#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi n SER 5 N 0.00 1.63 -3.11 1.69 3.41 -1.26 -4.91 113.62 111.08 2xdi n SER 5 Ca 0.00 0.97 -0.17 0.00 -0.26 0.00 0.00 58.87 59.40 2xdi n SER 5 Cb 0.00 -1.02 0.14 0.00 -0.26 0.00 0.00 64.21 63.07 2xdi n SER 5 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2xdi n PRO 6 N 5.63 -1.69 -5.20 4.33 -0.04 -1.26 -5.07 135.00 131.69 2xdi n PRO 6 Ca 0.35 -1.08 -0.30 0.00 -0.04 0.00 0.00 63.50 62.43 2xdi n PRO 6 Cb 0.04 -0.89 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 2xdi n PRO 6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2xdi s TYR 7 N -2.35 2.22 -0.88 0.54 1.51 -1.26 -5.00 117.35 112.12 2xdi s TYR 7 Ca 0.42 -0.42 0.28 0.00 -1.01 0.00 0.00 57.07 56.34 2xdi s TYR 7 Cb -0.03 -1.42 1.05 0.00 -0.11 0.00 0.00 41.96 41.45 2xdi s TYR 7 CO 0.31 -0.02 1.86 -1.13 -1.11 0.00 0.00 175.55 175.46 2xdi n SER 8 N 2.41 0.36 0.00 2.29 3.41 -1.26 -4.88 113.62 115.95 2xdi n SER 8 Ca -0.16 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2xdi n SER 8 Cb 0.52 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xdi n ALA 9 N -1.63 0.00 -2.65 7.33 0.00 -1.26 -5.07 120.51 117.23 2xdi n ALA 9 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 2xdi n ALA 9 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 10 N -3.00 -2.81 -2.69 0.00 0.00 -1.26 -4.99 120.51 105.76 2xdi n ALA 10 Ca 0.00 1.60 -0.07 0.00 0.00 0.00 0.00 53.44 54.97 2xdi n ALA 10 Cb 0.00 -3.33 0.07 0.00 0.00 0.00 0.00 19.45 16.19 2xdi n ALA 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2xdi n MET 11 N 1.94 1.21 -3.78 0.00 2.81 -1.26 -5.01 117.12 113.02 2xdi n MET 11 Ca -0.27 -2.66 -0.29 0.00 -1.81 0.00 0.00 57.70 52.67 2xdi n MET 11 Cb 0.42 -0.76 0.01 0.00 -0.71 0.00 0.00 33.22 32.18 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xdi n ALA 12 N -0.36 -2.69 0.01 3.04 0.00 -1.26 -4.89 120.51 114.35 2xdi n ALA 12 Ca 0.03 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2xdi n ALA 12 Cb 0.83 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2xdi n ALA 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2xdi h GLU 13 N -1.09 0.24 -0.55 0.00 4.81 -2.02 -3.36 114.58 112.60 2xdi h GLU 13 Ca -0.60 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.21 2xdi h GLU 13 Cb 1.36 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2xdi h GLU 13 CO 0.42 1.20 0.00 0.94 -0.73 0.00 0.00 179.01 180.84 2xdi n GLN 14 N -3.85 2.61 0.01 1.92 7.27 -1.26 -4.21 117.38 119.88 2xdi n GLN 14 Ca -0.27 -2.43 0.11 0.00 0.07 0.00 0.00 57.00 54.48 2xdi n GLN 14 Cb 0.93 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.99 2xdi n GLN 14 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2xdi n ARG 15 N 1.43 0.42 0.00 3.69 3.00 -1.26 -4.04 116.66 119.91 2xdi n ARG 15 Ca 0.21 -0.07 0.08 0.00 -0.00 0.00 0.00 57.85 58.06 2xdi n ARG 15 Cb 0.58 -1.57 0.41 0.00 0.00 0.00 0.00 32.46 31.88 2xdi n ARG 15 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2xdi n HIS 16 N -2.07 0.00 0.06 -0.14 8.25 -1.26 -2.52 115.22 117.54 2xdi n HIS 16 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2xdi n HIS 16 Cb 0.48 -0.26 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 2xdi n HIS 16 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2xdi h GLN 17 N 0.00 0.15 0.00 -0.41 3.07 -1.86 -3.17 115.11 112.88 2xdi h GLN 17 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2xdi h GLN 17 Cb 0.14 0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.79 2xdi h GLN 17 CO 0.00 1.01 0.00 0.93 0.09 0.00 0.00 178.83 180.86 2xdi h GLU 18 N 0.04 0.00 0.03 0.06 5.08 -1.75 -1.92 114.58 116.12 2xdi h GLU 18 Ca -0.17 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 2xdi h GLU 18 Cb 1.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 2xdi h GLU 18 CO 0.15 0.00 -0.98 2.35 -1.00 0.00 0.00 179.01 179.53 2xdi h TRP 19 N 0.00 0.22 -0.09 4.33 2.91 -1.66 -2.67 115.95 118.99 2xdi h TRP 19 Ca 0.00 -0.14 -0.19 0.00 1.13 0.00 0.00 58.89 59.69 2xdi h TRP 19 Cb 0.37 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 2xdi h TRP 19 CO 0.00 1.03 -0.74 -0.07 -1.03 0.00 0.00 178.44 177.62 2xdi h LEU 20 N 0.06 0.57 -1.19 0.65 3.38 -1.42 -2.09 115.31 115.26 2xdi h LEU 20 Ca -0.05 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 2xdi h LEU 20 Cb 1.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2xdi h LEU 20 CO 0.14 1.13 -0.24 0.03 0.09 0.00 0.00 178.44 179.59 2xdi h ARG 21 N 0.32 0.26 0.15 1.13 3.08 -1.45 0.67 114.38 118.55 2xdi h ARG 21 Ca -0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2xdi h ARG 21 Cb 1.33 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2xdi h ARG 21 CO 0.13 0.49 -0.07 0.74 -1.07 0.00 0.00 179.97 180.19 2xdi h PHE 22 N 0.24 -0.19 -0.88 3.04 0.04 -1.30 0.69 116.94 118.58 2xdi h PHE 22 Ca 0.04 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.81 2xdi h PHE 22 Cb 0.56 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 2xdi h PHE 22 CO 0.01 0.26 0.57 -0.39 -0.60 0.00 0.00 178.31 178.16 2xdi h VAL 23 N -0.82 1.23 -0.28 -0.55 -1.51 -1.26 0.76 116.25 113.82 2xdi h VAL 23 Ca -0.02 -0.44 -0.13 0.00 -1.23 0.00 0.00 66.70 64.89 2xdi h VAL 23 Cb 0.53 -0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 2xdi h VAL 23 CO 0.03 0.23 -0.35 -0.78 -1.23 0.00 0.00 177.57 175.47 2xdi h ASP 24 N 1.19 0.65 -0.01 4.19 -0.00 0.35 1.85 116.42 124.65 2xdi h ASP 24 Ca 0.32 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.03 57.07 2xdi h ASP 24 Cb -0.12 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.03 2xdi h ASP 24 CO -0.07 0.94 -0.02 0.25 -0.00 0.00 0.00 179.24 180.35 2xdi h LEU 25 N 0.52 0.04 -0.39 2.28 6.46 0.13 -0.05 115.31 124.31 2xdi h LEU 25 Ca 0.05 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.23 2xdi h LEU 25 Cb 0.85 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 2xdi h LEU 25 CO 0.07 0.58 0.10 0.25 -0.62 0.00 0.00 178.44 178.82 2xdi h LEU 26 N -0.50 0.58 -0.53 2.25 5.85 0.60 -1.00 115.31 122.55 2xdi h LEU 26 Ca 0.00 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.59 2xdi h LEU 26 Cb 0.57 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2xdi h LEU 26 CO 0.00 0.66 0.03 0.50 -0.34 0.00 0.00 178.44 179.30 2xdi h LYS 27 N 0.48 0.15 -0.06 1.25 3.64 0.29 1.14 116.57 123.46 2xdi h LYS 27 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2xdi h LYS 27 Cb 0.31 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2xdi h LYS 27 CO 0.00 0.10 0.00 -0.97 -2.27 0.00 0.00 179.45 176.31 2xdi h ASN 28 N 0.15 0.07 1.83 4.20 -1.24 -0.51 0.12 115.58 120.20 2xdi h ASN 28 Ca 0.27 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 2xdi h ASN 28 Cb 0.41 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 2xdi h ASN 28 CO -0.42 0.08 -0.17 0.00 -1.29 0.00 0.00 177.43 175.63 2xdi h ALA 29 N 1.93 0.91 0.00 1.57 0.00 0.20 -3.13 119.26 120.74 2xdi h ALA 29 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2xdi h ALA 29 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2xdi h ALA 29 CO 0.00 0.13 -0.48 -0.92 0.00 0.00 0.00 179.25 177.98 2xdi h TYR 30 N 0.00 0.00 0.09 0.00 -0.00 0.35 0.16 116.97 117.57 2xdi h TYR 30 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.56 2xdi h TYR 30 Cb 1.08 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.83 2xdi h TYR 30 CO 0.00 0.48 -0.70 1.96 -0.00 0.00 0.00 178.16 179.89 2xdi h GLN 31 N 0.00 0.32 0.00 1.82 4.20 -1.32 -3.28 115.11 116.85 2xdi h GLN 31 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2xdi h GLN 31 Cb 1.24 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2xdi h GLN 31 CO 0.06 1.18 -0.29 -0.97 -0.67 0.00 0.00 178.83 178.15 2xdi h ASN 32 N -0.31 0.00 -0.28 1.46 -0.73 -1.60 -3.47 115.58 110.65 2xdi h ASN 32 Ca -0.11 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 57.90 2xdi h ASN 32 Cb 1.50 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 40.04 2xdi h ASN 32 CO 0.13 0.02 -0.11 -0.67 -0.37 0.00 0.00 177.43 176.43 2xdi n ASP 33 N -2.66 -5.11 -0.04 1.15 2.03 0.55 -4.81 116.55 107.66 2xdi n ASP 33 Ca 0.04 0.15 0.05 0.00 0.52 0.00 0.00 54.79 55.54 2xdi n ASP 33 Cb 0.49 -3.13 0.26 0.00 -0.72 0.00 0.00 41.12 38.02 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xdi n LEU 34 N -0.68 0.12 -0.88 -2.67 -0.00 -1.20 -3.60 117.00 108.08 2xdi n LEU 34 Ca -0.06 -0.05 0.02 0.00 -0.00 0.00 0.00 56.01 55.92 2xdi n LEU 34 Cb 0.43 -0.01 0.12 0.00 -0.00 0.00 0.00 43.42 43.96 2xdi n LEU 34 CO 0.09 0.03 0.45 0.00 -0.00 0.00 0.00 177.39 177.96 2xdi n HIS 35 N -0.57 0.61 -0.24 1.47 1.44 -1.25 -4.38 115.22 112.29 2xdi n HIS 35 Ca 0.07 -0.21 0.05 0.00 -2.01 0.00 0.00 57.72 55.61 2xdi n HIS 35 Cb 0.05 -0.21 0.17 0.00 0.12 0.00 0.00 29.99 30.12 2xdi n HIS 35 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2xdi h LEU 36 N 1.22 -0.07 0.42 2.39 6.46 -1.92 2.07 115.31 125.88 2xdi h LEU 36 Ca 0.00 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2xdi h LEU 36 Cb 0.90 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2xdi h LEU 36 CO 0.14 -0.07 -0.20 1.55 -0.62 0.00 0.00 178.44 179.24 2xdi h PRO 37 N 0.23 -0.54 0.00 5.25 0.13 -1.94 -1.61 132.00 133.52 2xdi h PRO 37 Ca 0.40 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 2xdi h PRO 37 Cb 0.68 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2xdi h PRO 37 CO -0.53 -0.23 0.00 -0.11 -0.23 0.00 0.00 178.00 176.90 2xdi n LEU 38 N -5.20 0.00 0.09 1.56 -0.00 -0.93 -2.17 117.00 110.35 2xdi n LEU 38 Ca -0.10 0.36 -0.20 0.00 -0.00 0.00 0.00 56.01 56.06 2xdi n LEU 38 Cb 0.29 -0.36 -0.15 0.00 -0.00 0.00 0.00 43.42 43.21 2xdi n LEU 38 CO 0.29 -0.20 -0.34 0.25 -0.00 0.00 0.00 177.39 177.39 2xdi h LEU 39 N 0.00 0.56 -0.18 -1.96 5.85 0.39 -1.12 115.31 118.85 2xdi h LEU 39 Ca 0.00 -0.73 -0.23 0.00 0.84 0.00 0.00 57.88 57.76 2xdi h LEU 39 Cb 0.16 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.01 2xdi h LEU 39 CO 0.00 1.60 -0.91 0.78 -0.34 0.00 0.00 178.44 179.57 2xdi h ASN 40 N 0.10 0.63 -0.04 1.25 2.35 -0.80 1.59 115.58 120.66 2xdi h ASN 40 Ca -0.26 -0.48 -0.17 0.00 -0.55 0.00 0.00 56.30 54.83 2xdi h ASN 40 Cb 2.07 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 40.25 2xdi h ASN 40 CO 0.20 1.27 -0.57 -0.07 -1.65 0.00 0.00 177.43 176.60 2xdi h LEU 41 N 0.30 0.71 -0.17 1.61 3.38 -1.60 -3.09 115.31 116.44 2xdi h LEU 41 Ca -0.08 -0.39 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 2xdi h LEU 41 Cb 1.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2xdi h LEU 41 CO 0.16 1.13 -0.95 -0.03 0.09 0.00 0.00 178.44 178.85 2xdi h MET 42 N 0.48 0.39 -6.18 1.13 4.05 -1.07 -3.46 114.93 110.27 2xdi h MET 42 Ca 0.00 -0.42 -0.59 0.00 -0.28 0.00 0.00 59.70 58.41 2xdi h MET 42 Cb 1.14 0.12 -0.15 0.00 -0.80 0.00 0.00 31.60 31.91 2xdi h MET 42 CO 0.11 1.10 -0.77 -0.48 0.23 0.00 0.00 176.91 177.10 2xdi s LEU 43 N -7.68 2.56 0.00 3.39 0.05 0.54 -5.03 118.68 112.51 2xdi s LEU 43 Ca -0.05 -1.00 0.00 0.00 0.05 0.00 0.00 54.13 53.13 2xdi s LEU 43 Cb 0.09 -1.05 -0.00 0.00 -2.05 0.00 0.00 46.19 43.18 2xdi s LEU 43 CO 0.86 0.02 0.01 0.35 -0.55 0.00 0.00 176.35 177.05 2xdi n THR 44 N -0.44 0.00 0.23 5.48 -2.24 -1.26 -4.36 114.28 111.69 2xdi n THR 44 Ca -0.07 -1.59 0.11 0.00 -2.27 0.00 0.00 64.05 60.24 2xdi n THR 44 Cb 0.59 0.35 0.52 0.00 -2.10 0.00 0.00 70.33 69.70 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2xdi h PRO 45 N 0.00 0.00 -0.01 -0.78 0.13 -1.99 -2.09 132.00 127.26 2xdi h PRO 45 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2xdi h PRO 45 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2xdi h PRO 45 CO 0.45 0.19 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 2xdi n ASP 46 N -3.39 0.51 0.03 1.44 9.92 -1.26 -3.61 116.55 120.19 2xdi n ASP 46 Ca -0.00 -1.16 -0.21 0.00 -0.53 0.00 0.00 54.79 52.89 2xdi n ASP 46 Cb 0.39 -0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.73 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2xdi h GLU 47 N 0.80 0.28 -0.65 -1.24 4.57 -1.77 -0.73 114.58 115.85 2xdi h GLU 47 Ca 0.00 -0.48 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2xdi h GLU 47 Cb 0.18 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2xdi h GLU 47 CO 0.00 1.23 0.19 0.00 -1.18 0.00 0.00 179.01 179.25 2xdi h ARG 48 N -0.27 1.01 0.00 1.92 3.08 -1.67 1.36 114.38 119.82 2xdi h ARG 48 Ca -0.27 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.52 2xdi h ARG 48 Cb 1.78 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.69 2xdi h ARG 48 CO 0.10 0.88 -0.18 0.93 -1.07 0.00 0.00 179.97 180.62 2xdi h GLU 49 N 0.97 0.12 -0.46 0.04 5.08 -1.67 -2.48 114.58 116.18 2xdi h GLU 49 Ca 0.21 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2xdi h GLU 49 Cb 0.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2xdi h GLU 49 CO -0.01 0.90 -0.15 0.00 -1.00 0.00 0.00 179.01 178.75 2xdi h ALA 50 N 0.22 0.64 0.20 3.43 0.00 -1.01 0.24 119.26 122.99 2xdi h ALA 50 Ca -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2xdi h ALA 50 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2xdi h ALA 50 CO 0.04 0.58 -0.10 1.25 0.00 0.00 0.00 179.25 181.01 2xdi h LEU 51 N 0.76 -0.23 -1.49 0.00 7.12 0.17 -0.87 115.31 120.78 2xdi h LEU 51 Ca 0.11 0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.36 2xdi h LEU 51 Cb 0.71 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.83 2xdi h LEU 51 CO 0.05 -0.16 0.63 1.23 -0.13 0.00 0.00 178.44 180.06 2xdi h GLY 52 N -0.27 0.92 0.53 3.75 0.00 -1.51 0.21 103.07 106.70 2xdi h GLY 52 Ca -0.03 -0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.20 2xdi h GLY 52 CO 0.05 -0.04 0.36 -0.84 0.00 0.00 0.00 176.54 176.06 2xdi h THR 53 N 0.38 0.88 0.60 4.70 2.02 0.05 0.14 112.91 121.68 2xdi h THR 53 Ca 0.51 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 2xdi h THR 53 Cb 1.31 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2xdi h THR 53 CO -0.20 0.11 -0.29 0.03 0.37 0.00 0.00 175.52 175.55 2xdi h ARG 54 N 0.62 -0.77 -1.03 6.66 3.08 0.83 1.54 114.38 125.32 2xdi h ARG 54 Ca 0.33 0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.73 2xdi h ARG 54 Cb 0.31 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2xdi h ARG 54 CO -0.24 -0.46 0.75 0.28 -1.07 0.00 0.00 179.97 179.23 2xdi h VAL 55 N -1.03 0.47 0.00 2.04 2.07 -1.16 -0.79 116.25 117.84 2xdi h VAL 55 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2xdi h VAL 55 Cb 0.67 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2xdi h VAL 55 CO 0.13 0.00 -0.22 0.03 0.02 0.00 0.00 177.57 177.53 2xdi h ARG 56 N 0.00 0.00 -0.81 1.57 2.47 -0.03 -2.35 114.38 115.23 2xdi h ARG 56 Ca 0.49 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.37 2xdi h ARG 56 Cb 1.98 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 30.14 2xdi h ARG 56 CO -0.01 0.30 -0.20 0.97 0.56 0.00 0.00 179.97 181.60 2xdi h ILE 57 N -1.00 0.19 -0.51 2.04 2.10 0.31 2.07 117.51 122.71 2xdi h ILE 57 Ca -0.03 -0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.81 2xdi h ILE 57 Cb 0.44 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 36.34 2xdi h ILE 57 CO -0.02 0.00 -0.05 0.58 -1.08 0.00 0.00 178.15 177.58 2xdi h VAL 58 N 0.00 1.27 -0.44 2.19 2.07 -1.33 -1.80 116.25 118.20 2xdi h VAL 58 Ca 0.39 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2xdi h VAL 58 Cb 0.60 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2xdi h VAL 58 CO -0.83 0.41 -0.02 -0.08 0.02 0.00 0.00 177.57 177.07 2xdi h GLU 59 N 0.81 0.80 0.00 1.57 4.81 0.56 -2.13 114.58 120.99 2xdi h GLU 59 Ca 0.14 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2xdi h GLU 59 Cb 0.59 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2xdi h GLU 59 CO 0.04 0.87 -0.05 0.93 -0.73 0.00 0.00 179.01 180.07 2xdi h GLU 60 N 0.64 0.00 0.00 1.92 3.07 0.32 1.36 114.58 121.89 2xdi h GLU 60 Ca 0.12 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.80 2xdi h GLU 60 Cb 0.53 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 2xdi h GLU 60 CO 0.03 0.05 -0.89 -0.07 -1.40 0.00 0.00 179.01 176.73 2xdi h LEU 61 N 0.00 0.00 0.18 1.33 -0.00 -0.77 3.97 115.31 120.02 2xdi h LEU 61 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 2xdi h LEU 61 Cb 0.33 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.02 2xdi h LEU 61 CO 0.01 0.89 -1.28 0.25 -0.00 0.00 0.00 178.44 178.31 2xdi h LEU 62 N 0.00 0.81 -5.18 1.67 7.12 -0.25 -3.41 115.31 116.07 2xdi h LEU 62 Ca -0.01 -0.88 -0.31 0.00 0.13 0.00 0.00 57.88 56.82 2xdi h LEU 62 Cb 1.60 -0.26 -0.26 0.00 -0.53 0.00 0.00 40.66 41.22 2xdi h LEU 62 CO 0.12 1.62 -0.73 -1.14 -0.13 0.00 0.00 178.44 178.18 2xdi n ARG 63 N -3.82 1.10 -2.69 1.25 0.63 0.44 -4.96 116.66 108.61 2xdi n ARG 63 Ca -0.15 -2.47 -0.07 0.00 -0.92 0.00 0.00 57.85 54.23 2xdi n ARG 63 Cb 1.01 -0.88 0.05 0.00 0.45 0.00 0.00 32.46 33.08 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2xdi n GLY 64 N -0.07 1.55 0.52 5.14 0.00 1.31 -4.60 105.19 109.04 2xdi n GLY 64 Ca 0.07 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 45.06 2xdi n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xdi n GLU 65 N -0.24 0.96 -0.70 1.61 1.02 -1.23 -4.57 120.64 117.49 2xdi n GLU 65 Ca 0.07 -1.34 -0.10 0.00 -0.02 0.00 0.00 57.16 55.77 2xdi n GLU 65 Cb 0.82 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 31.03 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2xdi n MET 66 N 0.69 1.50 0.00 3.49 2.81 -1.26 -3.82 117.12 120.53 2xdi n MET 66 Ca 0.08 -1.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 2xdi n MET 66 Cb 0.32 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 2xdi n MET 66 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2xdi n SER 67 N 0.63 0.00 -0.03 7.83 3.41 -1.26 -5.01 113.62 119.19 2xdi n SER 67 Ca 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2xdi n SER 67 Cb 0.60 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 2xdi n SER 67 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2xdi h GLN 68 N 0.00 0.11 0.00 4.33 1.08 -1.84 -2.80 115.11 116.00 2xdi h GLN 68 Ca 0.00 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2xdi h GLN 68 Cb 0.00 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2xdi h GLN 68 CO 0.00 0.79 -0.19 -0.09 -0.95 0.00 0.00 178.83 178.39 2xdi h ARG 69 N -0.53 0.00 -0.34 1.46 2.43 -1.95 -2.25 114.38 113.19 2xdi h ARG 69 Ca -0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2xdi h ARG 69 Cb 0.82 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2xdi h ARG 69 CO 0.03 0.19 -0.31 1.49 -1.51 0.00 0.00 179.97 179.86 2xdi h GLU 70 N 0.00 0.81 -2.23 0.20 4.81 -1.94 -3.33 114.58 112.90 2xdi h GLU 70 Ca -0.00 -0.42 -0.59 0.00 -0.13 0.00 0.00 59.36 58.22 2xdi h GLU 70 Cb 0.42 0.01 -0.42 0.00 0.63 0.00 0.00 28.75 29.39 2xdi h GLU 70 CO 0.03 1.05 -0.67 1.28 -0.73 0.00 0.00 179.01 179.97 2xdi n LEU 71 N -4.18 3.95 -0.21 1.64 4.32 -1.02 -4.89 117.00 116.61 2xdi n LEU 71 Ca -0.03 -5.55 0.29 0.00 -0.02 0.00 0.00 56.01 50.70 2xdi n LEU 71 Cb 0.49 -0.49 0.50 0.00 -1.62 0.00 0.00 43.42 42.30 2xdi n LEU 71 CO 0.46 2.25 1.26 0.07 -1.22 0.00 0.00 177.39 180.22 2xdi h LYS 72 N 3.40 0.00 0.00 3.23 2.10 -1.53 1.52 116.57 125.29 2xdi h LYS 72 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2xdi h LYS 72 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2xdi h LYS 72 CO 0.80 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.34 2xdi n ASN 73 N -3.34 0.31 0.02 7.07 5.03 -1.26 0.42 115.26 123.51 2xdi n ASN 73 Ca 0.23 0.63 0.13 0.00 0.87 0.00 0.00 54.58 56.44 2xdi n ASN 73 Cb 1.45 -0.68 0.41 0.00 -1.02 0.00 0.00 39.78 39.95 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2xdi n GLU 74 N -1.90 0.08 -0.01 3.52 2.13 0.52 -3.49 120.64 121.50 2xdi n GLU 74 Ca -0.00 0.04 0.04 0.00 0.66 0.00 0.00 57.16 57.90 2xdi n GLU 74 Cb 0.04 -1.57 -0.08 0.00 0.27 0.00 0.00 31.44 30.10 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2xdi n PHE 75 N -1.70 0.00 -3.37 4.31 -0.00 0.17 -4.11 117.46 112.75 2xdi n PHE 75 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.09 2xdi n PHE 75 Cb 0.37 -0.26 -0.09 0.00 -0.00 0.00 0.00 39.48 39.50 2xdi n PHE 75 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2xdi s GLY 76 N -3.27 1.90 -0.15 7.13 0.00 -0.12 -4.12 107.32 108.69 2xdi s GLY 76 Ca -0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.38 2xdi s GLY 76 CO 0.42 1.05 0.04 0.00 0.00 0.00 0.00 173.10 174.61 2xdi n ALA 77 N 5.45 -3.31 0.00 3.20 0.00 -1.26 -4.75 120.51 119.84 2xdi n ALA 77 Ca -0.08 0.60 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2xdi n ALA 77 Cb 0.49 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2xdi n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdi n GLY 78 N 0.55 1.35 1.03 0.00 0.00 -1.26 -4.89 105.19 101.97 2xdi n GLY 78 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2xdi n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2xdi n ILE 79 N 0.00 1.89 0.00 -0.61 0.13 -1.26 -4.25 119.36 115.26 2xdi n ILE 79 Ca 0.00 -1.47 0.00 0.00 -1.10 0.00 0.00 62.75 60.18 2xdi n ILE 79 Cb 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 39.64 38.82 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2xdi n ALA 80 N 0.17 1.89 0.14 1.51 0.00 -1.26 -4.66 120.51 118.30 2xdi n ALA 80 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.69 2xdi n ALA 80 Cb 0.79 0.19 0.04 0.00 0.00 0.00 0.00 19.45 20.47 2xdi n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi h THR 81 N 0.00 0.51 -0.35 0.00 1.03 -1.98 -2.39 112.91 109.73 2xdi h THR 81 Ca 0.00 -1.77 -0.09 0.00 -0.01 0.00 0.00 66.41 64.54 2xdi h THR 81 Cb 0.77 2.18 -0.02 0.00 -1.07 0.00 0.00 68.15 70.00 2xdi h THR 81 CO 0.00 0.29 -0.17 0.40 -0.01 0.00 0.00 175.52 176.03 2xdi h ILE 82 N 0.00 1.26 -0.39 0.00 1.08 -1.83 -3.20 117.51 114.43 2xdi h ILE 82 Ca -0.03 -1.21 -0.29 0.00 -0.39 0.00 0.00 64.86 62.95 2xdi h ILE 82 Cb 1.28 1.17 -0.25 0.00 -3.07 0.00 0.00 36.82 35.95 2xdi h ILE 82 CO 0.04 0.40 -0.72 0.35 -0.69 0.00 0.00 178.15 177.53 2xdi n THR 83 N -4.15 2.19 -0.15 -0.27 -2.24 -1.23 -5.06 114.28 103.37 2xdi n THR 83 Ca 0.01 -3.58 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 2xdi n THR 83 Cb 0.38 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 2xdi n THR 83 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2xdi n ARG 84 N -0.81 -0.22 -2.96 -0.78 1.85 -0.90 -4.91 116.66 107.93 2xdi n ARG 84 Ca 0.30 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.76 2xdi n ARG 84 Cb 0.85 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 32.26 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2xdi n GLY 85 N 1.50 5.42 3.53 2.89 0.00 -1.26 -5.01 105.19 112.25 2xdi n GLY 85 Ca 0.00 -2.67 -0.25 0.00 0.00 0.00 0.00 46.02 43.10 2xdi n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xdi s SER 86 N -1.91 3.77 -0.38 1.61 0.15 -1.26 -5.04 113.70 110.64 2xdi s SER 86 Ca 0.36 -1.06 -0.38 0.00 0.70 0.00 0.00 55.95 55.57 2xdi s SER 86 Cb 0.12 -0.38 -0.13 0.00 -1.71 0.00 0.00 66.02 63.92 2xdi s SER 86 CO 0.01 -0.08 2.15 0.59 1.20 0.00 0.00 173.24 177.11 2xdi n ASN 87 N -0.74 1.81 0.08 5.45 3.02 -1.26 -4.78 115.26 118.85 2xdi n ASN 87 Ca -0.05 0.52 0.12 0.00 -0.03 0.00 0.00 54.58 55.14 2xdi n ASN 87 Cb 0.61 -1.17 0.23 0.00 -0.61 0.00 0.00 39.78 38.85 2xdi n ASN 87 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2xdi h SER 88 N 11.23 0.00 0.06 6.41 0.87 -1.97 -3.28 113.55 126.87 2xdi h SER 88 Ca -0.24 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2xdi h SER 88 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2xdi h SER 88 CO 1.03 0.07 -1.33 -0.11 -0.53 0.00 0.00 176.83 175.96 2xdi n LEU 89 N -2.22 0.61 -0.07 2.23 7.94 -1.26 -3.56 117.00 120.66 2xdi n LEU 89 Ca 0.04 -0.26 0.14 0.00 -1.11 0.00 0.00 56.01 54.81 2xdi n LEU 89 Cb 0.45 -0.02 0.77 0.00 0.53 0.00 0.00 43.42 45.15 2xdi n LEU 89 CO 0.35 0.14 1.00 1.17 -1.11 0.00 0.00 177.39 178.94 2xdi n LYS 90 N -1.81 1.10 0.00 1.96 4.81 -1.24 -3.24 118.16 119.73 2xdi n LYS 90 Ca 0.01 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2xdi n LYS 90 Cb 0.42 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.04 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2xdi n ALA 91 N -0.77 1.70 -3.29 3.14 0.00 -1.25 -5.06 120.51 114.98 2xdi n ALA 91 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 2xdi n ALA 91 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.59 2xdi n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 92 N -0.98 -2.66 -0.06 0.00 0.00 -1.20 -4.70 120.51 110.91 2xdi n ALA 92 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 2xdi n ALA 92 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 2xdi n ALA 92 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xdi h PRO 93 N 0.87 0.57 -0.12 0.00 0.13 -1.91 -0.38 132.00 131.15 2xdi h PRO 93 Ca -0.27 -0.36 0.03 0.00 -0.87 0.00 0.00 66.00 64.54 2xdi h PRO 93 Cb 1.18 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2xdi h PRO 93 CO 0.28 0.97 0.28 0.28 -0.23 0.00 0.00 178.00 179.58 2xdi h VAL 94 N 0.23 0.17 0.18 1.56 2.07 -1.91 0.86 116.25 119.42 2xdi h VAL 94 Ca 0.01 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.18 2xdi h VAL 94 Cb 0.93 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2xdi h VAL 94 CO 0.08 0.00 -1.77 -0.33 0.02 0.00 0.00 177.57 175.56 2xdi h GLU 95 N 0.00 0.38 -0.48 1.57 5.08 -1.70 -2.65 114.58 116.79 2xdi h GLU 95 Ca 0.06 -0.65 -0.08 0.00 -1.00 0.00 0.00 59.36 57.69 2xdi h GLU 95 Cb 0.62 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2xdi h GLU 95 CO -0.00 1.31 -0.02 1.25 -1.00 0.00 0.00 179.01 180.55 2xdi h LEU 96 N 0.09 0.78 -0.86 1.33 7.12 0.14 -1.93 115.31 121.98 2xdi h LEU 96 Ca -0.35 -0.20 -0.12 0.00 0.13 0.00 0.00 57.88 57.34 2xdi h LEU 96 Cb 2.09 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.99 2xdi h LEU 96 CO 0.17 0.86 -0.56 -0.09 -0.13 0.00 0.00 178.44 178.68 2xdi h ARG 97 N 0.75 0.00 0.28 1.25 2.43 0.41 -2.67 114.38 116.81 2xdi h ARG 97 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2xdi h ARG 97 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2xdi h ARG 97 CO 0.02 0.56 -0.20 1.96 -1.51 0.00 0.00 179.97 180.81 2xdi h GLN 98 N 0.00 -0.45 0.40 0.20 4.20 -0.97 0.85 115.11 119.33 2xdi h GLN 98 Ca -0.01 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2xdi h GLN 98 Cb 1.01 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 2xdi h GLN 98 CO 0.07 -0.30 -0.23 2.35 -0.67 0.00 0.00 178.83 180.05 2xdi h TRP 99 N -0.47 -0.60 -0.97 2.96 -0.00 -1.46 0.12 115.95 115.53 2xdi h TRP 99 Ca -0.02 -0.01 0.18 0.00 -0.00 0.00 0.00 58.89 59.04 2xdi h TRP 99 Cb 0.41 0.21 -0.09 0.00 -0.00 0.00 0.00 29.16 29.69 2xdi h TRP 99 CO -0.11 -0.36 0.61 1.25 -0.00 0.00 0.00 178.44 179.83 2xdi h LEU 100 N -0.59 0.69 -1.54 0.65 5.85 -1.28 0.87 115.31 119.95 2xdi h LEU 100 Ca -0.05 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2xdi h LEU 100 Cb 0.48 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2xdi h LEU 100 CO 0.06 0.27 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.93 2xdi h GLU 101 N 0.69 0.00 0.01 1.25 5.08 0.20 -1.03 114.58 120.78 2xdi h GLU 101 Ca 0.53 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.67 2xdi h GLU 101 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2xdi h GLU 101 CO -0.30 0.17 -0.95 1.49 -1.00 0.00 0.00 179.01 178.42 2xdi h GLU 102 N 0.00 0.33 0.00 2.33 4.81 0.33 0.89 114.58 123.27 2xdi h GLU 102 Ca -0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2xdi h GLU 102 Cb 0.53 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2xdi h GLU 102 CO 0.02 1.07 -0.38 0.28 -0.73 0.00 0.00 179.01 179.27 2xdi n VAL 103 N -3.69 0.18 -0.06 0.32 0.31 -0.78 -2.28 118.33 112.32 2xdi n VAL 103 Ca -0.06 -0.12 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 2xdi n VAL 103 Cb 0.85 -0.12 -0.09 0.00 -0.91 0.00 0.00 33.84 33.57 2xdi n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2xdi n LEU 104 N -1.78 0.00 -1.35 7.52 7.94 -0.42 -4.45 117.00 124.46 2xdi n LEU 104 Ca 0.05 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.91 2xdi n LEU 104 Cb 0.38 0.28 0.23 0.00 0.53 0.00 0.00 43.42 44.84 2xdi n LEU 104 CO 0.33 0.28 0.83 0.18 -1.11 0.00 0.00 177.39 177.90 2xdi n LEU 105 N -2.41 4.69 0.00 -1.96 4.77 0.31 -5.00 117.00 117.39 2xdi n LEU 105 Ca -0.18 -3.47 0.00 0.00 -0.03 0.00 0.00 56.01 52.32 2xdi n LEU 105 Cb 0.86 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2xdi n LEU 105 CO 0.25 1.01 0.00 2.29 -1.33 0.00 0.00 177.39 179.61 2xdi n LYS 106 N -0.83 -1.32 -1.96 3.23 2.85 -0.97 -4.69 118.16 114.49 2xdi n LYS 106 Ca 0.35 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.37 2xdi n LYS 106 Cb 1.13 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.46 2xdi n LYS 106 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2xdi s SER 107 N -2.00 4.89 0.00 -5.58 0.01 -1.26 -5.08 113.70 104.68 2xdi s SER 107 Ca 0.00 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2xdi s SER 107 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2xdi s SER 107 CO 0.00 -2.99 0.00 0.47 0.41 0.00 0.00 173.24 171.13