 2fam h GLY 11 N 1.09 1.18 1.27 0.00 0.00 -0.65 -1.20 103.07 104.76 2fam h GLY 11 Ca 0.34 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2fam h GLY 11 CO -0.11 0.64 0.00 0.50 0.00 0.00 0.00 176.54 177.57 2fam h LYS 12 N 1.06 0.89 0.00 4.80 1.57 -0.66 -1.70 116.57 122.53 2fam h LYS 12 Ca 0.23 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2fam h LYS 12 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2fam h LYS 12 CO -0.01 0.88 -0.56 0.66 -0.57 0.00 0.00 179.45 179.86 2fam h SER 13 N 0.82 0.00 0.33 0.86 4.64 -0.99 -3.32 113.55 115.89 2fam h SER 13 Ca 0.16 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.15 2fam h SER 13 Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.60 2fam h SER 13 CO 0.02 0.56 -1.47 -0.25 -0.87 0.00 0.00 176.83 174.82 2fam h TRP 14 N 0.00 0.85 -0.59 4.77 2.91 -0.91 -3.39 115.95 119.59 2fam h TRP 14 Ca -0.01 -0.62 0.11 0.00 1.13 0.00 0.00 58.89 59.50 2fam h TRP 14 Cb 1.24 -0.03 -0.12 0.00 -0.51 0.00 0.00 29.16 29.74 2fam h TRP 14 CO 0.00 1.52 -0.27 0.00 -1.03 0.00 0.00 178.44 178.66 2fam h ALA 15 N 0.24 0.11 -0.62 2.65 0.00 -1.41 0.29 119.26 120.52 2fam h ALA 15 Ca -0.24 0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2fam h ALA 15 Cb 2.13 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 20.55 2fam h ALA 15 CO 0.25 -0.59 0.42 -1.00 0.00 0.00 0.00 179.25 178.33 2fam h PRO 16 N -0.12 0.41 -0.08 0.00 0.13 -1.77 0.21 132.00 130.78 2fam h PRO 16 Ca 0.26 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.27 2fam h PRO 16 Cb 0.53 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2fam h PRO 16 CO -0.66 0.27 -0.31 0.28 -0.23 0.00 0.00 178.00 177.35 2fam h VAL 17 N 0.42 1.41 0.00 1.56 2.07 -0.72 -3.18 116.25 117.81 2fam h VAL 17 Ca 0.29 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 2fam h VAL 17 Cb 0.58 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2fam h VAL 17 CO -0.08 0.49 -0.13 0.15 0.02 0.00 0.00 177.57 178.01 2fam h PHE 18 N -0.12 0.00 -0.21 1.57 3.57 -0.59 -2.89 116.94 118.28 2fam h PHE 18 Ca -0.02 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2fam h PHE 18 Cb 0.94 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2fam h PHE 18 CO 0.12 0.13 0.16 0.00 -2.23 0.00 0.00 178.31 176.50 2fam h ALA 19 N 1.87 2.08 -2.21 2.41 0.00 -0.94 -1.97 119.26 120.50 2fam h ALA 19 Ca -0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2fam h ALA 19 Cb 0.47 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.86 2fam h ALA 19 CO 0.02 -0.27 -0.68 0.09 0.00 0.00 0.00 179.25 178.40 2fam n ASN 20 N -4.28 3.64 -0.14 0.00 5.03 -1.09 -4.94 115.26 113.48 2fam n ASN 20 Ca 0.02 -3.47 -0.03 0.00 0.87 0.00 0.00 54.58 51.97 2fam n ASN 20 Cb 0.30 -0.62 0.05 0.00 -1.02 0.00 0.00 39.78 38.49 2fam n ASN 20 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2fam h LYS 21 N 3.60 0.11 0.77 3.52 3.64 -1.47 0.21 116.57 126.95 2fam h LYS 21 Ca 0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2fam h LYS 21 Cb 0.63 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2fam h LYS 21 CO 0.78 0.07 -0.37 -0.91 -2.27 0.00 0.00 179.45 176.75 2fam h ASN 22 N 0.11 -0.89 -0.46 4.20 -0.26 -1.92 0.24 115.58 116.60 2fam h ASN 22 Ca 0.23 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.95 2fam h ASN 22 Cb 0.33 0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 2fam h ASN 22 CO -0.38 -0.63 0.11 0.00 -1.06 0.00 0.00 177.43 175.47 2fam h ALA 23 N -0.80 0.61 -0.03 -0.83 0.00 -1.95 -2.81 119.26 113.46 2fam h ALA 23 Ca -0.10 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2fam h ALA 23 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2fam h ALA 23 CO 0.17 0.31 -0.68 -0.91 0.00 0.00 0.00 179.25 178.13 2fam h ASN 24 N 0.63 0.18 -0.20 0.00 -0.26 -0.95 -2.42 115.58 112.56 2fam h ASN 24 Ca 0.15 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2fam h ASN 24 Cb 0.33 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 2fam h ASN 24 CO 0.00 0.81 0.07 1.23 -1.06 0.00 0.00 177.43 178.48 2fam h GLY 25 N 1.72 0.32 0.67 2.83 0.00 -0.47 -0.46 103.07 107.70 2fam h GLY 25 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.17 2fam h GLY 25 CO 0.10 0.17 0.00 1.41 0.00 0.00 0.00 176.54 178.23 2fam h LEU 26 N 0.16 -0.08 -0.94 3.11 4.07 -1.49 -2.25 115.31 117.89 2fam h LEU 26 Ca 0.06 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.18 2fam h LEU 26 Cb 0.20 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.95 2fam h LEU 26 CO -0.00 -0.01 0.58 0.44 -1.08 0.00 0.00 178.44 178.36 2fam h ASP 27 N 0.07 0.85 -0.39 -0.43 3.32 -1.26 -0.22 116.42 118.37 2fam h ASP 27 Ca 0.10 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 2fam h ASP 27 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2fam h ASP 27 CO -0.17 0.47 0.06 0.15 -1.72 0.00 0.00 179.24 178.03 2fam h PHE 28 N 0.94 0.69 -0.44 4.55 3.57 -0.52 -1.36 116.94 124.37 2fam h PHE 28 Ca 0.45 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2fam h PHE 28 Cb 0.40 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2fam h PHE 28 CO -0.02 0.69 0.16 1.25 -2.23 0.00 0.00 178.31 178.15 2fam h LEU 29 N 0.49 0.63 0.05 0.59 5.85 -0.87 -1.90 115.31 120.14 2fam h LEU 29 Ca 0.12 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2fam h LEU 29 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2fam h LEU 29 CO 0.01 0.65 -0.10 0.58 -0.34 0.00 0.00 178.44 179.24 2fam h VAL 30 N 0.58 0.77 -0.77 1.05 2.07 -1.01 -1.58 116.25 117.35 2fam h VAL 30 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 2fam h VAL 30 Cb 0.23 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2fam h VAL 30 CO -0.01 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.00 2fam h ALA 31 N 0.74 1.08 -0.16 1.67 0.00 -1.03 0.22 119.26 121.78 2fam h ALA 31 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fam h ALA 31 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2fam h ALA 31 CO -0.06 0.05 0.11 1.25 0.00 0.00 0.00 179.25 180.59 2fam h LEU 32 N 0.72 0.19 -1.75 0.00 5.85 -1.07 0.48 115.31 119.73 2fam h LEU 32 Ca 0.37 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 2fam h LEU 32 Cb 0.35 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2fam h LEU 32 CO -0.25 0.15 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.63 2fam h PHE 33 N 0.21 0.02 0.01 1.25 0.04 -0.60 -0.59 116.94 117.29 2fam h PHE 33 Ca 0.06 -0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.59 2fam h PHE 33 Cb -0.01 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.15 2fam h PHE 33 CO -0.06 0.13 -0.95 0.93 -0.60 0.00 0.00 178.31 177.75 2fam h GLU 34 N 0.02 0.62 0.00 1.51 5.08 0.15 -3.13 114.58 118.84 2fam h GLU 34 Ca 0.00 -0.69 -0.09 0.00 -1.00 0.00 0.00 59.36 57.59 2fam h GLU 34 Cb 0.20 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2fam h GLU 34 CO 0.01 1.28 -0.41 0.87 -1.00 0.00 0.00 179.01 179.76 2fam h LYS 35 N 0.25 0.00 -1.96 2.33 6.56 -0.63 -3.38 116.57 119.74 2fam h LYS 35 Ca -0.12 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.93 2fam h LYS 35 Cb 1.62 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 32.91 2fam h LYS 35 CO 0.19 0.41 -1.03 1.19 -2.06 0.00 0.00 179.45 178.15 2fam n PHE 36 N -3.28 -0.77 -0.33 -1.35 3.72 -0.26 -5.01 117.46 110.19 2fam n PHE 36 Ca 0.02 -3.34 0.23 0.00 -0.05 0.00 0.00 57.45 54.31 2fam n PHE 36 Cb 0.65 -0.03 0.46 0.00 -0.94 0.00 0.00 39.48 39.61 2fam n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2fam h PRO 37 N 4.46 0.20 -0.39 -1.08 0.11 -1.74 0.29 132.00 133.85 2fam h PRO 37 Ca 0.11 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.32 2fam h PRO 37 Cb 0.90 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2fam h PRO 37 CO 0.42 0.13 0.30 0.22 -0.21 0.00 0.00 178.00 178.86 2fam h ASP 38 N 0.20 0.00 -0.37 -2.05 3.58 -1.93 -2.89 116.42 112.97 2fam h ASP 38 Ca 0.72 0.00 0.02 0.00 0.42 0.00 0.00 57.03 58.19 2fam h ASP 38 Cb 1.68 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.71 2fam h ASP 38 CO -0.68 0.00 0.24 0.77 -2.88 0.00 0.00 179.24 176.69 2fam h SER 39 N 0.00 0.37 0.09 2.28 4.64 -1.27 -2.13 113.55 117.54 2fam h SER 39 Ca 0.19 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2fam h SER 39 Cb 0.79 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2fam h SER 39 CO -0.00 0.26 -0.04 0.00 -0.87 0.00 0.00 176.83 176.18 2fam h ALA 40 N 1.78 1.50 0.00 5.18 0.00 -1.71 -1.78 119.26 124.24 2fam h ALA 40 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2fam h ALA 40 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2fam h ALA 40 CO -0.03 0.05 0.00 -0.91 0.00 0.00 0.00 179.25 178.35 2fam h ASN 41 N 0.00 0.00 1.57 0.00 2.35 -1.58 -1.50 115.58 116.43 2fam h ASN 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fam h ASN 41 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2fam h ASN 41 CO 0.00 0.00 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.37 2fam h PHE 42 N 0.00 0.00 -3.30 1.19 -1.00 -1.47 -3.44 116.94 108.91 2fam h PHE 42 Ca 0.00 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.21 2fam h PHE 42 Cb 0.29 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 2fam h PHE 42 CO 0.00 0.00 -0.04 -0.06 -1.61 0.00 0.00 178.31 176.60 2fam s PHE 43 N -3.17 3.64 0.08 -0.55 0.40 -0.58 -4.96 117.98 112.84 2fam s PHE 43 Ca 0.08 1.13 -0.33 0.00 -0.60 0.00 0.00 56.93 57.21 2fam s PHE 43 Cb 0.09 -2.61 -0.15 0.00 0.51 0.00 0.00 43.02 40.86 2fam s PHE 43 CO 0.66 0.30 1.51 0.00 0.70 0.00 0.00 175.22 178.39 2fam h ALA 44 N 5.94 -1.08 -0.32 5.36 0.00 -1.87 0.45 119.26 127.73 2fam h ALA 44 Ca -0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2fam h ALA 44 Cb 1.20 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 2fam h ALA 44 CO 0.71 -1.14 0.19 -0.44 0.00 0.00 0.00 179.25 178.57 2fam h ASP 45 N -0.87 0.38 0.00 0.00 3.32 -1.93 -3.30 116.42 114.02 2fam h ASP 45 Ca -0.04 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2fam h ASP 45 Cb 0.78 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2fam h ASP 45 CO -0.12 0.30 -1.75 0.49 -1.72 0.00 0.00 179.24 176.44 2fam n PHE 46 N -4.46 0.00 -1.67 4.55 3.72 -1.14 -4.94 117.46 113.53 2fam n PHE 46 Ca 0.02 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.91 2fam n PHE 46 Cb 0.08 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 2fam n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2fam n LYS 47 N -2.07 1.74 0.00 -1.08 2.85 0.14 -1.77 118.16 117.97 2fam n LYS 47 Ca -0.02 0.63 0.00 0.00 -1.05 0.00 0.00 58.31 57.87 2fam n LYS 47 Cb 0.51 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 2fam n LYS 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2fam n GLY 48 N 3.71 2.88 3.77 2.58 0.00 -1.26 -5.03 105.19 111.84 2fam n GLY 48 Ca 0.21 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2fam n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fam s LYS 49 N 0.00 3.94 0.82 1.61 1.02 -0.73 -5.06 119.74 121.34 2fam s LYS 49 Ca 0.00 1.79 -0.12 0.00 0.02 0.00 0.00 55.97 57.67 2fam s LYS 49 Cb 0.00 -2.55 0.10 0.00 -0.52 0.00 0.00 37.83 34.85 2fam s LYS 49 CO 0.00 -0.41 1.18 -1.54 -0.92 0.00 0.00 175.35 173.66 2fam s SER 50 N -1.25 4.32 0.21 2.83 1.04 -1.26 -4.86 113.70 114.72 2fam s SER 50 Ca 0.60 0.65 -0.10 0.00 0.48 0.00 0.00 55.95 57.57 2fam s SER 50 Cb -0.29 -1.09 0.16 0.00 0.10 0.00 0.00 66.02 64.90 2fam s SER 50 CO 0.36 -2.00 1.87 0.58 0.98 0.00 0.00 173.24 175.03 2fam h VAL 51 N -1.09 1.16 -0.61 5.02 2.07 -1.97 -1.04 116.25 119.79 2fam h VAL 51 Ca -0.45 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 66.78 2fam h VAL 51 Cb 1.31 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2fam h VAL 51 CO 0.61 0.17 0.34 0.00 0.02 0.00 0.00 177.57 178.72 2fam h ALA 52 N 1.28 0.81 -0.39 1.67 0.00 -1.99 0.32 119.26 120.97 2fam h ALA 52 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2fam h ALA 52 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2fam h ALA 52 CO -0.07 0.03 0.23 -0.44 0.00 0.00 0.00 179.25 179.00 2fam h ASP 53 N 0.65 0.47 -0.57 0.00 3.32 -1.83 -0.43 116.42 118.03 2fam h ASP 53 Ca 0.27 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2fam h ASP 53 Cb 0.13 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2fam h ASP 53 CO -0.16 0.39 0.37 0.40 -1.72 0.00 0.00 179.24 178.53 2fam h ILE 54 N 0.51 1.15 -0.79 0.35 2.04 0.01 -1.63 117.51 119.14 2fam h ILE 54 Ca 0.14 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2fam h ILE 54 Cb 0.01 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2fam h ILE 54 CO -0.03 0.15 0.52 0.11 0.00 0.00 0.00 178.15 178.90 2fam h LYS 55 N 0.77 0.89 -0.00 2.37 1.57 0.02 -1.59 116.57 120.60 2fam h LYS 55 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2fam h LYS 55 Cb -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.04 2fam h LYS 55 CO -0.04 0.59 -0.05 0.00 -0.57 0.00 0.00 179.45 179.37 2fam n ALA 56 N -2.42 2.64 -2.05 3.86 0.00 -0.21 -4.91 120.51 117.41 2fam n ALA 56 Ca 0.11 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 2fam n ALA 56 Cb 0.17 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 2fam n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fam s SER 57 N -2.46 7.39 0.00 0.00 0.15 -0.60 -4.92 113.70 113.27 2fam s SER 57 Ca 0.31 2.00 0.18 0.00 0.70 0.00 0.00 55.95 59.14 2fam s SER 57 Cb 0.20 -2.60 0.81 0.00 -1.71 0.00 0.00 66.02 62.72 2fam s SER 57 CO 0.46 -0.11 1.55 -2.65 1.20 0.00 0.00 173.24 173.68 2fam n PRO 58 N 2.26 0.11 0.15 5.44 -0.02 -1.26 -2.74 135.00 138.93 2fam n PRO 58 Ca 0.02 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2fam n PRO 58 Cb 0.47 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.51 2fam n PRO 58 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2fam h LYS 59 N 0.00 0.00 -0.51 -0.52 1.57 -1.92 -3.39 116.57 111.80 2fam h LYS 59 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2fam h LYS 59 Cb 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 2fam h LYS 59 CO 0.00 0.03 -0.04 1.25 -0.57 0.00 0.00 179.45 180.12 2fam h LEU 60 N 0.00 -0.31 -0.96 2.94 5.85 -1.79 -2.36 115.31 118.68 2fam h LEU 60 Ca -0.01 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2fam h LEU 60 Cb 1.04 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2fam h LEU 60 CO 0.00 -0.11 0.59 -0.09 -0.34 0.00 0.00 178.44 178.50 2fam h ARG 61 N 0.07 1.30 -0.53 1.25 9.65 -1.79 0.49 114.38 124.82 2fam h ARG 61 Ca 0.25 -0.11 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 2fam h ARG 61 Cb 0.39 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2fam h ARG 61 CO -0.46 0.90 0.14 -0.44 2.80 0.00 0.00 179.97 182.90 2fam h ASP 62 N 1.32 0.79 0.22 -3.80 3.32 -1.68 -1.93 116.42 114.66 2fam h ASP 62 Ca 0.35 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2fam h ASP 62 Cb -0.08 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.27 2fam h ASP 62 CO -0.07 0.81 -0.11 0.58 -1.72 0.00 0.00 179.24 178.74 2fam h VAL 63 N 0.73 0.86 -0.57 -1.35 2.07 -1.04 -2.68 116.25 114.28 2fam h VAL 63 Ca 0.17 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2fam h VAL 63 Cb 0.32 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2fam h VAL 63 CO -0.00 0.13 0.25 0.77 0.02 0.00 0.00 177.57 178.74 2fam h SER 64 N -0.62 0.73 -0.63 0.57 4.64 -0.94 -2.32 113.55 114.98 2fam h SER 64 Ca -0.03 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2fam h SER 64 Cb 0.45 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2fam h SER 64 CO 0.05 0.64 0.11 0.77 -0.87 0.00 0.00 176.83 177.54 2fam h SER 65 N 0.81 1.01 -0.23 4.97 4.64 -1.33 -0.11 113.55 123.30 2fam h SER 65 Ca 0.20 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2fam h SER 65 Cb 0.13 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2fam h SER 65 CO -0.02 1.00 -0.05 0.08 -0.87 0.00 0.00 176.83 176.97 2fam h ARG 66 N 1.00 0.58 -0.09 4.77 0.11 -1.23 0.13 114.38 119.64 2fam h ARG 66 Ca 0.20 -0.15 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 2fam h ARG 66 Cb 0.42 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2fam h ARG 66 CO 0.01 0.64 -0.03 0.82 0.10 0.00 0.00 179.97 181.51 2fam h ILE 67 N 0.54 1.30 -0.29 0.08 2.04 -0.80 -2.81 117.51 117.57 2fam h ILE 67 Ca 0.11 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 2fam h ILE 67 Cb 0.43 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2fam h ILE 67 CO 0.02 0.28 -0.20 -0.26 0.00 0.00 0.00 178.15 177.99 2fam h PHE 68 N -0.15 0.60 -0.75 1.37 -1.00 -0.77 -1.75 116.94 114.50 2fam h PHE 68 Ca 0.02 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 2fam h PHE 68 Cb 0.46 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 2fam h PHE 68 CO 0.06 0.71 0.46 1.15 -1.61 0.00 0.00 178.31 179.07 2fam h THR 69 N 0.49 1.21 -0.32 -1.55 2.02 -0.97 -0.32 112.91 113.47 2fam h THR 69 Ca 0.08 -0.45 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 2fam h THR 69 Cb 0.62 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2fam h THR 69 CO 0.04 0.21 -0.37 -0.09 0.37 0.00 0.00 175.52 175.69 2fam h ARG 70 N 1.02 0.81 -0.26 6.66 9.65 -1.32 -2.17 114.38 128.77 2fam h ARG 70 Ca 0.27 -0.45 -0.09 0.00 -1.10 0.00 0.00 59.98 58.61 2fam h ARG 70 Cb -0.05 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2fam h ARG 70 CO -0.05 1.08 -0.20 1.25 2.80 0.00 0.00 179.97 184.85 2fam h LEU 71 N 0.59 0.47 -0.51 3.80 6.46 -1.14 -1.30 115.31 123.68 2fam h LEU 71 Ca 0.04 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2fam h LEU 71 Cb 0.96 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 2fam h LEU 71 CO 0.09 0.69 0.20 -1.13 -0.62 0.00 0.00 178.44 177.66 2fam h ASN 72 N 0.43 0.70 -0.80 1.25 -0.00 -0.89 -1.37 115.58 114.91 2fam h ASN 72 Ca 0.07 -0.17 -0.03 0.00 -0.00 0.00 0.00 56.30 56.17 2fam h ASN 72 Cb 0.60 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 38.70 2fam h ASN 72 CO 0.04 0.68 0.40 -0.33 -0.00 0.00 0.00 177.43 178.22 2fam h GLU 73 N 0.68 1.15 -0.22 6.67 4.39 -0.88 -1.38 114.58 124.98 2fam h GLU 73 Ca 0.17 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fam h GLU 73 Cb 0.20 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2fam h GLU 73 CO -0.01 0.88 0.12 0.74 -1.16 0.00 0.00 179.01 179.57 2fam h PHE 74 N 1.14 0.30 -0.74 4.33 0.04 -0.66 -2.61 116.94 118.75 2fam h PHE 74 Ca 0.28 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.05 2fam h PHE 74 Cb 0.10 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 2fam h PHE 74 CO 0.01 0.27 0.48 0.28 -0.60 0.00 0.00 178.31 178.76 2fam h VAL 75 N 0.24 1.17 0.00 -0.55 2.07 -1.13 0.82 116.25 118.86 2fam h VAL 75 Ca 0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2fam h VAL 75 Cb 0.07 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2fam h VAL 75 CO -0.01 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.35 2fam n ASN 76 N -4.59 0.28 0.00 0.57 4.13 -0.53 -3.33 115.26 111.80 2fam n ASN 76 Ca 0.07 0.56 0.00 0.00 1.68 0.00 0.00 54.58 56.89 2fam n ASN 76 Cb 0.03 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 2fam n ASN 76 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2fam n ASN 77 N -1.80 0.99 0.17 6.41 3.02 -0.95 -4.78 115.26 118.31 2fam n ASN 77 Ca 0.03 -1.23 0.19 0.00 -0.03 0.00 0.00 54.58 53.54 2fam n ASN 77 Cb 0.22 0.00 0.75 0.00 -0.61 0.00 0.00 39.78 40.14 2fam n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fam h ALA 78 N 0.00 1.88 -0.49 5.41 0.00 -0.85 -0.83 119.26 124.38 2fam h ALA 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fam h ALA 78 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2fam h ALA 78 CO 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.67 2fam n ALA 79 N -2.18 2.42 -3.83 0.00 0.00 -1.26 -1.03 120.51 114.64 2fam n ALA 79 Ca 0.05 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.21 2fam n ALA 79 Cb 0.57 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 2fam n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2fam s ASN 80 N -1.12 5.04 0.50 0.00 3.84 -0.32 -4.80 114.94 118.08 2fam s ASN 80 Ca 0.37 -2.38 0.31 0.00 0.21 0.00 0.00 52.86 51.36 2fam s ASN 80 Cb 0.20 -1.77 1.41 0.00 -0.55 0.00 0.00 41.25 40.54 2fam s ASN 80 CO 0.26 -0.43 1.79 0.00 -2.79 0.00 0.00 177.10 175.93 2fam h ALA 81 N 7.52 2.84 0.55 1.71 0.00 -1.83 -0.72 119.26 129.32 2fam h ALA 81 Ca -0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2fam h ALA 81 Cb 1.00 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2fam h ALA 81 CO 0.67 -1.21 -0.26 0.78 0.00 0.00 0.00 179.25 179.23 2fam h GLY 82 N 0.12 -0.76 1.85 0.00 0.00 -1.92 -1.74 103.07 100.61 2fam h GLY 82 Ca 0.58 0.28 -0.14 0.00 0.00 0.00 0.00 47.33 48.06 2fam h GLY 82 CO -0.11 -0.28 -0.59 0.50 0.00 0.00 0.00 176.54 176.06 2fam h LYS 83 N -0.82 0.16 0.03 4.80 1.57 -1.66 -3.17 116.57 117.47 2fam h LYS 83 Ca -0.07 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2fam h LYS 83 Cb 0.60 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2fam h LYS 83 CO 0.12 0.71 -0.04 0.52 -0.57 0.00 0.00 179.45 180.19 2fam h MET 84 N 0.12 -0.08 -0.31 3.15 2.86 -1.10 0.17 114.93 119.75 2fam h MET 84 Ca -0.01 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2fam h MET 84 Cb 1.08 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 2fam h MET 84 CO 0.09 -0.05 -0.28 0.77 1.06 0.00 0.00 176.91 178.50 2fam h SER 85 N -0.08 -0.91 -0.38 1.22 0.02 -1.29 0.66 113.55 112.80 2fam h SER 85 Ca 0.01 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2fam h SER 85 Cb 0.08 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2fam h SER 85 CO -0.02 -0.30 0.22 0.00 -1.14 0.00 0.00 176.83 175.59 2fam h ALA 86 N 0.78 0.48 0.12 3.77 0.00 -1.54 -1.13 119.26 121.74 2fam h ALA 86 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2fam h ALA 86 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2fam h ALA 86 CO -0.45 -0.02 -0.06 0.52 0.00 0.00 0.00 179.25 179.24 2fam h MET 87 N 0.49 -0.15 -0.77 0.00 2.86 0.54 -2.52 114.93 115.37 2fam h MET 87 Ca 0.13 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2fam h MET 87 Cb 0.01 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2fam h MET 87 CO -0.02 -0.03 0.49 -0.07 1.06 0.00 0.00 176.91 178.34 2fam h LEU 88 N -0.23 0.83 -0.04 1.22 3.38 0.36 -0.51 115.31 120.31 2fam h LEU 88 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2fam h LEU 88 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fam h LEU 88 CO 0.03 0.58 0.01 -1.28 0.09 0.00 0.00 178.44 177.87 2fam h SER 89 N 0.98 0.06 -0.57 -0.43 0.87 -1.16 -0.57 113.55 112.73 2fam h SER 89 Ca 0.30 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2fam h SER 89 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2fam h SER 89 CO -0.10 0.27 0.07 -0.61 -0.53 0.00 0.00 176.83 175.94 2fam h GLN 90 N -0.15 0.95 -0.53 2.24 5.75 -1.36 0.99 115.11 123.01 2fam h GLN 90 Ca 0.01 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 2fam h GLN 90 Cb 0.23 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2fam h GLN 90 CO 0.00 0.92 0.18 0.35 -2.65 0.00 0.00 178.83 177.64 2fam h PHE 91 N 0.84 0.83 -0.44 3.99 3.57 -0.96 -1.02 116.94 123.76 2fam h PHE 91 Ca 0.17 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2fam h PHE 91 Cb 0.45 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2fam h PHE 91 CO 0.03 0.70 0.08 0.00 -2.23 0.00 0.00 178.31 176.90 2fam h ALA 92 N 1.04 0.58 -0.46 2.41 0.00 -0.91 -1.32 119.26 120.61 2fam h ALA 92 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2fam h ALA 92 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2fam h ALA 92 CO -0.01 0.29 0.25 0.87 0.00 0.00 0.00 179.25 180.65 2fam h LYS 93 N 0.58 0.64 -0.08 0.00 1.57 -0.64 -1.83 116.57 116.81 2fam h LYS 93 Ca 0.14 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2fam h LYS 93 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2fam h LYS 93 CO 0.01 0.51 -0.03 0.93 -0.57 0.00 0.00 179.45 180.29 2fam h GLU 94 N 0.60 -0.02 -0.57 3.15 5.08 -1.01 -2.98 114.58 118.83 2fam h GLU 94 Ca 0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2fam h GLU 94 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2fam h GLU 94 CO -0.03 -0.01 0.15 0.45 -1.00 0.00 0.00 179.01 178.57 2fam h HIS 95 N -0.02 0.90 -0.26 4.33 3.86 -0.99 -2.97 115.15 119.99 2fam h HIS 95 Ca 0.05 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 2fam h HIS 95 Cb 0.09 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2fam h HIS 95 CO -0.15 0.74 -0.33 0.28 0.86 0.00 0.00 177.93 179.34 2fam h VAL 96 N 0.84 1.29 0.00 2.45 2.07 -1.32 0.22 116.25 121.80 2fam h VAL 96 Ca 0.19 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2fam h VAL 96 Cb 0.29 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2fam h VAL 96 CO -0.00 0.46 -0.00 1.23 0.02 0.00 0.00 177.57 179.27 2fam h GLY 97 N 1.04 0.00 -0.78 2.17 0.00 -1.36 0.38 103.07 104.52 2fam h GLY 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2fam h GLY 97 CO 0.07 0.00 -0.15 0.69 0.00 0.00 0.00 176.54 177.14 2fam n PHE 98 N -3.11 0.00 -0.69 5.60 3.72 -0.80 -4.92 117.46 117.26 2fam n PHE 98 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2fam n PHE 98 Cb 0.16 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2fam n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fam n GLY 99 N 1.31 0.58 3.73 1.37 0.00 0.13 -5.04 105.19 107.27 2fam n GLY 99 Ca 0.14 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 2fam n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fam s VAL 100 N -2.00 5.19 0.55 1.61 1.01 0.72 -4.97 120.40 122.51 2fam s VAL 100 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2fam s VAL 100 Cb 0.00 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2fam s VAL 100 CO 0.00 0.35 0.34 -0.83 0.00 0.00 0.00 175.10 174.97 2fam s GLY 101 N 0.47 2.50 0.56 4.51 0.00 -1.26 -3.87 107.32 110.23 2fam s GLY 101 Ca 0.25 -1.02 0.24 0.00 0.00 0.00 0.00 44.72 44.18 2fam s GLY 101 CO 0.10 -2.00 2.19 1.48 0.00 0.00 0.00 173.10 174.87 2fam h SER 102 N 0.81 0.00 -0.22 1.64 4.64 -1.88 -1.53 113.55 117.00 2fam h SER 102 Ca -0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 2fam h SER 102 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2fam h SER 102 CO 0.60 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.51 2fam h ALA 103 N 1.98 1.28 -0.30 5.18 0.00 -1.95 0.29 119.26 125.73 2fam h ALA 103 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2fam h ALA 103 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2fam h ALA 103 CO -0.00 0.48 -0.25 1.96 0.00 0.00 0.00 179.25 181.44 2fam h GLN 104 N 0.53 0.59 0.00 0.00 7.50 -1.67 -2.20 115.11 119.85 2fam h GLN 104 Ca 0.11 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 59.02 2fam h GLN 104 Cb 0.41 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2fam h GLN 104 CO 0.02 0.79 0.00 0.74 -1.50 0.00 0.00 178.83 178.88 2fam h PHE 105 N 0.52 0.00 -0.14 2.96 -1.00 -1.30 -2.36 116.94 115.61 2fam h PHE 105 Ca 0.07 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.73 2fam h PHE 105 Cb 0.70 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 2fam h PHE 105 CO 0.03 0.00 -0.44 0.93 -1.61 0.00 0.00 178.31 177.22 2fam h GLU 106 N 0.00 0.33 0.09 1.51 5.08 -0.35 -1.56 114.58 119.68 2fam h GLU 106 Ca 0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2fam h GLU 106 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2fam h GLU 106 CO 0.00 0.71 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.77 2fam h ASN 107 N 0.27 -0.10 -0.51 1.42 -0.26 -1.18 -1.57 115.58 113.65 2fam h ASN 107 Ca 0.02 -0.33 0.10 0.00 -0.56 0.00 0.00 56.30 55.53 2fam h ASN 107 Cb 0.89 0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 38.08 2fam h ASN 107 CO 0.07 0.29 -0.10 0.58 -1.06 0.00 0.00 177.43 177.21 2fam h VAL 108 N -0.51 0.51 -0.94 2.81 2.07 -1.36 -0.40 116.25 118.42 2fam h VAL 108 Ca -0.01 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2fam h VAL 108 Cb 0.43 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2fam h VAL 108 CO 0.02 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.14 2fam h ARG 109 N 0.02 1.16 0.00 1.57 2.43 -1.18 0.93 114.38 119.32 2fam h ARG 109 Ca 0.25 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2fam h ARG 109 Cb 0.38 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2fam h ARG 109 CO -0.51 0.77 -0.27 0.66 -1.51 0.00 0.00 179.97 179.11 2fam h SER 110 N 1.20 0.00 0.00 -3.80 4.64 -0.05 -3.19 113.55 112.35 2fam h SER 110 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2fam h SER 110 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2fam h SER 110 CO -0.11 0.27 -1.24 1.15 -0.87 0.00 0.00 176.83 176.03 2fam n MET 111 N -3.68 0.43 0.12 4.77 0.00 -0.72 -4.68 117.12 113.37 2fam n MET 111 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 57.70 57.48 2fam n MET 111 Cb 0.38 -1.46 -0.08 0.00 0.00 0.00 0.00 33.22 32.06 2fam n MET 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2fam h PHE 112 N 0.00 -1.29 -0.75 3.17 3.57 -0.83 -1.78 116.94 119.04 2fam h PHE 112 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2fam h PHE 112 Cb 0.61 0.55 -0.08 0.00 2.79 0.00 0.00 35.95 39.82 2fam h PHE 112 CO 0.00 -0.55 0.38 -1.35 -2.23 0.00 0.00 178.31 174.56 2fam h PRO 113 N -0.70 0.59 -0.15 6.41 0.11 -1.83 0.33 132.00 136.76 2fam h PRO 113 Ca 0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 2fam h PRO 113 Cb 0.71 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2fam h PRO 113 CO -0.25 0.39 -0.19 0.78 -0.21 0.00 0.00 178.00 178.52 2fam h GLY 114 N 0.61 0.28 0.78 -0.55 0.00 -1.79 -1.48 103.07 100.92 2fam h GLY 114 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2fam h GLY 114 CO -0.30 0.18 0.01 -2.75 0.00 0.00 0.00 176.54 173.69 2fam h PHE 115 N 0.24 0.10 -0.11 5.60 3.57 0.46 -2.42 116.94 124.38 2fam h PHE 115 Ca 0.04 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2fam h PHE 115 Cb 0.49 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2fam h PHE 115 CO 0.01 0.31 -0.13 0.28 -2.23 0.00 0.00 178.31 176.55 2fam h VAL 116 N -0.13 0.65 -0.05 1.41 2.07 -0.86 -0.22 116.25 119.11 2fam h VAL 116 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2fam h VAL 116 Cb 0.26 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2fam h VAL 116 CO 0.00 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.78 2fam h ALA 117 N 0.90 1.34 0.00 1.67 0.00 -1.24 0.58 119.26 122.51 2fam h ALA 117 Ca 0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2fam h ALA 117 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2fam h ALA 117 CO -0.21 -0.21 -0.35 0.66 0.00 0.00 0.00 179.25 179.15 2fam h SER 118 N 0.00 0.00 0.07 0.00 4.64 -0.51 -3.29 113.55 114.45 2fam h SER 118 Ca 0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.06 2fam h SER 118 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2fam h SER 118 CO -0.00 0.35 -1.52 0.58 -0.87 0.00 0.00 176.83 175.37 2fam h VAL 119 N 0.00 0.86 -1.75 0.95 2.07 0.15 -3.49 116.25 115.04 2fam h VAL 119 Ca -0.00 -2.28 0.02 0.00 0.82 0.00 0.00 66.70 65.26 2fam h VAL 119 Cb 0.83 2.44 -0.23 0.00 -1.52 0.00 0.00 31.29 32.80 2fam h VAL 119 CO 0.05 0.59 0.36 0.00 0.02 0.00 0.00 177.57 178.58 2fam s ALA 120 N -2.45 -1.89 0.14 1.67 0.00 -0.74 -5.02 121.76 113.47 2fam s ALA 120 Ca -0.25 1.79 -0.31 0.00 0.00 0.00 0.00 51.96 53.19 2fam s ALA 120 Cb 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 2fam s ALA 120 CO 0.69 -0.29 1.71 0.00 0.00 0.00 0.00 175.76 177.87 2fam s ALA 121 N -0.16 3.79 0.69 0.00 0.00 -1.26 -4.01 121.76 120.81 2fam s ALA 121 Ca -0.00 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 2fam s ALA 121 Cb -0.04 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.39 2fam s ALA 121 CO -0.01 -1.04 1.06 -1.25 0.00 0.00 0.00 175.76 174.52 2fam s PRO 122 N 2.05 2.95 0.68 0.00 0.04 -1.26 -5.01 135.00 134.44 2fam s PRO 122 Ca 0.76 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2fam s PRO 122 Cb -0.45 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 2fam s PRO 122 CO 0.33 -1.07 1.06 -1.25 0.04 0.00 0.00 177.00 176.11 2fam s PRO 123 N -5.08 3.09 0.34 0.56 0.04 -1.26 -4.93 135.00 127.75 2fam s PRO 123 Ca 0.58 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 2fam s PRO 123 Cb -0.14 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 2fam s PRO 123 CO 0.55 -0.95 1.33 0.00 0.04 0.00 0.00 177.00 177.97 2fam n ALA 124 N -3.01 1.44 0.00 8.56 0.00 -1.26 -1.30 120.51 124.95 2fam n ALA 124 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2fam n ALA 124 Cb 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2fam n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fam n GLY 125 N 0.88 2.63 0.17 0.00 0.00 -1.26 -4.90 105.19 102.71 2fam n GLY 125 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2fam n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fam h ALA 126 N 0.00 0.34 -0.65 4.61 0.00 -1.49 -2.74 119.26 119.33 2fam h ALA 126 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2fam h ALA 126 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2fam h ALA 126 CO 0.00 0.19 0.26 -0.44 0.00 0.00 0.00 179.25 179.26 2fam h ASP 127 N 0.23 0.26 0.21 0.00 5.19 -1.91 0.20 116.42 120.60 2fam h ASP 127 Ca 0.06 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 2fam h ASP 127 Cb 0.61 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 2fam h ASP 127 CO 0.03 0.14 -0.29 0.00 -3.12 0.00 0.00 179.24 176.01 2fam h ALA 128 N 1.45 1.38 -0.49 3.45 0.00 -1.95 -1.93 119.26 121.17 2fam h ALA 128 Ca 0.33 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2fam h ALA 128 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2fam h ALA 128 CO -0.32 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.40 2fam h ALA 129 N 1.58 0.66 -0.52 0.00 0.00 -0.36 -1.40 119.26 119.22 2fam h ALA 129 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2fam h ALA 129 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2fam h ALA 129 CO 0.04 0.43 -0.08 -1.49 0.00 0.00 0.00 179.25 178.15 2fam h TRP 130 N 0.71 1.09 0.00 0.00 4.06 -0.81 -1.20 115.95 119.79 2fam h TRP 130 Ca 0.14 -0.22 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 2fam h TRP 130 Cb 0.47 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 2fam h TRP 130 CO 0.03 1.02 -0.21 1.79 -3.56 0.00 0.00 178.44 177.52 2fam h THR 131 N 0.85 1.14 -0.31 1.49 1.35 -1.26 0.17 112.91 116.35 2fam h THR 131 Ca 0.14 -0.72 -0.14 0.00 -0.55 0.00 0.00 66.41 65.14 2fam h THR 131 Cb 0.64 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2fam h THR 131 CO 0.04 0.20 -0.36 0.50 -0.25 0.00 0.00 175.52 175.66 2fam h LYS 132 N 0.00 0.78 -0.18 4.72 3.64 -0.69 -0.57 116.57 124.28 2fam h LYS 132 Ca -0.00 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2fam h LYS 132 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2fam h LYS 132 CO 0.03 1.06 0.05 1.25 -2.27 0.00 0.00 179.45 179.56 2fam h LEU 133 N 0.55 0.27 -1.41 5.20 5.85 -0.40 -2.29 115.31 123.07 2fam h LEU 133 Ca 0.04 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2fam h LEU 133 Cb 0.94 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2fam h LEU 133 CO 0.09 0.42 0.30 -0.26 -0.34 0.00 0.00 178.44 178.65 2fam h PHE 134 N 0.10 0.67 -0.08 1.25 0.04 -0.69 0.16 116.94 118.39 2fam h PHE 134 Ca 0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 2fam h PHE 134 Cb 0.26 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2fam h PHE 134 CO 0.01 0.46 -0.13 0.78 -0.60 0.00 0.00 178.31 178.82 2fam h GLY 135 N 0.76 0.13 2.00 -1.45 0.00 -0.57 -1.46 103.07 102.48 2fam h GLY 135 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 2fam h GLY 135 CO -0.03 0.07 -0.59 1.41 0.00 0.00 0.00 176.54 177.39 2fam h LEU 136 N 0.12 0.00 -0.16 3.11 3.38 -0.45 -2.55 115.31 118.75 2fam h LEU 136 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 2fam h LEU 136 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2fam h LEU 136 CO 0.02 0.59 -0.57 0.40 0.09 0.00 0.00 178.44 178.98 2fam h ILE 137 N 0.00 1.32 -0.12 1.22 2.04 -0.90 -2.30 117.51 118.76 2fam h ILE 137 Ca -0.01 -1.81 0.03 0.00 1.00 0.00 0.00 64.86 64.07 2fam h ILE 137 Cb 1.08 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 2fam h ILE 137 CO 0.08 0.56 -0.07 0.40 0.00 0.00 0.00 178.15 179.12 2fam h ILE 138 N 0.35 0.77 -0.88 -0.67 2.04 -1.22 0.72 117.51 118.63 2fam h ILE 138 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2fam h ILE 138 Cb 1.19 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2fam h ILE 138 CO 0.12 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.29 2fam h ASP 139 N -0.07 0.95 -0.39 1.72 3.32 -1.50 0.26 116.42 120.72 2fam h ASP 139 Ca 0.07 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2fam h ASP 139 Cb 0.18 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2fam h ASP 139 CO -0.17 0.66 0.02 0.00 -1.72 0.00 0.00 179.24 178.03 2fam h ALA 140 N 1.48 1.17 -0.40 3.45 0.00 -0.62 -1.17 119.26 123.17 2fam h ALA 140 Ca 0.35 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2fam h ALA 140 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2fam h ALA 140 CO -0.10 0.55 -0.26 -0.07 0.00 0.00 0.00 179.25 179.36 2fam h LEU 141 N 0.71 0.87 -0.89 0.00 3.38 0.47 -0.36 115.31 119.49 2fam h LEU 141 Ca 0.14 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2fam h LEU 141 Cb 0.40 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2fam h LEU 141 CO 0.01 1.08 0.00 0.11 0.09 0.00 0.00 178.44 179.74 2fam h LYS 142 N 0.73 0.00 0.00 1.13 1.57 -0.38 -0.96 116.57 118.66 2fam h LYS 142 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2fam h LYS 142 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2fam h LYS 142 CO 0.07 0.00 -1.17 0.00 -0.57 0.00 0.00 179.45 177.78 2fam n ALA 143 N -1.85 2.90 1.55 3.86 0.00 -0.50 -3.83 120.51 122.64 2fam n ALA 143 Ca 0.02 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.26 2fam n ALA 143 Cb 0.25 -1.00 0.58 0.00 0.00 0.00 0.00 19.45 19.27 2fam n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fam n ALA 144 N -2.05 2.63 0.00 0.00 0.00 -0.21 -4.91 120.51 115.96 2fam n ALA 144 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2fam n ALA 144 Cb 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2fam n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fam n GLY 145 N 1.16 1.35 0.00 0.00 0.00 -1.11 -4.97 105.19 101.63 2fam n GLY 145 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2fam n GLY 145 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90