#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dge n SER 2 N 0.00 0.92 -4.76 3.17 7.64 -1.26 -4.63 113.62 114.70 3dge n SER 2 Ca 0.00 0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.79 3dge n SER 2 Cb 0.00 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.53 3dge n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3dge s LYS 3 N -1.76 4.24 0.40 1.43 -0.14 -1.26 -4.73 119.74 117.92 3dge s LYS 3 Ca -0.10 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 56.88 3dge s LYS 3 Cb 0.01 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 3dge s LYS 3 CO 0.15 -0.40 0.62 0.15 -0.76 0.00 0.00 175.35 175.12 3dge s LYS 4 N -1.28 3.28 -0.13 1.68 1.02 -1.26 -1.86 119.74 121.19 3dge s LYS 4 Ca 0.55 -0.38 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 3dge s LYS 4 Cb -0.43 -2.60 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 3dge s LYS 4 CO 0.52 -0.08 0.29 0.08 -0.92 0.00 0.00 175.35 175.25 3dge s VAL 5 N -2.46 -0.20 -0.21 3.17 1.01 -0.02 -3.36 120.40 118.33 3dge s VAL 5 Ca 0.44 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 3dge s VAL 5 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3dge s VAL 5 CO 0.37 0.07 0.38 -0.22 0.00 0.00 0.00 175.10 175.71 3dge s LEU 6 N 1.74 4.14 -0.21 3.92 2.96 -0.49 -0.95 118.68 129.78 3dge s LEU 6 Ca -0.06 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 3dge s LEU 6 Cb -0.11 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.14 3dge s LEU 6 CO -0.10 -0.07 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.49 3dge s LEU 7 N 1.35 2.67 -0.27 -0.68 1.98 0.06 -0.38 118.68 123.40 3dge s LEU 7 Ca 0.18 -0.86 0.01 0.00 -2.89 0.00 0.00 54.13 50.56 3dge s LEU 7 Cb -0.15 -1.54 0.05 0.00 0.66 0.00 0.00 46.19 45.21 3dge s LEU 7 CO 0.08 -0.07 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.71 3dge s VAL 8 N 1.26 2.55 -0.27 1.68 1.01 0.47 -1.39 120.40 125.72 3dge s VAL 8 Ca 0.01 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 3dge s VAL 8 Cb -0.15 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.85 3dge s VAL 8 CO -0.09 -0.02 0.65 -0.62 0.00 0.00 0.00 175.10 175.02 3dge s ASP 9 N 1.19 -0.90 0.00 3.32 -1.08 -0.62 -2.57 116.67 116.01 3dge s ASP 9 Ca -0.06 1.44 0.05 0.00 -0.52 0.00 0.00 52.55 53.45 3dge s ASP 9 Cb -0.19 1.36 0.29 0.00 -1.46 0.00 0.00 42.92 42.91 3dge s ASP 9 CO -0.04 -0.23 0.67 -0.90 0.52 0.00 0.00 175.17 175.19 3dge n ASP 10 N 4.39 0.00 -4.38 -0.34 5.75 -1.19 -4.40 116.55 116.37 3dge n ASP 10 Ca -0.20 -0.56 -0.35 0.00 -0.01 0.00 0.00 54.79 53.67 3dge n ASP 10 Cb 0.58 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.54 3dge n ASP 10 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3dge s SER 11 N -1.79 4.65 -0.01 -1.12 0.15 -1.26 -5.00 113.70 109.31 3dge s SER 11 Ca 0.07 -0.30 -0.23 0.00 0.70 0.00 0.00 55.95 56.19 3dge s SER 11 Cb 0.03 -1.81 -0.15 0.00 -1.71 0.00 0.00 66.02 62.38 3dge s SER 11 CO 0.06 -0.01 1.07 0.00 1.20 0.00 0.00 173.24 175.55 3dge h ALA 12 N 8.05 -0.41 -0.88 5.45 0.00 -1.99 -0.33 119.26 129.15 3dge h ALA 12 Ca -0.39 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.54 3dge h ALA 12 Cb 1.17 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3dge h ALA 12 CO 0.60 -0.50 0.37 0.28 0.00 0.00 0.00 179.25 179.99 3dge h VAL 13 N -0.86 0.48 -0.05 0.00 2.07 -1.98 0.20 116.25 116.11 3dge h VAL 13 Ca -0.04 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 3dge h VAL 13 Cb 0.52 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3dge h VAL 13 CO 0.07 0.07 -0.83 0.25 0.02 0.00 0.00 177.57 177.15 3dge h LEU 14 N 0.39 0.55 -0.29 2.57 5.85 -1.97 -3.08 115.31 119.33 3dge h LEU 14 Ca 0.54 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dge h LEU 14 Cb 1.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3dge h LEU 14 CO -0.53 1.16 0.13 0.03 -0.34 0.00 0.00 178.44 178.90 3dge h ARG 15 N 0.28 0.42 -0.15 1.25 3.08 0.91 -1.28 114.38 118.89 3dge h ARG 15 Ca -0.05 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3dge h ARG 15 Cb 1.43 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.34 3dge h ARG 15 CO 0.14 0.42 -0.36 -0.22 -1.07 0.00 0.00 179.97 178.88 3dge h LYS 16 N 0.32 -0.41 -0.15 0.04 3.64 -0.74 0.24 116.57 119.51 3dge h LYS 16 Ca 0.10 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3dge h LYS 16 Cb 0.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3dge h LYS 16 CO -0.01 -0.27 -0.43 0.97 -2.27 0.00 0.00 179.45 177.44 3dge h ILE 17 N -0.42 1.31 -0.30 2.00 6.09 -1.44 0.33 117.51 125.08 3dge h ILE 17 Ca 0.09 -1.59 -0.15 0.00 -1.37 0.00 0.00 64.86 61.85 3dge h ILE 17 Cb 0.58 1.67 -0.00 0.00 0.47 0.00 0.00 36.82 39.54 3dge h ILE 17 CO -0.39 0.48 -0.38 0.58 -3.07 0.00 0.00 178.15 175.38 3dge h VAL 18 N 0.30 1.29 0.11 2.19 2.07 -0.82 -2.94 116.25 118.45 3dge h VAL 18 Ca 0.02 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 3dge h VAL 18 Cb 0.88 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3dge h VAL 18 CO 0.07 0.51 -0.08 -1.28 0.02 0.00 0.00 177.57 176.81 3dge h SER 19 N 0.55 -0.20 -0.79 0.57 0.87 -0.09 -1.58 113.55 112.88 3dge h SER 19 Ca 0.04 0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.80 3dge h SER 19 Cb 0.97 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.87 3dge h SER 19 CO 0.09 -0.13 0.21 0.15 -0.53 0.00 0.00 176.83 176.62 3dge h PHE 20 N -0.19 0.32 -0.23 2.24 3.57 -0.34 -0.36 116.94 121.96 3dge h PHE 20 Ca -0.01 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 3dge h PHE 20 Cb 0.17 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3dge h PHE 20 CO -0.09 -0.11 -0.52 -0.91 -2.23 0.00 0.00 178.31 174.44 3dge h ASN 21 N 0.27 0.72 0.76 0.41 2.35 -1.31 -2.44 115.58 116.34 3dge h ASN 21 Ca 0.47 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3dge h ASN 21 Cb 0.84 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3dge h ASN 21 CO -0.56 1.11 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.86 3dge h LEU 22 N 0.50 -0.97 -2.10 1.61 4.07 -0.10 -3.12 115.31 115.20 3dge h LEU 22 Ca 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3dge h LEU 22 Cb 1.08 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 43.08 3dge h LEU 22 CO 0.10 -0.66 -0.07 0.11 -1.08 0.00 0.00 178.44 176.85 3dge h LYS 23 N -1.07 0.00 0.00 1.13 1.57 -1.25 0.16 116.57 117.11 3dge h LYS 23 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dge h LYS 23 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3dge h LYS 23 CO 0.15 0.07 0.00 -0.22 -0.57 0.00 0.00 179.45 178.87 3dge h LYS 24 N 0.00 0.00 -0.32 3.15 3.64 -1.37 0.07 116.57 121.74 3dge h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dge h LYS 24 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3dge h LYS 24 CO 0.01 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.58 3dge n GLU 25 N -2.53 2.33 0.00 1.90 -0.58 0.55 -4.99 120.64 117.32 3dge n GLU 25 Ca -0.02 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 3dge n GLU 25 Cb 0.07 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3dge n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dge n GLY 26 N 0.75 3.09 3.33 0.62 0.00 0.01 -4.67 105.19 108.32 3dge n GLY 26 Ca 0.13 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3dge n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dge n TYR 27 N 0.00 -1.77 -3.76 1.61 4.01 -1.25 -0.39 117.16 115.62 3dge n TYR 27 Ca 0.00 0.62 -0.20 0.00 -0.16 0.00 0.00 57.90 58.16 3dge n TYR 27 Cb 0.00 -1.82 -0.02 0.00 -0.31 0.00 0.00 39.34 37.19 3dge n TYR 27 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3dge s GLU 28 N -1.13 3.15 -0.01 -0.72 2.56 -0.78 -3.91 118.70 117.86 3dge s GLU 28 Ca 0.60 -0.97 -0.01 0.00 0.00 0.00 0.00 54.97 54.59 3dge s GLU 28 Cb -0.63 -2.76 -0.00 0.00 2.00 0.00 0.00 34.13 32.73 3dge s GLU 28 CO 0.62 0.23 0.03 0.14 -0.56 0.00 0.00 175.26 175.72 3dge s VAL 29 N -2.12 0.02 -0.14 3.70 -7.23 -1.26 -0.84 120.40 112.53 3dge s VAL 29 Ca 0.39 -0.20 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 3dge s VAL 29 Cb -0.09 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.75 3dge s VAL 29 CO 0.29 -0.11 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.16 3dge s ILE 30 N -0.31 1.79 0.50 -0.62 1.09 -0.13 -4.96 121.20 118.55 3dge s ILE 30 Ca -0.04 -0.80 -0.12 0.00 -1.10 0.00 0.00 60.65 58.59 3dge s ILE 30 Cb -0.02 -1.61 -0.06 0.00 -1.06 0.00 0.00 42.46 39.70 3dge s ILE 30 CO -0.00 0.50 0.91 -1.61 -0.10 0.00 0.00 174.94 174.63 3dge s GLU 31 N 1.06 3.79 -0.29 2.79 2.02 -1.26 -0.76 118.70 126.04 3dge s GLU 31 Ca -0.03 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.65 3dge s GLU 31 Cb -0.14 -2.23 0.14 0.00 0.10 0.00 0.00 34.13 32.00 3dge s GLU 31 CO -0.05 -0.25 0.32 0.00 0.02 0.00 0.00 175.26 175.30 3dge s ALA 32 N -2.67 -0.66 0.65 5.21 0.00 -0.48 -4.88 121.76 118.93 3dge s ALA 32 Ca 0.55 -0.15 0.35 0.00 0.00 0.00 0.00 51.96 52.71 3dge s ALA 32 Cb -0.10 -1.87 1.95 0.00 0.00 0.00 0.00 23.12 23.10 3dge s ALA 32 CO 0.37 -1.71 2.12 1.49 0.00 0.00 0.00 175.76 178.03 3dge h GLU 33 N 8.24 0.00 0.00 0.00 4.81 -1.86 -1.64 114.58 124.13 3dge h GLU 33 Ca -0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3dge h GLU 33 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3dge h GLU 33 CO 0.32 0.00 0.17 0.27 -0.73 0.00 0.00 179.01 179.04 3dge n ASN 34 N -3.12 -1.00 -0.04 1.04 0.23 -1.26 -3.20 115.26 107.90 3dge n ASN 34 Ca -0.02 -1.65 -0.11 0.00 -0.53 0.00 0.00 54.58 52.28 3dge n ASN 34 Cb 0.26 1.65 -0.05 0.00 -2.08 0.00 0.00 39.78 39.56 3dge n ASN 34 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3dge h GLY 35 N 0.93 0.27 0.29 4.83 0.00 -1.85 0.16 103.07 107.69 3dge h GLY 35 Ca -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3dge h GLY 35 CO 0.19 0.14 -0.34 1.46 0.00 0.00 0.00 176.54 177.99 3dge h GLN 36 N 0.12 -0.62 -0.97 4.80 4.20 -1.93 -2.48 115.11 118.24 3dge h GLN 36 Ca 0.06 0.04 0.20 0.00 0.06 0.00 0.00 58.65 59.01 3dge h GLN 36 Cb 0.16 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 27.97 3dge h GLN 36 CO -0.01 -0.41 0.56 0.82 -0.67 0.00 0.00 178.83 179.12 3dge h ILE 37 N -0.64 0.65 -0.39 2.54 1.08 -1.93 -0.39 117.51 118.44 3dge h ILE 37 Ca -0.04 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 3dge h ILE 37 Cb 0.57 -0.08 -0.08 0.00 -3.07 0.00 0.00 36.82 34.16 3dge h ILE 37 CO -0.07 0.12 -0.13 0.00 -0.69 0.00 0.00 178.15 177.38 3dge h ALA 38 N 1.66 0.20 0.04 1.87 0.00 -0.25 0.46 119.26 123.23 3dge h ALA 38 Ca 0.58 0.15 -0.26 0.00 0.00 0.00 0.00 54.91 55.37 3dge h ALA 38 Cb 0.95 0.36 0.02 0.00 0.00 0.00 0.00 17.79 19.11 3dge h ALA 38 CO -0.41 -0.49 -1.08 -0.07 0.00 0.00 0.00 179.25 177.20 3dge h LEU 39 N -0.05 0.77 -0.39 0.00 3.38 -0.68 -2.93 115.31 115.41 3dge h LEU 39 Ca 0.19 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 57.58 3dge h LEU 39 Cb 0.34 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3dge h LEU 39 CO -0.43 1.46 0.01 -0.33 0.09 0.00 0.00 178.44 179.23 3dge h GLU 40 N 0.30 0.11 0.00 1.13 5.08 -0.97 0.22 114.58 120.45 3dge h GLU 40 Ca -0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3dge h GLU 40 Cb 1.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3dge h GLU 40 CO 0.20 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3dge n LYS 41 N -5.18 0.05 -0.10 2.33 4.76 0.12 -3.28 118.16 116.85 3dge n LYS 41 Ca 0.02 0.49 -0.12 0.00 -2.87 0.00 0.00 58.31 55.83 3dge n LYS 41 Cb 0.20 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.63 3dge n LYS 41 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3dge n LEU 42 N -1.73 1.23 0.31 -0.35 0.00 0.64 -3.81 117.00 113.30 3dge n LEU 42 Ca 0.00 -0.05 0.19 0.00 0.00 0.00 0.00 56.01 56.15 3dge n LEU 42 Cb 0.05 -0.08 1.01 0.00 0.00 0.00 0.00 43.42 44.41 3dge n LEU 42 CO 0.06 0.65 1.12 0.77 0.00 0.00 0.00 177.39 179.98 3dge h SER 43 N 0.00 0.00 0.16 1.96 4.64 -1.18 -2.92 113.55 116.21 3dge h SER 43 Ca -0.53 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.51 3dge h SER 43 Cb 2.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.13 3dge h SER 43 CO -0.02 0.00 -1.38 -0.33 -0.87 0.00 0.00 176.83 174.23 3dge h GLU 44 N 0.00 0.33 0.00 4.77 5.08 -1.70 -3.49 114.58 119.58 3dge h GLU 44 Ca 0.00 -0.57 -0.32 0.00 -1.00 0.00 0.00 59.36 57.47 3dge h GLU 44 Cb 0.21 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 3dge h GLU 44 CO 0.00 1.27 -0.25 1.97 -1.00 0.00 0.00 179.01 181.00 3dge n PHE 45 N -3.86 -1.03 -3.92 4.33 -1.74 -1.10 -5.15 117.46 104.99 3dge n PHE 45 Ca -0.22 -2.22 -0.30 0.00 -0.56 0.00 0.00 57.45 54.15 3dge n PHE 45 Cb 0.95 0.38 -0.16 0.00 1.52 0.00 0.00 39.48 42.17 3dge n PHE 45 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 3dge s THR 46 N -2.95 1.47 0.67 1.97 -4.23 -1.26 -4.65 115.64 106.66 3dge s THR 46 Ca 0.29 -1.24 -0.16 0.00 -1.18 0.00 0.00 61.69 59.40 3dge s THR 46 Cb 0.00 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.07 3dge s THR 46 CO 0.21 -0.16 1.21 -2.84 -0.54 0.00 0.00 174.62 172.50 3dge s PRO 47 N 1.41 2.48 0.16 3.99 0.02 -1.26 -4.96 135.00 136.84 3dge s PRO 47 Ca -0.04 1.80 0.23 0.00 0.02 0.00 0.00 61.00 63.01 3dge s PRO 47 Cb -0.19 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3dge s PRO 47 CO -0.07 -1.58 1.02 -0.25 -0.33 0.00 0.00 177.00 175.78 3dge n ASP 48 N -2.26 0.74 -3.75 2.53 8.00 -1.23 -4.88 116.55 115.71 3dge n ASP 48 Ca 0.14 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.73 3dge n ASP 48 Cb 0.50 0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 42.10 3dge n ASP 48 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dge s LEU 49 N -5.05 0.70 -0.04 0.64 2.96 -1.21 -4.49 118.68 112.18 3dge s LEU 49 Ca -0.00 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 3dge s LEU 49 Cb 0.11 1.31 -0.01 0.00 0.50 0.00 0.00 46.19 48.09 3dge s LEU 49 CO 0.80 -0.33 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.62 3dge s ILE 50 N -0.74 1.97 -0.26 6.68 1.01 -0.93 -1.40 121.20 127.54 3dge s ILE 50 Ca -0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 3dge s ILE 50 Cb -0.04 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3dge s ILE 50 CO 0.03 0.55 -0.03 -0.69 0.00 0.00 0.00 174.94 174.80 3dge s VAL 51 N -0.27 3.12 -0.07 2.92 1.01 0.48 -1.27 120.40 126.32 3dge s VAL 51 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3dge s VAL 51 Cb -0.12 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3dge s VAL 51 CO 0.02 0.18 -0.20 -0.22 0.00 0.00 0.00 175.10 174.89 3dge s LEU 52 N 1.37 1.93 0.47 3.92 2.96 0.22 -0.39 118.68 129.16 3dge s LEU 52 Ca 0.01 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 3dge s LEU 52 Cb -0.17 -1.16 0.03 0.00 0.50 0.00 0.00 46.19 45.40 3dge s LEU 52 CO -0.03 0.13 0.64 1.51 -1.32 0.00 0.00 176.35 177.28 3dge s ASP 53 N 0.32 5.47 -0.05 3.68 1.47 -1.06 -0.39 116.67 126.11 3dge s ASP 53 Ca -0.13 -0.56 -0.04 0.00 1.18 0.00 0.00 52.55 53.00 3dge s ASP 53 Cb -0.16 -0.35 -0.01 0.00 -0.34 0.00 0.00 42.92 42.06 3dge s ASP 53 CO 0.06 -0.95 -0.08 -0.38 0.68 0.00 0.00 175.17 174.50 3dge n ILE 54 N -1.97 0.44 -2.35 2.11 2.08 -1.26 -4.02 119.36 114.40 3dge n ILE 54 Ca 0.10 0.40 -0.43 0.00 0.56 0.00 0.00 62.75 63.39 3dge n ILE 54 Cb 0.60 -1.77 -0.02 0.00 -0.75 0.00 0.00 39.64 37.70 3dge n ILE 54 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3dge s MET 55 N -1.47 3.65 0.09 0.38 -1.94 -1.26 -0.81 119.30 117.93 3dge s MET 55 Ca -0.06 1.04 -0.17 0.00 -1.71 0.00 0.00 55.69 54.79 3dge s MET 55 Cb 0.01 -4.00 0.03 0.00 2.01 0.00 0.00 34.83 32.88 3dge s MET 55 CO 0.10 -1.47 0.40 0.00 -0.01 0.00 0.00 175.02 174.03 3dge s MET 56 N 4.79 0.99 -0.06 2.03 0.23 -1.26 -4.78 119.30 121.23 3dge s MET 56 Ca 0.61 -0.56 -0.26 0.00 -1.03 0.00 0.00 55.69 54.45 3dge s MET 56 Cb -0.15 0.44 -0.21 0.00 -1.53 0.00 0.00 34.83 33.38 3dge s MET 56 CO 0.31 -0.36 1.04 -1.35 -2.03 0.00 0.00 175.02 172.63 3dge h PRO 57 N 2.68 -0.03 -0.00 3.16 0.11 -1.93 -3.33 132.00 132.65 3dge h PRO 57 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3dge h PRO 57 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dge h PRO 57 CO 0.46 0.60 -0.00 0.28 -0.21 0.00 0.00 178.00 179.13 3dge h VAL 58 N -0.71 1.60 -3.08 3.15 2.07 -1.99 -3.45 116.25 113.83 3dge h VAL 58 Ca -0.00 -1.75 -0.16 0.00 0.82 0.00 0.00 66.70 65.61 3dge h VAL 58 Cb 0.65 2.79 -0.26 0.00 -1.52 0.00 0.00 31.29 32.95 3dge h VAL 58 CO 0.01 0.45 -0.41 -0.32 0.02 0.00 0.00 177.57 177.32 3dge s MET 59 N -3.24 0.31 0.65 1.57 -2.45 -1.26 -4.95 119.30 109.93 3dge s MET 59 Ca -0.17 0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.64 3dge s MET 59 Cb -0.01 0.14 0.08 0.00 1.25 0.00 0.00 34.83 36.30 3dge s MET 59 CO 0.68 -0.04 0.91 0.16 1.05 0.00 0.00 175.02 177.78 3dge s ASP 60 N 0.18 4.77 0.44 1.11 3.84 -1.25 -3.02 116.67 122.74 3dge s ASP 60 Ca -0.00 -0.12 0.18 0.00 -0.00 0.00 0.00 52.55 52.60 3dge s ASP 60 Cb -0.02 -0.49 1.04 0.00 -1.38 0.00 0.00 42.92 42.07 3dge s ASP 60 CO 0.00 -1.55 1.95 1.23 -0.00 0.00 0.00 175.17 176.81 3dge h GLY 61 N -0.30 0.00 0.58 2.12 0.00 -1.11 -2.67 103.07 101.69 3dge h GLY 61 Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3dge h GLY 61 CO 0.47 0.00 -0.09 0.74 0.00 0.00 0.00 176.54 177.66 3dge h PHE 62 N 0.00 -0.23 -0.74 5.60 0.05 -1.87 -1.91 116.94 117.84 3dge h PHE 62 Ca -0.00 -0.01 0.09 0.00 3.82 0.00 0.00 57.97 61.88 3dge h PHE 62 Cb 0.46 0.08 -0.07 0.00 2.00 0.00 0.00 35.95 38.41 3dge h PHE 62 CO 0.00 0.14 0.39 1.79 -0.18 0.00 0.00 178.31 180.45 3dge h THR 63 N -0.67 0.86 0.19 -1.55 1.35 -1.96 -2.58 112.91 108.55 3dge h THR 63 Ca -0.03 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3dge h THR 63 Cb 0.48 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 3dge h THR 63 CO 0.04 0.12 -0.18 0.58 -0.25 0.00 0.00 175.52 175.83 3dge h VAL 64 N 0.65 0.59 -0.82 6.82 2.07 -1.25 -0.88 116.25 123.43 3dge h VAL 64 Ca 0.36 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.09 3dge h VAL 64 Cb 0.37 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3dge h VAL 64 CO -0.26 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 177.82 3dge h LEU 65 N -0.40 0.24 0.65 2.57 3.38 -1.24 -2.27 115.31 118.23 3dge h LEU 65 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3dge h LEU 65 Cb 0.38 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dge h LEU 65 CO -0.04 0.10 -0.31 0.50 0.09 0.00 0.00 178.44 178.78 3dge h LYS 66 N 0.24 -0.84 -0.06 1.13 3.64 -0.77 -2.42 116.57 117.49 3dge h LYS 66 Ca 0.41 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3dge h LYS 66 Cb 1.25 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3dge h LYS 66 CO -0.10 -0.51 0.03 0.87 -2.27 0.00 0.00 179.45 177.47 3dge h LYS 67 N -1.08 0.08 0.51 1.90 1.57 -1.02 -2.00 116.57 116.52 3dge h LYS 67 Ca -0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3dge h LYS 67 Cb 0.71 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3dge h LYS 67 CO 0.15 0.06 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.62 3dge h LEU 68 N 0.08 -1.04 0.00 2.94 -0.00 -1.32 -3.16 115.31 112.81 3dge h LEU 68 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3dge h LEU 68 Cb 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3dge h LEU 68 CO -0.00 -0.56 0.00 1.67 -0.00 0.00 0.00 178.44 179.55 3dge n GLN 69 N -4.84 0.65 -2.88 1.13 7.27 -0.78 -2.74 117.38 115.18 3dge n GLN 69 Ca -0.11 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.69 3dge n GLN 69 Cb 0.38 -1.43 -0.03 0.00 2.41 0.00 0.00 30.24 31.57 3dge n GLN 69 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3dge n GLU 70 N -0.93 3.31 -3.65 3.69 0.28 -1.04 -4.82 120.64 117.47 3dge n GLU 70 Ca 0.13 -4.83 -0.03 0.00 -0.16 0.00 0.00 57.16 52.28 3dge n GLU 70 Cb 0.06 -2.24 -0.07 0.00 1.43 0.00 0.00 31.44 30.62 3dge n GLU 70 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3dge s LYS 71 N -3.50 0.23 0.16 3.44 2.47 -1.18 -4.96 119.74 116.40 3dge s LYS 71 Ca 0.49 0.32 -0.13 0.00 -1.56 0.00 0.00 55.97 55.09 3dge s LYS 71 Cb 0.29 0.09 0.04 0.00 -1.46 0.00 0.00 37.83 36.79 3dge s LYS 71 CO -0.15 -0.04 1.67 0.93 0.16 0.00 0.00 175.35 177.93 3dge h GLU 72 N 4.39 0.84 -0.07 4.03 4.39 -1.94 0.26 114.58 126.47 3dge h GLU 72 Ca -0.27 -0.19 -0.18 0.00 0.34 0.00 0.00 59.36 59.06 3dge h GLU 72 Cb 1.18 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3dge h GLU 72 CO 0.18 0.78 -0.71 0.93 -1.16 0.00 0.00 179.01 179.03 3dge h GLU 73 N 0.73 0.34 0.19 2.33 3.07 -1.99 -3.32 114.58 115.93 3dge h GLU 73 Ca 0.17 -0.27 -0.30 0.00 -0.50 0.00 0.00 59.36 58.46 3dge h GLU 73 Cb 0.31 0.06 0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3dge h GLU 73 CO -0.00 0.92 -1.39 -1.49 -1.40 0.00 0.00 179.01 175.65 3dge h TRP 74 N 0.23 0.72 -0.70 4.33 6.55 -1.76 -3.32 115.95 122.00 3dge h TRP 74 Ca -0.03 -0.53 0.19 0.00 0.95 0.00 0.00 58.89 59.48 3dge h TRP 74 Cb 1.28 -0.03 -0.13 0.00 -0.86 0.00 0.00 29.16 29.42 3dge h TRP 74 CO 0.04 1.54 0.02 1.17 -1.05 0.00 0.00 178.44 180.15 3dge n LYS 75 N -3.82 -0.06 0.09 0.49 4.81 0.89 -1.41 118.16 119.15 3dge n LYS 75 Ca -0.20 1.04 0.12 0.00 -0.87 0.00 0.00 58.31 58.41 3dge n LYS 75 Cb 1.00 -1.66 0.18 0.00 0.02 0.00 0.00 35.03 34.57 3dge n LYS 75 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3dge h ARG 76 N 0.00 0.00 -6.41 1.64 1.12 -1.73 -3.45 114.38 105.55 3dge h ARG 76 Ca 0.43 0.00 -0.57 0.00 -1.11 0.00 0.00 59.98 58.73 3dge h ARG 76 Cb 0.88 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.78 3dge h ARG 76 CO -0.65 0.00 0.89 0.96 -3.11 0.00 0.00 179.97 178.06 3dge s ILE 77 N -3.20 4.36 0.54 1.20 -4.36 -0.50 -4.98 121.20 114.25 3dge s ILE 77 Ca 0.06 1.52 -0.21 0.00 -0.26 0.00 0.00 60.65 61.76 3dge s ILE 77 Cb 0.12 -4.40 -0.05 0.00 1.25 0.00 0.00 42.46 39.37 3dge s ILE 77 CO 0.71 -0.60 1.26 -2.84 0.24 0.00 0.00 174.94 173.71 3dge s PRO 78 N 3.95 3.26 -0.08 0.37 0.02 -1.26 -4.84 135.00 136.42 3dge s PRO 78 Ca 0.48 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.52 3dge s PRO 78 Cb -0.12 -2.20 0.01 0.00 0.02 0.00 0.00 34.50 32.21 3dge s PRO 78 CO 0.21 -1.02 -0.15 0.08 -0.33 0.00 0.00 177.00 175.79 3dge s VAL 79 N -1.45 1.34 -0.26 3.83 1.01 -1.26 -2.20 120.40 121.41 3dge s VAL 79 Ca 0.71 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 3dge s VAL 79 Cb -0.34 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3dge s VAL 79 CO 0.40 0.40 0.31 -0.63 0.00 0.00 0.00 175.10 175.58 3dge s ILE 80 N 0.65 5.23 -0.09 2.22 1.01 -0.39 -1.70 121.20 128.13 3dge s ILE 80 Ca -0.14 0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 3dge s ILE 80 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3dge s ILE 80 CO 0.04 0.22 0.54 -0.69 0.00 0.00 0.00 174.94 175.05 3dge s VAL 81 N 1.76 5.11 -0.42 2.92 1.01 -0.28 -0.61 120.40 129.90 3dge s VAL 81 Ca 0.13 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 3dge s VAL 81 Cb -0.15 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.46 3dge s VAL 81 CO 0.09 0.33 0.21 -0.76 0.00 0.00 0.00 175.10 174.97 3dge s LEU 82 N 0.51 5.24 0.17 3.92 1.43 0.48 -0.10 118.68 130.31 3dge s LEU 82 Ca 0.29 -2.09 0.11 0.00 -1.03 0.00 0.00 54.13 51.41 3dge s LEU 82 Cb -0.16 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3dge s LEU 82 CO 0.13 -0.53 -0.24 0.28 0.23 0.00 0.00 176.35 176.23 3dge s THR 83 N 1.06 2.20 -0.55 5.49 -1.32 -0.87 -4.17 115.64 117.49 3dge s THR 83 Ca 0.09 -1.91 0.24 0.00 -1.21 0.00 0.00 61.69 58.90 3dge s THR 83 Cb -0.23 -2.01 0.29 0.00 -1.51 0.00 0.00 72.50 69.05 3dge s THR 83 CO -0.04 -0.09 1.64 0.00 -2.21 0.00 0.00 174.62 173.91 3dge h ALA 84 N 3.45 0.96 -1.74 11.08 0.00 -1.88 0.26 119.26 131.39 3dge h ALA 84 Ca -0.47 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 3dge h ALA 84 Cb 1.20 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3dge h ALA 84 CO 0.45 0.00 0.98 0.15 0.00 0.00 0.00 179.25 180.84 3dge s LYS 85 N -3.17 3.66 -0.02 0.00 1.02 -1.26 -4.73 119.74 115.23 3dge s LYS 85 Ca 0.08 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.76 3dge s LYS 85 Cb 0.08 -3.95 -0.26 0.00 -0.52 0.00 0.00 37.83 33.18 3dge s LYS 85 CO 0.65 -1.46 0.74 0.78 -0.92 0.00 0.00 175.35 175.14 3dge h GLY 86 N 11.61 0.21 -2.60 -3.33 0.00 -1.91 -3.45 103.07 103.59 3dge h GLY 86 Ca -0.25 -0.55 -0.23 0.00 0.00 0.00 0.00 47.33 46.30 3dge h GLY 86 CO 1.12 0.48 0.58 0.61 0.00 0.00 0.00 176.54 179.32 3dge n GLY 87 N 1.69 -0.12 0.00 4.60 0.00 -1.26 -4.63 105.19 105.46 3dge n GLY 87 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3dge n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dge n GLU 88 N 2.98 0.00 0.00 1.61 4.71 -1.26 0.23 120.64 128.91 3dge n GLU 88 Ca 0.23 0.25 -0.12 0.00 -0.01 0.00 0.00 57.16 57.50 3dge n GLU 88 Cb -0.00 -1.52 -0.10 0.00 -1.01 0.00 0.00 31.44 28.81 3dge n GLU 88 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dge h GLU 89 N 0.00 -0.08 -1.06 3.49 5.08 -1.99 -3.17 114.58 116.85 3dge h GLU 89 Ca 0.00 0.01 0.38 0.00 -1.00 0.00 0.00 59.36 58.75 3dge h GLU 89 Cb 0.05 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.16 3dge h GLU 89 CO 0.00 0.48 0.61 -0.44 -1.00 0.00 0.00 179.01 178.67 3dge h ASP 90 N -0.75 0.38 -0.50 1.42 3.32 -0.53 0.25 116.42 120.02 3dge h ASP 90 Ca -0.01 0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3dge h ASP 90 Cb 0.60 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3dge h ASP 90 CO 0.01 -0.27 0.13 -0.08 -1.72 0.00 0.00 179.24 177.31 3dge h GLU 91 N 0.15 0.79 -0.17 3.56 4.81 -1.60 -2.14 114.58 119.98 3dge h GLU 91 Ca 0.80 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.77 3dge h GLU 91 Cb 2.08 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.36 3dge h GLU 91 CO -0.63 0.76 -0.16 0.77 -0.73 0.00 0.00 179.01 179.01 3dge h SER 92 N 0.68 0.43 0.00 1.04 0.02 -0.62 -0.47 113.55 114.63 3dge h SER 92 Ca 0.16 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3dge h SER 92 Cb 0.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dge h SER 92 CO 0.00 0.82 0.14 -0.11 -1.14 0.00 0.00 176.83 176.54 3dge n LEU 93 N -4.51 0.34 -0.13 5.07 7.94 0.41 -0.39 117.00 125.72 3dge n LEU 93 Ca -0.06 0.60 -0.24 0.00 -1.11 0.00 0.00 56.01 55.20 3dge n LEU 93 Cb 0.38 -0.61 -0.11 0.00 0.53 0.00 0.00 43.42 43.61 3dge n LEU 93 CO 0.40 -0.72 -1.40 0.00 -1.11 0.00 0.00 177.39 174.56 3dge n ALA 94 N -1.61 1.32 -0.11 1.96 0.00 -0.81 -3.21 120.51 118.06 3dge n ALA 94 Ca -0.01 -1.11 -0.11 0.00 0.00 0.00 0.00 53.44 52.21 3dge n ALA 94 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 3dge n ALA 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dge h LEU 95 N -0.49 0.55 -1.71 0.00 3.38 -0.55 -0.35 115.31 116.14 3dge h LEU 95 Ca -0.64 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 3dge h LEU 95 Cb 1.76 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 3dge h LEU 95 CO -0.26 0.74 -0.12 0.77 0.09 0.00 0.00 178.44 179.66 3dge h SER 96 N 0.35 0.00 -0.30 -0.43 4.64 -0.94 -1.49 113.55 115.38 3dge h SER 96 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3dge h SER 96 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3dge h SER 96 CO 0.02 0.12 0.00 -0.11 -0.87 0.00 0.00 176.83 175.99 3dge n LEU 97 N -3.45 3.15 0.00 5.97 7.94 -0.76 -4.89 117.00 124.97 3dge n LEU 97 Ca -0.01 -1.59 0.00 0.00 -1.11 0.00 0.00 56.01 53.30 3dge n LEU 97 Cb 0.29 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.70 3dge n LEU 97 CO 0.30 0.45 0.00 0.61 -1.11 0.00 0.00 177.39 177.63 3dge n GLY 98 N 0.43 2.08 3.36 -3.96 0.00 -0.56 -4.14 105.19 102.40 3dge n GLY 98 Ca 0.14 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3dge n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dge n ALA 99 N 0.00 -2.43 0.19 4.61 0.00 -0.21 -4.86 120.51 117.81 3dge n ALA 99 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.17 3dge n ALA 99 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 3dge n ALA 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dge n ARG 100 N 0.06 2.81 -3.64 0.00 3.00 -0.69 -4.55 116.66 113.64 3dge n ARG 100 Ca 0.08 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.85 57.52 3dge n ARG 100 Cb 0.50 -0.88 -0.07 0.00 0.00 0.00 0.00 32.46 32.02 3dge n ARG 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3dge s LYS 101 N -0.92 0.39 -0.12 -0.14 2.36 -1.09 -4.96 119.74 115.26 3dge s LYS 101 Ca 0.03 0.62 -0.02 0.00 -2.55 0.00 0.00 55.97 54.06 3dge s LYS 101 Cb 0.03 0.11 -0.03 0.00 -1.05 0.00 0.00 37.83 36.90 3dge s LYS 101 CO 0.12 -0.07 -0.06 0.08 1.55 0.00 0.00 175.35 176.96 3dge s VAL 102 N 1.04 3.70 -0.16 4.02 1.01 -1.26 -1.13 120.40 127.62 3dge s VAL 102 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3dge s VAL 102 Cb -0.04 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.80 3dge s VAL 102 CO -0.13 0.53 -0.10 -0.32 0.00 0.00 0.00 175.10 175.09 3dge s MET 103 N -0.01 1.88 0.46 2.72 1.75 0.85 -4.96 119.30 121.99 3dge s MET 103 Ca -0.00 -0.59 -0.24 0.00 -1.25 0.00 0.00 55.69 53.61 3dge s MET 103 Cb -0.13 -2.10 -0.07 0.00 2.84 0.00 0.00 34.83 35.36 3dge s MET 103 CO 0.03 -0.35 1.29 1.03 -0.65 0.00 0.00 175.02 176.36 3dge s ARG 104 N 1.53 3.68 -0.05 4.11 0.52 -1.26 -2.05 118.95 125.42 3dge s ARG 104 Ca 0.02 2.09 -0.00 0.00 -0.52 0.00 0.00 55.73 57.32 3dge s ARG 104 Cb -0.14 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 3dge s ARG 104 CO -0.09 -0.71 -0.02 0.15 0.02 0.00 0.00 175.30 174.66 3dge s LYS 105 N -2.55 2.85 0.69 3.54 1.02 0.93 -3.59 119.74 122.64 3dge s LYS 105 Ca 0.63 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.94 3dge s LYS 105 Cb -0.36 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 3dge s LYS 105 CO 0.45 0.67 1.08 -2.30 -0.92 0.00 0.00 175.35 174.33 3dge n PRO 106 N 1.92 0.69 -4.20 -1.68 -0.01 -1.26 -4.59 135.00 125.88 3dge n PRO 106 Ca -0.17 0.29 -0.12 0.00 -0.01 0.00 0.00 63.50 63.49 3dge n PRO 106 Cb 0.53 -2.32 -0.10 0.00 -0.01 0.00 0.00 33.50 31.60 3dge n PRO 106 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 175.50 174.90 3dge s PHE 107 N -1.69 1.04 -0.21 6.00 -0.12 -1.24 -5.13 117.98 116.63 3dge s PHE 107 Ca 0.76 -0.82 -0.22 0.00 -0.05 0.00 0.00 56.93 56.61 3dge s PHE 107 Cb -0.36 -0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 3dge s PHE 107 CO 0.47 -0.05 0.69 0.45 -0.05 0.00 0.00 175.22 176.73 3dge s SER 108 N -2.97 6.73 0.36 1.98 0.15 -1.26 -4.95 113.70 113.73 3dge s SER 108 Ca 0.12 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.70 3dge s SER 108 Cb 0.03 -2.38 0.69 0.00 -1.71 0.00 0.00 66.02 62.66 3dge s SER 108 CO -0.02 -0.35 1.99 -0.65 1.20 0.00 0.00 173.24 175.40 3dge h PRO 109 N 7.57 0.78 -0.18 5.44 0.11 -2.00 0.10 132.00 143.82 3dge h PRO 109 Ca -0.29 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3dge h PRO 109 Cb 1.13 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3dge h PRO 109 CO 0.80 0.51 -0.04 0.66 -0.21 0.00 0.00 178.00 179.72 3dge h SER 110 N 0.80 0.35 -0.52 -2.05 4.64 -1.99 -0.49 113.55 114.29 3dge h SER 110 Ca 0.27 -0.37 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3dge h SER 110 Cb 0.08 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 3dge h SER 110 CO -0.08 0.64 0.24 1.56 -0.87 0.00 0.00 176.83 178.32 3dge h GLN 111 N 0.06 0.46 -0.18 4.77 4.20 -1.90 -0.18 115.11 122.33 3dge h GLN 111 Ca 0.05 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3dge h GLN 111 Cb 0.48 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3dge h GLN 111 CO 0.02 0.30 -0.00 0.35 -0.67 0.00 0.00 178.83 178.83 3dge h PHE 112 N 0.47 -0.02 -0.66 2.96 3.57 -0.15 0.18 116.94 123.29 3dge h PHE 112 Ca 0.24 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3dge h PHE 112 Cb 0.18 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3dge h PHE 112 CO -0.12 -0.03 0.43 0.82 -2.23 0.00 0.00 178.31 177.18 3dge h ILE 113 N 0.05 1.16 -0.59 1.41 1.08 -0.91 0.13 117.51 119.84 3dge h ILE 113 Ca 0.09 -0.30 0.14 0.00 -0.39 0.00 0.00 64.86 64.40 3dge h ILE 113 Cb 0.11 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 3dge h ILE 113 CO -0.15 0.16 0.41 -0.08 -0.69 0.00 0.00 178.15 177.80 3dge h GLU 114 N 0.88 0.17 0.13 2.37 4.81 0.70 0.53 114.58 124.16 3dge h GLU 114 Ca 0.24 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.27 3dge h GLU 114 Cb -0.08 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.28 3dge h GLU 114 CO -0.06 0.11 -0.84 1.49 -0.73 0.00 0.00 179.01 178.98 3dge h GLU 115 N 0.17 0.34 0.00 1.92 4.57 0.51 -3.17 114.58 118.92 3dge h GLU 115 Ca 0.28 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3dge h GLU 115 Cb 0.89 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3dge h GLU 115 CO -0.05 1.24 -0.09 0.28 -1.18 0.00 0.00 179.01 179.22 3dge h VAL 116 N -0.28 0.93 0.17 0.32 2.07 0.14 -2.46 116.25 117.14 3dge h VAL 116 Ca -0.14 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3dge h VAL 116 Cb 1.64 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3dge h VAL 116 CO 0.16 0.09 -0.08 0.11 0.02 0.00 0.00 177.57 177.87 3dge h LYS 117 N 0.00 -0.22 -0.74 1.57 1.57 -0.12 -3.04 116.57 115.59 3dge h LYS 117 Ca -0.00 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3dge h LYS 117 Cb 0.17 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3dge h LYS 117 CO 0.01 0.17 0.39 1.25 -0.57 0.00 0.00 179.45 180.70 3dge h HIS 118 N -0.68 0.70 0.00 -1.35 2.76 -1.47 -1.32 115.15 113.79 3dge h HIS 118 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3dge h HIS 118 Cb 0.49 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.25 3dge h HIS 118 CO 0.06 0.26 0.00 -0.07 -1.30 0.00 0.00 177.93 176.88 3dge h LEU 119 N 0.65 0.00 0.00 0.26 3.38 -1.51 -1.04 115.31 117.05 3dge h LEU 119 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dge h LEU 119 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dge h LEU 119 CO -0.26 0.00 -0.82 0.18 0.09 0.00 0.00 178.44 177.62 3dge n LEU 120 N -2.84 0.75 -0.49 1.67 4.77 -0.58 -4.39 117.00 115.88 3dge n LEU 120 Ca 0.00 -0.24 0.07 0.00 -0.03 0.00 0.00 56.01 55.81 3dge n LEU 120 Cb 0.24 -0.11 0.18 0.00 -2.33 0.00 0.00 43.42 41.41 3dge n LEU 120 CO 0.24 0.17 0.40 0.59 -1.33 0.00 0.00 177.39 177.46 3dge n ASN 121 N -1.56 1.83 0.00 -1.43 3.02 -0.45 -5.10 115.26 111.56 3dge n ASN 121 Ca 0.04 -3.58 0.04 0.00 -0.03 0.00 0.00 54.58 51.05 3dge n ASN 121 Cb 0.35 -0.49 0.26 0.00 -0.61 0.00 0.00 39.78 39.29 3dge n ASN 121 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02