#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dic s GLU 2 N 0.00 4.59 0.77 1.64 2.12 -1.26 -5.02 118.70 121.54 3dic s GLU 2 Ca 0.00 1.80 -0.11 0.00 0.36 0.00 0.00 54.97 57.02 3dic s GLU 2 Cb 0.00 -3.23 0.06 0.00 0.26 0.00 0.00 34.13 31.22 3dic s GLU 2 CO 0.00 0.10 1.09 0.95 -0.54 0.00 0.00 175.26 176.86 3dic s THR 3 N -0.65 3.36 0.26 -1.70 -4.23 -1.26 -4.84 115.64 106.58 3dic s THR 3 Ca 0.48 0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 61.40 3dic s THR 3 Cb -0.31 -2.95 0.15 0.00 1.34 0.00 0.00 72.50 70.73 3dic s THR 3 CO 0.38 -0.58 1.81 0.00 -0.54 0.00 0.00 174.62 175.69 3dic h ALA 4 N -1.11 1.15 -0.46 3.99 0.00 -1.95 -1.23 119.26 119.65 3dic h ALA 4 Ca -0.44 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 3dic h ALA 4 Cb 1.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3dic h ALA 4 CO 0.52 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 180.29 3dic h ALA 5 N 1.28 0.63 -0.22 0.00 0.00 -1.91 -1.71 119.26 117.35 3dic h ALA 5 Ca 0.20 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3dic h ALA 5 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dic h ALA 5 CO -0.01 0.48 -0.28 0.00 0.00 0.00 0.00 179.25 179.45 3dic h ALA 6 N 0.89 1.12 -0.54 0.00 0.00 -1.85 -1.56 119.26 117.33 3dic h ALA 6 Ca 0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3dic h ALA 6 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3dic h ALA 6 CO 0.04 0.55 -0.12 -0.22 0.00 0.00 0.00 179.25 179.50 3dic h LYS 7 N 0.37 1.03 -0.66 0.00 3.64 -1.03 -1.12 116.57 118.79 3dic h LYS 7 Ca 0.05 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 3dic h LYS 7 Cb 0.68 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3dic h LYS 7 CO 0.05 1.07 0.37 0.35 -2.27 0.00 0.00 179.45 179.02 3dic h PHE 8 N 0.91 0.91 0.19 1.91 3.04 -1.01 -0.49 116.94 122.40 3dic h PHE 8 Ca 0.14 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3dic h PHE 8 Cb 0.69 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3dic h PHE 8 CO 0.05 0.64 -0.18 0.93 -2.02 0.00 0.00 178.31 177.73 3dic h GLU 9 N 0.91 -0.38 -0.86 1.11 5.08 -0.96 0.78 114.58 120.26 3dic h GLU 9 Ca 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3dic h GLU 9 Cb 0.03 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3dic h GLU 9 CO -0.04 -0.25 0.55 -0.09 -1.00 0.00 0.00 179.01 178.18 3dic h ARG 10 N -0.39 1.15 0.07 2.33 2.43 -1.10 -1.25 114.38 117.62 3dic h ARG 10 Ca -0.00 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 58.83 3dic h ARG 10 Cb 0.36 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3dic h ARG 10 CO -0.03 0.78 -1.16 1.96 -1.51 0.00 0.00 179.97 180.00 3dic h GLN 11 N 1.17 0.15 0.00 0.20 4.20 -0.93 -3.41 115.11 116.50 3dic h GLN 11 Ca 0.31 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dic h GLN 11 Cb -0.10 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dic h GLN 11 CO -0.06 1.11 0.00 0.72 -0.67 0.00 0.00 178.83 179.93 3dic n HIS 12 N -3.45 0.00 -3.92 2.96 8.25 0.25 -4.64 115.22 114.68 3dic n HIS 12 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 3dic n HIS 12 Cb 0.99 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.01 3dic n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dic s MET 13 N -0.40 4.03 -0.41 -0.41 -1.94 -0.48 -0.11 119.30 119.58 3dic s MET 13 Ca 0.00 -0.31 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 3dic s MET 13 Cb 0.00 -3.28 0.18 0.00 2.01 0.00 0.00 34.83 33.74 3dic s MET 13 CO 0.00 0.27 0.37 -3.47 -0.01 0.00 0.00 175.02 172.18 3dic n ASP 14 N 3.56 -0.62 -0.11 3.03 2.03 -0.16 -4.83 116.55 119.45 3dic n ASP 14 Ca -0.16 -2.42 0.13 0.00 0.52 0.00 0.00 54.79 52.85 3dic n ASP 14 Cb 0.52 -0.43 0.71 0.00 -0.72 0.00 0.00 41.12 41.21 3dic n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3dic n SER 15 N 2.75 0.34 0.05 1.67 7.64 -1.26 -3.82 113.62 120.99 3dic n SER 15 Ca 0.29 -1.27 0.12 0.00 1.01 0.00 0.00 58.87 59.02 3dic n SER 15 Cb 0.49 -0.01 0.22 0.00 -1.01 0.00 0.00 64.21 63.90 3dic n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dic n SER 16 N -0.66 0.63 -4.15 6.43 3.41 -1.26 -4.87 113.62 113.15 3dic n SER 16 Ca 0.19 0.09 -0.15 0.00 -0.26 0.00 0.00 58.87 58.74 3dic n SER 16 Cb 0.15 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 3dic n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dic s THR 17 N -3.12 0.89 -0.62 6.66 -4.23 -1.25 -5.03 115.64 108.93 3dic s THR 17 Ca 0.08 -1.43 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 3dic s THR 17 Cb 0.14 -1.12 0.19 0.00 1.34 0.00 0.00 72.50 73.05 3dic s THR 17 CO 0.70 -0.44 1.54 0.77 -0.54 0.00 0.00 174.62 176.65 3dic h SER 18 N 3.94 0.00 -4.35 3.99 4.64 -1.88 -3.44 113.55 116.45 3dic h SER 18 Ca -0.38 -0.07 0.26 0.00 -0.47 0.00 0.00 61.79 61.13 3dic h SER 18 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 3dic h SER 18 CO 0.47 0.04 0.81 0.00 -0.87 0.00 0.00 176.83 177.28 3dic s ALA 19 N -3.16 -2.08 0.17 5.18 0.00 -1.26 -4.85 121.76 115.76 3dic s ALA 19 Ca 0.08 1.53 -0.32 0.00 0.00 0.00 0.00 51.96 53.25 3dic s ALA 19 Cb 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 23.04 3dic s ALA 19 CO 0.66 -0.63 1.76 0.00 0.00 0.00 0.00 175.76 177.56 3dic n ALA 20 N -0.12 2.54 0.11 0.00 0.00 -1.26 -4.90 120.51 116.88 3dic n ALA 20 Ca -0.00 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.84 3dic n ALA 20 Cb 0.59 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3dic n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dic h SER 21 N 7.43 0.00 -5.15 0.00 0.87 -2.00 -3.49 113.55 111.22 3dic h SER 21 Ca -0.44 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 3dic h SER 21 Cb 1.21 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 3dic h SER 21 CO 0.95 0.46 0.08 -0.94 -0.53 0.00 0.00 176.83 176.86 3dic s SER 22 N -6.20 0.05 0.35 6.23 1.04 -1.26 -5.02 113.70 108.90 3dic s SER 22 Ca 0.02 -0.99 0.26 0.00 0.48 0.00 0.00 55.95 55.72 3dic s SER 22 Cb 0.08 0.72 1.22 0.00 0.10 0.00 0.00 66.02 68.14 3dic s SER 22 CO 0.76 -1.39 1.79 0.77 0.98 0.00 0.00 173.24 176.16 3dic h SER 23 N 2.09 0.00 -0.10 7.02 4.64 -1.93 -2.13 113.55 123.13 3dic h SER 23 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3dic h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dic h SER 23 CO 0.34 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.89 3dic n ASN 24 N -2.43 2.01 -0.12 4.97 4.13 -1.26 -4.37 115.26 118.18 3dic n ASN 24 Ca 0.00 -1.70 -0.05 0.00 1.68 0.00 0.00 54.58 54.52 3dic n ASN 24 Cb 0.16 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.36 3dic n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3dic h TYR 25 N 2.92 -0.16 -0.56 3.10 5.03 -1.78 -2.43 116.97 123.11 3dic h TYR 25 Ca 0.00 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 3dic h TYR 25 Cb 0.63 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 3dic h TYR 25 CO 0.06 -0.15 0.01 0.00 -1.32 0.00 0.00 178.16 176.76 3dic h ASN 27 N 0.86 0.82 -0.08 0.00 2.35 -1.74 0.13 115.58 117.91 3dic h ASN 27 Ca 0.16 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3dic h ASN 27 Cb 0.53 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3dic h ASN 27 CO 0.03 0.54 -0.11 1.56 -1.65 0.00 0.00 177.43 177.80 3dic h GLN 28 N 0.96 0.22 -0.50 0.81 4.20 -1.04 -2.92 115.11 116.84 3dic h GLN 28 Ca 0.35 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 3dic h GLN 28 Cb 0.11 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3dic h GLN 28 CO -0.15 0.67 -0.10 0.52 -0.67 0.00 0.00 178.83 179.10 3dic h MET 29 N -0.23 0.95 -0.50 1.46 2.86 -0.76 0.50 114.93 119.22 3dic h MET 29 Ca 0.01 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3dic h MET 29 Cb 0.64 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3dic h MET 29 CO 0.03 1.02 0.21 0.52 1.06 0.00 0.00 176.91 179.74 3dic h MET 30 N 0.81 0.71 -0.03 1.72 2.86 -0.84 -0.61 114.93 119.55 3dic h MET 30 Ca 0.13 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3dic h MET 30 Cb 0.66 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.19 3dic h MET 30 CO 0.05 0.58 -0.31 -0.22 1.06 0.00 0.00 176.91 178.06 3dic h LYS 31 N 0.71 0.27 -0.74 1.72 3.64 -1.29 0.11 116.57 120.99 3dic h LYS 31 Ca 0.17 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3dic h LYS 31 Cb 0.13 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3dic h LYS 31 CO -0.02 0.92 0.40 0.77 -2.27 0.00 0.00 179.45 179.25 3dic h SER 32 N -0.29 0.55 -0.21 4.20 0.02 -0.68 -1.74 113.55 115.41 3dic h SER 32 Ca -0.03 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3dic h SER 32 Cb 1.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3dic h SER 32 CO 0.06 0.33 0.00 0.54 -1.14 0.00 0.00 176.83 176.62 3dic n ARG 33 N -4.81 1.70 -3.20 3.45 5.12 -0.26 -4.89 116.66 113.78 3dic n ARG 33 Ca 0.11 -0.84 -0.23 0.00 -1.93 0.00 0.00 57.85 54.96 3dic n ARG 33 Cb 0.25 -1.33 0.05 0.00 -1.16 0.00 0.00 32.46 30.27 3dic n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3dic n ASN 34 N 0.16 -6.23 -1.37 0.55 3.02 -0.65 -4.88 115.26 105.85 3dic n ASN 34 Ca 0.08 -0.37 0.09 0.00 -0.03 0.00 0.00 54.58 54.35 3dic n ASN 34 Cb 0.29 -4.98 0.31 0.00 -0.61 0.00 0.00 39.78 34.79 3dic n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dic n LEU 35 N -4.34 4.03 -0.23 3.41 4.77 0.02 -4.02 117.00 120.64 3dic n LEU 35 Ca -0.07 -2.03 0.01 0.00 -0.03 0.00 0.00 56.01 53.89 3dic n LEU 35 Cb 0.60 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3dic n LEU 35 CO 0.53 0.80 0.32 0.35 -1.33 0.00 0.00 177.39 178.06 3dic n THR 36 N 1.20 0.34 0.40 -5.08 -2.24 -1.23 -1.80 114.28 105.87 3dic n THR 36 Ca 0.23 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 3dic n THR 36 Cb 0.71 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 3dic n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dic h LYS 37 N 0.00 -1.05 0.00 -0.78 3.64 -1.90 -3.36 116.57 113.12 3dic h LYS 37 Ca 0.00 0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3dic h LYS 37 Cb 1.13 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 3dic h LYS 37 CO 0.00 -0.70 -2.05 -0.25 -2.27 0.00 0.00 179.45 174.18 3dic n ASP 38 N -5.12 0.34 -3.84 4.20 8.00 -1.26 -5.03 116.55 113.84 3dic n ASP 38 Ca -0.13 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.28 3dic n ASP 38 Cb 0.44 1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 43.14 3dic n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dic s ARG 39 N -3.12 1.61 -0.30 -1.24 1.70 -1.26 -5.06 118.95 111.28 3dic s ARG 39 Ca -0.08 -0.99 -0.21 0.00 -0.47 0.00 0.00 55.73 53.98 3dic s ARG 39 Cb 0.11 0.56 -0.01 0.00 -0.57 0.00 0.00 34.95 35.03 3dic s ARG 39 CO 0.83 -0.71 0.66 0.00 -1.08 0.00 0.00 175.30 175.00 3dic s LYS 41 N 2.66 4.20 0.16 0.00 2.20 -0.75 -4.89 119.74 123.33 3dic s LYS 41 Ca 0.27 2.36 -0.13 0.00 -0.36 0.00 0.00 55.97 58.10 3dic s LYS 41 Cb -0.15 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.71 3dic s LYS 41 CO 0.11 -0.72 1.72 -1.00 -0.36 0.00 0.00 175.35 175.11 3dic h PRO 42 N 8.04 0.78 -4.02 4.03 0.13 -1.94 -3.44 132.00 135.58 3dic h PRO 42 Ca -0.43 -0.13 -0.29 0.00 -0.87 0.00 0.00 66.00 64.28 3dic h PRO 42 Cb 1.20 -0.13 -0.29 0.00 0.13 0.00 0.00 31.00 31.91 3dic h PRO 42 CO 0.93 0.67 -0.74 0.08 -0.23 0.00 0.00 178.00 178.70 3dic s VAL 43 N -5.61 0.23 -0.28 1.56 1.01 -1.26 -1.24 120.40 114.81 3dic s VAL 43 Ca -0.13 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3dic s VAL 43 Cb 0.12 -0.21 0.09 0.00 0.00 0.00 0.00 36.38 36.38 3dic s VAL 43 CO 0.78 0.08 0.77 0.21 0.00 0.00 0.00 175.10 176.93 3dic s ASN 44 N 0.06 -0.79 -0.12 3.32 2.47 -0.00 -5.01 114.94 114.87 3dic s ASN 44 Ca -0.00 1.34 -0.02 0.00 0.42 0.00 0.00 52.86 54.60 3dic s ASN 44 Cb -0.03 1.34 -0.03 0.00 -1.45 0.00 0.00 41.25 41.08 3dic s ASN 44 CO -0.00 -0.22 -0.03 -0.89 -3.72 0.00 0.00 177.10 172.24 3dic s THR 45 N 1.16 3.98 -0.08 -5.21 2.01 -1.26 -0.67 115.64 115.56 3dic s THR 45 Ca -0.06 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3dic s THR 45 Cb -0.05 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3dic s THR 45 CO -0.13 0.55 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.96 3dic s PHE 46 N -0.25 3.06 -0.21 4.92 0.08 -0.09 -4.33 117.98 121.17 3dic s PHE 46 Ca 0.05 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.15 3dic s PHE 46 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3dic s PHE 46 CO 0.02 0.40 -0.01 0.08 -0.10 0.00 0.00 175.22 175.61 3dic s VAL 47 N -0.81 3.84 -1.18 -0.44 1.01 0.85 -0.99 120.40 122.67 3dic s VAL 47 Ca 0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3dic s VAL 47 Cb -0.11 -2.74 0.22 0.00 0.00 0.00 0.00 36.38 33.75 3dic s VAL 47 CO 0.02 0.42 1.93 1.41 0.00 0.00 0.00 175.10 178.88 3dic n HIS 48 N 4.40 2.63 -4.15 5.22 -0.00 0.40 -0.99 115.22 122.73 3dic n HIS 48 Ca -0.17 -2.69 -0.11 0.00 -0.00 0.00 0.00 57.72 54.75 3dic n HIS 48 Cb 0.52 -1.57 -0.09 0.00 -0.00 0.00 0.00 29.99 28.85 3dic n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3dic s GLU 49 N -2.00 1.21 0.72 -0.41 0.41 -1.26 -4.44 118.70 112.94 3dic s GLU 49 Ca 0.42 -1.52 -0.13 0.00 -0.41 0.00 0.00 54.97 53.32 3dic s GLU 49 Cb 0.14 0.30 0.03 0.00 -1.78 0.00 0.00 34.13 32.82 3dic s GLU 49 CO -0.04 -0.41 1.13 -1.54 -0.49 0.00 0.00 175.26 173.91 3dic s SER 50 N -3.11 4.58 0.26 -0.19 1.04 -1.26 -4.15 113.70 110.88 3dic s SER 50 Ca 0.33 2.05 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 3dic s SER 50 Cb 0.06 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 63.95 3dic s SER 50 CO 0.10 -1.99 1.91 0.25 0.98 0.00 0.00 173.24 174.49 3dic h LEU 51 N -0.48 1.05 -0.78 2.42 5.85 -1.97 -1.99 115.31 119.41 3dic h LEU 51 Ca -0.46 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.22 3dic h LEU 51 Cb 1.25 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3dic h LEU 51 CO 0.51 0.80 0.51 0.00 -0.34 0.00 0.00 178.44 179.92 3dic h ALA 52 N 1.38 1.00 -0.54 1.25 0.00 -1.99 0.18 119.26 120.54 3dic h ALA 52 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3dic h ALA 52 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3dic h ALA 52 CO -0.06 0.37 0.04 -0.44 0.00 0.00 0.00 179.25 179.15 3dic h ASP 53 N 1.03 0.85 -0.17 0.00 5.19 -1.78 -0.59 116.42 120.95 3dic h ASP 53 Ca 0.30 -0.20 -0.21 0.00 -0.62 0.00 0.00 57.03 56.30 3dic h ASP 53 Cb -0.07 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.22 3dic h ASP 53 CO -0.08 0.89 -0.70 0.58 -3.12 0.00 0.00 179.24 176.81 3dic h VAL 54 N 0.83 1.29 -0.11 -1.35 2.07 -0.84 -3.04 116.25 115.10 3dic h VAL 54 Ca 0.16 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 3dic h VAL 54 Cb 0.44 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3dic h VAL 54 CO 0.02 0.60 -0.10 1.56 0.02 0.00 0.00 177.57 179.67 3dic h GLN 55 N 0.49 0.16 0.00 1.57 4.20 -0.45 -2.07 115.11 119.01 3dic h GLN 55 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3dic h GLN 55 Cb 1.33 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 3dic h GLN 55 CO 0.15 0.28 -0.03 0.00 -0.67 0.00 0.00 178.83 178.55 3dic h ALA 56 N 1.74 1.16 -0.01 3.87 0.00 -0.99 -2.59 119.26 122.43 3dic h ALA 56 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dic h ALA 56 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dic h ALA 56 CO 0.02 0.04 0.01 0.28 0.00 0.00 0.00 179.25 179.60 3dic h VAL 57 N 0.00 0.70 0.00 0.00 2.07 -1.37 -1.87 116.25 115.77 3dic h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dic h VAL 57 Cb 0.18 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3dic h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3dic n SER 59 N -1.62 2.77 0.00 0.00 3.41 -0.70 -5.00 113.62 112.48 3dic n SER 59 Ca 0.01 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 3dic n SER 59 Cb 0.08 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3dic n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dic n GLN 60 N -1.06 1.09 -2.51 4.33 6.02 -0.34 -4.99 117.38 119.91 3dic n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 3dic n GLN 60 Cb 0.68 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.92 3dic n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dic s LYS 61 N 4.04 3.81 -0.05 -1.09 2.47 -1.11 -4.88 119.74 122.93 3dic s LYS 61 Ca 0.00 0.92 -0.30 0.00 -1.56 0.00 0.00 55.97 55.03 3dic s LYS 61 Cb 0.00 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 3dic s LYS 61 CO 0.00 -1.25 1.28 1.21 0.16 0.00 0.00 175.35 176.74 3dic s ASN 62 N 2.67 6.97 0.06 1.43 2.47 -1.26 -0.50 114.94 126.78 3dic s ASN 62 Ca 0.52 1.91 -0.00 0.00 0.42 0.00 0.00 52.86 55.71 3dic s ASN 62 Cb -0.12 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.09 3dic s ASN 62 CO 0.26 -0.65 -0.04 0.68 -3.72 0.00 0.00 177.10 173.63 3dic s VAL 63 N 2.40 0.35 0.55 -5.21 -7.23 -0.06 -4.94 120.40 106.27 3dic s VAL 63 Ca 0.59 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 58.83 3dic s VAL 63 Cb -0.27 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3dic s VAL 63 CO 0.23 -0.89 1.19 0.00 -0.31 0.00 0.00 175.10 175.32 3dic s ALA 64 N -3.51 2.68 0.48 1.32 0.00 -1.26 -3.42 121.76 118.05 3dic s ALA 64 Ca 0.05 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 3dic s ALA 64 Cb 0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3dic s ALA 64 CO -0.07 -0.99 0.78 0.00 0.00 0.00 0.00 175.76 175.48 3dic h LYS 66 N 0.22 0.82 0.00 0.00 1.57 -1.92 0.89 116.57 118.15 3dic h LYS 66 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3dic h LYS 66 Cb 1.21 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3dic h LYS 66 CO 0.61 0.55 0.00 0.27 -0.57 0.00 0.00 179.45 180.31 3dic n ASN 67 N -4.51 0.00 0.00 0.86 6.94 -1.26 -4.87 115.26 112.42 3dic n ASN 67 Ca 0.14 -0.67 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 3dic n ASN 67 Cb 0.29 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 3dic n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dic n GLY 68 N 0.47 0.93 3.72 4.83 0.00 0.31 -5.05 105.19 110.39 3dic n GLY 68 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3dic n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dic s GLN 69 N -0.69 1.76 -0.14 1.61 -1.52 -1.26 -4.72 119.66 114.71 3dic s GLN 69 Ca 0.00 1.51 0.15 0.00 -1.95 0.00 0.00 55.36 55.08 3dic s GLN 69 Cb 0.00 -1.81 0.47 0.00 -0.22 0.00 0.00 33.01 31.44 3dic s GLN 69 CO 0.00 -2.07 1.37 0.25 -0.25 0.00 0.00 175.29 174.59 3dic n THR 70 N -3.50 1.98 -1.38 -0.19 -2.24 -1.26 -1.12 114.28 106.58 3dic n THR 70 Ca 0.12 -1.69 -0.18 0.00 -2.27 0.00 0.00 64.05 60.02 3dic n THR 70 Cb 0.52 -0.08 0.16 0.00 -2.10 0.00 0.00 70.33 68.83 3dic n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3dic n ASN 71 N -0.33 3.87 -4.83 3.42 6.94 -1.26 -4.81 115.26 118.26 3dic n ASN 71 Ca 0.19 -3.71 -0.32 0.00 -0.02 0.00 0.00 54.58 50.72 3dic n ASN 71 Cb 0.77 -0.76 -0.06 0.00 -2.36 0.00 0.00 39.78 37.38 3dic n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dic s TYR 73 N -1.35 0.60 -0.20 0.00 1.51 0.21 -0.88 117.35 117.24 3dic s TYR 73 Ca 0.28 -0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 3dic s TYR 73 Cb -0.12 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 3dic s TYR 73 CO 0.21 -0.04 0.04 -1.14 -1.11 0.00 0.00 175.55 173.51 3dic s GLN 74 N 0.01 3.78 0.31 -0.62 0.74 0.34 -1.09 119.66 123.14 3dic s GLN 74 Ca 0.00 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.68 3dic s GLN 74 Cb -0.04 -3.17 -0.12 0.00 1.10 0.00 0.00 33.01 30.78 3dic s GLN 74 CO -0.00 0.10 1.52 -1.13 -0.55 0.00 0.00 175.29 175.23 3dic n SER 75 N 4.03 3.63 0.06 6.67 3.41 -0.09 -2.74 113.62 128.58 3dic n SER 75 Ca -0.17 1.17 -0.01 0.00 -0.26 0.00 0.00 58.87 59.61 3dic n SER 75 Cb 0.52 -1.57 0.27 0.00 -0.26 0.00 0.00 64.21 63.17 3dic n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3dic h TYR 76 N 4.03 0.39 -1.77 7.33 0.05 -1.95 -3.43 116.97 121.63 3dic h TYR 76 Ca -0.48 -0.07 -0.52 0.00 0.05 0.00 0.00 58.73 57.71 3dic h TYR 76 Cb 1.24 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.82 3dic h TYR 76 CO 0.56 0.56 -0.47 -1.54 -1.05 0.00 0.00 178.16 176.22 3dic s SER 77 N -6.84 4.95 0.54 3.88 1.04 -1.26 -5.07 113.70 110.95 3dic s SER 77 Ca -0.06 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.52 3dic s SER 77 Cb 0.14 -0.76 -0.07 0.00 0.10 0.00 0.00 66.02 65.44 3dic s SER 77 CO 0.77 -0.42 1.00 0.42 0.98 0.00 0.00 173.24 175.99 3dic s THR 78 N -2.41 4.46 0.09 2.02 -4.23 -1.26 -4.42 115.64 109.90 3dic s THR 78 Ca 0.41 1.12 0.05 0.00 -1.18 0.00 0.00 61.69 62.09 3dic s THR 78 Cb -0.03 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 3dic s THR 78 CO 0.25 -0.73 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.43 3dic s MET 79 N -4.24 0.89 -0.00 3.99 -1.94 0.13 -4.84 119.30 113.29 3dic s MET 79 Ca 0.59 -1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.17 3dic s MET 79 Cb -0.11 -0.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.90 3dic s MET 79 CO 0.35 0.15 1.31 0.45 -0.01 0.00 0.00 175.02 177.27 3dic s SER 80 N -2.15 6.95 0.10 3.03 0.15 -1.26 -1.47 113.70 119.05 3dic s SER 80 Ca 0.03 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.70 3dic s SER 80 Cb -0.07 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3dic s SER 80 CO 0.02 -0.64 -0.02 0.27 1.20 0.00 0.00 173.24 174.08 3dic s ILE 81 N 2.06 0.43 -0.08 6.45 -4.36 0.41 -0.45 121.20 125.65 3dic s ILE 81 Ca 0.61 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 59.09 3dic s ILE 81 Cb -0.29 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.66 3dic s ILE 81 CO 0.26 -0.76 -0.04 -0.89 0.24 0.00 0.00 174.94 173.74 3dic s THR 82 N -3.81 0.66 -0.08 8.37 2.01 -0.16 -1.29 115.64 121.35 3dic s THR 82 Ca 0.15 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 3dic s THR 82 Cb 0.07 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 3dic s THR 82 CO -0.04 0.29 0.38 -0.62 -0.69 0.00 0.00 174.62 173.95 3dic s ASP 83 N 1.60 6.65 -0.16 3.53 2.15 0.23 -0.91 116.67 129.76 3dic s ASP 83 Ca 0.01 0.77 0.01 0.00 0.43 0.00 0.00 52.55 53.77 3dic s ASP 83 Cb -0.13 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.26 3dic s ASP 83 CO -0.05 0.18 -0.18 0.00 -0.17 0.00 0.00 175.17 174.95 3dic s ARG 85 N 0.98 0.04 0.40 0.00 0.52 -0.99 -0.82 118.95 119.08 3dic s ARG 85 Ca -0.02 -0.06 -0.27 0.00 -0.52 0.00 0.00 55.73 54.86 3dic s ARG 85 Cb -0.15 0.01 -0.10 0.00 0.52 0.00 0.00 34.95 35.24 3dic s ARG 85 CO -0.04 -0.01 1.43 -1.21 0.02 0.00 0.00 175.30 175.49 3dic s GLU 86 N -0.16 3.96 0.65 3.54 2.02 -0.38 -0.48 118.70 127.86 3dic s GLU 86 Ca -0.02 2.44 0.01 0.00 0.02 0.00 0.00 54.97 57.43 3dic s GLU 86 Cb -0.01 -2.84 0.10 0.00 0.10 0.00 0.00 34.13 31.47 3dic s GLU 86 CO -0.00 -0.60 0.90 0.95 0.02 0.00 0.00 175.26 176.53 3dic s THR 87 N -1.17 2.29 0.39 3.63 -4.23 -0.81 -4.79 115.64 110.95 3dic s THR 87 Ca 0.56 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 60.48 3dic s THR 87 Cb -0.44 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 70.97 3dic s THR 87 CO 0.58 0.00 1.95 1.23 -0.54 0.00 0.00 174.62 177.84 3dic h GLY 88 N -0.26 0.39 -0.36 3.99 0.00 -1.95 -2.46 103.07 102.43 3dic h GLY 88 Ca -0.37 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3dic h GLY 88 CO 0.43 0.20 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 3dic n SER 89 N -4.34 0.93 -4.72 0.19 3.41 -1.26 -4.86 113.62 102.97 3dic n SER 89 Ca 0.01 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 3dic n SER 89 Cb 0.20 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3dic n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dic s SER 90 N -1.37 7.19 -0.30 4.04 0.15 -0.93 -4.82 113.70 117.67 3dic s SER 90 Ca 0.24 1.94 -0.05 0.00 0.70 0.00 0.00 55.95 58.77 3dic s SER 90 Cb 0.12 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 3dic s SER 90 CO 0.18 -0.37 0.61 -0.75 1.20 0.00 0.00 173.24 174.11 3dic s LYS 91 N 0.79 0.56 0.33 5.44 2.20 -0.81 -4.88 119.74 123.37 3dic s LYS 91 Ca 0.55 1.21 -0.27 0.00 -0.36 0.00 0.00 55.97 57.10 3dic s LYS 91 Cb -0.27 0.68 -0.13 0.00 -1.51 0.00 0.00 37.83 36.59 3dic s LYS 91 CO 0.30 -0.41 1.01 0.98 -0.36 0.00 0.00 175.35 176.86 3dic n TYR 92 N 5.44 1.24 0.43 4.03 9.36 -1.26 0.70 117.16 137.09 3dic n TYR 92 Ca -0.06 0.65 0.01 0.00 3.32 0.00 0.00 57.90 61.82 3dic n TYR 92 Cb 0.50 -2.24 0.12 0.00 -0.63 0.00 0.00 39.34 37.08 3dic n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dic n PRO 93 N 0.56 2.10 -3.29 2.98 -0.04 -1.26 -4.95 135.00 131.11 3dic n PRO 93 Ca 0.09 -0.94 -0.33 0.00 -0.04 0.00 0.00 63.50 62.29 3dic n PRO 93 Cb 0.34 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 3dic n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dic n ASN 94 N 0.17 4.68 -4.76 3.54 3.02 0.22 -5.06 115.26 117.06 3dic n ASN 94 Ca 0.09 -3.43 -0.35 0.00 -0.03 0.00 0.00 54.58 50.86 3dic n ASN 94 Cb 0.56 -0.88 0.03 0.00 -0.61 0.00 0.00 39.78 38.88 3dic n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dic s ALA 96 N -1.84 -0.53 0.05 0.00 0.00 -1.26 -4.86 121.76 113.32 3dic s ALA 96 Ca 0.74 0.87 0.05 0.00 0.00 0.00 0.00 51.96 53.62 3dic s ALA 96 Cb -0.26 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3dic s ALA 96 CO 0.34 -0.17 -0.16 0.71 0.00 0.00 0.00 175.76 176.49 3dic s TYR 97 N 0.96 1.35 0.00 0.00 2.02 -1.26 -1.92 117.35 118.50 3dic s TYR 97 Ca -0.07 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 3dic s TYR 97 Cb -0.08 -0.80 -0.05 0.00 -0.40 0.00 0.00 41.96 40.63 3dic s TYR 97 CO -0.06 0.05 0.59 0.21 -1.57 0.00 0.00 175.55 174.78 3dic s LYS 98 N -1.23 4.30 -0.28 -0.62 2.20 0.36 -4.60 119.74 119.87 3dic s LYS 98 Ca 0.03 0.73 -0.09 0.00 -0.36 0.00 0.00 55.97 56.28 3dic s LYS 98 Cb -0.08 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3dic s LYS 98 CO 0.02 0.40 0.12 0.99 -0.36 0.00 0.00 175.35 176.51 3dic s THR 99 N -0.28 4.56 -0.23 3.43 2.01 -1.26 -2.35 115.64 121.51 3dic s THR 99 Ca 0.31 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3dic s THR 99 Cb -0.18 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.15 3dic s THR 99 CO 0.17 0.20 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.35 3dic s THR 100 N 1.63 1.57 0.09 -0.82 2.01 -0.34 -4.95 115.64 114.82 3dic s THR 100 Ca 0.06 -1.23 -0.24 0.00 0.31 0.00 0.00 61.69 60.59 3dic s THR 100 Cb -0.16 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.47 3dic s THR 100 CO 0.06 -0.08 0.72 -1.58 -0.69 0.00 0.00 174.62 173.04 3dic s GLN 101 N 1.38 4.46 0.24 4.92 2.00 -1.26 -0.60 119.66 130.79 3dic s GLN 101 Ca -0.06 1.01 -0.16 0.00 -2.00 0.00 0.00 55.36 54.16 3dic s GLN 101 Cb -0.19 -3.30 0.01 0.00 0.80 0.00 0.00 33.01 30.33 3dic s GLN 101 CO -0.06 0.45 0.54 0.00 -0.50 0.00 0.00 175.29 175.72 3dic s ALA 102 N -0.64 -0.61 -0.26 1.58 0.00 -0.41 -4.99 121.76 116.43 3dic s ALA 102 Ca 0.35 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3dic s ALA 102 Cb -0.21 0.96 0.07 0.00 0.00 0.00 0.00 23.12 23.94 3dic s ALA 102 CO 0.23 -0.88 -0.05 -0.80 0.00 0.00 0.00 175.76 174.27 3dic s ASN 103 N -2.96 4.21 0.23 0.00 0.01 -1.26 -0.45 114.94 114.72 3dic s ASN 103 Ca 0.17 -1.44 -0.09 0.00 -0.71 0.00 0.00 52.86 50.79 3dic s ASN 103 Cb -0.02 -1.35 -0.02 0.00 0.41 0.00 0.00 41.25 40.27 3dic s ASN 103 CO 0.06 -0.26 0.36 -0.54 -1.51 0.00 0.00 177.10 175.21 3dic s LYS 104 N 1.23 1.44 0.37 -0.60 1.02 -0.54 -4.78 119.74 117.88 3dic s LYS 104 Ca -0.03 -1.39 -0.25 0.00 0.02 0.00 0.00 55.97 54.32 3dic s LYS 104 Cb -0.19 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.43 3dic s LYS 104 CO -0.07 -0.56 1.01 -1.01 -0.92 0.00 0.00 175.35 173.79 3dic s HIS 105 N -4.04 3.44 0.11 3.18 3.76 -0.01 0.20 115.29 121.93 3dic s HIS 105 Ca 0.28 1.70 0.05 0.00 -0.15 0.00 0.00 55.06 56.94 3dic s HIS 105 Cb 0.02 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 3dic s HIS 105 CO 0.10 -0.29 0.04 0.96 -0.85 0.00 0.00 174.74 174.71 3dic s ILE 106 N -1.65 4.17 -0.18 0.60 -4.36 -1.26 -0.06 121.20 118.46 3dic s ILE 106 Ca 0.54 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 3dic s ILE 106 Cb -0.21 -3.03 0.02 0.00 1.25 0.00 0.00 42.46 40.50 3dic s ILE 106 CO 0.26 0.05 -0.18 -0.63 0.24 0.00 0.00 174.94 174.68 3dic s ILE 107 N -1.46 1.97 0.04 8.37 1.09 0.59 -0.92 121.20 130.88 3dic s ILE 107 Ca 0.28 -0.93 0.08 0.00 -1.10 0.00 0.00 60.65 58.99 3dic s ILE 107 Cb -0.11 -1.81 -0.03 0.00 -1.06 0.00 0.00 42.46 39.45 3dic s ILE 107 CO 0.20 0.49 -0.24 0.00 -0.10 0.00 0.00 174.94 175.28 3dic s ALA 108 N 1.32 2.06 -0.05 9.38 0.00 -0.25 -0.36 121.76 133.87 3dic s ALA 108 Ca 0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 3dic s ALA 108 Cb -0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3dic s ALA 108 CO -0.12 0.48 0.60 0.00 0.00 0.00 0.00 175.76 176.73 3dic s ALA 109 N -0.76 3.43 0.11 0.00 0.00 -0.31 -0.62 121.76 123.61 3dic s ALA 109 Ca 0.10 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.18 3dic s ALA 109 Cb -0.09 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3dic s ALA 109 CO 0.02 0.04 -0.24 0.00 0.00 0.00 0.00 175.76 175.57 3dic s GLU 111 N -1.91 1.20 0.13 0.00 -1.05 -0.58 -4.88 118.70 111.61 3dic s GLU 111 Ca 0.15 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 3dic s GLU 111 Cb -0.10 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3dic s GLU 111 CO 0.06 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.15 3dic n GLY 112 N -0.35 -2.99 2.66 -3.83 0.00 -1.26 -2.54 105.19 96.88 3dic n GLY 112 Ca -0.14 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 3dic n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dic s ASN 113 N -1.93 2.63 0.73 1.61 2.47 -1.26 -2.34 114.94 116.85 3dic s ASN 113 Ca 0.00 -0.73 -0.15 0.00 0.42 0.00 0.00 52.86 52.40 3dic s ASN 113 Cb 0.00 -0.40 0.04 0.00 -1.45 0.00 0.00 41.25 39.44 3dic s ASN 113 CO 0.00 -0.33 1.25 -0.81 -3.72 0.00 0.00 177.10 173.48 3dic n PRO 114 N 5.18 0.62 -2.83 0.43 -0.04 -1.26 -5.08 135.00 132.01 3dic n PRO 114 Ca -0.08 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 3dic n PRO 114 Cb 0.48 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 3dic n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dic s TYR 115 N -1.78 2.74 0.30 0.54 5.04 -0.99 -4.89 117.35 118.32 3dic s TYR 115 Ca 0.78 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 3dic s TYR 115 Cb -0.33 -4.15 -0.06 0.00 0.35 0.00 0.00 41.96 37.77 3dic s TYR 115 CO 0.46 -1.46 0.07 0.14 -1.34 0.00 0.00 175.55 173.42 3dic s VAL 116 N 4.05 0.98 0.21 3.14 -7.23 -1.05 -4.84 120.40 115.66 3dic s VAL 116 Ca 0.28 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 3dic s VAL 116 Cb -0.14 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 3dic s VAL 116 CO 0.17 0.00 1.42 -2.84 -0.31 0.00 0.00 175.10 173.54 3dic s PRO 117 N -3.94 4.29 0.00 4.82 0.02 -1.26 -1.52 135.00 137.41 3dic s PRO 117 Ca 0.37 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3dic s PRO 117 Cb 0.08 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3dic s PRO 117 CO 0.15 -0.42 0.01 1.33 -0.33 0.00 0.00 177.00 177.75 3dic n VAL 118 N 2.89 0.00 -3.71 3.83 0.24 0.57 -4.47 118.33 117.68 3dic n VAL 118 Ca 0.08 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3dic n VAL 118 Cb 0.41 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.69 3dic n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3dic s HIS 119 N -0.75 -0.43 -0.42 6.34 3.76 -1.11 -4.67 115.29 118.01 3dic s HIS 119 Ca 0.00 0.96 -0.17 0.00 -0.15 0.00 0.00 55.06 55.70 3dic s HIS 119 Cb 0.00 0.17 0.02 0.00 1.11 0.00 0.00 32.58 33.88 3dic s HIS 119 CO 0.00 -0.30 0.43 0.12 -0.85 0.00 0.00 174.74 174.13 3dic s PHE 120 N -0.26 3.18 -0.05 1.40 2.19 -1.26 -1.16 117.98 122.01 3dic s PHE 120 Ca -0.04 -0.37 -0.21 0.00 0.33 0.00 0.00 56.93 56.63 3dic s PHE 120 Cb -0.03 -2.87 -0.31 0.00 -1.31 0.00 0.00 43.02 38.50 3dic s PHE 120 CO 0.02 -0.68 0.86 0.22 1.83 0.00 0.00 175.22 177.47 3dic h ASP 121 N 8.71 0.45 0.00 6.13 3.58 -1.05 -3.49 116.42 130.76 3dic h ASP 121 Ca -0.27 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.24 3dic h ASP 121 Cb 1.11 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.01 3dic h ASP 121 CO 0.79 1.41 0.00 0.00 -2.88 0.00 0.00 179.24 178.56 3dic n ALA 122 N -2.70 0.00 -2.52 -0.78 0.00 -1.16 -4.95 120.51 108.40 3dic n ALA 122 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 3dic n ALA 122 Cb 0.83 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 3dic n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dic s SER 123 N 0.00 1.96 0.00 0.00 1.04 -1.26 -0.30 113.70 115.14 3dic s SER 123 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3dic s SER 123 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3dic s SER 123 CO 0.00 -0.13 0.18 0.52 0.98 0.00 0.00 173.24 174.79