#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi s SER 5 N 0.00 3.99 0.00 1.08 1.04 -1.26 -4.99 113.70 113.57 2xdi s SER 5 Ca 0.00 -3.02 0.00 0.00 0.48 0.00 0.00 55.95 53.41 2xdi s SER 5 Cb 0.00 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2xdi s SER 5 CO 0.00 -0.22 0.20 -0.81 0.98 0.00 0.00 173.24 173.39 2xdi n PRO 6 N 3.06 0.00 -2.73 4.02 -0.04 -1.26 -4.92 135.00 133.14 2xdi n PRO 6 Ca 0.10 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 2xdi n PRO 6 Cb 0.34 -0.91 0.05 0.00 -0.04 0.00 0.00 33.50 32.94 2xdi n PRO 6 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2xdi n TYR 7 N -1.34 -2.59 -2.20 0.54 9.36 -1.26 -5.13 117.16 114.54 2xdi n TYR 7 Ca 0.00 -1.35 -0.41 0.00 3.32 0.00 0.00 57.90 59.46 2xdi n TYR 7 Cb 0.00 1.41 -0.03 0.00 -0.63 0.00 0.00 39.34 40.09 2xdi n TYR 7 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2xdi s SER 8 N -0.67 6.88 1.24 2.98 0.01 -1.26 -5.00 113.70 117.88 2xdi s SER 8 Ca 0.30 2.48 -0.15 0.00 1.31 0.00 0.00 55.95 59.89 2xdi s SER 8 Cb 0.17 -2.62 0.23 0.00 0.21 0.00 0.00 66.02 64.01 2xdi s SER 8 CO -0.16 -0.51 0.51 0.00 0.41 0.00 0.00 173.24 173.49 2xdi n ALA 9 N 2.02 -3.12 -3.15 1.44 0.00 -1.26 -5.05 120.51 111.39 2xdi n ALA 9 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 53.44 52.62 2xdi n ALA 9 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi s ALA 10 N -2.06 -2.76 -2.55 0.00 0.00 -1.26 -5.01 121.76 108.11 2xdi s ALA 10 Ca 0.40 1.62 0.21 0.00 0.00 0.00 0.00 51.96 54.19 2xdi s ALA 10 Cb -0.07 -2.35 0.24 0.00 0.00 0.00 0.00 23.12 20.95 2xdi s ALA 10 CO 0.33 -1.45 1.24 -0.12 0.00 0.00 0.00 175.76 175.76 2xdi n MET 11 N 5.43 2.13 -0.02 0.00 1.56 -1.26 -4.47 117.12 120.50 2xdi n MET 11 Ca -0.02 -1.93 -0.12 0.00 -0.27 0.00 0.00 57.70 55.36 2xdi n MET 11 Cb 0.52 -1.43 -0.07 0.00 2.15 0.00 0.00 33.22 34.39 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2xdi h ALA 12 N 4.20 0.11 -6.81 -5.12 0.00 -2.03 -3.46 119.26 106.15 2xdi h ALA 12 Ca 0.00 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 2xdi h ALA 12 Cb 0.91 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.38 2xdi h ALA 12 CO 0.00 -0.21 -0.80 0.39 0.00 0.00 0.00 179.25 178.63 2xdi n GLU 13 N -4.84 -1.80 -3.51 0.00 1.02 -1.26 0.22 120.64 110.47 2xdi n GLU 13 Ca -0.06 0.22 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 2xdi n GLU 13 Cb 0.19 -4.86 0.08 0.00 -0.02 0.00 0.00 31.44 26.84 2xdi n GLU 13 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2xdi n GLN 14 N -4.03 -6.85 0.16 3.49 7.27 -1.26 -4.89 117.38 111.27 2xdi n GLN 14 Ca 0.09 0.82 0.11 0.00 0.07 0.00 0.00 57.00 58.09 2xdi n GLN 14 Cb 0.47 -5.81 0.09 0.00 2.41 0.00 0.00 30.24 27.39 2xdi n GLN 14 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2xdi h ARG 15 N -2.13 0.00 -1.38 3.69 0.11 -0.56 -3.30 114.38 110.81 2xdi h ARG 15 Ca -0.59 0.00 0.40 0.00 0.10 0.00 0.00 59.98 59.89 2xdi h ARG 15 Cb 1.35 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.38 2xdi h ARG 15 CO 0.53 0.04 1.03 1.25 0.10 0.00 0.00 179.97 182.92 2xdi h HIS 16 N 0.00 0.00 0.00 4.08 2.76 -1.90 1.77 115.15 121.86 2xdi h HIS 16 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2xdi h HIS 16 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2xdi h HIS 16 CO 0.00 0.00 0.10 1.96 -1.30 0.00 0.00 177.93 178.69 2xdi h GLN 17 N 0.00 0.00 0.00 5.26 1.08 -1.97 0.58 115.11 120.06 2xdi h GLN 17 Ca 0.66 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.86 2xdi h GLN 17 Cb 2.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.14 2xdi h GLN 17 CO -0.01 0.00 0.00 -1.91 -0.95 0.00 0.00 178.83 175.96 2xdi n GLU 18 N -3.01 0.08 -0.00 1.46 4.07 0.60 -2.35 120.64 121.50 2xdi n GLU 18 Ca -0.03 0.09 -0.17 0.00 -0.06 0.00 0.00 57.16 56.99 2xdi n GLU 18 Cb 0.16 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 29.92 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2xdi h TRP 19 N 0.00 0.41 -0.17 4.31 2.91 0.04 -2.21 115.95 121.24 2xdi h TRP 19 Ca 0.00 -0.25 -0.16 0.00 1.13 0.00 0.00 58.89 59.62 2xdi h TRP 19 Cb 0.36 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 2xdi h TRP 19 CO 0.00 1.10 -0.54 -0.07 -1.03 0.00 0.00 178.44 177.90 2xdi h LEU 20 N -0.40 0.56 -1.53 0.65 3.38 -1.65 0.73 115.31 117.04 2xdi h LEU 20 Ca -0.07 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2xdi h LEU 20 Cb 1.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2xdi h LEU 20 CO 0.09 0.99 0.10 -0.09 0.09 0.00 0.00 178.44 179.62 2xdi h ARG 21 N 0.39 0.40 0.03 1.13 2.43 -1.52 1.12 114.38 118.36 2xdi h ARG 21 Ca 0.01 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.89 2xdi h ARG 21 Cb 1.07 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 2xdi h ARG 21 CO 0.10 0.35 -1.21 0.35 -1.51 0.00 0.00 179.97 178.05 2xdi h PHE 22 N 0.40 0.11 -0.21 2.20 3.04 -1.00 -1.51 116.94 119.97 2xdi h PHE 22 Ca 0.10 -0.08 -0.21 0.00 3.98 0.00 0.00 57.97 61.76 2xdi h PHE 22 Cb 0.12 -0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.63 2xdi h PHE 22 CO 0.00 1.08 -0.68 0.28 -2.02 0.00 0.00 178.31 176.98 2xdi h VAL 23 N 0.02 1.28 -0.11 1.41 2.07 0.44 0.21 116.25 121.56 2xdi h VAL 23 Ca -0.10 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.43 2xdi h VAL 23 Cb 1.86 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2xdi h VAL 23 CO 0.13 0.60 -0.42 0.44 0.02 0.00 0.00 177.57 178.35 2xdi h ASP 24 N 0.59 0.56 -0.47 0.57 5.19 0.12 1.59 116.42 124.57 2xdi h ASP 24 Ca -0.02 -0.62 -0.12 0.00 -0.62 0.00 0.00 57.03 55.65 2xdi h ASP 24 Cb 1.29 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 2xdi h ASP 24 CO 0.14 1.08 -0.16 -0.07 -3.12 0.00 0.00 179.24 177.12 2xdi h LEU 25 N 0.07 0.98 -0.00 1.55 -0.00 -1.30 0.46 115.31 117.07 2xdi h LEU 25 Ca -0.02 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2xdi h LEU 25 Cb 1.05 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2xdi h LEU 25 CO 0.09 1.12 -0.02 0.25 -0.00 0.00 0.00 178.44 179.88 2xdi h LEU 26 N 0.85 0.02 -1.37 1.67 5.85 -0.53 -1.86 115.31 119.94 2xdi h LEU 26 Ca 0.12 -0.63 0.12 0.00 0.84 0.00 0.00 57.88 58.33 2xdi h LEU 26 Cb 0.71 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2xdi h LEU 26 CO 0.05 0.65 0.53 0.50 -0.34 0.00 0.00 178.44 179.84 2xdi h LYS 27 N -0.61 0.63 -0.22 1.25 3.11 0.24 0.70 116.57 121.68 2xdi h LYS 27 Ca -0.00 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 2xdi h LYS 27 Cb 0.65 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 2xdi h LYS 27 CO 0.00 0.42 -0.07 -0.97 -2.81 0.00 0.00 179.45 176.02 2xdi h ASN 28 N 0.65 0.32 0.93 4.20 -1.24 0.11 -1.34 115.58 119.22 2xdi h ASN 28 Ca 0.40 -0.06 -0.13 0.00 0.71 0.00 0.00 56.30 57.21 2xdi h ASN 28 Cb 0.63 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 2xdi h ASN 28 CO -0.16 0.44 -0.63 0.00 -1.29 0.00 0.00 177.43 175.80 2xdi h ALA 29 N 1.60 0.77 0.00 1.57 0.00 0.12 -2.93 119.26 120.39 2xdi h ALA 29 Ca 0.07 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2xdi h ALA 29 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xdi h ALA 29 CO 0.02 0.78 -0.31 1.88 0.00 0.00 0.00 179.25 181.62 2xdi h TYR 30 N 0.00 0.00 0.00 0.00 0.99 0.19 -1.79 116.97 116.37 2xdi h TYR 30 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2xdi h TYR 30 Cb 1.26 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.99 2xdi h TYR 30 CO 0.00 0.31 -0.07 0.37 -0.00 0.00 0.00 178.16 178.77 2xdi h GLN 31 N 0.00 0.04 0.00 4.88 4.15 -1.23 -3.13 115.11 119.83 2xdi h GLN 31 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2xdi h GLN 31 Cb 0.83 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2xdi h GLN 31 CO 0.04 0.86 0.00 0.09 -1.93 0.00 0.00 178.83 177.89 2xdi n ASN 32 N -4.64 0.00 -1.78 -0.69 4.13 -1.14 -4.83 115.26 106.31 2xdi n ASN 32 Ca -0.10 0.41 -0.19 0.00 1.68 0.00 0.00 54.58 56.38 2xdi n ASN 32 Cb 0.43 -0.46 -0.06 0.00 -1.54 0.00 0.00 39.78 38.15 2xdi n ASN 32 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2xdi n ASP 33 N -1.46 -5.08 -1.35 6.41 10.43 -0.68 -4.81 116.55 120.01 2xdi n ASP 33 Ca 0.05 0.35 0.10 0.00 2.57 0.00 0.00 54.79 57.86 2xdi n ASP 33 Cb 0.18 -4.45 0.31 0.00 1.84 0.00 0.00 41.12 39.00 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2xdi n LEU 34 N -2.44 3.96 -0.19 0.64 -0.00 -1.16 -4.29 117.00 113.53 2xdi n LEU 34 Ca -0.20 -1.99 0.01 0.00 -0.00 0.00 0.00 56.01 53.83 2xdi n LEU 34 Cb 0.63 -0.50 0.02 0.00 -0.00 0.00 0.00 43.42 43.57 2xdi n LEU 34 CO 0.28 0.84 0.47 0.00 -0.00 0.00 0.00 177.39 178.97 2xdi n HIS 35 N 1.29 0.07 -0.33 1.47 1.44 -1.24 -4.30 115.22 113.62 2xdi n HIS 35 Ca 0.23 -0.03 0.04 0.00 -2.01 0.00 0.00 57.72 55.95 2xdi n HIS 35 Cb 0.68 -0.03 0.11 0.00 0.12 0.00 0.00 29.99 30.87 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 0.24 -0.92 -0.78 2.39 6.46 -1.93 2.18 115.31 122.95 2xdi h LEU 36 Ca 0.00 0.28 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2xdi h LEU 36 Cb 0.17 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2xdi h LEU 36 CO 0.01 -0.30 0.00 -0.81 -0.62 0.00 0.00 178.44 176.71 2xdi n PRO 37 N -5.57 0.20 0.08 5.25 -0.04 -1.26 -1.96 135.00 131.70 2xdi n PRO 37 Ca 0.13 0.44 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 2xdi n PRO 37 Cb 0.45 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 2xdi n PRO 37 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2xdi h LEU 38 N 0.00 0.00 0.11 1.53 4.07 0.32 -1.68 115.31 119.66 2xdi h LEU 38 Ca 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.73 2xdi h LEU 38 Cb 0.36 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.12 2xdi h LEU 38 CO 0.00 0.46 -0.98 -0.07 -1.08 0.00 0.00 178.44 176.77 2xdi h LEU 39 N 0.00 0.67 -0.07 1.67 3.38 -0.39 0.52 115.31 121.10 2xdi h LEU 39 Ca -0.09 -0.85 -0.25 0.00 0.09 0.00 0.00 57.88 56.78 2xdi h LEU 39 Cb 1.42 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.98 2xdi h LEU 39 CO 0.04 1.46 -0.98 0.78 0.09 0.00 0.00 178.44 179.83 2xdi h ASN 40 N -0.02 0.84 0.23 -0.43 4.21 -1.61 2.11 115.58 120.91 2xdi h ASN 40 Ca -0.15 -0.65 -0.10 0.00 1.21 0.00 0.00 56.30 56.61 2xdi h ASN 40 Cb 1.71 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 38.64 2xdi h ASN 40 CO 0.19 1.45 -0.38 0.25 -1.29 0.00 0.00 177.43 177.64 2xdi h LEU 41 N 0.38 0.22 0.00 1.61 5.85 -1.38 -3.09 115.31 118.90 2xdi h LEU 41 Ca -0.11 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.39 2xdi h LEU 41 Cb 1.63 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 2xdi h LEU 41 CO 0.19 0.59 -1.69 0.80 -0.34 0.00 0.00 178.44 177.99 2xdi n MET 42 N -4.05 0.64 -3.72 1.25 1.56 0.17 -4.83 117.12 108.14 2xdi n MET 42 Ca -0.01 0.05 -0.37 0.00 -0.27 0.00 0.00 57.70 57.09 2xdi n MET 42 Cb 0.45 -1.68 -0.12 0.00 2.15 0.00 0.00 33.22 34.02 2xdi n MET 42 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 2xdi s LEU 43 N -5.32 3.68 0.00 -0.89 0.05 0.71 -4.66 118.68 112.25 2xdi s LEU 43 Ca -0.05 -0.30 0.00 0.00 0.05 0.00 0.00 54.13 53.83 2xdi s LEU 43 Cb 0.10 -1.96 0.00 0.00 -2.05 0.00 0.00 46.19 42.28 2xdi s LEU 43 CO 0.84 -0.08 0.00 0.41 -0.55 0.00 0.00 176.35 176.96 2xdi n THR 44 N 4.95 0.00 -1.21 5.48 -1.04 -1.26 -4.56 114.28 116.64 2xdi n THR 44 Ca -0.15 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.50 2xdi n THR 44 Cb 0.51 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 2xdi n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xdi n PRO 45 N 0.00 2.44 -1.90 -2.82 -0.04 -1.26 -4.34 135.00 127.09 2xdi n PRO 45 Ca 0.00 -1.99 -0.21 0.00 -0.04 0.00 0.00 63.50 61.26 2xdi n PRO 45 Cb 0.00 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 2xdi n PRO 45 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2xdi n ASP 46 N 5.43 -5.62 -0.01 3.54 -0.08 -1.26 -4.83 116.55 113.73 2xdi n ASP 46 Ca 0.55 0.32 -0.11 0.00 -1.51 0.00 0.00 54.79 54.04 2xdi n ASP 46 Cb 0.29 -4.85 -0.14 0.00 2.34 0.00 0.00 41.12 38.76 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2xdi h GLU 47 N 0.00 0.05 0.00 -0.67 4.57 -1.84 -2.42 114.58 114.26 2xdi h GLU 47 Ca -0.45 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 57.50 2xdi h GLU 47 Cb 1.36 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 2xdi h GLU 47 CO 0.61 0.64 -1.08 0.07 -1.18 0.00 0.00 179.01 178.06 2xdi h ARG 48 N 0.01 0.00 0.06 1.92 -0.00 -1.87 -2.13 114.38 112.38 2xdi h ARG 48 Ca -0.29 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.49 2xdi h ARG 48 Cb 2.01 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 32.00 2xdi h ARG 48 CO 0.09 0.40 -0.80 1.49 -0.00 0.00 0.00 179.97 181.14 2xdi h GLU 49 N 0.00 0.43 -0.08 0.08 4.81 -1.94 -2.33 114.58 115.55 2xdi h GLU 49 Ca -0.10 -0.55 -0.15 0.00 -0.13 0.00 0.00 59.36 58.43 2xdi h GLU 49 Cb 1.53 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.07 2xdi h GLU 49 CO 0.06 1.20 -0.61 0.00 -0.73 0.00 0.00 179.01 178.94 2xdi h ALA 50 N 0.25 0.82 0.06 2.92 0.00 -1.54 -0.80 119.26 120.96 2xdi h ALA 50 Ca -0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2xdi h ALA 50 Cb 1.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2xdi h ALA 50 CO 0.15 0.73 -0.03 -0.07 0.00 0.00 0.00 179.25 180.03 2xdi h LEU 51 N 0.21 -0.06 -1.99 0.00 -0.00 -1.42 -1.68 115.31 110.37 2xdi h LEU 51 Ca -0.01 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.18 2xdi h LEU 51 Cb 1.12 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.75 2xdi h LEU 51 CO 0.10 -0.04 0.77 1.23 -0.00 0.00 0.00 178.44 180.49 2xdi h GLY 52 N -0.09 0.02 0.99 0.83 0.00 -1.51 0.53 103.07 103.83 2xdi h GLY 52 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2xdi h GLY 52 CO 0.01 -0.00 0.34 -0.84 0.00 0.00 0.00 176.54 176.05 2xdi h THR 53 N 0.01 1.18 -0.08 4.70 2.02 -0.83 -2.20 112.91 117.70 2xdi h THR 53 Ca 0.51 -0.43 -0.24 0.00 0.77 0.00 0.00 66.41 67.02 2xdi h THR 53 Cb 2.03 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2xdi h THR 53 CO -0.01 0.19 -0.87 -0.09 0.37 0.00 0.00 175.52 175.11 2xdi h ARG 54 N 0.79 0.74 -0.95 6.66 2.43 0.94 -1.87 114.38 123.12 2xdi h ARG 54 Ca 0.21 -0.68 0.19 0.00 -0.81 0.00 0.00 59.98 58.89 2xdi h ARG 54 Cb 0.01 0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 29.62 2xdi h ARG 54 CO -0.04 1.28 0.53 0.28 -1.51 0.00 0.00 179.97 180.51 2xdi h VAL 55 N 0.44 0.66 0.02 0.20 2.07 -0.89 0.12 116.25 118.88 2xdi h VAL 55 Ca -0.09 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2xdi h VAL 55 Cb 1.52 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2xdi h VAL 55 CO 0.18 0.12 -0.01 -0.09 0.02 0.00 0.00 177.57 177.78 2xdi h ARG 56 N 0.65 -0.03 -0.89 1.57 2.43 -1.38 -2.74 114.38 113.99 2xdi h ARG 56 Ca 0.56 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.97 2xdi h ARG 56 Cb 0.90 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.32 2xdi h ARG 56 CO -0.41 0.39 0.26 0.82 -1.51 0.00 0.00 179.97 179.52 2xdi h ILE 57 N -0.99 0.30 0.43 1.20 2.04 -0.97 1.68 117.51 121.20 2xdi h ILE 57 Ca -0.00 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2xdi h ILE 57 Cb 0.44 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2xdi h ILE 57 CO 0.01 0.04 -0.21 0.58 0.00 0.00 0.00 178.15 178.57 2xdi h VAL 58 N 0.20 0.51 -0.84 1.67 2.07 -0.86 0.12 116.25 119.12 2xdi h VAL 58 Ca 0.57 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2xdi h VAL 58 Cb 1.17 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2xdi h VAL 58 CO -0.66 0.07 0.44 -0.08 0.02 0.00 0.00 177.57 177.36 2xdi h GLU 59 N -0.85 1.18 0.00 1.57 4.81 -0.81 -0.45 114.58 120.04 2xdi h GLU 59 Ca -0.06 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2xdi h GLU 59 Cb 0.56 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2xdi h GLU 59 CO 0.10 0.88 0.00 1.49 -0.73 0.00 0.00 179.01 180.75 2xdi h GLU 60 N 1.18 0.00 0.05 1.92 4.57 0.25 1.11 114.58 123.66 2xdi h GLU 60 Ca 0.29 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.20 2xdi h GLU 60 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2xdi h GLU 60 CO -0.04 0.00 -1.45 -0.07 -1.18 0.00 0.00 179.01 176.26 2xdi h LEU 61 N 0.00 0.16 -0.11 1.64 -0.00 0.86 2.81 115.31 120.67 2xdi h LEU 61 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2xdi h LEU 61 Cb 0.43 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2xdi h LEU 61 CO 0.00 1.20 -0.61 -0.11 -0.00 0.00 0.00 178.44 178.92 2xdi n LEU 62 N -3.30 0.79 -2.32 1.67 7.94 -0.72 -4.49 117.00 116.57 2xdi n LEU 62 Ca -0.12 -0.21 -0.02 0.00 -1.11 0.00 0.00 56.01 54.54 2xdi n LEU 62 Cb 1.02 -0.15 0.09 0.00 0.53 0.00 0.00 43.42 44.91 2xdi n LEU 62 CO 0.47 0.18 0.55 -1.14 -1.11 0.00 0.00 177.39 176.34 2xdi n ARG 63 N -1.32 1.03 -2.70 1.96 3.00 0.38 -4.99 116.66 114.03 2xdi n ARG 63 Ca 0.06 -0.99 -0.06 0.00 -0.00 0.00 0.00 57.85 56.86 2xdi n ARG 63 Cb 0.34 0.37 0.08 0.00 0.00 0.00 0.00 32.46 33.26 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 64 N -1.17 1.52 1.01 5.14 0.00 0.94 -4.56 105.19 108.07 2xdi n GLY 64 Ca -0.16 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.53 2.95 0.00 1.61 1.02 -1.12 -3.66 120.64 120.91 2xdi n GLU 65 Ca 0.00 -2.42 0.13 0.00 -0.02 0.00 0.00 57.16 54.86 2xdi n GLU 65 Cb 0.84 -1.49 0.70 0.00 -0.02 0.00 0.00 31.44 31.47 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 0.88 0.44 0.00 3.49 2.81 -1.26 -4.41 117.12 119.06 2xdi n MET 66 Ca 0.18 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2xdi n MET 66 Cb 0.58 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2xdi n SER 67 N -1.26 0.00 -0.06 7.83 2.88 -1.26 -4.81 113.62 116.95 2xdi n SER 67 Ca 0.14 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.92 2xdi n SER 67 Cb 0.20 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.24 2xdi n SER 67 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2xdi h GLN 68 N 0.00 0.00 -0.02 -1.46 5.75 -1.78 1.90 115.11 119.51 2xdi h GLN 68 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2xdi h GLN 68 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2xdi h GLN 68 CO 0.00 0.00 -0.21 -2.13 -2.65 0.00 0.00 178.83 173.84 2xdi n ARG 69 N -3.41 1.57 -0.10 1.69 0.63 -1.26 -3.25 116.66 112.54 2xdi n ARG 69 Ca 0.15 -1.16 -0.11 0.00 -0.92 0.00 0.00 57.85 55.81 2xdi n ARG 69 Cb 1.11 -1.33 -0.14 0.00 0.45 0.00 0.00 32.46 32.54 2xdi n ARG 69 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2xdi n GLU 70 N 0.38 0.79 -0.08 -0.14 -0.58 0.63 -4.10 120.64 117.53 2xdi n GLU 70 Ca 0.09 0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.77 2xdi n GLU 70 Cb 0.40 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.65 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2xdi n LEU 71 N -2.83 0.25 -0.10 -4.62 4.77 0.03 -4.30 117.00 110.19 2xdi n LEU 71 Ca -0.34 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 55.78 2xdi n LEU 71 Cb 1.09 0.31 0.85 0.00 -2.33 0.00 0.00 43.42 43.34 2xdi n LEU 71 CO 0.37 0.45 1.05 1.17 -1.33 0.00 0.00 177.39 179.10 2xdi n LYS 72 N -2.65 1.10 0.07 3.23 3.00 -1.20 -3.46 118.16 118.23 2xdi n LYS 72 Ca -0.28 -0.20 0.10 0.00 -0.00 0.00 0.00 58.31 57.93 2xdi n LYS 72 Cb 1.03 -1.50 0.41 0.00 0.00 0.00 0.00 35.03 34.97 2xdi n LYS 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2xdi n ASN 73 N -0.78 0.35 -0.45 3.14 2.85 -1.26 0.13 115.26 119.24 2xdi n ASN 73 Ca 0.22 0.58 0.12 0.00 -0.11 0.00 0.00 54.58 55.40 2xdi n ASN 73 Cb 0.17 -0.66 0.19 0.00 1.24 0.00 0.00 39.78 40.72 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2xdi n GLU 74 N -1.89 1.23 0.00 1.20 2.13 -1.23 -4.13 120.64 117.95 2xdi n GLU 74 Ca 0.03 -0.91 0.00 0.00 0.66 0.00 0.00 57.16 56.94 2xdi n GLU 74 Cb 0.21 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2xdi n GLU 74 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2xdi n PHE 75 N -0.10 0.00 0.00 4.31 3.01 -0.40 -5.07 117.46 119.22 2xdi n PHE 75 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2xdi n PHE 75 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xdi n GLY 76 N 0.43 0.44 3.53 1.37 0.00 0.34 -4.83 105.19 106.48 2xdi n GLY 76 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi n ALA 77 N 0.00 0.71 -1.54 4.61 0.00 -0.16 -0.54 120.51 123.59 2xdi n ALA 77 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 53.44 52.57 2xdi n ALA 77 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 19.45 16.46 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 6.17 1.79 0.00 0.00 0.00 -1.26 -4.79 105.19 107.10 2xdi n GLY 78 Ca 0.45 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.37 1.51 0.00 -0.61 3.06 0.30 0.07 119.36 121.32 2xdi n ILE 79 Ca -0.19 0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 2xdi n ILE 79 Cb 0.65 -1.26 0.00 0.00 0.54 0.00 0.00 39.64 39.57 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2xdi n ALA 80 N -1.49 1.47 0.31 1.51 0.00 -1.26 -4.66 120.51 116.39 2xdi n ALA 80 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.53 2xdi n ALA 80 Cb 0.08 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 2xdi n ALA 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2xdi n THR 81 N -1.16 0.00 0.05 0.00 5.66 -1.12 -3.58 114.28 114.13 2xdi n THR 81 Ca 0.00 -0.25 -0.19 0.00 -3.05 0.00 0.00 64.05 60.56 2xdi n THR 81 Cb 0.07 0.57 -0.14 0.00 -1.55 0.00 0.00 70.33 69.27 2xdi n THR 81 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 2xdi h ILE 82 N 0.00 0.95 -0.01 1.09 2.10 -0.66 -3.35 117.51 117.62 2xdi h ILE 82 Ca 0.00 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.34 2xdi h ILE 82 Cb 0.49 2.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.90 2xdi h ILE 82 CO 0.00 0.82 -0.52 0.35 -1.08 0.00 0.00 178.15 177.72 2xdi n THR 83 N -3.47 0.00 0.00 2.19 -2.24 -1.24 -4.69 114.28 104.83 2xdi n THR 83 Ca -0.22 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2xdi n THR 83 Cb 1.06 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2xdi n ARG 84 N -0.32 0.00 -3.21 -0.78 0.63 -1.23 -3.81 116.66 107.93 2xdi n ARG 84 Ca 0.09 0.14 -0.46 0.00 -0.92 0.00 0.00 57.85 56.70 2xdi n ARG 84 Cb 0.43 -0.70 -0.02 0.00 0.45 0.00 0.00 32.46 32.62 2xdi n ARG 84 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2xdi s GLY 85 N 0.00 2.50 -1.03 5.14 0.00 -1.26 -4.94 107.32 107.74 2xdi s GLY 85 Ca 0.00 -3.22 -0.14 0.00 0.00 0.00 0.00 44.72 41.36 2xdi s GLY 85 CO 0.00 1.49 2.15 -1.14 0.00 0.00 0.00 173.10 175.60 2xdi n SER 86 N 4.61 4.21 -4.71 1.64 3.41 -1.25 -4.90 113.62 116.63 2xdi n SER 86 Ca 0.18 -2.58 -0.41 0.00 -0.26 0.00 0.00 58.87 55.80 2xdi n SER 86 Cb 0.47 -1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.14 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2xdi s ASN 87 N 3.87 7.18 0.00 4.04 0.02 -1.26 -5.01 114.94 123.78 2xdi s ASN 87 Ca 0.51 1.43 0.00 0.00 -1.02 0.00 0.00 52.86 53.78 2xdi s ASN 87 Cb 0.13 -2.50 0.00 0.00 0.02 0.00 0.00 41.25 38.90 2xdi s ASN 87 CO 0.01 -0.24 0.00 -1.54 0.02 0.00 0.00 177.10 175.36 2xdi n SER 88 N 4.09 0.00 -0.14 -1.22 3.41 -1.26 -4.81 113.62 113.70 2xdi n SER 88 Ca 0.03 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 58.91 2xdi n SER 88 Cb 0.51 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.96 2xdi n SER 88 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2xdi h LEU 89 N 0.00 0.00 0.00 1.04 6.46 -1.95 2.28 115.31 123.15 2xdi h LEU 89 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2xdi h LEU 89 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2xdi h LEU 89 CO 0.00 0.00 0.00 1.17 -0.62 0.00 0.00 178.44 178.99 2xdi n LYS 90 N -3.34 0.08 0.00 1.25 3.00 -1.26 -2.65 118.16 115.25 2xdi n LYS 90 Ca 0.19 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 2xdi n LYS 90 Cb 1.32 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.85 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2xdi n ALA 91 N -1.41 1.09 -2.73 3.14 0.00 0.76 -5.06 120.51 116.29 2xdi n ALA 91 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 2xdi n ALA 91 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.08 -2.69 -0.06 0.00 0.00 -0.77 -4.79 120.51 112.11 2xdi n ALA 92 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 2xdi n ALA 92 Cb 0.28 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 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 1.07 0.52 0.00 0.00 0.13 -1.87 -1.85 132.00 130.00 2xdi h PRO 93 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2xdi h PRO 93 Cb 0.92 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2xdi h PRO 93 CO 0.21 0.91 0.13 0.28 -0.23 0.00 0.00 178.00 179.30 2xdi h VAL 94 N 0.18 0.00 0.16 1.56 2.07 -1.93 0.70 116.25 119.00 2xdi h VAL 94 Ca 0.02 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.28 2xdi h VAL 94 Cb 0.85 0.84 0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2xdi h VAL 94 CO 0.06 0.00 -1.20 -0.33 0.02 0.00 0.00 177.57 176.12 2xdi h GLU 95 N 0.00 0.35 -0.23 1.57 5.08 -1.70 -2.59 114.58 117.05 2xdi h GLU 95 Ca 0.00 -0.59 -0.07 0.00 -1.00 0.00 0.00 59.36 57.70 2xdi h GLU 95 Cb 0.27 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2xdi h GLU 95 CO 0.00 1.28 -0.14 1.25 -1.00 0.00 0.00 179.01 180.40 2xdi h LEU 96 N -0.20 0.52 -1.41 1.33 7.12 0.01 -2.70 115.31 119.99 2xdi h LEU 96 Ca -0.23 -0.43 0.05 0.00 0.13 0.00 0.00 57.88 57.40 2xdi h LEU 96 Cb 1.83 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 41.77 2xdi h LEU 96 CO 0.16 0.84 0.44 -0.09 -0.13 0.00 0.00 178.44 179.66 2xdi h ARG 97 N 0.21 0.73 0.08 1.25 2.43 0.15 -2.02 114.38 117.21 2xdi h ARG 97 Ca 0.05 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2xdi h ARG 97 Cb 0.65 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2xdi h ARG 97 CO 0.04 0.48 -0.11 1.96 -1.51 0.00 0.00 179.97 180.83 2xdi h GLN 98 N 0.75 -0.22 -0.68 0.20 1.08 -1.15 -0.38 115.11 114.71 2xdi h GLN 98 Ca 0.28 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.63 2xdi h GLN 98 Cb 0.15 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.54 2xdi h GLN 98 CO -0.08 -0.15 0.19 2.35 -0.95 0.00 0.00 178.83 180.20 2xdi h TRP 99 N -0.23 0.32 -0.96 2.96 -0.00 -1.09 0.59 115.95 117.54 2xdi h TRP 99 Ca 0.01 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.96 2xdi h TRP 99 Cb 0.23 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 29.31 2xdi h TRP 99 CO -0.13 -0.02 0.63 -0.07 -0.00 0.00 0.00 178.44 178.86 2xdi h LEU 100 N 0.32 1.07 -0.88 0.65 3.38 -1.12 -1.04 115.31 117.69 2xdi h LEU 100 Ca 0.37 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.39 2xdi h LEU 100 Cb 0.58 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2xdi h LEU 100 CO -0.43 0.76 0.54 -0.08 0.09 0.00 0.00 178.44 179.32 2xdi h GLU 101 N 1.25 0.96 -0.57 1.13 4.81 0.18 0.54 114.58 122.88 2xdi h GLU 101 Ca 0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2xdi h GLU 101 Cb -0.07 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 2xdi h GLU 101 CO -0.10 0.63 0.37 0.93 -0.73 0.00 0.00 179.01 180.12 2xdi h GLU 102 N 0.98 0.75 0.00 1.92 5.08 0.21 2.43 114.58 125.96 2xdi h GLU 102 Ca 0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2xdi h GLU 102 Cb 0.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2xdi h GLU 102 CO -0.18 0.50 0.00 0.28 -1.00 0.00 0.00 179.01 178.61 2xdi n VAL 103 N -4.68 0.66 -0.06 3.13 0.31 -0.51 -0.64 118.33 116.54 2xdi n VAL 103 Ca 0.04 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 2xdi n VAL 103 Cb 0.02 -0.83 -0.13 0.00 -0.91 0.00 0.00 33.84 31.99 2xdi n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2xdi n LEU 104 N -2.12 2.28 -1.84 7.52 7.99 0.18 -4.06 117.00 126.95 2xdi n LEU 104 Ca 0.04 0.08 0.06 0.00 -0.01 0.00 0.00 56.01 56.18 2xdi n LEU 104 Cb 0.32 -0.71 0.38 0.00 -0.11 0.00 0.00 43.42 43.30 2xdi n LEU 104 CO 0.25 0.80 0.85 0.00 -1.51 0.00 0.00 177.39 177.78 2xdi n LEU 105 N -3.27 5.54 -4.57 2.23 -0.00 0.79 -4.91 117.00 112.81 2xdi n LEU 105 Ca -0.36 -2.82 -0.39 0.00 -0.00 0.00 0.00 56.01 52.45 2xdi n LEU 105 Cb 1.04 -0.68 -0.03 0.00 -0.00 0.00 0.00 43.42 43.75 2xdi n LEU 105 CO 0.37 0.62 1.85 -0.75 -0.00 0.00 0.00 177.39 179.48 2xdi s LYS 106 N -2.69 2.58 -0.35 1.47 2.20 0.19 -4.81 119.74 118.34 2xdi s LYS 106 Ca 0.52 1.42 0.06 0.00 -0.36 0.00 0.00 55.97 57.61 2xdi s LYS 106 Cb 0.40 -4.45 0.46 0.00 -1.51 0.00 0.00 37.83 32.72 2xdi s LYS 106 CO 0.15 -2.74 1.33 -1.13 -0.36 0.00 0.00 175.35 172.60 2xdi n SER 107 N 13.69 5.21 0.00 1.43 3.41 -1.26 -5.06 113.62 131.04 2xdi n SER 107 Ca 0.31 -3.76 0.15 0.00 -0.26 0.00 0.00 58.87 55.31 2xdi n SER 107 Cb 0.51 -0.45 0.91 0.00 -0.26 0.00 0.00 64.21 64.92 2xdi n SER 107 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98