#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi h SER 5 N 0.00 -0.14 0.24 1.08 0.02 -1.93 -2.91 113.55 109.90 2xdi h SER 5 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2xdi h SER 5 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2xdi h SER 5 CO 0.00 0.45 0.00 -0.81 -1.14 0.00 0.00 176.83 175.33 2xdi n PRO 6 N -4.86 0.42 0.00 3.45 -0.04 -1.26 -4.00 135.00 128.70 2xdi n PRO 6 Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2xdi n PRO 6 Cb 0.22 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2xdi n PRO 6 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2xdi n TYR 7 N -1.18 0.00 -3.33 0.54 4.01 -1.23 -4.98 117.16 110.98 2xdi n TYR 7 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 2xdi n TYR 7 Cb 0.13 -0.06 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 2xdi n TYR 7 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2xdi s SER 8 N -2.44 0.71 -0.34 7.72 1.04 -1.10 -4.95 113.70 114.34 2xdi s SER 8 Ca 0.00 -1.30 0.08 0.00 0.48 0.00 0.00 55.95 55.22 2xdi s SER 8 Cb 0.00 0.82 0.32 0.00 0.10 0.00 0.00 66.02 67.26 2xdi s SER 8 CO 0.00 -0.26 1.31 0.00 0.98 0.00 0.00 173.24 175.27 2xdi n ALA 9 N 4.44 0.96 -3.81 5.32 0.00 -1.24 -4.53 120.51 121.64 2xdi n ALA 9 Ca 0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 2xdi n ALA 9 Cb 0.47 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 0.14 1.60 0.00 0.00 0.00 -1.26 -4.97 121.76 117.26 2xdi s ALA 10 Ca 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2xdi s ALA 10 Cb 0.34 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2xdi s ALA 10 CO -0.08 -1.39 0.00 -0.12 0.00 0.00 0.00 175.76 174.17 2xdi n MET 11 N 4.81 0.00 -3.09 0.00 1.56 -1.26 -4.89 117.12 114.25 2xdi n MET 11 Ca -0.07 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.17 2xdi n MET 11 Cb 0.44 -0.45 -0.03 0.00 2.15 0.00 0.00 33.22 35.33 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2xdi n ALA 12 N -2.47 2.68 1.39 -5.12 0.00 -1.26 -4.87 120.51 110.86 2xdi n ALA 12 Ca 0.00 -3.65 0.14 0.00 0.00 0.00 0.00 53.44 49.94 2xdi n ALA 12 Cb 0.00 -0.88 0.69 0.00 0.00 0.00 0.00 19.45 19.25 2xdi n ALA 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2xdi n GLU 13 N 0.14 0.49 0.00 0.00 0.28 -1.26 -3.91 120.64 116.38 2xdi n GLU 13 Ca 0.25 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 2xdi n GLU 13 Cb 0.62 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.99 2xdi n GLU 13 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2xdi n GLN 14 N -1.19 3.57 -1.54 3.44 6.02 -1.26 -4.99 117.38 121.44 2xdi n GLN 14 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 2xdi n GLN 14 Cb 0.26 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.53 2xdi n GLN 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xdi n ARG 15 N -1.85 -1.47 0.24 -1.09 3.00 -1.25 -4.74 116.66 109.50 2xdi n ARG 15 Ca 0.00 0.55 0.10 0.00 -0.01 0.00 0.00 57.85 58.49 2xdi n ARG 15 Cb 0.45 -4.82 0.62 0.00 0.00 0.00 0.00 32.46 28.71 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2xdi h HIS 16 N 0.00 0.00 -0.51 -1.55 2.76 -1.94 -2.68 115.15 111.23 2xdi h HIS 16 Ca -0.21 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.85 2xdi h HIS 16 Cb 0.75 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 2xdi h HIS 16 CO 0.37 0.17 -0.11 0.37 -1.30 0.00 0.00 177.93 177.44 2xdi h GLN 17 N 0.00 0.98 0.00 5.26 4.15 -2.02 -1.59 115.11 121.89 2xdi h GLN 17 Ca -0.00 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2xdi h GLN 17 Cb 0.40 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2xdi h GLN 17 CO 0.02 1.04 0.00 0.39 -1.93 0.00 0.00 178.83 178.35 2xdi n GLU 18 N -4.19 0.23 0.01 1.69 1.02 -1.02 -2.76 120.64 115.63 2xdi n GLU 18 Ca 0.01 0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 2xdi n GLU 18 Cb 0.40 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2xdi h TRP 19 N 0.00 0.40 -0.62 -0.32 2.91 -1.24 -2.53 115.95 114.56 2xdi h TRP 19 Ca 0.00 -0.29 -0.05 0.00 1.13 0.00 0.00 58.89 59.68 2xdi h TRP 19 Cb 0.18 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 2xdi h TRP 19 CO 0.00 1.42 0.21 -0.07 -1.03 0.00 0.00 178.44 178.96 2xdi h LEU 20 N -0.44 0.89 -0.98 0.65 3.38 -1.36 1.51 115.31 118.95 2xdi h LEU 20 Ca -0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2xdi h LEU 20 Cb 1.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2xdi h LEU 20 CO 0.06 0.85 0.07 0.03 0.09 0.00 0.00 178.44 179.55 2xdi h ARG 21 N 0.88 0.82 0.00 1.13 3.08 -1.63 1.20 114.38 119.85 2xdi h ARG 21 Ca 0.20 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 2xdi h ARG 21 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2xdi h ARG 21 CO -0.01 0.77 -0.78 0.35 -1.07 0.00 0.00 179.97 179.24 2xdi h PHE 22 N 0.78 0.00 0.10 3.04 -0.00 -0.95 0.81 116.94 120.71 2xdi h PHE 22 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 57.85 2xdi h PHE 22 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.33 2xdi h PHE 22 CO 0.02 0.67 -1.19 0.28 -0.00 0.00 0.00 178.31 178.09 2xdi h VAL 23 N 0.00 1.35 0.02 1.41 2.07 0.28 -1.59 116.25 119.80 2xdi h VAL 23 Ca -0.03 -2.59 -0.24 0.00 0.82 0.00 0.00 66.70 64.66 2xdi h VAL 23 Cb 1.54 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.97 2xdi h VAL 23 CO 0.08 0.78 -1.20 -0.78 0.02 0.00 0.00 177.57 176.47 2xdi h ASP 24 N 0.22 0.08 -0.18 0.57 3.58 0.14 -1.65 116.42 119.19 2xdi h ASP 24 Ca -0.16 -0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.02 2xdi h ASP 24 Cb 1.86 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.89 2xdi h ASP 24 CO 0.22 1.08 -0.58 0.25 -2.88 0.00 0.00 179.24 177.32 2xdi h LEU 25 N 0.01 0.81 0.12 2.28 6.46 -0.90 0.13 115.31 124.23 2xdi h LEU 25 Ca -0.09 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.06 2xdi h LEU 25 Cb 1.86 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 2xdi h LEU 25 CO 0.13 1.27 -0.06 0.25 -0.62 0.00 0.00 178.44 179.41 2xdi h LEU 26 N 0.40 -0.14 -1.21 2.25 5.85 -1.35 0.54 115.31 121.65 2xdi h LEU 26 Ca -0.02 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2xdi h LEU 26 Cb 1.20 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 2xdi h LEU 26 CO 0.12 0.18 0.57 0.07 -0.34 0.00 0.00 178.44 179.04 2xdi h LYS 27 N -0.47 0.88 -0.07 1.25 5.09 -1.32 0.63 116.57 122.57 2xdi h LYS 27 Ca -0.02 -0.05 -0.09 0.00 0.09 0.00 0.00 60.65 60.58 2xdi h LYS 27 Cb 0.38 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 2xdi h LYS 27 CO 0.03 0.58 -0.38 -0.91 -2.09 0.00 0.00 179.45 176.68 2xdi h ASN 28 N 0.91 0.14 0.68 7.07 2.35 -0.28 -2.01 115.58 124.45 2xdi h ASN 28 Ca 0.39 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.90 2xdi h ASN 28 Cb 0.34 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2xdi h ASN 28 CO -0.16 0.52 -0.87 0.00 -1.65 0.00 0.00 177.43 175.26 2xdi h ALA 29 N 1.49 0.54 0.00 -0.83 0.00 0.46 -2.49 119.26 118.43 2xdi h ALA 29 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2xdi h ALA 29 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2xdi h ALA 29 CO 0.05 0.97 0.00 1.88 0.00 0.00 0.00 179.25 182.15 2xdi h TYR 30 N 0.07 0.00 0.12 0.00 0.99 0.39 -2.30 116.97 116.24 2xdi h TYR 30 Ca -0.03 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.35 2xdi h TYR 30 Cb 1.51 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.23 2xdi h TYR 30 CO 0.02 0.00 -1.86 0.37 -0.00 0.00 0.00 178.16 176.69 2xdi h GLN 31 N 0.00 0.25 0.00 4.88 4.15 -1.23 -3.33 115.11 119.83 2xdi h GLN 31 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2xdi h GLN 31 Cb 0.64 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2xdi h GLN 31 CO 0.00 1.20 0.00 0.09 -1.93 0.00 0.00 178.83 178.19 2xdi n ASN 32 N -3.63 0.00 -2.43 -0.69 4.13 -0.95 -4.92 115.26 106.77 2xdi n ASN 32 Ca -0.31 0.50 -0.09 0.00 1.68 0.00 0.00 54.58 56.36 2xdi n ASN 32 Cb 1.00 -0.50 0.05 0.00 -1.54 0.00 0.00 39.78 38.79 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2xdi n ASP 33 N -1.50 -3.07 -0.38 6.41 -0.08 -0.91 -4.95 116.55 112.07 2xdi n ASP 33 Ca 0.06 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 2xdi n ASP 33 Cb 0.28 -3.17 0.00 0.00 2.34 0.00 0.00 41.12 40.58 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xdi n LEU 34 N -2.67 0.00 -0.31 -2.67 -0.00 -0.93 -4.82 117.00 105.61 2xdi n LEU 34 Ca -0.12 -0.77 0.11 0.00 -0.00 0.00 0.00 56.01 55.23 2xdi n LEU 34 Cb 0.59 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.49 2xdi n LEU 34 CO 0.34 0.27 0.83 0.00 -0.00 0.00 0.00 177.39 178.83 2xdi n HIS 35 N 0.00 0.10 -0.26 1.47 1.44 -1.22 -4.25 115.22 112.51 2xdi n HIS 35 Ca 0.00 -0.05 0.05 0.00 -2.01 0.00 0.00 57.72 55.71 2xdi n HIS 35 Cb 0.63 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.90 2xdi n HIS 35 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2xdi h LEU 36 N 1.25 -0.35 -0.01 2.39 3.38 -1.91 1.60 115.31 121.66 2xdi h LEU 36 Ca 0.00 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2xdi h LEU 36 Cb 0.27 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2xdi h LEU 36 CO 0.00 -0.18 -0.01 1.55 0.09 0.00 0.00 178.44 179.90 2xdi h PRO 37 N 0.10 0.03 0.00 1.13 0.13 -2.01 -1.73 132.00 129.66 2xdi h PRO 37 Ca 0.41 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.53 2xdi h PRO 37 Cb 0.72 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2xdi h PRO 37 CO -0.66 0.41 0.00 -0.11 -0.23 0.00 0.00 178.00 177.41 2xdi n LEU 38 N -4.88 0.07 0.04 1.56 0.00 -0.58 -1.25 117.00 111.95 2xdi n LEU 38 Ca -0.08 0.52 -0.21 0.00 0.00 0.00 0.00 56.01 56.24 2xdi n LEU 38 Cb 0.21 -0.51 -0.14 0.00 0.00 0.00 0.00 43.42 42.98 2xdi n LEU 38 CO 0.34 -0.28 -0.16 0.25 0.00 0.00 0.00 177.39 177.54 2xdi h LEU 39 N 0.00 0.45 -0.05 -1.96 5.85 0.28 -1.20 115.31 118.68 2xdi h LEU 39 Ca 0.00 -0.91 -0.25 0.00 0.84 0.00 0.00 57.88 57.56 2xdi h LEU 39 Cb 0.27 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.16 2xdi h LEU 39 CO 0.00 1.50 -1.04 -1.13 -0.34 0.00 0.00 178.44 177.43 2xdi h ASN 40 N -0.33 0.72 0.01 1.25 -0.73 -1.10 1.46 115.58 116.86 2xdi h ASN 40 Ca -0.21 -0.60 -0.09 0.00 1.87 0.00 0.00 56.30 57.27 2xdi h ASN 40 Cb 1.71 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 40.07 2xdi h ASN 40 CO 0.12 1.40 -0.25 0.25 -0.37 0.00 0.00 177.43 178.58 2xdi h LEU 41 N 0.29 0.38 0.06 0.34 5.85 -1.30 -2.97 115.31 117.96 2xdi h LEU 41 Ca -0.12 -0.12 -0.30 0.00 0.84 0.00 0.00 57.88 58.18 2xdi h LEU 41 Cb 1.69 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 2xdi h LEU 41 CO 0.19 0.63 -1.60 -0.03 -0.34 0.00 0.00 178.44 177.29 2xdi h MET 42 N 0.34 0.13 -5.26 1.25 4.05 -1.09 -3.45 114.93 110.90 2xdi h MET 42 Ca 0.05 -0.23 -0.65 0.00 -0.28 0.00 0.00 59.70 58.59 2xdi h MET 42 Cb 0.62 0.08 -0.26 0.00 -0.80 0.00 0.00 31.60 31.25 2xdi h MET 42 CO 0.04 0.89 -0.74 -0.48 0.23 0.00 0.00 176.91 176.86 2xdi s LEU 43 N -6.64 2.87 0.00 3.39 0.05 0.50 -4.64 118.68 114.21 2xdi s LEU 43 Ca -0.08 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 53.80 2xdi s LEU 43 Cb 0.08 -1.67 0.00 0.00 -2.05 0.00 0.00 46.19 42.54 2xdi s LEU 43 CO 0.83 0.14 0.00 0.41 -0.55 0.00 0.00 176.35 177.17 2xdi n THR 44 N 3.74 0.00 0.00 5.48 -1.04 -1.26 -4.29 114.28 116.91 2xdi n THR 44 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2xdi n THR 44 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 -0.00 -2.82 -0.04 -1.26 -4.87 135.00 126.01 2xdi n PRO 45 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2xdi n PRO 45 Cb 0.00 -0.09 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 2xdi n PRO 45 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2xdi n ASP 46 N 0.00 2.76 0.11 3.54 5.75 -1.26 -4.46 116.55 123.00 2xdi n ASP 46 Ca 0.00 -0.20 -0.17 0.00 -0.01 0.00 0.00 54.79 54.42 2xdi n ASP 46 Cb 0.00 1.13 -0.10 0.00 -1.03 0.00 0.00 41.12 41.12 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2xdi h GLU 47 N 0.00 -0.73 0.00 0.11 4.57 -1.89 2.38 114.58 119.01 2xdi h GLU 47 Ca 0.00 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2xdi h GLU 47 Cb 0.17 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2xdi h GLU 47 CO 0.00 -0.49 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.17 2xdi h ARG 48 N -0.76 0.00 -0.03 1.92 1.12 -1.84 0.58 114.38 115.37 2xdi h ARG 48 Ca -0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2xdi h ARG 48 Cb 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2xdi h ARG 48 CO -0.29 0.08 -0.12 1.49 -3.11 0.00 0.00 179.97 178.02 2xdi h GLU 49 N 0.00 0.13 0.00 0.20 4.22 -0.85 -2.61 114.58 115.67 2xdi h GLU 49 Ca -0.00 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 59.22 2xdi h GLU 49 Cb 0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2xdi h GLU 49 CO 0.01 0.75 -0.57 0.00 -2.18 0.00 0.00 179.01 177.02 2xdi h ALA 50 N 0.38 0.86 0.05 2.92 0.00 0.43 -2.26 119.26 121.64 2xdi h ALA 50 Ca -0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2xdi h ALA 50 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2xdi h ALA 50 CO 0.02 0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 179.90 2xdi h LEU 51 N 0.00 -0.05 -1.60 0.00 -0.00 0.13 -1.95 115.31 111.85 2xdi h LEU 51 Ca -0.01 0.00 0.29 0.00 -0.00 0.00 0.00 57.88 58.16 2xdi h LEU 51 Cb 1.15 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 2xdi h LEU 51 CO 0.07 -0.03 0.72 1.23 -0.00 0.00 0.00 178.44 180.43 2xdi h GLY 52 N -0.08 0.77 0.64 0.83 0.00 -1.57 0.32 103.07 103.98 2xdi h GLY 52 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.25 2xdi h GLY 52 CO 0.01 -0.09 0.27 -0.84 0.00 0.00 0.00 176.54 175.90 2xdi h THR 53 N 0.25 0.92 -0.19 4.70 2.02 -1.18 -2.25 112.91 117.17 2xdi h THR 53 Ca 0.57 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.55 2xdi h THR 53 Cb 1.73 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2xdi h THR 53 CO -0.19 0.09 0.03 0.03 0.37 0.00 0.00 175.52 175.86 2xdi h ARG 54 N 0.52 0.32 -1.15 6.66 3.08 0.42 -1.00 114.38 123.22 2xdi h ARG 54 Ca 0.26 -0.09 0.33 0.00 0.07 0.00 0.00 59.98 60.55 2xdi h ARG 54 Cb 0.20 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 2xdi h ARG 54 CO -0.20 0.47 0.76 0.28 -1.07 0.00 0.00 179.97 180.22 2xdi h VAL 55 N 0.12 0.39 0.00 2.04 2.07 -1.00 -0.11 116.25 119.77 2xdi h VAL 55 Ca 0.06 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2xdi h VAL 55 Cb 0.31 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2xdi h VAL 55 CO 0.00 0.04 -0.12 -0.09 0.02 0.00 0.00 177.57 177.42 2xdi h ARG 56 N 0.24 0.00 -0.38 1.57 2.43 -0.93 -2.40 114.38 114.91 2xdi h ARG 56 Ca 0.65 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.90 2xdi h ARG 56 Cb 1.95 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.41 2xdi h ARG 56 CO -0.26 0.80 -0.33 0.82 -1.51 0.00 0.00 179.97 179.49 2xdi h ILE 57 N -1.00 0.23 -0.42 1.20 2.04 0.15 1.52 117.51 121.23 2xdi h ILE 57 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2xdi h ILE 57 Cb 0.84 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2xdi h ILE 57 CO -0.02 0.00 0.13 -0.37 0.00 0.00 0.00 178.15 177.89 2xdi h VAL 58 N -0.27 1.22 -0.25 1.67 -1.51 -1.23 0.18 116.25 116.07 2xdi h VAL 58 Ca 0.16 -0.73 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 2xdi h VAL 58 Cb 0.54 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2xdi h VAL 58 CO -0.52 0.26 0.08 -0.08 -1.23 0.00 0.00 177.57 176.07 2xdi h GLU 59 N 0.54 0.38 -0.32 5.19 4.81 -0.71 -2.65 114.58 121.83 2xdi h GLU 59 Ca 0.13 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2xdi h GLU 59 Cb 0.27 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2xdi h GLU 59 CO -0.00 0.46 -0.10 1.49 -0.73 0.00 0.00 179.01 180.13 2xdi h GLU 60 N 0.23 0.53 -0.17 1.92 4.81 0.22 -0.97 114.58 121.16 2xdi h GLU 60 Ca 0.08 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2xdi h GLU 60 Cb 0.23 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2xdi h GLU 60 CO -0.00 0.63 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.70 2xdi h LEU 61 N 0.50 -0.43 -1.49 1.64 3.38 -0.29 2.34 115.31 120.96 2xdi h LEU 61 Ca 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2xdi h LEU 61 Cb 0.47 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2xdi h LEU 61 CO 0.03 -0.17 -0.09 0.25 0.09 0.00 0.00 178.44 178.54 2xdi h LEU 62 N -0.14 0.00 0.10 1.67 6.46 -1.23 -3.04 115.31 119.13 2xdi h LEU 62 Ca 0.11 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.72 2xdi h LEU 62 Cb 0.30 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2xdi h LEU 62 CO -0.26 0.09 -0.66 -0.09 -0.62 0.00 0.00 178.44 176.90 2xdi h ARG 63 N 0.00 0.21 -4.44 1.25 2.43 0.98 -3.46 114.38 111.34 2xdi h ARG 63 Ca -0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 2xdi h ARG 63 Cb 0.54 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2xdi h ARG 63 CO 0.01 1.17 -0.01 0.41 -1.51 0.00 0.00 179.97 180.04 2xdi n GLY 64 N 1.65 -0.41 0.30 2.80 0.00 0.75 -4.59 105.19 105.69 2xdi n GLY 64 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2xdi n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2xdi n GLU 65 N -2.24 0.52 -0.17 1.61 0.28 -1.26 -4.36 120.64 115.01 2xdi n GLU 65 Ca -0.00 -1.39 0.05 0.00 -0.16 0.00 0.00 57.16 55.66 2xdi n GLU 65 Cb 0.42 -0.80 0.13 0.00 1.43 0.00 0.00 31.44 32.62 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 2xdi n MET 66 N -0.41 2.63 0.00 3.44 1.56 -1.26 -4.90 117.12 118.18 2xdi n MET 66 Ca 0.04 -2.17 0.00 0.00 -0.27 0.00 0.00 57.70 55.30 2xdi n MET 66 Cb 0.63 -1.36 0.00 0.00 2.15 0.00 0.00 33.22 34.64 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2xdi n SER 67 N -0.35 0.00 -0.33 6.12 2.88 -1.26 -4.97 113.62 115.71 2xdi n SER 67 Ca 0.11 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.95 2xdi n SER 67 Cb 0.52 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.53 2xdi n SER 67 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2xdi h GLN 68 N 0.00 0.12 -1.40 -1.46 4.20 -1.80 0.69 115.11 115.46 2xdi h GLN 68 Ca 0.00 -0.01 0.41 0.00 0.06 0.00 0.00 58.65 59.11 2xdi h GLN 68 Cb 0.00 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 2xdi h GLN 68 CO 0.00 0.08 0.98 0.00 -0.67 0.00 0.00 178.83 179.22 2xdi h ARG 69 N 0.12 0.06 0.00 1.46 3.08 -1.91 -0.58 114.38 116.61 2xdi h ARG 69 Ca 0.81 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.84 2xdi h ARG 69 Cb 2.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.11 2xdi h ARG 69 CO -0.69 0.04 -1.07 -1.91 -1.07 0.00 0.00 179.97 175.27 2xdi n GLU 70 N -4.26 0.96 -1.88 0.04 2.13 0.21 -4.74 120.64 113.11 2xdi n GLU 70 Ca 0.32 0.01 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 2xdi n GLU 70 Cb 1.44 -1.03 0.04 0.00 0.27 0.00 0.00 31.44 32.16 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2xdi n LEU 71 N -2.42 6.97 0.00 4.31 7.99 0.49 -4.65 117.00 129.70 2xdi n LEU 71 Ca -0.02 -4.77 0.10 0.00 -0.01 0.00 0.00 56.01 51.31 2xdi n LEU 71 Cb 0.53 -0.90 0.48 0.00 -0.11 0.00 0.00 43.42 43.42 2xdi n LEU 71 CO 0.01 1.79 0.83 1.17 -1.51 0.00 0.00 177.39 179.68 2xdi n LYS 72 N -0.63 0.15 -0.06 3.23 4.81 -0.24 -1.87 118.16 123.55 2xdi n LYS 72 Ca 0.53 0.12 -0.06 0.00 -0.87 0.00 0.00 58.31 58.02 2xdi n LYS 72 Cb 0.45 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.90 2xdi n LYS 72 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2xdi n ASN 73 N -1.39 2.02 -1.18 3.14 0.23 -1.26 -2.42 115.26 114.39 2xdi n ASN 73 Ca 0.08 -0.01 0.04 0.00 -0.53 0.00 0.00 54.58 54.16 2xdi n ASN 73 Cb 0.20 0.72 0.22 0.00 -2.08 0.00 0.00 39.78 38.85 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2xdi n GLU 74 N -2.50 2.96 0.00 -3.83 0.00 -1.19 -4.54 120.64 111.54 2xdi n GLU 74 Ca -0.21 -1.72 0.00 0.00 0.00 0.00 0.00 57.16 55.23 2xdi n GLU 74 Cb 0.89 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 30.52 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2xdi n PHE 75 N 0.43 0.00 -0.60 4.31 -0.00 -1.13 -4.92 117.46 115.54 2xdi n PHE 75 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 2xdi n PHE 75 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.18 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2xdi n GLY 76 N 0.00 -1.83 2.05 7.13 0.00 -0.78 -3.94 105.19 107.82 2xdi n GLY 76 Ca 0.00 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.00 -0.32 -3.25 4.61 0.00 -1.21 -0.80 120.51 116.55 2xdi n ALA 77 Ca 0.00 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 2xdi n ALA 77 Cb 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.35 -0.49 0.20 0.00 0.00 -1.25 -4.80 105.19 98.50 2xdi n GLY 78 Ca -0.13 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2xdi n GLY 78 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2xdi h ILE 79 N -0.84 0.02 0.00 -0.61 2.04 -1.09 -2.79 117.51 114.24 2xdi h ILE 79 Ca -0.41 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2xdi h ILE 79 Cb 1.27 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2xdi h ILE 79 CO 0.50 0.01 -0.63 0.00 0.00 0.00 0.00 178.15 178.04 2xdi n ALA 80 N -2.11 1.91 -0.05 1.87 0.00 -1.26 -4.61 120.51 116.26 2xdi n ALA 80 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2xdi n ALA 80 Cb 0.54 0.28 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 2xdi n ALA 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2xdi h THR 81 N 0.00 0.00 -0.53 0.00 2.02 -1.77 -2.55 112.91 110.08 2xdi h THR 81 Ca 0.00 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.29 2xdi h THR 81 Cb 0.63 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2xdi h THR 81 CO 0.00 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.64 2xdi h ILE 82 N -0.90 1.11 0.00 3.11 2.04 -1.90 -1.19 117.51 119.77 2xdi h ILE 82 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2xdi h ILE 82 Cb 0.10 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2xdi h ILE 82 CO 0.00 0.12 0.00 0.74 0.00 0.00 0.00 178.15 179.01 2xdi h THR 83 N 0.68 0.00 0.00 -0.27 2.02 -1.64 -3.19 112.91 110.51 2xdi h THR 83 Ca 0.20 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2xdi h THR 83 Cb -0.01 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2xdi h THR 83 CO -0.05 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.38 2xdi n ARG 84 N -2.55 0.00 0.00 6.66 5.12 -0.45 -4.64 116.66 120.80 2xdi n ARG 84 Ca 0.05 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2xdi n ARG 84 Cb 0.46 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xdi n GLY 85 N -0.14 0.41 3.58 -0.13 0.00 -1.26 -5.01 105.19 102.65 2xdi n GLY 85 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.42 5.33 0.03 1.61 0.15 -1.20 -4.95 113.70 114.24 2xdi s SER 86 Ca 0.00 1.36 -0.14 0.00 0.70 0.00 0.00 55.95 57.87 2xdi s SER 86 Cb 0.00 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 2xdi s SER 86 CO 0.00 -2.14 0.43 0.20 1.20 0.00 0.00 173.24 172.92 2xdi s ASN 87 N 8.51 6.81 0.00 5.45 -0.87 -1.26 -4.81 114.94 128.77 2xdi s ASN 87 Ca 0.90 0.97 0.00 0.00 -1.57 0.00 0.00 52.86 53.17 2xdi s ASN 87 Cb -0.24 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 2xdi s ASN 87 CO 0.31 0.29 0.00 -0.24 -2.57 0.00 0.00 177.10 174.89 2xdi n SER 88 N 1.63 0.00 0.13 -1.22 2.88 -1.26 -4.16 113.62 111.62 2xdi n SER 88 Ca -0.12 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.49 2xdi n SER 88 Cb 0.52 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.38 2xdi n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2xdi n LEU 89 N 0.00 0.38 0.00 2.46 4.32 -1.26 -0.27 117.00 122.64 2xdi n LEU 89 Ca 0.00 0.64 0.05 0.00 -0.02 0.00 0.00 56.01 56.68 2xdi n LEU 89 Cb 0.00 -0.66 0.23 0.00 -1.62 0.00 0.00 43.42 41.37 2xdi n LEU 89 CO 0.00 -0.77 0.67 1.17 -1.22 0.00 0.00 177.39 177.24 2xdi n LYS 90 N -2.02 0.00 0.00 3.23 3.00 -1.26 -2.88 118.16 118.22 2xdi n LYS 90 Ca -0.01 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 2xdi n LYS 90 Cb 0.12 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.64 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 -1.51 0.42 -2.91 3.14 0.00 0.63 -5.04 120.51 115.25 2xdi n ALA 91 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 2xdi n ALA 91 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.03 -2.86 -0.04 0.00 0.00 -0.88 -4.74 120.51 111.96 2xdi n ALA 92 Ca 0.00 0.83 -0.14 0.00 0.00 0.00 0.00 53.44 54.13 2xdi n ALA 92 Cb 0.17 -3.12 -0.09 0.00 0.00 0.00 0.00 19.45 16.42 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 1.54 0.29 -0.01 0.00 0.13 -1.83 -1.27 132.00 130.85 2xdi h PRO 93 Ca -0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2xdi h PRO 93 Cb 1.00 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2xdi h PRO 93 CO 0.23 0.78 0.22 0.28 -0.23 0.00 0.00 178.00 179.28 2xdi h VAL 94 N -0.17 0.02 0.14 1.56 2.07 -1.93 0.81 116.25 118.76 2xdi h VAL 94 Ca 0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 2xdi h VAL 94 Cb 0.78 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2xdi h VAL 94 CO 0.04 0.00 -1.17 -0.08 0.02 0.00 0.00 177.57 176.39 2xdi h GLU 95 N 0.00 0.29 -0.52 1.57 4.81 -1.73 -2.59 114.58 116.39 2xdi h GLU 95 Ca 0.01 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 2xdi h GLU 95 Cb 0.45 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2xdi h GLU 95 CO -0.00 1.23 -0.05 1.25 -0.73 0.00 0.00 179.01 180.72 2xdi h LEU 96 N -0.31 0.95 -1.35 1.64 6.46 0.54 -2.39 115.31 120.86 2xdi h LEU 96 Ca -0.23 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.15 2xdi h LEU 96 Cb 1.74 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 2xdi h LEU 96 CO 0.11 1.05 -0.02 0.03 -0.62 0.00 0.00 178.44 178.99 2xdi h ARG 97 N 0.83 0.41 -0.45 1.25 3.08 0.36 -2.29 114.38 117.56 2xdi h ARG 97 Ca 0.14 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2xdi h ARG 97 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2xdi h ARG 97 CO 0.04 0.45 0.26 1.96 -1.07 0.00 0.00 179.97 181.62 2xdi h GLN 98 N 0.39 0.61 0.08 0.04 1.08 -1.02 0.53 115.11 116.82 2xdi h GLN 98 Ca 0.09 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2xdi h GLN 98 Cb 0.30 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2xdi h GLN 98 CO 0.01 0.46 -0.15 2.35 -0.95 0.00 0.00 178.83 180.54 2xdi h TRP 99 N 0.59 -0.39 -0.65 2.96 -0.00 -1.10 0.51 115.95 117.86 2xdi h TRP 99 Ca 0.16 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.05 2xdi h TRP 99 Cb 0.01 0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.30 2xdi h TRP 99 CO -0.03 -0.23 0.37 -0.07 -0.00 0.00 0.00 178.44 178.48 2xdi h LEU 100 N -0.30 0.79 -2.75 0.65 3.38 -1.22 0.14 115.31 116.00 2xdi h LEU 100 Ca 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2xdi h LEU 100 Cb 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2xdi h LEU 100 CO -0.09 0.63 -0.00 -0.33 0.09 0.00 0.00 178.44 178.74 2xdi h GLU 101 N 0.90 0.00 0.00 1.13 5.08 0.15 1.03 114.58 122.88 2xdi h GLU 101 Ca 0.23 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.30 2xdi h GLU 101 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2xdi h GLU 101 CO -0.04 0.00 -1.79 -1.91 -1.00 0.00 0.00 179.01 174.27 2xdi n GLU 102 N -3.14 0.64 0.09 2.33 4.07 0.40 -1.17 120.64 123.86 2xdi n GLU 102 Ca -0.03 0.24 0.11 0.00 -0.06 0.00 0.00 57.16 57.42 2xdi n GLU 102 Cb 0.10 -1.75 0.01 0.00 -0.06 0.00 0.00 31.44 29.74 2xdi n GLU 102 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2xdi n VAL 103 N -2.97 0.52 -0.03 6.31 0.31 -0.42 -3.12 118.33 118.94 2xdi n VAL 103 Ca -0.19 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2xdi n VAL 103 Cb 1.04 -0.25 -0.08 0.00 -0.91 0.00 0.00 33.84 33.64 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 -2.54 0.00 -1.58 7.52 4.32 0.34 -4.48 117.00 120.58 2xdi n LEU 104 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 2xdi n LEU 104 Cb 0.53 0.12 0.15 0.00 -1.62 0.00 0.00 43.42 42.60 2xdi n LEU 104 CO 0.40 0.12 0.79 0.18 -1.22 0.00 0.00 177.39 177.65 2xdi n LEU 105 N -2.10 5.05 -4.67 2.23 4.32 -0.31 -5.01 117.00 116.50 2xdi n LEU 105 Ca -0.09 -3.99 -0.48 0.00 -0.02 0.00 0.00 56.01 51.44 2xdi n LEU 105 Cb 0.54 -0.66 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 2xdi n LEU 105 CO 0.21 1.40 1.36 2.29 -1.22 0.00 0.00 177.39 181.43 2xdi n LYS 106 N -1.04 2.08 -2.77 3.23 2.85 -1.18 -4.78 118.16 116.55 2xdi n LYS 106 Ca 0.42 0.76 -0.03 0.00 -1.05 0.00 0.00 58.31 58.41 2xdi n LYS 106 Cb 1.06 -2.56 0.05 0.00 -0.65 0.00 0.00 35.03 32.93 2xdi n LYS 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2xdi n SER 107 N 5.30 1.27 0.00 -5.58 2.88 -1.26 -5.09 113.62 111.14 2xdi n SER 107 Ca 0.21 -2.28 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 2xdi n SER 107 Cb 0.28 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2xdi n SER 107 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28