#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 1.48 1.04 1.69 1.04 -1.26 -5.13 113.70 112.55 2xdi s SER 5 Ca 0.00 -2.57 -0.05 0.00 0.48 0.00 0.00 55.95 53.82 2xdi s SER 5 Cb 0.00 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.10 2xdi s SER 5 CO 0.00 -0.20 0.32 -0.81 0.98 0.00 0.00 173.24 173.52 2xdi n PRO 6 N 3.30 -1.01 -2.25 4.02 -0.04 -1.26 -4.97 135.00 132.79 2xdi n PRO 6 Ca 0.22 -0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 62.84 2xdi n PRO 6 Cb 0.46 -0.40 0.02 0.00 -0.04 0.00 0.00 33.50 33.54 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 -2.83 3.19 0.00 0.54 -0.00 -1.26 -4.95 117.16 111.86 2xdi n TYR 7 Ca 0.04 -2.74 0.00 0.00 -0.00 0.00 0.00 57.90 55.20 2xdi n TYR 7 Cb 0.15 -0.74 0.00 0.00 -0.00 0.00 0.00 39.34 38.76 2xdi n TYR 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2xdi n SER 8 N -0.46 0.00 0.00 2.98 2.88 -1.26 -4.88 113.62 112.88 2xdi n SER 8 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2xdi n SER 8 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi n ALA 9 N 0.00 0.00 -3.00 -1.46 0.00 -1.26 -4.81 120.51 109.98 2xdi n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2xdi n ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 10.90 0.00 -2.43 0.00 0.00 -1.26 -5.05 120.51 122.68 2xdi n ALA 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2xdi n ALA 10 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2xdi n ALA 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2xdi n MET 11 N 0.00 4.46 -3.21 0.00 1.56 -1.26 -4.78 117.12 113.89 2xdi n MET 11 Ca 0.00 -4.32 -0.26 0.00 -0.27 0.00 0.00 57.70 52.85 2xdi n MET 11 Cb 0.00 -2.39 -0.06 0.00 2.15 0.00 0.00 33.22 32.92 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 -0.23 4.09 0.31 -5.12 0.00 -1.26 -4.90 120.51 113.40 2xdi n ALA 12 Ca 0.48 -4.59 -0.14 0.00 0.00 0.00 0.00 53.44 49.19 2xdi n ALA 12 Cb 0.27 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 3.65 -0.78 0.00 0.00 4.81 -2.05 -3.35 114.58 116.86 2xdi h GLU 13 Ca 0.16 0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 59.15 2xdi h GLU 13 Cb 0.63 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2xdi h GLU 13 CO 0.79 -0.48 -1.97 1.04 -0.73 0.00 0.00 179.01 177.66 2xdi n GLN 14 N -5.33 0.66 -3.02 1.92 6.02 -1.26 -5.01 117.38 111.35 2xdi n GLN 14 Ca -0.11 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 2xdi n GLN 14 Cb 0.34 -1.67 0.06 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.86 -3.78 -0.01 -1.09 1.74 -1.26 -4.94 116.66 104.46 2xdi n ARG 15 Ca -0.22 0.67 -0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2xdi n ARG 15 Cb 1.05 -5.05 -0.12 0.00 -1.02 0.00 0.00 32.46 27.32 2xdi n ARG 15 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2xdi n HIS 16 N -3.21 0.56 0.41 -1.55 -0.00 -1.26 -3.95 115.22 106.22 2xdi n HIS 16 Ca -0.16 0.19 0.13 0.00 0.46 0.00 0.00 57.72 58.34 2xdi n HIS 16 Cb 0.62 -0.96 0.37 0.00 -0.12 0.00 0.00 29.99 29.90 2xdi n HIS 16 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2xdi h GLN 17 N 0.00 0.00 0.00 1.57 5.75 -2.00 -2.62 115.11 117.80 2xdi h GLN 17 Ca -0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2xdi h GLN 17 Cb 1.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.17 2xdi h GLN 17 CO 0.03 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 176.60 2xdi n GLU 18 N -2.67 0.06 -0.03 1.69 -0.58 -1.25 -2.90 120.64 114.96 2xdi n GLU 18 Ca 0.04 0.06 -0.15 0.00 -0.42 0.00 0.00 57.16 56.69 2xdi n GLU 18 Cb 0.42 -1.57 -0.10 0.00 -0.57 0.00 0.00 31.44 29.62 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2xdi h TRP 19 N 0.00 0.33 -0.55 -0.32 -0.00 -1.63 -2.52 115.95 111.26 2xdi h TRP 19 Ca 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 58.89 58.65 2xdi h TRP 19 Cb 0.55 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.63 2xdi h TRP 19 CO 0.00 0.86 -0.05 -0.07 -0.00 0.00 0.00 178.44 179.18 2xdi h LEU 20 N -0.29 0.97 -1.35 0.65 3.38 -1.69 -0.02 115.31 116.96 2xdi h LEU 20 Ca -0.01 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.81 2xdi h LEU 20 Cb 0.88 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2xdi h LEU 20 CO 0.05 1.05 0.56 -0.09 0.09 0.00 0.00 178.44 180.10 2xdi h ARG 21 N 0.90 0.61 0.10 1.13 2.43 -1.52 1.54 114.38 119.57 2xdi h ARG 21 Ca 0.15 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.02 2xdi h ARG 21 Cb 0.59 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2xdi h ARG 21 CO 0.04 0.41 -1.17 0.74 -1.51 0.00 0.00 179.97 178.47 2xdi h PHE 22 N 0.63 0.54 -0.48 2.20 0.04 -0.92 0.99 116.94 119.95 2xdi h PHE 22 Ca 0.43 -0.37 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 2xdi h PHE 22 Cb 0.74 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 2xdi h PHE 22 CO -0.00 1.25 -0.18 0.28 -0.60 0.00 0.00 178.31 179.06 2xdi h VAL 23 N 0.12 1.27 0.04 -0.55 2.07 0.12 0.49 116.25 119.81 2xdi h VAL 23 Ca -0.12 -1.33 -0.25 0.00 0.82 0.00 0.00 66.70 65.81 2xdi h VAL 23 Cb 1.87 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2xdi h VAL 23 CO 0.20 0.46 -1.06 -0.78 0.02 0.00 0.00 177.57 176.41 2xdi h ASP 24 N 0.83 0.66 -0.24 0.57 1.82 0.20 0.37 116.42 120.63 2xdi h ASP 24 Ca 0.12 -0.56 -0.04 0.00 -0.39 0.00 0.00 57.03 56.16 2xdi h ASP 24 Cb 0.74 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 2xdi h ASP 24 CO 0.06 1.38 -0.00 0.25 -1.61 0.00 0.00 179.24 179.31 2xdi h LEU 25 N 0.25 0.41 -0.12 2.28 6.46 -0.68 0.29 115.31 124.19 2xdi h LEU 25 Ca -0.12 -0.31 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 2xdi h LEU 25 Cb 1.72 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.53 2xdi h LEU 25 CO 0.19 0.62 -0.06 0.25 -0.62 0.00 0.00 178.44 178.81 2xdi h LEU 26 N 0.19 0.27 -1.11 2.25 5.85 -0.94 -1.70 115.31 120.13 2xdi h LEU 26 Ca 0.07 -0.42 0.15 0.00 0.84 0.00 0.00 57.88 58.52 2xdi h LEU 26 Cb 0.41 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 2xdi h LEU 26 CO 0.01 0.63 0.61 0.50 -0.34 0.00 0.00 178.44 179.85 2xdi h LYS 27 N -0.09 0.80 -0.09 1.25 3.11 -0.15 0.68 116.57 122.09 2xdi h LYS 27 Ca 0.03 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.75 2xdi h LYS 27 Cb 0.53 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2xdi h LYS 27 CO 0.02 0.53 -0.25 -0.97 -2.81 0.00 0.00 179.45 175.97 2xdi h ASN 28 N 0.82 0.15 0.90 4.20 -0.00 -0.07 -0.71 115.58 120.88 2xdi h ASN 28 Ca 0.51 -0.04 -0.19 0.00 -0.00 0.00 0.00 56.30 56.58 2xdi h ASN 28 Cb 0.70 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.95 2xdi h ASN 28 CO -0.28 0.41 -0.89 0.00 -0.00 0.00 0.00 177.43 176.67 2xdi h ALA 29 N 1.61 0.53 -0.00 1.57 0.00 0.11 -2.40 119.26 120.68 2xdi h ALA 29 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2xdi h ALA 29 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2xdi h ALA 29 CO 0.04 1.11 -0.14 0.66 0.00 0.00 0.00 179.25 180.91 2xdi n TYR 30 N -3.48 0.00 -0.08 0.00 0.53 0.77 -3.23 117.16 111.68 2xdi n TYR 30 Ca -0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.82 2xdi n TYR 30 Cb 0.85 -0.21 -0.14 0.00 -1.03 0.00 0.00 39.34 38.81 2xdi n TYR 30 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 2xdi n GLN 31 N -1.01 1.03 0.03 -0.72 7.27 -0.32 -4.31 117.38 119.34 2xdi n GLN 31 Ca 0.13 -0.03 0.13 0.00 0.07 0.00 0.00 57.00 57.29 2xdi n GLN 31 Cb 0.29 -1.45 0.35 0.00 2.41 0.00 0.00 30.24 31.84 2xdi n GLN 31 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2xdi n ASN 32 N -2.58 0.46 0.00 1.69 2.85 -0.92 -4.90 115.26 111.86 2xdi n ASN 32 Ca -0.25 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2xdi n ASN 32 Cb 0.99 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.90 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2xdi n ASP 33 N -1.76 -2.60 -0.39 1.20 2.03 -1.20 -4.80 116.55 109.03 2xdi n ASP 33 Ca 0.05 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.49 2xdi n ASP 33 Cb 0.38 -1.84 0.54 0.00 -0.72 0.00 0.00 41.12 39.48 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 0.00 1.20 -0.26 -2.67 -0.00 -1.25 -3.72 117.00 110.30 2xdi n LEU 34 Ca 0.00 -0.44 0.02 0.00 -0.00 0.00 0.00 56.01 55.58 2xdi n LEU 34 Cb 0.16 -0.03 0.05 0.00 -0.00 0.00 0.00 43.42 43.60 2xdi n LEU 34 CO 0.00 0.22 0.53 0.00 -0.00 0.00 0.00 177.39 178.14 2xdi n HIS 35 N -0.03 0.17 -0.25 1.47 1.44 -1.22 -4.15 115.22 112.65 2xdi n HIS 35 Ca 0.18 -0.08 0.03 0.00 -2.01 0.00 0.00 57.72 55.85 2xdi n HIS 35 Cb 0.29 -0.01 0.16 0.00 0.12 0.00 0.00 29.99 30.55 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 0.68 0.35 -0.81 2.39 3.38 -1.89 0.81 115.31 120.21 2xdi h LEU 36 Ca 0.00 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2xdi h LEU 36 Cb 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2xdi h LEU 36 CO 0.01 0.17 -0.58 1.55 0.09 0.00 0.00 178.44 179.67 2xdi h PRO 37 N 0.51 0.03 0.00 1.13 0.13 -1.92 -0.36 132.00 131.52 2xdi h PRO 37 Ca 0.38 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 65.29 2xdi h PRO 37 Cb 0.51 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 2xdi h PRO 37 CO -0.34 0.61 -1.04 1.25 -0.23 0.00 0.00 178.00 178.24 2xdi h LEU 38 N 0.03 0.00 -0.04 1.56 6.46 -1.40 0.97 115.31 122.89 2xdi h LEU 38 Ca -0.01 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 2xdi h LEU 38 Cb 1.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2xdi h LEU 38 CO 0.08 0.89 -1.08 0.25 -0.62 0.00 0.00 178.44 177.96 2xdi h LEU 39 N 0.00 0.44 0.21 2.25 5.85 0.71 -0.15 115.31 124.62 2xdi h LEU 39 Ca -0.06 -0.41 -0.31 0.00 0.84 0.00 0.00 57.88 57.94 2xdi h LEU 39 Cb 1.73 -0.14 0.03 0.00 0.37 0.00 0.00 40.66 42.65 2xdi h LEU 39 CO 0.11 1.26 -1.44 -1.13 -0.34 0.00 0.00 178.44 176.90 2xdi h ASN 40 N 0.14 0.69 -0.21 1.25 -1.24 -1.12 1.39 115.58 116.48 2xdi h ASN 40 Ca -0.10 -0.93 -0.05 0.00 0.71 0.00 0.00 56.30 55.93 2xdi h ASN 40 Cb 1.77 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.57 2xdi h ASN 40 CO 0.18 1.68 -0.02 0.25 -1.29 0.00 0.00 177.43 178.23 2xdi h LEU 41 N 0.01 0.48 0.08 0.34 5.85 -0.87 -2.84 115.31 118.37 2xdi h LEU 41 Ca -0.27 -0.09 -0.32 0.00 0.84 0.00 0.00 57.88 58.04 2xdi h LEU 41 Cb 2.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 2xdi h LEU 41 CO 0.21 0.57 -1.73 -0.03 -0.34 0.00 0.00 178.44 177.13 2xdi h MET 42 N 0.49 0.18 0.00 1.25 4.05 -1.04 -3.45 114.93 116.41 2xdi h MET 42 Ca 0.10 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2xdi h MET 42 Cb 0.35 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2xdi h MET 42 CO 0.01 0.96 0.00 1.28 0.23 0.00 0.00 176.91 179.39 2xdi n LEU 43 N -3.34 0.00 -2.10 3.39 4.77 0.48 -4.81 117.00 115.38 2xdi n LEU 43 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2xdi n LEU 43 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2xdi n LEU 43 CO 0.46 0.00 -0.40 0.35 -1.33 0.00 0.00 177.39 176.47 2xdi n THR 44 N 0.00-11.36 0.04 -5.08 -2.24 -1.26 -4.66 114.28 89.73 2xdi n THR 44 Ca 0.00 2.83 -0.11 0.00 -2.27 0.00 0.00 64.05 64.50 2xdi n THR 44 Cb 0.00 -4.89 -0.08 0.00 -2.10 0.00 0.00 70.33 63.26 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 4.24 -0.19 -1.10 -0.78 0.13 -2.00 -3.13 132.00 129.18 2xdi h PRO 45 Ca 0.00 0.01 0.32 0.00 -0.87 0.00 0.00 66.00 65.46 2xdi h PRO 45 Cb 0.00 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.13 2xdi h PRO 45 CO 0.00 0.26 0.98 0.38 -0.23 0.00 0.00 178.00 179.39 2xdi h ASP 46 N -0.85 0.00 -0.07 1.44 -0.00 -1.97 0.81 116.42 115.78 2xdi h ASP 46 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.94 2xdi h ASP 46 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 2xdi h ASP 46 CO 0.03 0.00 -0.21 -0.08 -0.00 0.00 0.00 179.24 178.98 2xdi h GLU 47 N 0.00 0.27 0.00 4.15 4.57 -1.83 0.26 114.58 122.00 2xdi h GLU 47 Ca 0.52 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 58.42 2xdi h GLU 47 Cb 2.47 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 31.08 2xdi h GLU 47 CO -0.01 0.81 -0.42 0.00 -1.18 0.00 0.00 179.01 178.22 2xdi h ARG 48 N -0.22 0.00 0.00 1.92 3.08 0.32 -0.70 114.38 118.78 2xdi h ARG 48 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2xdi h ARG 48 Cb 0.83 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.90 2xdi h ARG 48 CO 0.05 0.42 -0.81 1.49 -1.07 0.00 0.00 179.97 180.05 2xdi h GLU 49 N 0.00 0.54 -0.18 0.04 4.81 0.25 -2.52 114.58 117.52 2xdi h GLU 49 Ca -0.00 -0.59 -0.14 0.00 -0.13 0.00 0.00 59.36 58.50 2xdi h GLU 49 Cb 0.98 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2xdi h GLU 49 CO 0.05 1.21 -0.44 0.00 -0.73 0.00 0.00 179.01 179.11 2xdi h ALA 50 N 0.35 0.30 0.32 2.92 0.00 -0.41 -0.50 119.26 122.23 2xdi h ALA 50 Ca -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2xdi h ALA 50 Cb 1.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2xdi h ALA 50 CO 0.16 0.43 -0.19 1.25 0.00 0.00 0.00 179.25 180.89 2xdi h LEU 51 N 0.29 -0.49 -1.82 0.00 7.12 -1.21 0.21 115.31 119.41 2xdi h LEU 51 Ca -0.00 0.03 0.23 0.00 0.13 0.00 0.00 57.88 58.26 2xdi h LEU 51 Cb 1.05 0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 41.27 2xdi h LEU 51 CO 0.10 -0.30 0.60 1.23 -0.13 0.00 0.00 178.44 179.94 2xdi h GLY 52 N -0.48 0.33 0.85 3.75 0.00 -1.55 0.66 103.07 106.63 2xdi h GLY 52 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2xdi h GLY 52 CO 0.04 -0.01 0.05 -0.84 0.00 0.00 0.00 176.54 175.79 2xdi h THR 53 N 0.15 1.19 -0.97 4.70 2.02 -0.10 -2.53 112.91 117.36 2xdi h THR 53 Ca 0.43 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 67.08 2xdi h THR 53 Cb 1.46 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 2xdi h THR 53 CO -0.07 0.18 0.63 -0.09 0.37 0.00 0.00 175.52 176.54 2xdi h ARG 54 N 0.09 1.13 -0.85 6.66 2.43 0.18 0.55 114.38 124.57 2xdi h ARG 54 Ca 0.05 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2xdi h ARG 54 Cb 0.23 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2xdi h ARG 54 CO -0.00 0.75 0.55 0.28 -1.51 0.00 0.00 179.97 180.04 2xdi h VAL 55 N 1.16 1.16 0.03 0.20 2.07 -1.14 0.23 116.25 119.95 2xdi h VAL 55 Ca 0.41 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2xdi h VAL 55 Cb 0.12 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2xdi h VAL 55 CO -0.15 0.20 -0.20 -0.09 0.02 0.00 0.00 177.57 177.35 2xdi h ARG 56 N 1.09 0.09 -0.82 1.57 1.12 -0.84 0.17 114.38 116.75 2xdi h ARG 56 Ca 0.33 -0.13 0.10 0.00 -1.11 0.00 0.00 59.98 59.17 2xdi h ARG 56 Cb -0.03 0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 29.90 2xdi h ARG 56 CO -0.10 1.00 0.46 0.82 -3.11 0.00 0.00 179.97 179.05 2xdi h ILE 57 N -0.75 0.89 0.07 1.20 1.08 0.20 0.21 117.51 120.40 2xdi h ILE 57 Ca -0.03 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.07 2xdi h ILE 57 Cb 1.09 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2xdi h ILE 57 CO 0.04 0.14 -0.44 0.58 -0.69 0.00 0.00 178.15 177.78 2xdi h VAL 58 N 0.77 1.61 0.14 1.67 2.07 -0.63 -2.37 116.25 119.51 2xdi h VAL 58 Ca 0.40 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.58 2xdi h VAL 58 Cb 0.39 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 2xdi h VAL 58 CO -0.26 0.65 -0.35 -0.08 0.02 0.00 0.00 177.57 177.55 2xdi h GLU 59 N -0.59 -0.57 -0.95 1.57 4.81 -0.31 -1.85 114.58 116.70 2xdi h GLU 59 Ca -0.07 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2xdi h GLU 59 Cb 1.31 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.78 2xdi h GLU 59 CO 0.08 -0.38 0.60 1.49 -0.73 0.00 0.00 179.01 180.07 2xdi h GLU 60 N -0.59 1.27 -0.72 1.92 4.22 -0.73 -1.91 114.58 118.04 2xdi h GLU 60 Ca 0.02 -0.10 0.14 0.00 0.08 0.00 0.00 59.36 59.50 2xdi h GLU 60 Cb 0.61 -0.27 -0.14 0.00 0.50 0.00 0.00 28.75 29.45 2xdi h GLU 60 CO -0.19 0.87 -0.22 1.25 -2.18 0.00 0.00 179.01 178.54 2xdi h LEU 61 N 1.30 -0.80 0.07 1.64 7.12 -0.79 1.83 115.31 125.67 2xdi h LEU 61 Ca 0.34 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.58 2xdi h LEU 61 Cb -0.10 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 2xdi h LEU 61 CO -0.07 -0.26 -0.03 0.25 -0.13 0.00 0.00 178.44 178.20 2xdi h LEU 62 N -0.03 -0.07 -0.41 2.25 7.12 -0.87 -2.52 115.31 120.77 2xdi h LEU 62 Ca 0.33 -0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.42 2xdi h LEU 62 Cb 0.54 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.61 2xdi h LEU 62 CO -0.75 -0.05 -0.13 0.03 -0.13 0.00 0.00 178.44 177.41 2xdi h ARG 63 N -0.09 -0.03 -6.99 1.25 2.47 0.96 -3.44 114.38 108.50 2xdi h ARG 63 Ca -0.01 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.12 2xdi h ARG 63 Cb 0.07 0.01 -0.31 0.00 -1.65 0.00 0.00 29.97 28.09 2xdi h ARG 63 CO 0.01 -0.02 -0.88 0.41 0.56 0.00 0.00 179.97 180.05 2xdi n GLY 64 N -1.33 -0.29 0.00 0.04 0.00 0.56 -4.72 105.19 99.45 2xdi n GLY 64 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.06 -0.09 -1.72 1.61 0.28 -1.26 -4.77 120.64 110.62 2xdi n GLU 65 Ca -0.04 -0.41 -0.36 0.00 -0.16 0.00 0.00 57.16 56.20 2xdi n GLU 65 Cb 0.51 -0.75 0.05 0.00 1.43 0.00 0.00 31.44 32.68 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2xdi n MET 66 N -0.05 2.85 -1.20 3.44 2.81 -1.26 -4.82 117.12 118.89 2xdi n MET 66 Ca 0.00 -3.55 -0.09 0.00 -1.81 0.00 0.00 57.70 52.25 2xdi n MET 66 Cb 0.17 -2.28 -0.04 0.00 -0.71 0.00 0.00 33.22 30.37 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 -0.71 -5.05 0.27 7.83 2.88 -1.26 -4.77 113.62 112.81 2xdi n SER 67 Ca 0.56 0.22 0.18 0.00 -1.33 0.00 0.00 58.87 58.50 2xdi n SER 67 Cb 0.51 -3.71 0.94 0.00 -0.75 0.00 0.00 64.21 61.20 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 0.00 -1.46 4.15 -1.88 0.29 115.11 116.21 2xdi h GLN 68 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2xdi h GLN 68 Cb 1.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2xdi h GLN 68 CO 0.27 0.00 -0.82 -2.13 -1.93 0.00 0.00 178.83 174.22 2xdi n ARG 69 N -3.50 0.19 0.00 1.69 0.63 -1.26 -3.42 116.66 110.99 2xdi n ARG 69 Ca -0.01 0.01 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2xdi n ARG 69 Cb 0.23 -1.58 -0.07 0.00 0.45 0.00 0.00 32.46 31.49 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 -1.83 2.33 0.00 -0.14 -0.58 0.66 -4.41 120.64 116.68 2xdi n GLU 70 Ca 0.03 -0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.76 2xdi n GLU 70 Cb 0.40 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 30.06 2xdi n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2xdi n LEU 71 N -1.20 0.98 0.07 -4.62 7.94 0.70 -4.41 117.00 116.46 2xdi n LEU 71 Ca 0.03 -0.60 0.02 0.00 -1.11 0.00 0.00 56.01 54.35 2xdi n LEU 71 Cb 0.23 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.14 2xdi n LEU 71 CO 0.27 0.21 -0.05 0.07 -1.11 0.00 0.00 177.39 176.79 2xdi h LYS 72 N 0.62 0.00 0.00 1.96 2.10 -1.76 -3.28 116.57 116.21 2xdi h LYS 72 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2xdi h LYS 72 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2xdi h LYS 72 CO 0.00 0.29 0.00 0.27 -2.00 0.00 0.00 179.45 178.01 2xdi n ASN 73 N -2.94 0.00 -0.69 7.07 6.94 -1.26 -0.28 115.26 124.09 2xdi n ASN 73 Ca -0.05 -1.45 0.08 0.00 -0.02 0.00 0.00 54.58 53.14 2xdi n ASN 73 Cb 0.77 0.00 0.21 0.00 -2.36 0.00 0.00 39.78 38.40 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2xdi n GLU 74 N -0.76 2.68 0.00 -3.83 2.13 -1.24 -4.80 120.64 114.82 2xdi n GLU 74 Ca 0.12 -2.62 0.00 0.00 0.66 0.00 0.00 57.16 55.32 2xdi n GLU 74 Cb 0.06 -1.67 0.00 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 -0.48 -0.55 -3.86 4.31 -0.00 -1.14 -5.06 117.46 110.68 2xdi n PHE 75 Ca 0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.32 2xdi n PHE 75 Cb 0.75 0.11 0.01 0.00 -0.00 0.00 0.00 39.48 40.35 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 -1.05 -1.15 2.67 7.13 0.00 0.61 -4.89 105.19 108.50 2xdi n GLY 76 Ca 0.00 0.51 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.43 4.02 0.00 4.61 0.00 -1.26 -4.78 120.51 119.66 2xdi n ALA 77 Ca -0.24 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 48.75 2xdi n ALA 77 Cb 0.64 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 0.17 0.94 0.44 0.00 0.00 -1.26 -4.91 105.19 100.57 2xdi n GLY 78 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 2xdi n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xdi n ILE 79 N -1.61 0.23 0.00 -0.61 2.08 -1.26 -4.01 119.36 114.18 2xdi n ILE 79 Ca 0.00 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.02 2xdi n ILE 79 Cb 0.00 0.19 0.00 0.00 -0.75 0.00 0.00 39.64 39.08 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2xdi n ALA 80 N 0.13 1.89 -0.04 -1.39 0.00 -1.26 -4.69 120.51 115.14 2xdi n ALA 80 Ca 0.13 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.80 2xdi n ALA 80 Cb 0.25 0.28 0.71 0.00 0.00 0.00 0.00 19.45 20.69 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 0.63 -0.06 0.00 1.03 -1.97 0.78 112.91 113.33 2xdi h THR 81 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 66.43 2xdi h THR 81 Cb 0.69 0.67 -0.03 0.00 -1.07 0.00 0.00 68.15 68.41 2xdi h THR 81 CO 0.00 0.00 -0.09 0.40 -0.01 0.00 0.00 175.52 175.82 2xdi h ILE 82 N 0.00 0.75 -0.47 0.00 1.08 -1.84 -3.23 117.51 113.80 2xdi h ILE 82 Ca 0.30 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.42 2xdi h ILE 82 Cb 1.22 0.75 -0.33 0.00 -3.07 0.00 0.00 36.82 35.39 2xdi h ILE 82 CO -0.00 0.00 -0.82 0.35 -0.69 0.00 0.00 178.15 176.99 2xdi n THR 83 N -5.23 2.04 0.00 -0.27 -2.24 -0.45 -4.94 114.28 103.19 2xdi n THR 83 Ca -0.05 -3.53 0.00 0.00 -2.27 0.00 0.00 64.05 58.21 2xdi n THR 83 Cb 0.15 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2xdi n THR 83 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2xdi n ARG 84 N -0.69 0.00 -3.95 -0.78 1.74 0.26 -4.51 116.66 108.73 2xdi n ARG 84 Ca 0.29 0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 57.23 2xdi n ARG 84 Cb 0.89 -0.90 -0.15 0.00 -1.02 0.00 0.00 32.46 31.28 2xdi n ARG 84 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2xdi s GLY 85 N 0.00 1.67 0.35 -0.13 0.00 -1.26 -5.06 107.32 102.88 2xdi s GLY 85 Ca 0.00 -2.18 -0.26 0.00 0.00 0.00 0.00 44.72 42.28 2xdi s GLY 85 CO 0.00 1.07 1.03 -0.56 0.00 0.00 0.00 173.10 174.64 2xdi s SER 86 N 1.12 7.03 0.46 1.64 0.01 -1.26 -5.04 113.70 117.66 2xdi s SER 86 Ca 0.08 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.32 2xdi s SER 86 Cb -0.19 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2xdi s SER 86 CO -0.11 -0.30 0.78 0.20 0.41 0.00 0.00 173.24 174.22 2xdi s ASN 87 N -1.40 6.33 0.00 2.44 0.02 -1.26 -5.06 114.94 116.01 2xdi s ASN 87 Ca 0.52 0.99 0.00 0.00 -1.02 0.00 0.00 52.86 53.35 2xdi s ASN 87 Cb -0.24 -2.27 0.00 0.00 0.02 0.00 0.00 41.25 38.76 2xdi s ASN 87 CO 0.30 -0.53 0.00 -0.24 0.02 0.00 0.00 177.10 176.65 2xdi n SER 88 N -1.99 0.00 -0.06 -1.22 2.88 -1.26 -4.06 113.62 107.92 2xdi n SER 88 Ca 0.01 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.78 2xdi n SER 88 Cb 0.55 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.48 2xdi n SER 88 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2xdi h LEU 89 N 0.00 0.00 -0.08 2.46 6.46 -1.98 2.13 115.31 124.30 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 -3.23 0.02 0.00 1.25 3.00 -1.26 -2.49 118.16 115.44 2xdi n LYS 90 Ca 0.16 0.27 0.01 0.00 -0.00 0.00 0.00 58.31 58.75 2xdi n LYS 90 Cb 1.22 -1.54 -0.01 0.00 0.00 0.00 0.00 35.03 34.70 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 -1.53 2.20 -3.61 3.14 0.00 0.72 -5.00 120.51 116.42 2xdi n ALA 91 Ca 0.03 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2xdi n ALA 91 Cb 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.94 -2.52 -0.04 0.00 0.00 -0.97 -4.85 120.51 111.19 2xdi n ALA 92 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2xdi n ALA 92 Cb 0.02 -4.32 -0.08 0.00 0.00 0.00 0.00 19.45 15.08 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 -1.76 0.44 0.00 0.00 0.13 -1.82 -2.14 132.00 126.85 2xdi h PRO 93 Ca -0.65 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 2xdi h PRO 93 Cb 1.35 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2xdi h PRO 93 CO 0.48 0.92 0.18 0.28 -0.23 0.00 0.00 178.00 179.63 2xdi h VAL 94 N 0.03 0.00 0.16 1.56 2.07 -1.94 0.62 116.25 118.75 2xdi h VAL 94 Ca -0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 2xdi h VAL 94 Cb 0.93 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2xdi h VAL 94 CO 0.07 0.00 -1.46 -0.08 0.02 0.00 0.00 177.57 176.12 2xdi h GLU 95 N 0.00 0.34 -0.42 1.57 4.81 -1.80 -2.78 114.58 116.30 2xdi h GLU 95 Ca 0.00 -0.58 -0.07 0.00 -0.13 0.00 0.00 59.36 58.59 2xdi h GLU 95 Cb 0.37 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2xdi h GLU 95 CO 0.00 1.28 -0.00 1.25 -0.73 0.00 0.00 179.01 180.80 2xdi h LEU 96 N -0.12 0.73 -1.87 1.64 6.46 0.01 -2.05 115.31 120.11 2xdi h LEU 96 Ca -0.29 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.15 2xdi h LEU 96 Cb 1.91 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.64 2xdi h LEU 96 CO 0.14 0.86 0.00 0.03 -0.62 0.00 0.00 178.44 178.85 2xdi h ARG 97 N 0.58 0.08 -0.48 1.25 3.08 -0.04 -1.69 114.38 117.16 2xdi h ARG 97 Ca 0.12 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2xdi h ARG 97 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2xdi h ARG 97 CO 0.02 0.09 0.00 1.96 -1.07 0.00 0.00 179.97 180.97 2xdi h GLN 98 N 0.08 0.85 -0.88 0.04 1.08 -1.08 -0.36 115.11 114.84 2xdi h GLN 98 Ca 0.02 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2xdi h GLN 98 Cb 0.06 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 2xdi h GLN 98 CO 0.00 0.89 0.54 2.35 -0.95 0.00 0.00 178.83 181.66 2xdi h TRP 99 N 0.71 1.16 -0.47 2.96 -0.00 -0.92 -1.25 115.95 118.13 2xdi h TRP 99 Ca 0.14 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.92 2xdi h TRP 99 Cb 0.51 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 29.27 2xdi h TRP 99 CO 0.04 0.77 -0.14 -0.07 -0.00 0.00 0.00 178.44 179.04 2xdi h LEU 100 N 1.21 0.89 -2.21 0.65 3.38 -1.24 -1.88 115.31 116.12 2xdi h LEU 100 Ca 0.32 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2xdi h LEU 100 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2xdi h LEU 100 CO -0.06 1.03 0.12 -0.33 0.09 0.00 0.00 178.44 179.30 2xdi h GLU 101 N 0.79 0.00 0.24 1.13 5.08 0.05 1.17 114.58 123.04 2xdi h GLU 101 Ca 0.12 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.17 2xdi h GLU 101 Cb 0.67 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.96 2xdi h GLU 101 CO 0.05 0.00 -1.39 0.93 -1.00 0.00 0.00 179.01 177.60 2xdi h GLU 102 N 0.00 0.51 0.00 2.33 5.08 -0.51 0.11 114.58 122.09 2xdi h GLU 102 Ca 0.06 -0.87 -0.11 0.00 -1.00 0.00 0.00 59.36 57.44 2xdi h GLU 102 Cb 0.31 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2xdi h GLU 102 CO -0.00 1.42 -0.54 0.28 -1.00 0.00 0.00 179.01 179.16 2xdi h VAL 103 N 0.07 1.04 0.23 3.13 2.07 -0.73 0.21 116.25 122.27 2xdi h VAL 103 Ca -0.24 -2.16 -0.33 0.00 0.82 0.00 0.00 66.70 64.79 2xdi h VAL 103 Cb 2.10 2.30 0.03 0.00 -1.52 0.00 0.00 31.29 34.20 2xdi h VAL 103 CO 0.26 0.53 -1.51 -0.07 0.02 0.00 0.00 177.57 176.80 2xdi h LEU 104 N 0.00 0.77 -2.21 2.57 -0.00 0.13 -2.98 115.31 113.59 2xdi h LEU 104 Ca -0.01 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 2xdi h LEU 104 Cb 1.25 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2xdi h LEU 104 CO 0.07 1.72 0.00 0.18 -0.00 0.00 0.00 178.44 180.41 2xdi n LEU 105 N -3.72 3.32 0.00 1.67 4.77 0.02 -4.69 117.00 118.38 2xdi n LEU 105 Ca -0.19 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 2xdi n LEU 105 Cb 1.08 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2xdi n LEU 105 CO 0.58 0.58 0.00 1.17 -1.33 0.00 0.00 177.39 178.39 2xdi n LYS 106 N 0.69 0.00 -0.02 3.23 3.00 0.72 -4.96 118.16 120.82 2xdi n LYS 106 Ca 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.51 2xdi n LYS 106 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.57 2xdi n LYS 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2xdi n SER 107 N 0.00 2.38 -0.02 3.14 2.88 -1.13 -3.52 113.62 117.36 2xdi n SER 107 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2xdi n SER 107 Cb 0.00 1.31 0.94 0.00 -0.75 0.00 0.00 64.21 65.71 2xdi n SER 107 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91