#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n LYS 2 N 0.00 1.00 -1.99 0.00 5.02 -1.26 -5.07 118.16 115.86 3df2 n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3df2 n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3df2 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3df2 s LYS 3 N 1.09 2.65 -0.11 1.97 2.20 -1.26 -4.92 119.74 121.37 3df2 s LYS 3 Ca 0.00 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 3df2 s LYS 3 Cb 0.00 -4.39 -0.06 0.00 -1.51 0.00 0.00 37.83 31.88 3df2 s LYS 3 CO 0.00 -2.69 1.84 0.54 -0.36 0.00 0.00 175.35 174.68 3df2 s VAL 4 N 9.14 3.34 0.42 4.02 0.11 -1.26 -4.98 120.40 131.19 3df2 s VAL 4 Ca 0.71 0.39 0.07 0.00 -2.93 0.00 0.00 61.98 60.23 3df2 s VAL 4 Cb -0.14 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 3df2 s VAL 4 CO 0.23 -0.10 0.26 -1.58 -3.33 0.00 0.00 175.10 170.57 3df2 s GLN 5 N 4.78 2.33 -0.48 1.54 0.74 -1.26 -5.04 119.66 122.27 3df2 s GLN 5 Ca 0.82 -1.76 -0.27 0.00 0.05 0.00 0.00 55.36 54.20 3df2 s GLN 5 Cb -0.34 -2.11 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 3df2 s GLN 5 CO 0.34 -0.18 2.06 0.00 -0.55 0.00 0.00 175.29 176.96 3df2 s ALA 6 N -2.57 2.19 0.18 1.58 0.00 -1.26 -4.91 121.76 116.96 3df2 s ALA 6 Ca 0.42 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 3df2 s ALA 6 Cb 0.01 -4.24 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 3df2 s ALA 6 CO 0.24 -3.72 0.29 1.52 0.00 0.00 0.00 175.76 174.10 3df2 s TYR 7 N 9.58 0.46 -0.01 0.00 -0.85 -1.26 -3.03 117.35 122.25 3df2 s TYR 7 Ca 0.83 -0.81 0.07 0.00 -0.52 0.00 0.00 57.07 56.64 3df2 s TYR 7 Cb -0.18 -0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.07 3df2 s TYR 7 CO 0.26 -0.75 -0.22 0.14 -1.52 0.00 0.00 175.55 173.47 3df2 s VAL 8 N -3.99 1.71 -0.00 -3.49 -7.23 0.60 -4.99 120.40 103.01 3df2 s VAL 8 Ca 0.20 -0.97 0.06 0.00 -1.81 0.00 0.00 61.98 59.45 3df2 s VAL 8 Cb 0.03 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3df2 s VAL 8 CO 0.02 0.44 -0.17 -1.59 -0.31 0.00 0.00 175.10 173.50 3df2 s LYS 9 N -0.61 2.27 -0.11 4.82 -2.85 -1.26 -0.46 119.74 121.54 3df2 s LYS 9 Ca 0.08 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 3df2 s LYS 9 Cb -0.08 -2.27 0.11 0.00 -2.06 0.00 0.00 37.83 33.53 3df2 s LYS 9 CO -0.00 0.58 0.93 -0.48 0.10 0.00 0.00 175.35 176.48 3df2 s LEU 10 N -1.08 -0.40 -0.37 2.77 0.05 -0.90 -5.02 118.68 113.73 3df2 s LEU 10 Ca 0.13 0.34 -0.08 0.00 0.05 0.00 0.00 54.13 54.56 3df2 s LEU 10 Cb -0.11 1.98 0.05 0.00 -2.05 0.00 0.00 46.19 46.07 3df2 s LEU 10 CO 0.03 -0.45 0.18 0.00 -0.55 0.00 0.00 176.35 175.56 3df2 s GLN 11 N -1.64 2.65 0.13 1.48 -2.07 -1.26 -0.41 119.66 118.55 3df2 s GLN 11 Ca -0.01 -1.25 0.07 0.00 -1.82 0.00 0.00 55.36 52.34 3df2 s GLN 11 Cb -0.01 -3.63 -0.04 0.00 -1.09 0.00 0.00 33.01 28.24 3df2 s GLN 11 CO -0.00 -0.77 -0.03 0.14 -1.32 0.00 0.00 175.29 173.31 3df2 s VAL 12 N 1.44 3.70 0.99 3.63 -7.23 -1.15 -4.89 120.40 116.90 3df2 s VAL 12 Ca 0.01 -1.27 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 3df2 s VAL 12 Cb -0.21 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 33.95 3df2 s VAL 12 CO 0.03 0.01 0.09 0.00 -0.31 0.00 0.00 175.10 174.92 3df2 n ALA 13 N 0.27 -3.43 -1.00 1.32 0.00 -1.26 -2.18 120.51 114.23 3df2 n ALA 13 Ca -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3df2 n ALA 13 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3df2 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 n ALA 14 N -3.61 0.00 -3.14 0.00 0.00 -1.25 -4.25 120.51 108.25 3df2 n ALA 14 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3df2 n ALA 14 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3df2 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 15 N -0.31 4.84 0.00 0.00 0.00 -1.26 -4.55 105.19 103.91 3df2 n GLY 15 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 3df2 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3df2 n MET 16 N 1.74 0.00 -3.87 1.61 0.00 -1.26 -5.06 117.12 110.27 3df2 n MET 16 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.93 3df2 n MET 16 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.59 3df2 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3df2 s ALA 17 N -0.25 -1.69 0.00 -5.12 0.00 -1.26 -4.28 121.76 109.15 3df2 s ALA 17 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3df2 s ALA 17 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3df2 s ALA 17 CO 0.00 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.98 3df2 n ASN 18 N -1.12 0.00 -4.77 0.00 5.15 -1.26 -4.98 115.26 108.27 3df2 n ASN 18 Ca -0.03 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 3df2 n ASN 18 Cb 0.60 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 3df2 n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3df2 s PRO 19 N -0.99 4.13 0.09 1.20 0.04 -1.26 -4.57 135.00 133.64 3df2 s PRO 19 Ca 0.00 2.37 -0.33 0.00 0.04 0.00 0.00 61.00 63.08 3df2 s PRO 19 Cb 0.00 -2.94 -0.16 0.00 0.04 0.00 0.00 34.50 31.44 3df2 s PRO 19 CO 0.00 -0.43 1.60 1.03 0.04 0.00 0.00 177.00 179.24 3df2 h SER 20 N 3.01 -1.03 0.14 6.66 0.87 -1.98 -1.39 113.55 119.84 3df2 h SER 20 Ca -0.50 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 3df2 h SER 20 Cb 1.24 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 63.48 3df2 h SER 20 CO 0.64 -0.57 -0.40 -0.65 -0.53 0.00 0.00 176.83 175.32 3df2 h PRO 21 N -0.88 -0.62 0.52 2.24 0.11 -1.99 -3.25 132.00 128.14 3df2 h PRO 21 Ca -0.05 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3df2 h PRO 21 Cb 0.75 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3df2 h PRO 21 CO 0.00 -0.41 -0.30 -1.35 -0.21 0.00 0.00 178.00 175.73 3df2 h PRO 22 N -0.64 -0.74 0.00 1.05 0.11 -1.96 -3.46 132.00 126.36 3df2 h PRO 22 Ca 0.02 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3df2 h PRO 22 Cb 0.66 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3df2 h PRO 22 CO -0.22 -0.49 0.00 1.33 -0.21 0.00 0.00 178.00 178.41 3df2 n VAL 23 N -4.22 0.00 0.00 3.15 0.24 -0.53 -4.77 118.33 112.20 3df2 n VAL 23 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3df2 n VAL 23 Cb 0.31 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 3df2 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df2 n GLY 24 N 5.00 1.55 0.55 7.63 0.00 -1.19 -1.55 105.19 117.18 3df2 n GLY 24 Ca 0.00 0.54 0.37 0.00 0.00 0.00 0.00 46.02 46.93 3df2 n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3df2 h PRO 25 N 0.00 0.05 0.00 1.61 0.11 -1.88 0.85 132.00 132.75 3df2 h PRO 25 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3df2 h PRO 25 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3df2 h PRO 25 CO 0.00 0.03 -0.19 0.00 -0.21 0.00 0.00 178.00 177.64 3df2 h ALA 26 N 1.38 -0.66 0.00 -0.75 0.00 -1.53 -2.87 119.26 114.82 3df2 h ALA 26 Ca 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3df2 h ALA 26 Cb 2.48 0.66 0.00 0.00 0.00 0.00 0.00 17.79 20.93 3df2 h ALA 26 CO -0.08 -0.72 -0.79 1.47 0.00 0.00 0.00 179.25 179.14 3df2 n LEU 27 N -3.52 0.64 0.23 0.00 -0.00 -0.96 -4.12 117.00 109.26 3df2 n LEU 27 Ca -0.03 -0.06 0.07 0.00 -0.00 0.00 0.00 56.01 55.99 3df2 n LEU 27 Cb 0.14 -0.15 0.59 0.00 -0.00 0.00 0.00 43.42 44.00 3df2 n LEU 27 CO 0.04 0.09 1.04 1.23 -0.00 0.00 0.00 177.39 179.80 3df2 h GLY 28 N 4.77 0.05 1.22 1.47 0.00 0.85 -1.89 103.07 109.55 3df2 h GLY 28 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3df2 h GLY 28 CO 0.00 0.02 0.29 1.46 0.00 0.00 0.00 176.54 178.31 3df2 h GLN 29 N 0.05 1.00 0.00 4.80 1.08 -1.66 -1.11 115.11 119.27 3df2 h GLN 29 Ca 0.01 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3df2 h GLN 29 Cb 0.07 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3df2 h GLN 29 CO 0.00 0.80 0.00 1.96 -0.95 0.00 0.00 178.83 180.64 3df2 h GLN 30 N 0.98 0.00 0.00 1.46 1.08 -1.61 -3.45 115.11 113.58 3df2 h GLN 30 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3df2 h GLN 30 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3df2 h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 3df2 n GLY 31 N -0.44 1.44 3.80 3.46 0.00 -0.42 -4.98 105.19 108.05 3df2 n GLY 31 Ca -0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3df2 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df2 s VAL 32 N -2.00 3.92 -1.03 1.61 1.01 -1.17 -4.79 120.40 117.96 3df2 s VAL 32 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 3df2 s VAL 32 Cb 0.00 -3.48 0.17 0.00 0.00 0.00 0.00 36.38 33.07 3df2 s VAL 32 CO 0.00 -0.33 1.18 0.20 0.00 0.00 0.00 175.10 176.15 3df2 s ASN 33 N -2.24 6.85 0.20 3.32 0.01 -1.26 -4.71 114.94 117.11 3df2 s ASN 33 Ca 0.65 -2.57 -0.16 0.00 -0.71 0.00 0.00 52.86 50.07 3df2 s ASN 33 Cb -0.15 -2.36 0.19 0.00 0.41 0.00 0.00 41.25 39.34 3df2 s ASN 33 CO 0.23 -0.83 1.61 0.40 -1.51 0.00 0.00 177.10 177.00 3df2 h ILE 34 N 5.13 0.30 -0.66 0.60 1.08 -1.94 -0.86 117.51 121.16 3df2 h ILE 34 Ca 0.21 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.79 3df2 h ILE 34 Cb 0.96 0.30 -0.09 0.00 -3.07 0.00 0.00 36.82 34.93 3df2 h ILE 34 CO 1.10 0.00 0.21 -0.03 -0.69 0.00 0.00 178.15 178.74 3df2 h MET 35 N -0.07 0.35 -0.16 2.37 4.05 -1.97 0.35 114.93 119.85 3df2 h MET 35 Ca 0.27 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.63 3df2 h MET 35 Cb 0.50 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3df2 h MET 35 CO -0.65 0.23 -0.05 1.49 0.23 0.00 0.00 176.91 178.17 3df2 h GLU 36 N 0.36 0.31 0.13 0.39 4.81 -1.64 -3.14 114.58 115.80 3df2 h GLU 36 Ca 0.35 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3df2 h GLU 36 Cb 0.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3df2 h GLU 36 CO -0.38 0.60 -0.06 0.35 -0.73 0.00 0.00 179.01 178.78 3df2 h PHE 37 N 0.00 -0.17 -0.63 0.92 3.57 -0.72 0.10 116.94 120.02 3df2 h PHE 37 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.66 3df2 h PHE 37 Cb 0.49 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.18 3df2 h PHE 37 CO 0.06 0.00 0.08 0.00 -2.23 0.00 0.00 178.31 176.21 3df2 h LYS 39 N 0.19 0.29 -0.21 0.00 3.64 -1.49 -2.87 116.57 116.12 3df2 h LYS 39 Ca 0.33 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 3df2 h LYS 39 Cb 0.53 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3df2 h LYS 39 CO -0.48 0.98 -0.39 0.00 -2.27 0.00 0.00 179.45 177.29 3df2 h ALA 40 N 0.93 0.33 0.35 5.00 0.00 0.53 -2.78 119.26 123.61 3df2 h ALA 40 Ca -0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3df2 h ALA 40 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3df2 h ALA 40 CO 0.14 0.43 -0.17 0.35 0.00 0.00 0.00 179.25 179.99 3df2 h PHE 41 N 0.33 -0.44 -1.03 0.00 3.57 0.10 -3.03 116.94 116.45 3df2 h PHE 41 Ca 0.01 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.80 3df2 h PHE 41 Cb 0.99 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 3df2 h PHE 41 CO 0.09 -0.27 0.77 -0.91 -2.23 0.00 0.00 178.31 175.76 3df2 h ASN 42 N -0.53 0.00 0.31 0.41 2.35 -1.64 -0.71 115.58 115.75 3df2 h ASN 42 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3df2 h ASN 42 Cb 0.36 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3df2 h ASN 42 CO 0.08 0.00 -0.48 0.00 -1.65 0.00 0.00 177.43 175.38 3df2 h ALA 43 N 1.42 -1.05 0.00 -0.83 0.00 -1.36 -2.23 119.26 115.21 3df2 h ALA 43 Ca 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3df2 h ALA 43 Cb 2.03 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 20.58 3df2 h ALA 43 CO -0.01 -1.12 -0.57 -0.22 0.00 0.00 0.00 179.25 177.33 3df2 h LYS 44 N -0.83 0.00 -0.50 0.00 3.64 -1.43 -3.32 116.57 114.14 3df2 h LYS 44 Ca -0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3df2 h LYS 44 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3df2 h LYS 44 CO -0.15 0.29 0.14 1.15 -2.27 0.00 0.00 179.45 178.62 3df2 h THR 45 N 0.00 1.21 -0.54 1.00 2.02 -1.03 -1.59 112.91 113.97 3df2 h THR 45 Ca -0.03 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3df2 h THR 45 Cb 1.28 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3df2 h THR 45 CO 0.04 0.27 0.36 0.44 0.37 0.00 0.00 175.52 176.99 3df2 h ASP 46 N 0.73 0.62 -0.13 4.18 3.32 -1.50 0.30 116.42 123.93 3df2 h ASP 46 Ca 0.17 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3df2 h ASP 46 Cb 0.24 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3df2 h ASP 46 CO -0.01 0.45 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.67 3df2 h SER 47 N 0.73 0.23 0.54 6.45 0.87 -1.65 -3.28 113.55 117.43 3df2 h SER 47 Ca 0.20 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3df2 h SER 47 Cb -0.08 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3df2 h SER 47 CO -0.04 0.50 -0.48 0.40 -0.53 0.00 0.00 176.83 176.67 3df2 h ILE 48 N -0.05 0.05 0.00 2.23 2.04 -1.07 -3.46 117.51 117.24 3df2 h ILE 48 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3df2 h ILE 48 Cb 0.38 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3df2 h ILE 48 CO 0.01 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.32 3df2 n GLU 49 N -5.56 0.00 -4.09 2.37 0.28 0.07 -5.10 120.64 108.61 3df2 n GLU 49 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.59 3df2 n GLU 49 Cb 0.46 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.26 3df2 n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3df2 s LYS 50 N -0.18 2.78 0.00 3.44 1.02 -1.26 -4.51 119.74 121.04 3df2 s LYS 50 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3df2 s LYS 50 Cb 0.00 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3df2 s LYS 50 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3df2 n GLY 51 N 0.18 1.51 3.19 -3.33 0.00 -1.26 -5.02 105.19 100.46 3df2 n GLY 51 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3df2 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df2 s LEU 52 N 0.00 2.75 -0.07 0.99 1.02 -1.26 -4.89 118.68 117.21 3df2 s LEU 52 Ca 0.00 -0.71 -0.32 0.00 0.02 0.00 0.00 54.13 53.12 3df2 s LEU 52 Cb 0.00 -1.61 -0.10 0.00 0.02 0.00 0.00 46.19 44.50 3df2 s LEU 52 CO 0.00 -0.06 1.97 -2.65 0.02 0.00 0.00 176.35 175.63 3df2 n PRO 53 N 4.67 2.34 -4.26 1.29 -0.02 -1.26 -3.82 135.00 133.93 3df2 n PRO 53 Ca -0.18 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 3df2 n PRO 53 Cb 0.49 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.00 3df2 n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3df2 s ILE 54 N 4.85 3.07 -0.03 4.25 1.01 -0.93 -4.41 121.20 129.01 3df2 s ILE 54 Ca 0.93 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3df2 s ILE 54 Cb -0.57 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3df2 s ILE 54 CO 0.47 0.48 1.17 -2.16 0.00 0.00 0.00 174.94 174.89 3df2 s PRO 55 N 1.02 4.39 0.08 2.79 0.04 -1.26 -2.92 135.00 139.14 3df2 s PRO 55 Ca -0.01 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.78 3df2 s PRO 55 Cb -0.15 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 3df2 s PRO 55 CO -0.01 -0.37 -0.25 0.54 0.04 0.00 0.00 177.00 176.95 3df2 s VAL 56 N 1.86 2.07 -0.43 -0.36 0.11 0.46 -3.59 120.40 120.53 3df2 s VAL 56 Ca 0.55 -1.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.00 3df2 s VAL 56 Cb -0.25 -1.81 0.10 0.00 -1.53 0.00 0.00 36.38 32.89 3df2 s VAL 56 CO 0.24 0.19 0.27 -0.69 -3.33 0.00 0.00 175.10 171.78 3df2 s VAL 57 N -0.94 4.03 -0.19 2.04 1.01 -1.21 -2.12 120.40 123.02 3df2 s VAL 57 Ca 0.11 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 3df2 s VAL 57 Cb -0.10 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3df2 s VAL 57 CO 0.04 -0.62 0.89 -0.63 0.00 0.00 0.00 175.10 174.78 3df2 s ILE 58 N 1.35 4.82 -0.36 2.22 1.09 0.39 -3.25 121.20 127.46 3df2 s ILE 58 Ca 0.05 1.74 -0.07 0.00 -1.10 0.00 0.00 60.65 61.27 3df2 s ILE 58 Cb -0.24 -4.19 0.06 0.00 -1.06 0.00 0.00 42.46 37.03 3df2 s ILE 58 CO -0.00 -0.04 0.15 -0.89 -0.10 0.00 0.00 174.94 174.06 3df2 s THR 59 N 2.52 3.81 0.18 2.92 2.01 0.15 -0.29 115.64 126.94 3df2 s THR 59 Ca 0.40 -1.31 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 3df2 s THR 59 Cb -0.16 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 3df2 s THR 59 CO 0.10 -0.31 0.58 -0.69 -0.69 0.00 0.00 174.62 173.62 3df2 s VAL 60 N 1.38 4.82 0.56 3.82 1.01 -1.17 -1.21 120.40 129.60 3df2 s VAL 60 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.90 3df2 s VAL 60 Cb -0.21 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.49 3df2 s VAL 60 CO 0.02 0.18 0.47 -0.31 0.00 0.00 0.00 175.10 175.45 3df2 s TYR 61 N -1.54 1.53 0.44 5.22 2.02 -0.22 -4.68 117.35 120.11 3df2 s TYR 61 Ca 0.41 -0.84 0.18 0.00 -0.37 0.00 0.00 57.07 56.45 3df2 s TYR 61 Cb -0.14 -1.95 1.13 0.00 -0.40 0.00 0.00 41.96 40.60 3df2 s TYR 61 CO 0.20 -0.61 2.01 0.00 -1.57 0.00 0.00 175.55 175.58 3df2 h ALA 62 N 0.64 1.54 -0.04 3.71 0.00 -1.98 -0.10 119.26 123.03 3df2 h ALA 62 Ca -0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3df2 h ALA 62 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3df2 h ALA 62 CO 0.54 0.22 0.01 -0.25 0.00 0.00 0.00 179.25 179.78 3df2 n ASP 63 N -4.09 2.04 -0.38 0.00 8.00 -1.26 -4.79 116.55 116.08 3df2 n ASP 63 Ca -0.02 -2.06 -0.02 0.00 0.71 0.00 0.00 54.79 53.40 3df2 n ASP 63 Cb 0.25 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 3df2 n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3df2 n ARG 64 N 0.20 -1.72 -0.85 -1.24 -4.01 -0.05 -4.88 116.66 104.13 3df2 n ARG 64 Ca 0.02 0.20 -0.09 0.00 -1.04 0.00 0.00 57.85 56.94 3df2 n ARG 64 Cb 0.41 -3.59 0.06 0.00 -3.04 0.00 0.00 32.46 26.31 3df2 n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3df2 n SER 65 N 1.41 0.17 -3.63 2.89 2.88 -1.26 -4.55 113.62 111.53 3df2 n SER 65 Ca -0.02 -1.23 -0.05 0.00 -1.33 0.00 0.00 58.87 56.24 3df2 n SER 65 Cb 0.15 -0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 3df2 n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3df2 s PHE 66 N -1.65 -0.20 0.20 0.66 -0.12 -1.26 -1.06 117.98 114.56 3df2 s PHE 66 Ca 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 56.93 57.12 3df2 s PHE 66 Cb -0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 3df2 s PHE 66 CO 0.17 -0.59 0.13 -0.08 -0.05 0.00 0.00 175.22 174.80 3df2 s THR 67 N -3.02 0.01 -0.26 -4.49 -1.32 -0.35 -4.95 115.64 101.26 3df2 s THR 67 Ca 0.10 -1.98 -0.25 0.00 -1.21 0.00 0.00 61.69 58.34 3df2 s THR 67 Cb -0.00 -2.47 0.07 0.00 -1.51 0.00 0.00 72.50 68.59 3df2 s THR 67 CO -0.03 -0.03 0.73 0.72 -2.21 0.00 0.00 174.62 173.80 3df2 s PHE 68 N -4.15 -0.77 -0.21 9.09 -0.71 -1.26 0.33 117.98 120.29 3df2 s PHE 68 Ca 0.38 1.86 -0.05 0.00 -1.04 0.00 0.00 56.93 58.08 3df2 s PHE 68 Cb 0.07 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 3df2 s PHE 68 CO 0.11 -0.39 0.01 0.08 -1.34 0.00 0.00 175.22 173.69 3df2 s VAL 69 N 0.30 3.90 -0.42 -2.49 1.01 -1.20 -4.95 120.40 116.54 3df2 s VAL 69 Ca -0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 3df2 s VAL 69 Cb -0.05 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3df2 s VAL 69 CO 0.01 0.41 0.71 -0.89 0.00 0.00 0.00 175.10 175.34 3df2 s THR 70 N 1.24 4.76 0.00 3.92 2.01 -1.26 -3.30 115.64 123.00 3df2 s THR 70 Ca 0.03 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3df2 s THR 70 Cb -0.15 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.13 3df2 s THR 70 CO 0.01 -0.58 0.00 0.29 -0.69 0.00 0.00 174.62 173.65 3df2 n LYS 71 N 6.42 1.37 -2.74 4.92 5.02 -1.24 -5.09 118.16 126.82 3df2 n LYS 71 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 3df2 n LYS 71 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 3df2 n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3df2 s THR 72 N 0.90 4.79 0.63 -0.18 -4.23 -1.26 -4.70 115.64 111.59 3df2 s THR 72 Ca 0.00 0.59 -0.18 0.00 -1.18 0.00 0.00 61.69 60.93 3df2 s THR 72 Cb 0.00 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3df2 s THR 72 CO 0.00 -0.62 1.22 -2.16 -0.54 0.00 0.00 174.62 172.52 3df2 s PRO 73 N -4.08 2.72 0.75 3.99 0.04 -1.26 -4.51 135.00 132.64 3df2 s PRO 73 Ca 0.51 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 3df2 s PRO 73 Cb -0.10 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3df2 s PRO 73 CO 0.35 -1.41 0.23 -2.30 0.04 0.00 0.00 177.00 173.91 3df2 n PRO 74 N -1.92 0.15 0.17 0.56 -0.02 -1.26 -4.80 135.00 127.89 3df2 n PRO 74 Ca 0.14 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 3df2 n PRO 74 Cb 0.50 -1.59 0.28 0.00 -0.02 0.00 0.00 33.50 32.67 3df2 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df2 h ALA 75 N -0.52 0.99 -0.21 3.55 0.00 -1.98 -2.46 119.26 118.63 3df2 h ALA 75 Ca -0.44 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 3df2 h ALA 75 Cb 1.35 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3df2 h ALA 75 CO 0.39 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.93 3df2 h ALA 76 N 1.55 0.31 -0.30 0.00 0.00 -1.92 -2.31 119.26 116.59 3df2 h ALA 76 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3df2 h ALA 76 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3df2 h ALA 76 CO 0.06 0.30 -0.33 -0.39 0.00 0.00 0.00 179.25 178.89 3df2 h VAL 77 N 0.22 1.28 -0.06 0.00 -1.51 -1.90 -1.77 116.25 112.52 3df2 h VAL 77 Ca 0.03 -1.47 -0.09 0.00 -1.23 0.00 0.00 66.70 63.94 3df2 h VAL 77 Cb 0.83 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3df2 h VAL 77 CO 0.06 0.47 -0.39 -0.07 -1.23 0.00 0.00 177.57 176.41 3df2 h LEU 78 N 0.55 0.12 -0.22 4.19 3.38 -1.44 -2.42 115.31 119.48 3df2 h LEU 78 Ca 0.06 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 3df2 h LEU 78 Cb 0.84 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3df2 h LEU 78 CO 0.07 0.51 -0.92 -0.07 0.09 0.00 0.00 178.44 178.12 3df2 h LEU 79 N 0.10 0.20 -0.39 1.67 3.38 -1.20 -1.94 115.31 117.13 3df2 h LEU 79 Ca 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3df2 h LEU 79 Cb 0.74 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3df2 h LEU 79 CO 0.06 1.01 0.07 0.11 0.09 0.00 0.00 178.44 179.77 3df2 h LYS 80 N 0.07 0.64 -0.28 1.13 1.57 -0.99 0.24 116.57 118.94 3df2 h LYS 80 Ca -0.04 -0.17 -0.18 0.00 -1.87 0.00 0.00 60.65 58.39 3df2 h LYS 80 Cb 1.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.81 3df2 h LYS 80 CO 0.14 0.69 -0.52 1.57 -0.57 0.00 0.00 179.45 180.75 3df2 h LYS 81 N 0.48 0.85 -0.53 3.15 2.10 -1.49 0.10 116.57 121.24 3df2 h LYS 81 Ca 0.12 -0.54 -0.04 0.00 -2.00 0.00 0.00 60.65 58.19 3df2 h LYS 81 Cb 0.36 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 3df2 h LYS 81 CO 0.01 1.17 0.17 0.00 -2.00 0.00 0.00 179.45 178.80 3df2 h ALA 82 N 0.67 1.30 0.00 0.07 0.00 -1.21 -1.54 119.26 118.55 3df2 h ALA 82 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3df2 h ALA 82 Cb 1.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3df2 h ALA 82 CO 0.12 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.67 3df2 h ALA 83 N 1.42 0.89 0.00 0.00 0.00 -0.40 -3.48 119.26 117.69 3df2 h ALA 83 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3df2 h ALA 83 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3df2 h ALA 83 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3df2 n GLY 84 N 1.19 0.54 3.98 0.00 0.00 0.14 -4.73 105.19 106.31 3df2 n GLY 84 Ca 0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3df2 n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3df2 s ILE 85 N -2.00 3.40 -0.27 -0.61 -4.36 0.03 -4.98 121.20 112.41 3df2 s ILE 85 Ca 0.00 -0.82 -0.04 0.00 -0.26 0.00 0.00 60.65 59.53 3df2 s ILE 85 Cb 0.00 -3.20 -0.15 0.00 1.25 0.00 0.00 42.46 40.36 3df2 s ILE 85 CO 0.00 -0.11 -0.28 0.29 0.24 0.00 0.00 174.94 175.08 3df2 n LYS 86 N -1.96 0.63 -4.69 0.37 5.02 -1.26 -4.31 118.16 111.95 3df2 n LYS 86 Ca 0.05 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 3df2 n LYS 86 Cb 0.59 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 3df2 n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3df2 s SER 87 N -6.92 3.73 0.00 4.39 0.01 -1.26 -5.04 113.70 108.61 3df2 s SER 87 Ca -0.37 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.20 3df2 s SER 87 Cb 0.11 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.93 3df2 s SER 87 CO 0.56 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.90 3df2 n GLY 88 N -1.17 -1.17 0.09 3.44 0.00 -1.26 -5.01 105.19 100.11 3df2 n GLY 88 Ca -0.16 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3df2 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df2 n SER 89 N 0.00 0.45 0.00 1.61 2.88 -1.00 -4.91 113.62 112.65 3df2 n SER 89 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 3df2 n SER 89 Cb 0.00 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3df2 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3df2 n GLY 90 N 1.66 1.62 2.29 0.46 0.00 -1.26 -4.62 105.19 105.35 3df2 n GLY 90 Ca -0.25 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3df2 n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df2 n LYS 91 N 0.00 1.26 -1.28 1.61 2.85 -1.26 -5.12 118.16 116.21 3df2 n LYS 91 Ca 0.00 -3.59 -0.42 0.00 -1.05 0.00 0.00 58.31 53.25 3df2 n LYS 91 Cb 0.00 -1.66 -0.01 0.00 -0.65 0.00 0.00 35.03 32.71 3df2 n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3df2 n PRO 92 N 0.60 0.00 0.00 -1.58 -0.02 -1.26 -1.56 135.00 131.18 3df2 n PRO 92 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3df2 n PRO 92 Cb 0.57 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3df2 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3df2 n ASN 93 N 2.10 0.00 0.22 2.55 5.03 -1.26 -4.56 115.26 119.34 3df2 n ASN 93 Ca 0.13 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 3df2 n ASN 93 Cb 0.32 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.00 3df2 n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3df2 h LYS 94 N 0.00 -0.55 -4.35 3.52 1.57 -1.70 -3.43 116.57 111.63 3df2 h LYS 94 Ca 0.00 0.04 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 3df2 h LYS 94 Cb 0.00 0.13 -0.35 0.00 0.08 0.00 0.00 32.23 32.08 3df2 h LYS 94 CO 0.00 -0.26 -0.81 0.34 -0.57 0.00 0.00 179.45 178.16 3df2 s ASP 95 N -4.85 1.93 -0.14 0.86 2.15 -1.01 -5.12 116.67 110.49 3df2 s ASP 95 Ca -0.15 -0.29 -0.25 0.00 0.43 0.00 0.00 52.55 52.30 3df2 s ASP 95 Cb 0.02 -0.81 -0.02 0.00 -0.30 0.00 0.00 42.92 41.81 3df2 s ASP 95 CO 0.54 -0.05 0.79 -0.54 -0.17 0.00 0.00 175.17 175.74 3df2 s LYS 96 N 1.22 4.34 -0.07 4.34 3.01 -1.26 -4.67 119.74 126.65 3df2 s LYS 96 Ca -0.04 0.97 0.13 0.00 -1.01 0.00 0.00 55.97 56.01 3df2 s LYS 96 Cb -0.14 -3.54 -0.23 0.00 -1.01 0.00 0.00 37.83 32.91 3df2 s LYS 96 CO -0.03 -0.20 0.57 0.28 0.51 0.00 0.00 175.35 176.48 3df2 n VAL 97 N 4.44 1.58 -3.87 3.17 0.31 -1.09 -5.03 118.33 117.85 3df2 n VAL 97 Ca 0.03 -0.80 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 3df2 n VAL 97 Cb 0.50 -0.98 0.01 0.00 -0.91 0.00 0.00 33.84 32.46 3df2 n VAL 97 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3df2 s GLY 98 N -5.17 0.64 0.04 2.92 0.00 -1.25 -4.99 107.32 99.51 3df2 s GLY 98 Ca -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 3df2 s GLY 98 CO 0.82 -0.47 -0.00 -1.59 0.00 0.00 0.00 173.10 171.86 3df2 s LYS 99 N -2.39 0.56 -0.02 2.90 -2.85 -1.26 -2.66 119.74 114.02 3df2 s LYS 99 Ca 0.19 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 3df2 s LYS 99 Cb -0.04 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 3df2 s LYS 99 CO 0.14 -0.11 0.01 0.42 0.10 0.00 0.00 175.35 175.90 3df2 s ILE 100 N -3.28 0.11 0.45 3.79 -1.09 0.78 -4.56 121.20 117.39 3df2 s ILE 100 Ca 0.01 0.11 -0.23 0.00 -2.23 0.00 0.00 60.65 58.31 3df2 s ILE 100 Cb 0.03 -0.20 -0.08 0.00 -1.58 0.00 0.00 42.46 40.63 3df2 s ILE 100 CO -0.08 0.12 1.17 -0.94 -1.23 0.00 0.00 174.94 173.99 3df2 s SER 101 N 0.95 6.23 0.62 3.58 1.04 -1.26 -0.91 113.70 123.95 3df2 s SER 101 Ca -0.09 2.33 0.32 0.00 0.48 0.00 0.00 55.95 58.99 3df2 s SER 101 Cb -0.13 -2.61 1.77 0.00 0.10 0.00 0.00 66.02 65.16 3df2 s SER 101 CO -0.02 -0.88 2.08 -0.09 0.98 0.00 0.00 173.24 175.31 3df2 h ARG 102 N 2.17 0.00 -0.17 4.02 2.43 -1.72 -0.36 114.38 120.75 3df2 h ARG 102 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3df2 h ARG 102 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3df2 h ARG 102 CO 0.61 0.00 0.01 0.00 -1.51 0.00 0.00 179.97 179.07 3df2 h ALA 103 N 1.66 0.22 -0.73 2.80 0.00 -1.90 -2.66 119.26 118.67 3df2 h ALA 103 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3df2 h ALA 103 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3df2 h ALA 103 CO -0.00 -0.08 0.21 1.96 0.00 0.00 0.00 179.25 181.34 3df2 h GLN 104 N 0.05 1.13 -0.78 0.00 4.20 -1.44 -2.07 115.11 116.21 3df2 h GLN 104 Ca 0.05 -0.25 0.12 0.00 0.06 0.00 0.00 58.65 58.63 3df2 h GLN 104 Cb 0.36 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3df2 h GLN 104 CO 0.01 0.97 0.38 -0.07 -0.67 0.00 0.00 178.83 179.45 3df2 h LEU 105 N 1.09 0.47 -0.32 1.46 3.38 -1.35 0.13 115.31 120.17 3df2 h LEU 105 Ca 0.23 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3df2 h LEU 105 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3df2 h LEU 105 CO -0.00 0.23 0.11 -0.61 0.09 0.00 0.00 178.44 178.26 3df2 h GLN 106 N 0.60 0.49 0.08 1.13 4.15 -1.08 -0.57 115.11 119.91 3df2 h GLN 106 Ca 0.41 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.75 3df2 h GLN 106 Cb 0.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3df2 h GLN 106 CO -0.32 0.51 -0.29 0.93 -1.93 0.00 0.00 178.83 177.73 3df2 h GLU 107 N 0.36 -0.47 -0.53 1.69 5.08 -0.37 0.17 114.58 120.52 3df2 h GLU 107 Ca 0.10 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3df2 h GLU 107 Cb 0.22 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3df2 h GLU 107 CO -0.01 -0.31 0.35 0.82 -1.00 0.00 0.00 179.01 178.86 3df2 h ILE 108 N -0.49 1.03 -0.08 3.13 2.04 -0.73 0.91 117.51 123.31 3df2 h ILE 108 Ca 0.04 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3df2 h ILE 108 Cb 0.53 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3df2 h ILE 108 CO -0.19 0.10 -0.36 0.00 0.00 0.00 0.00 178.15 177.70 3df2 h ALA 109 N 1.70 1.24 -0.18 1.87 0.00 0.27 -1.79 119.26 122.37 3df2 h ALA 109 Ca 0.22 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3df2 h ALA 109 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3df2 h ALA 109 CO -0.06 0.53 -0.26 1.96 0.00 0.00 0.00 179.25 181.41 3df2 h GLN 110 N 0.15 0.49 -0.29 0.00 4.20 0.17 -0.28 115.11 119.55 3df2 h GLN 110 Ca 0.02 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3df2 h GLN 110 Cb 0.71 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3df2 h GLN 110 CO 0.05 0.89 0.17 1.15 -0.67 0.00 0.00 178.83 180.42 3df2 h THR 111 N 0.14 1.12 -0.00 -0.54 2.02 -1.05 -2.54 112.91 112.06 3df2 h THR 111 Ca 0.02 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3df2 h THR 111 Cb 0.84 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3df2 h THR 111 CO 0.06 0.12 -0.06 0.29 0.37 0.00 0.00 175.52 176.30 3df2 n LYS 112 N -4.83 0.88 -0.35 6.66 5.02 -0.69 -4.10 118.16 120.74 3df2 n LYS 112 Ca -0.02 -0.27 0.33 0.00 -2.02 0.00 0.00 58.31 56.33 3df2 n LYS 112 Cb 0.07 -1.49 0.68 0.00 -0.02 0.00 0.00 35.03 34.26 3df2 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df2 h ALA 113 N 3.80 2.88 -0.50 7.82 0.00 -0.59 0.22 119.26 132.88 3df2 h ALA 113 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3df2 h ALA 113 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3df2 h ALA 113 CO 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 179.25 178.11 3df2 h ALA 114 N 1.46 0.66 0.00 0.00 0.00 -1.78 -3.06 119.26 116.54 3df2 h ALA 114 Ca 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3df2 h ALA 114 Cb 2.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3df2 h ALA 114 CO -0.13 0.34 -0.76 -0.44 0.00 0.00 0.00 179.25 178.26 3df2 h ASP 115 N 0.68 0.00 -4.06 0.00 3.32 -1.04 -3.47 116.42 111.85 3df2 h ASP 115 Ca 0.16 -0.08 -0.44 0.00 0.02 0.00 0.00 57.03 56.68 3df2 h ASP 115 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3df2 h ASP 115 CO -0.00 0.04 0.35 -0.04 -1.72 0.00 0.00 179.24 177.87 3df2 s MET 116 N -3.27 4.18 0.00 3.56 -1.94 0.48 -4.97 119.30 117.33 3df2 s MET 116 Ca 0.03 1.15 0.24 0.00 -1.71 0.00 0.00 55.69 55.40 3df2 s MET 116 Cb 0.10 -2.17 0.31 0.00 2.01 0.00 0.00 34.83 35.08 3df2 s MET 116 CO 0.75 -0.08 1.30 0.25 -0.01 0.00 0.00 175.02 177.24 3df2 n THR 117 N -0.67 0.00 -1.60 2.05 -2.24 -1.26 -4.90 114.28 105.66 3df2 n THR 117 Ca 0.07 -0.30 -0.50 0.00 -2.27 0.00 0.00 64.05 61.05 3df2 n THR 117 Cb 0.54 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 3df2 n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df2 n GLY 118 N 1.36 0.43 0.18 3.38 0.00 -1.26 -4.88 105.19 104.40 3df2 n GLY 118 Ca 0.12 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 3df2 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 h ALA 119 N 4.36 0.48 -2.00 4.61 0.00 -1.95 -3.46 119.26 121.29 3df2 h ALA 119 Ca -0.46 -0.63 -0.49 0.00 0.00 0.00 0.00 54.91 53.34 3df2 h ALA 119 Cb 1.33 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 3df2 h ALA 119 CO 0.77 0.75 -0.61 -0.51 0.00 0.00 0.00 179.25 179.65 3df2 s ASP 120 N -7.03 2.49 0.29 0.00 1.01 -1.26 -5.05 116.67 107.12 3df2 s ASP 120 Ca -0.07 -1.38 -0.01 0.00 0.71 0.00 0.00 52.55 51.80 3df2 s ASP 120 Cb 0.10 -0.10 0.42 0.00 1.01 0.00 0.00 42.92 44.34 3df2 s ASP 120 CO 0.86 -0.60 1.88 0.40 0.21 0.00 0.00 175.17 177.92 3df2 h ILE 121 N 2.08 1.22 -0.48 0.77 2.04 -2.00 -2.50 117.51 118.64 3df2 h ILE 121 Ca -0.41 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3df2 h ILE 121 Cb 1.24 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3df2 h ILE 121 CO 0.70 0.27 0.28 -0.33 0.00 0.00 0.00 178.15 179.07 3df2 h GLU 122 N 0.90 0.67 0.60 2.37 3.07 -1.99 -2.17 114.58 118.03 3df2 h GLU 122 Ca 0.22 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3df2 h GLU 122 Cb 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 3df2 h GLU 122 CO -0.02 0.50 -0.45 0.00 -1.40 0.00 0.00 179.01 177.65 3df2 h ALA 123 N 1.12 -1.08 -0.89 3.43 0.00 -1.86 -1.57 119.26 118.42 3df2 h ALA 123 Ca 0.17 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.03 3df2 h ALA 123 Cb 0.02 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3df2 h ALA 123 CO -0.03 -1.13 0.57 0.00 0.00 0.00 0.00 179.25 178.66 3df2 h MET 124 N -1.02 0.65 -0.53 0.00 -0.00 -1.44 -0.22 114.93 112.37 3df2 h MET 124 Ca -0.07 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.55 3df2 h MET 124 Cb 0.85 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.28 3df2 h MET 124 CO 0.03 0.43 0.19 1.15 -0.00 0.00 0.00 176.91 178.70 3df2 h THR 125 N 0.67 1.23 -0.94 -0.10 2.02 -1.03 -1.38 112.91 113.38 3df2 h THR 125 Ca 0.45 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3df2 h THR 125 Cb 0.75 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 3df2 h THR 125 CO -0.20 0.27 0.61 0.03 0.37 0.00 0.00 175.52 176.60 3df2 h ARG 126 N 0.72 1.17 -0.51 6.66 3.08 -0.06 -1.45 114.38 123.99 3df2 h ARG 126 Ca 0.17 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3df2 h ARG 126 Cb 0.24 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3df2 h ARG 126 CO -0.01 0.78 0.17 0.77 -1.07 0.00 0.00 179.97 180.61 3df2 h SER 127 N 1.21 0.73 -0.08 7.04 0.02 -0.90 -2.20 113.55 119.37 3df2 h SER 127 Ca 0.36 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3df2 h SER 127 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3df2 h SER 127 CO -0.11 0.73 0.02 0.40 -1.14 0.00 0.00 176.83 176.73 3df2 h ILE 128 N 0.70 1.09 -0.63 3.27 1.08 -0.60 -1.61 117.51 120.81 3df2 h ILE 128 Ca 0.17 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.26 3df2 h ILE 128 Cb 0.25 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3df2 h ILE 128 CO -0.01 0.11 0.18 -0.33 -0.69 0.00 0.00 178.15 177.42 3df2 h GLU 129 N 0.21 0.96 -0.31 2.37 5.08 -0.65 -2.43 114.58 119.81 3df2 h GLU 129 Ca 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3df2 h GLU 129 Cb 0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3df2 h GLU 129 CO -0.00 0.83 0.14 0.78 -1.00 0.00 0.00 179.01 179.77 3df2 h GLY 130 N 1.03 0.45 1.36 -3.84 0.00 -1.05 -1.13 103.07 99.89 3df2 h GLY 130 Ca 0.20 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 3df2 h GLY 130 CO -0.01 0.18 -0.61 -0.91 0.00 0.00 0.00 176.54 175.20 3df2 h THR 131 N 0.42 1.31 -0.16 4.70 1.35 -1.41 -2.98 112.91 116.15 3df2 h THR 131 Ca 0.11 -1.85 -0.02 0.00 -0.55 0.00 0.00 66.41 64.09 3df2 h THR 131 Cb 0.05 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3df2 h THR 131 CO -0.02 0.58 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 3df2 h ALA 132 N 0.82 0.21 -0.18 6.62 0.00 -1.07 -2.63 119.26 123.04 3df2 h ALA 132 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3df2 h ALA 132 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3df2 h ALA 132 CO 0.12 -0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.43 3df2 h ARG 133 N 0.03 0.00 0.00 0.00 3.08 -1.26 -0.56 114.38 115.68 3df2 h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3df2 h ARG 133 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3df2 h ARG 133 CO 0.01 0.00 -0.38 0.77 -1.07 0.00 0.00 179.97 179.30 3df2 h SER 134 N 0.00 0.00 -0.30 7.04 0.02 -1.34 -3.31 113.55 115.66 3df2 h SER 134 Ca 0.09 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3df2 h SER 134 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3df2 h SER 134 CO -0.00 0.05 0.00 1.15 -1.14 0.00 0.00 176.83 176.89 3df2 n MET 135 N -2.31 2.88 -2.34 3.45 0.00 -0.36 -4.74 117.12 113.70 3df2 n MET 135 Ca 0.04 -2.18 -0.10 0.00 0.00 0.00 0.00 57.70 55.47 3df2 n MET 135 Cb 0.45 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.31 3df2 n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3df2 n GLY 136 N 0.23 0.05 3.14 3.17 0.00 -0.79 -2.38 105.19 108.60 3df2 n GLY 136 Ca 0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 3df2 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df2 s LEU 137 N -2.90 4.15 0.55 0.99 1.43 -0.36 -2.66 118.68 119.88 3df2 s LEU 137 Ca 0.05 -1.49 -0.16 0.00 -1.03 0.00 0.00 54.13 51.51 3df2 s LEU 137 Cb -0.02 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3df2 s LEU 137 CO 0.06 -0.31 1.01 -0.69 0.23 0.00 0.00 176.35 176.66 3df2 s VAL 138 N 1.19 4.32 -0.09 -1.59 1.01 -1.09 -4.12 120.40 120.03 3df2 s VAL 138 Ca -0.02 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.06 3df2 s VAL 138 Cb -0.20 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3df2 s VAL 138 CO -0.03 -0.67 -0.16 0.68 0.00 0.00 0.00 175.10 174.93 3df2 s VAL 139 N -2.62 2.86 -0.37 2.92 -7.23 -1.26 -0.16 120.40 114.56 3df2 s VAL 139 Ca 0.60 -0.76 -0.13 0.00 -1.81 0.00 0.00 61.98 59.88 3df2 s VAL 139 Cb -0.12 -2.15 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 3df2 s VAL 139 CO 0.35 0.55 0.26 -0.70 -0.31 0.00 0.00 175.10 175.25 3df2 s GLU 140 N -0.05 3.27 0.00 4.82 2.56 -0.09 -4.90 118.70 124.31 3df2 s GLU 140 Ca -0.04 -0.80 0.28 0.00 0.00 0.00 0.00 54.97 54.41 3df2 s GLU 140 Cb -0.14 -3.86 1.05 0.00 2.00 0.00 0.00 34.13 33.18 3df2 s GLU 140 CO 0.04 -0.56 1.74 -0.25 -0.56 0.00 0.00 175.26 175.67