#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkd s GLN 2 N 0.00 1.11 -0.05 1.96 -0.21 -0.85 -4.94 119.66 116.68 3dkd s GLN 2 Ca 0.00 -0.97 0.06 0.00 0.02 0.00 0.00 55.36 54.47 3dkd s GLN 2 Cb 0.00 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 3dkd s GLN 2 CO 0.00 0.30 -0.24 1.03 -2.12 0.00 0.00 175.29 174.26 3dkd s ARG 3 N -1.48 2.39 0.13 2.91 0.52 -1.26 -1.77 118.95 120.39 3dkd s ARG 3 Ca 0.04 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 3dkd s ARG 3 Cb -0.09 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 3dkd s ARG 3 CO 0.02 0.36 -0.12 -0.08 0.02 0.00 0.00 175.30 175.50 3dkd s THR 4 N -0.15 1.25 -0.22 0.02 -1.32 -0.61 -4.80 115.64 109.81 3dkd s THR 4 Ca -0.03 -1.80 -0.06 0.00 -1.21 0.00 0.00 61.69 58.59 3dkd s THR 4 Cb -0.13 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.24 3dkd s THR 4 CO 0.03 -0.52 0.04 -0.22 -2.21 0.00 0.00 174.62 171.74 3dkd s LEU 5 N -2.64 3.41 -0.07 9.08 1.98 -1.26 -1.64 118.68 127.55 3dkd s LEU 5 Ca 0.11 -0.17 0.02 0.00 -2.89 0.00 0.00 54.13 51.19 3dkd s LEU 5 Cb -0.03 -1.89 -0.03 0.00 0.66 0.00 0.00 46.19 44.90 3dkd s LEU 5 CO 0.02 0.03 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.71 3dkd s VAL 6 N 1.24 3.37 -0.15 1.68 1.01 0.38 -1.68 120.40 126.24 3dkd s VAL 6 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3dkd s VAL 6 Cb -0.15 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3dkd s VAL 6 CO 0.03 0.59 -0.15 -0.76 0.00 0.00 0.00 175.10 174.80 3dkd s LEU 7 N -0.67 2.48 -0.27 3.92 1.43 -0.03 -0.71 118.68 124.82 3dkd s LEU 7 Ca 0.10 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 3dkd s LEU 7 Cb -0.11 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3dkd s LEU 7 CO 0.01 0.09 0.83 -0.63 0.23 0.00 0.00 176.35 176.89 3dkd s ILE 8 N 0.78 4.80 0.54 -0.59 -1.09 0.10 -1.11 121.20 124.63 3dkd s ILE 8 Ca -0.06 1.46 -0.06 0.00 -2.23 0.00 0.00 60.65 59.76 3dkd s ILE 8 Cb -0.15 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 3dkd s ILE 8 CO 0.00 -0.16 0.86 -0.54 -1.23 0.00 0.00 174.94 173.87 3dkd s LYS 9 N 2.94 3.21 0.52 2.79 1.02 -0.32 -2.38 119.74 127.52 3dkd s LYS 9 Ca 0.35 0.11 0.24 0.00 0.02 0.00 0.00 55.97 56.68 3dkd s LYS 9 Cb -0.15 -2.31 1.35 0.00 -0.52 0.00 0.00 37.83 36.20 3dkd s LYS 9 CO 0.10 -0.48 1.99 -1.35 -0.92 0.00 0.00 175.35 174.68 3dkd h PRO 10 N -0.01 0.05 -0.03 -1.68 0.11 -1.82 -1.16 132.00 127.47 3dkd h PRO 10 Ca -0.46 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3dkd h PRO 10 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3dkd h PRO 10 CO 0.61 0.04 -0.18 0.38 -0.21 0.00 0.00 178.00 178.64 3dkd h ASP 11 N 0.06 0.05 -0.53 -2.05 2.03 -1.91 -1.96 116.42 112.11 3dkd h ASP 11 Ca 0.26 -0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.49 3dkd h ASP 11 Cb 0.96 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 3dkd h ASP 11 CO -0.02 0.23 0.10 0.00 -1.03 0.00 0.00 179.24 178.53 3dkd h ALA 12 N 1.77 1.10 -0.25 4.15 0.00 -1.48 -0.91 119.26 123.64 3dkd h ALA 12 Ca 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3dkd h ALA 12 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dkd h ALA 12 CO 0.02 0.59 -0.14 0.74 0.00 0.00 0.00 179.25 180.46 3dkd h PHE 13 N 0.87 0.63 -0.55 0.00 -1.00 -1.47 0.40 116.94 115.82 3dkd h PHE 13 Ca 0.18 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3dkd h PHE 13 Cb 0.37 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 3dkd h PHE 13 CO 0.02 0.81 0.19 1.49 -1.61 0.00 0.00 178.31 179.22 3dkd h GLU 14 N 0.27 0.80 -0.36 1.51 4.57 -1.07 -2.69 114.58 117.61 3dkd h GLU 14 Ca 0.05 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3dkd h GLU 14 Cb 0.66 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3dkd h GLU 14 CO 0.04 0.68 0.00 0.54 -1.18 0.00 0.00 179.01 179.09 3dkd n ARG 15 N -4.32 2.46 -3.55 1.92 1.74 -0.37 -4.96 116.66 109.57 3dkd n ARG 15 Ca 0.04 -2.20 -0.21 0.00 -0.77 0.00 0.00 57.85 54.72 3dkd n ARG 15 Cb 0.18 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.19 3dkd n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3dkd n SER 16 N 1.42 -3.27 -0.46 0.55 7.64 -0.63 -4.93 113.62 113.93 3dkd n SER 16 Ca 0.19 -0.64 0.04 0.00 1.01 0.00 0.00 58.87 59.47 3dkd n SER 16 Cb 0.59 -4.84 0.12 0.00 -1.01 0.00 0.00 64.21 59.07 3dkd n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3dkd n LEU 17 N -4.43 2.74 0.26 -3.43 4.77 0.13 -4.75 117.00 112.29 3dkd n LEU 17 Ca -0.19 -2.14 -0.16 0.00 -0.03 0.00 0.00 56.01 53.49 3dkd n LEU 17 Cb 0.63 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3dkd n LEU 17 CO 0.64 0.66 0.67 0.58 -1.33 0.00 0.00 177.39 178.61 3dkd h VAL 18 N 1.36 0.38 -0.81 4.08 2.07 -1.92 -1.47 116.25 119.94 3dkd h VAL 18 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3dkd h VAL 18 Cb 0.75 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3dkd h VAL 18 CO 0.02 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.15 3dkd h ALA 19 N -0.23 1.04 -0.56 1.67 0.00 -1.93 -1.09 119.26 118.15 3dkd h ALA 19 Ca -0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3dkd h ALA 19 Cb 0.60 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3dkd h ALA 19 CO 0.03 0.42 0.25 1.49 0.00 0.00 0.00 179.25 181.44 3dkd h GLU 20 N 1.08 0.45 0.18 0.00 4.57 -1.81 0.49 114.58 119.54 3dkd h GLU 20 Ca 0.30 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3dkd h GLU 20 Cb -0.10 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3dkd h GLU 20 CO -0.08 0.30 -0.08 0.82 -1.18 0.00 0.00 179.01 178.79 3dkd h ILE 21 N 0.47 0.90 -0.66 2.32 2.04 -0.81 -2.64 117.51 119.11 3dkd h ILE 21 Ca 0.27 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.21 3dkd h ILE 21 Cb 0.25 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3dkd h ILE 21 CO -0.23 0.20 0.44 0.24 0.00 0.00 0.00 178.15 178.80 3dkd h MET 22 N -0.77 0.63 -0.64 2.37 2.86 -1.09 -2.18 114.93 116.12 3dkd h MET 22 Ca -0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3dkd h MET 22 Cb 0.52 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3dkd h MET 22 CO 0.04 0.42 0.23 0.78 1.06 0.00 0.00 176.91 179.43 3dkd h GLY 23 N 0.65 1.02 1.13 8.32 0.00 0.04 0.01 103.07 114.24 3dkd h GLY 23 Ca 0.29 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3dkd h GLY 23 CO -0.09 0.52 0.17 3.21 0.00 0.00 0.00 176.54 180.35 3dkd h ARG 24 N 0.93 1.08 -0.21 4.80 3.08 -1.02 -0.34 114.38 122.70 3dkd h ARG 24 Ca 0.21 -0.25 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 3dkd h ARG 24 Cb 0.22 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3dkd h ARG 24 CO -0.01 0.95 -0.63 0.82 -1.07 0.00 0.00 179.97 180.02 3dkd h ILE 25 N 1.02 1.28 -0.66 2.04 2.04 -1.37 -3.15 117.51 118.71 3dkd h ILE 25 Ca 0.22 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3dkd h ILE 25 Cb 0.36 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3dkd h ILE 25 CO 0.00 0.59 0.36 -0.08 0.00 0.00 0.00 178.15 179.02 3dkd h GLU 26 N 0.56 0.92 0.00 2.37 4.81 -0.79 -2.44 114.58 120.00 3dkd h GLU 26 Ca -0.02 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3dkd h GLU 26 Cb 1.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3dkd h GLU 26 CO 0.14 0.69 0.00 1.63 -0.73 0.00 0.00 179.01 180.74 3dkd n LYS 27 N -4.53 0.19 0.00 1.92 5.02 -0.15 -1.04 118.16 119.57 3dkd n LYS 27 Ca 0.05 0.44 0.14 0.00 -2.02 0.00 0.00 58.31 56.92 3dkd n LYS 27 Cb 0.09 -1.88 0.58 0.00 -0.02 0.00 0.00 35.03 33.80 3dkd n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dkd n LYS 28 N -2.25 1.19 -1.98 1.97 3.00 -0.92 -4.94 118.16 114.23 3dkd n LYS 28 Ca 0.02 -0.56 -0.04 0.00 -0.00 0.00 0.00 58.31 57.73 3dkd n LYS 28 Cb 0.22 -1.49 -0.00 0.00 0.00 0.00 0.00 35.03 33.76 3dkd n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3dkd n ASN 29 N -0.41 -1.98 -4.81 3.14 5.15 -0.21 -5.05 115.26 111.09 3dkd n ASN 29 Ca 0.18 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.79 3dkd n ASN 29 Cb 0.30 -1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 38.23 3dkd n ASN 29 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3dkd s PHE 30 N -2.17 3.70 -0.16 1.20 0.40 -1.21 -4.98 117.98 114.76 3dkd s PHE 30 Ca 0.00 1.38 -0.07 0.00 -0.60 0.00 0.00 56.93 57.64 3dkd s PHE 30 Cb 0.00 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 3dkd s PHE 30 CO 0.00 0.40 0.07 0.21 0.70 0.00 0.00 175.22 176.60 3dkd s LYS 31 N -1.75 3.78 0.01 0.44 2.20 -0.92 -4.67 119.74 118.82 3dkd s LYS 31 Ca 0.40 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 3dkd s LYS 31 Cb -0.18 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3dkd s LYS 31 CO 0.21 0.41 1.28 0.42 -0.36 0.00 0.00 175.35 177.32 3dkd s ILE 32 N -0.01 3.94 -0.19 5.43 1.01 -1.26 -0.85 121.20 129.27 3dkd s ILE 32 Ca 0.07 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.12 3dkd s ILE 32 Cb -0.12 -3.86 -0.16 0.00 0.01 0.00 0.00 42.46 38.33 3dkd s ILE 32 CO 0.01 0.03 -0.08 0.52 0.00 0.00 0.00 174.94 175.42 3dkd n VAL 33 N 4.40 1.14 -3.79 2.92 0.31 0.10 -4.95 118.33 118.46 3dkd n VAL 33 Ca 0.11 -0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 3dkd n VAL 33 Cb 0.45 -0.94 -0.09 0.00 -0.91 0.00 0.00 33.84 32.35 3dkd n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dkd s SER 34 N -5.55 -0.10 -0.20 4.52 0.01 -1.20 -4.99 113.70 106.19 3dkd s SER 34 Ca -0.19 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 3dkd s SER 34 Cb 0.06 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.64 3dkd s SER 34 CO 0.55 -0.48 0.52 -0.32 0.41 0.00 0.00 173.24 173.92 3dkd s MET 35 N -1.72 0.59 -0.02 12.44 0.00 -1.26 -0.99 119.30 128.34 3dkd s MET 35 Ca -0.11 0.74 0.01 0.00 0.00 0.00 0.00 55.69 56.33 3dkd s MET 35 Cb -0.04 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.07 3dkd s MET 35 CO 0.01 -0.08 -0.02 0.15 0.00 0.00 0.00 175.02 175.08 3dkd s LYS 36 N 0.39 0.39 -0.12 4.11 1.02 0.24 -4.99 119.74 120.78 3dkd s LYS 36 Ca -0.01 -0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.79 3dkd s LYS 36 Cb -0.04 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 3dkd s LYS 36 CO -0.01 -0.05 0.44 0.12 -0.92 0.00 0.00 175.35 174.93 3dkd s PHE 37 N 0.64 3.51 -0.21 3.18 5.36 -1.26 -0.80 117.98 128.39 3dkd s PHE 37 Ca -0.07 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.73 3dkd s PHE 37 Cb -0.10 -2.50 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 3dkd s PHE 37 CO -0.01 0.21 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.27 3dkd s TRP 38 N 0.51 2.91 0.09 10.12 0.52 0.66 -5.00 118.94 128.74 3dkd s TRP 38 Ca 0.24 -1.35 -0.18 0.00 0.02 0.00 0.00 56.10 54.82 3dkd s TRP 38 Cb -0.15 -2.02 -0.08 0.00 -1.15 0.00 0.00 33.47 30.07 3dkd s TRP 38 CO 0.09 -0.69 1.53 0.66 0.02 0.00 0.00 176.95 178.56 3dkd h SER 39 N 8.02 0.44 -3.02 2.95 4.64 -1.92 -1.50 113.55 123.16 3dkd h SER 39 Ca -0.41 -0.30 -0.26 0.00 -0.47 0.00 0.00 61.79 60.34 3dkd h SER 39 Cb 1.14 -0.12 -0.34 0.00 -0.31 0.00 0.00 62.40 62.77 3dkd h SER 39 CO 0.61 0.63 -0.59 -0.54 -0.87 0.00 0.00 176.83 176.07 3dkd s LYS 40 N -5.01 0.08 0.41 4.77 -0.14 -1.26 -3.01 119.74 115.57 3dkd s LYS 40 Ca -0.14 0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 54.84 3dkd s LYS 40 Cb 0.08 -0.18 -0.09 0.00 -1.68 0.00 0.00 37.83 35.96 3dkd s LYS 40 CO 0.75 -0.29 1.27 0.00 -0.76 0.00 0.00 175.35 176.32 3dkd s ALA 41 N 2.29 3.23 0.28 5.17 0.00 -1.26 -4.97 121.76 126.50 3dkd s ALA 41 Ca 0.02 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 3dkd s ALA 41 Cb -0.12 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 3dkd s ALA 41 CO -0.07 -0.77 1.46 -2.14 0.00 0.00 0.00 175.76 174.24 3dkd s PRO 42 N -2.26 4.23 0.28 0.00 0.02 -1.26 -4.79 135.00 131.22 3dkd s PRO 42 Ca 0.57 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.98 3dkd s PRO 42 Cb -0.37 -3.07 0.56 0.00 0.02 0.00 0.00 34.50 31.64 3dkd s PRO 42 CO 0.47 -0.45 1.81 -0.09 -0.33 0.00 0.00 177.00 178.40 3dkd h ARG 43 N 4.59 0.83 -0.95 5.54 2.43 -1.96 -1.20 114.38 123.67 3dkd h ARG 43 Ca -0.47 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3dkd h ARG 43 Cb 1.22 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.53 3dkd h ARG 43 CO 0.75 0.55 0.62 -0.97 -1.51 0.00 0.00 179.97 179.41 3dkd h ASN 44 N 0.86 1.03 0.15 -3.80 -0.73 -1.98 0.20 115.58 111.30 3dkd h ASN 44 Ca 0.49 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.65 3dkd h ASN 44 Cb 0.57 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.93 3dkd h ASN 44 CO -0.30 0.70 -0.08 0.25 -0.37 0.00 0.00 177.43 177.62 3dkd h LEU 45 N 1.19 -0.20 -0.44 0.34 5.85 -1.61 -0.28 115.31 120.16 3dkd h LEU 45 Ca 0.38 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.18 3dkd h LEU 45 Cb 0.02 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 3dkd h LEU 45 CO -0.13 -0.14 0.08 0.40 -0.34 0.00 0.00 178.44 178.32 3dkd h ILE 46 N -0.22 0.76 -0.70 4.05 1.08 -0.91 0.60 117.51 122.17 3dkd h ILE 46 Ca -0.02 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3dkd h ILE 46 Cb 0.18 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3dkd h ILE 46 CO 0.02 0.04 0.39 -0.33 -0.69 0.00 0.00 178.15 177.59 3dkd h GLU 47 N 0.21 0.95 -0.23 2.37 5.08 -0.36 -0.31 114.58 122.29 3dkd h GLU 47 Ca 0.21 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3dkd h GLU 47 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3dkd h GLU 47 CO -0.29 0.69 -0.07 1.96 -1.00 0.00 0.00 179.01 180.30 3dkd h GLN 48 N 0.96 0.46 -0.74 2.33 1.08 -0.57 -1.20 115.11 117.44 3dkd h GLN 48 Ca 0.25 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.36 3dkd h GLN 48 Cb 0.00 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.34 3dkd h GLN 48 CO -0.04 0.71 0.39 1.25 -0.95 0.00 0.00 178.83 180.18 3dkd h HIS 49 N 0.19 0.70 -0.71 2.96 2.76 -0.18 -2.41 115.15 118.46 3dkd h HIS 49 Ca 0.06 0.03 -0.38 0.00 -2.20 0.00 0.00 60.37 57.88 3dkd h HIS 49 Cb 0.55 -0.20 -0.22 0.00 1.55 0.00 0.00 27.41 29.08 3dkd h HIS 49 CO 0.06 0.26 0.32 0.66 -1.30 0.00 0.00 177.93 177.92 3dkd n TYR 50 N -4.83 2.21 -0.36 5.26 0.53 -0.19 -4.75 117.16 115.03 3dkd n TYR 50 Ca 0.12 -1.79 0.11 0.00 -1.02 0.00 0.00 57.90 55.31 3dkd n TYR 50 Cb 0.28 -0.76 0.29 0.00 -1.03 0.00 0.00 39.34 38.12 3dkd n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3dkd h LYS 51 N 1.04 0.84 0.00 -0.72 2.10 -0.68 0.19 116.57 119.34 3dkd h LYS 51 Ca 0.45 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3dkd h LYS 51 Cb 2.27 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 3dkd h LYS 51 CO 0.80 0.55 0.00 0.39 -2.00 0.00 0.00 179.45 179.20 3dkd n GLU 52 N -4.70 0.01 -0.20 0.07 -0.58 -1.26 -1.86 120.64 112.12 3dkd n GLU 52 Ca 0.21 0.41 0.06 0.00 -0.42 0.00 0.00 57.16 57.43 3dkd n GLU 52 Cb 0.48 -1.53 0.17 0.00 -0.57 0.00 0.00 31.44 29.99 3dkd n GLU 52 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dkd n HIS 53 N -1.56 0.53 0.25 -0.32 8.25 0.05 -4.69 115.22 117.73 3dkd n HIS 53 Ca 0.01 -0.49 0.08 0.00 -0.26 0.00 0.00 57.72 57.06 3dkd n HIS 53 Cb 0.07 -0.02 0.62 0.00 1.12 0.00 0.00 29.99 31.78 3dkd n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3dkd h SER 54 N 2.34 0.00 -0.24 0.41 4.64 -1.42 -2.09 113.55 117.19 3dkd h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dkd h SER 54 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3dkd h SER 54 CO 0.00 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 3dkd n GLU 55 N -4.17 2.02 -3.05 4.77 -0.58 -1.26 -4.86 120.64 113.51 3dkd n GLU 55 Ca -0.02 -1.54 -0.33 0.00 -0.42 0.00 0.00 57.16 54.85 3dkd n GLU 55 Cb 0.20 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 3dkd n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3dkd s GLN 56 N -1.70 4.07 0.50 3.49 -1.52 -0.79 -4.98 119.66 118.73 3dkd s GLN 56 Ca 0.34 0.80 0.25 0.00 -1.95 0.00 0.00 55.36 54.81 3dkd s GLN 56 Cb 0.19 -2.37 1.33 0.00 -0.22 0.00 0.00 33.01 31.93 3dkd s GLN 56 CO 0.28 0.11 2.03 0.66 -0.25 0.00 0.00 175.29 178.12 3dkd h SER 57 N 2.19 0.00 0.25 5.90 4.64 -1.91 -2.54 113.55 122.08 3dkd h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dkd h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3dkd h SER 57 CO 0.64 0.15 -0.18 0.00 -0.87 0.00 0.00 176.83 176.57 3dkd n TYR 58 N -3.68 0.00 -0.18 4.77 0.18 -1.26 -4.52 117.16 112.47 3dkd n TYR 58 Ca -0.02 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.74 3dkd n TYR 58 Cb 0.27 -0.13 0.05 0.00 -0.38 0.00 0.00 39.34 39.15 3dkd n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3dkd h PHE 59 N 1.11 -0.22 -0.24 -3.48 3.04 -1.67 0.17 116.94 115.65 3dkd h PHE 59 Ca 0.00 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 3dkd h PHE 59 Cb 0.45 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 3dkd h PHE 59 CO 0.00 -0.21 -0.05 -0.97 -2.02 0.00 0.00 178.31 175.06 3dkd h ASN 60 N 0.03 0.46 -0.70 0.41 -0.73 -1.83 -1.05 115.58 112.17 3dkd h ASN 60 Ca 0.27 -0.36 0.06 0.00 1.87 0.00 0.00 56.30 58.13 3dkd h ASN 60 Cb 0.41 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 3dkd h ASN 60 CO -0.53 0.71 0.40 0.44 -0.37 0.00 0.00 177.43 178.08 3dkd h ASP 61 N 0.20 0.61 -0.30 1.15 3.32 -1.74 0.22 116.42 119.88 3dkd h ASP 61 Ca 0.06 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3dkd h ASP 61 Cb 0.50 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3dkd h ASP 61 CO 0.02 0.40 0.16 0.25 -1.72 0.00 0.00 179.24 178.35 3dkd h LEU 62 N 0.75 0.24 -0.41 1.55 5.85 -0.45 0.86 115.31 123.70 3dkd h LEU 62 Ca 0.31 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3dkd h LEU 62 Cb 0.17 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3dkd h LEU 62 CO -0.17 0.18 0.12 0.00 -0.34 0.00 0.00 178.44 178.22 3dkd h ASP 64 N 0.52 -0.07 -0.36 0.00 3.32 -0.78 -2.16 116.42 116.90 3dkd h ASP 64 Ca 0.13 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3dkd h ASP 64 Cb 0.28 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3dkd h ASP 64 CO -0.00 -0.01 0.22 0.15 -1.72 0.00 0.00 179.24 177.89 3dkd h PHE 65 N 0.19 0.42 0.00 4.55 3.04 -0.42 -2.65 116.94 122.06 3dkd h PHE 65 Ca 0.24 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 3dkd h PHE 65 Cb 0.34 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 3dkd h PHE 65 CO -0.25 0.26 -0.02 0.52 -2.02 0.00 0.00 178.31 176.80 3dkd h MET 66 N 0.45 0.00 -0.34 1.11 2.86 -0.70 -1.25 114.93 117.07 3dkd h MET 66 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3dkd h MET 66 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3dkd h MET 66 CO -0.05 0.02 0.00 1.33 1.06 0.00 0.00 176.91 179.27 3dkd n VAL 67 N -3.12 0.43 0.94 -2.22 0.24 -0.85 -4.56 118.33 109.19 3dkd n VAL 67 Ca 0.00 -0.69 0.14 0.00 -2.04 0.00 0.00 64.34 61.74 3dkd n VAL 67 Cb 0.30 0.99 0.59 0.00 -1.47 0.00 0.00 33.84 34.24 3dkd n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dkd n SER 68 N 1.40 0.10 -1.46 -1.34 3.41 -0.47 -4.80 113.62 110.46 3dkd n SER 68 Ca 0.19 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3dkd n SER 68 Cb 0.59 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3dkd n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dkd n GLY 69 N 1.43 1.35 3.78 5.00 0.00 -1.26 -5.09 105.19 110.39 3dkd n GLY 69 Ca 0.07 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3dkd n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dkd s PRO 70 N -2.01 2.68 0.02 1.61 0.02 -1.16 -4.60 135.00 131.55 3dkd s PRO 70 Ca 0.04 1.26 0.05 0.00 0.02 0.00 0.00 61.00 62.37 3dkd s PRO 70 Cb -0.01 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3dkd s PRO 70 CO 0.02 -1.33 -0.15 0.42 -0.33 0.00 0.00 177.00 175.63 3dkd s ILE 71 N -2.60 1.17 -0.16 2.83 1.01 -0.56 -2.97 121.20 119.91 3dkd s ILE 71 Ca 0.64 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dkd s ILE 71 Cb -0.18 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3dkd s ILE 71 CO 0.47 0.13 -0.02 -0.63 0.00 0.00 0.00 174.94 174.88 3dkd s ILE 72 N -0.68 4.01 -0.16 2.92 1.01 -1.00 -0.25 121.20 127.05 3dkd s ILE 72 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 3dkd s ILE 72 Cb -0.07 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3dkd s ILE 72 CO 0.01 0.48 -0.02 -0.94 0.00 0.00 0.00 174.94 174.47 3dkd s SER 73 N 0.41 4.96 -0.02 3.58 1.04 0.02 -0.72 113.70 122.96 3dkd s SER 73 Ca -0.03 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.34 3dkd s SER 73 Cb -0.14 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.18 3dkd s SER 73 CO 0.03 0.18 -0.09 -0.63 0.98 0.00 0.00 173.24 173.70 3dkd s ILE 74 N 0.32 0.77 -0.31 -1.02 1.01 0.11 -0.59 121.20 121.49 3dkd s ILE 74 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 3dkd s ILE 74 Cb -0.14 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3dkd s ILE 74 CO 0.02 0.24 0.19 -0.69 0.00 0.00 0.00 174.94 174.70 3dkd s VAL 75 N 0.18 5.06 0.03 2.92 1.01 -0.16 -0.47 120.40 128.97 3dkd s VAL 75 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3dkd s VAL 75 Cb -0.08 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3dkd s VAL 75 CO 0.00 0.12 0.13 -0.31 0.00 0.00 0.00 175.10 175.05 3dkd s TYR 76 N 1.70 3.36 -0.01 5.22 1.51 -0.65 -0.72 117.35 127.76 3dkd s TYR 76 Ca 0.06 0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.38 3dkd s TYR 76 Cb -0.17 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 3dkd s TYR 76 CO 0.09 0.57 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.94 3dkd s GLU 77 N -2.13 1.32 0.00 -0.62 2.12 -0.03 -1.57 118.70 117.79 3dkd s GLU 77 Ca 0.28 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.01 3dkd s GLU 77 Cb -0.12 -1.29 0.00 0.00 0.26 0.00 0.00 34.13 32.98 3dkd s GLU 77 CO 0.20 0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 3dkd n GLY 78 N 2.62 1.42 3.69 -1.50 0.00 -0.73 -2.17 105.19 108.52 3dkd n GLY 78 Ca -0.15 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3dkd n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dkd n THR 79 N -0.43 0.32 -2.93 2.61 -1.04 -1.26 -2.02 114.28 109.53 3dkd n THR 79 Ca 0.00 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.76 3dkd n THR 79 Cb 0.00 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 3dkd n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3dkd n ASP 80 N 5.40 -4.33 -0.17 8.00 10.43 -1.26 -4.86 116.55 129.76 3dkd n ASP 80 Ca 0.18 -0.14 0.12 0.00 2.57 0.00 0.00 54.79 57.51 3dkd n ASP 80 Cb 0.36 -3.59 0.44 0.00 1.84 0.00 0.00 41.12 40.17 3dkd n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dkd h ALA 81 N 0.99 1.94 0.83 2.24 0.00 -1.68 -2.26 119.26 121.32 3dkd h ALA 81 Ca -0.40 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3dkd h ALA 81 Cb 1.28 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dkd h ALA 81 CO 0.47 -0.11 -0.40 0.82 0.00 0.00 0.00 179.25 180.03 3dkd h ILE 82 N 0.55 0.11 -0.52 0.00 2.04 -1.88 -1.80 117.51 116.01 3dkd h ILE 82 Ca 0.35 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 66.05 3dkd h ILE 82 Cb 0.62 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3dkd h ILE 82 CO -0.12 0.01 0.06 0.77 0.00 0.00 0.00 178.15 178.86 3dkd h SER 83 N -1.21 0.79 -0.45 1.72 4.64 -1.85 -2.55 113.55 114.65 3dkd h SER 83 Ca -0.11 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3dkd h SER 83 Cb 0.86 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3dkd h SER 83 CO 0.19 0.82 0.12 0.11 -0.87 0.00 0.00 176.83 177.20 3dkd h LYS 84 N 0.79 0.71 -0.04 4.77 1.57 -1.38 -1.76 116.57 121.23 3dkd h LYS 84 Ca 0.16 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3dkd h LYS 84 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3dkd h LYS 84 CO 0.01 0.70 -0.60 0.82 -0.57 0.00 0.00 179.45 179.82 3dkd h ILE 85 N 0.59 1.40 -0.76 1.86 2.04 -1.30 -1.85 117.51 119.50 3dkd h ILE 85 Ca 0.14 -1.99 0.01 0.00 1.00 0.00 0.00 64.86 64.02 3dkd h ILE 85 Cb 0.30 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3dkd h ILE 85 CO -0.00 0.58 0.50 0.03 0.00 0.00 0.00 178.15 179.26 3dkd h ARG 86 N 0.11 1.01 -0.25 2.37 2.47 -1.24 0.15 114.38 119.00 3dkd h ARG 86 Ca -0.01 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.52 3dkd h ARG 86 Cb 1.08 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 3dkd h ARG 86 CO 0.09 0.67 -0.38 0.00 0.56 0.00 0.00 179.97 180.91 3dkd h ARG 87 N 1.03 0.56 -0.36 0.04 3.08 -0.99 -2.37 114.38 115.38 3dkd h ARG 87 Ca 0.28 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3dkd h ARG 87 Cb -0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3dkd h ARG 87 CO -0.06 0.85 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.35 3dkd h LEU 88 N 0.47 0.76 0.06 3.04 3.38 -1.00 -3.23 115.31 118.79 3dkd h LEU 88 Ca 0.04 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3dkd h LEU 88 Cb 0.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3dkd h LEU 88 CO 0.07 0.99 -0.10 -0.61 0.09 0.00 0.00 178.44 178.89 3dkd h GLN 89 N 0.64 -0.19 0.00 1.13 4.15 -0.47 0.21 115.11 120.57 3dkd h GLN 89 Ca 0.08 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3dkd h GLN 89 Cb 0.79 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.52 3dkd h GLN 89 CO 0.06 -0.13 0.00 0.41 -1.93 0.00 0.00 178.83 177.25 3dkd n GLY 90 N -1.22 0.44 3.74 2.39 0.00 -0.91 -1.01 105.19 108.63 3dkd n GLY 90 Ca -0.07 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 3dkd n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dkd s ASN 91 N -1.49 4.84 0.30 1.61 3.84 -1.26 -4.87 114.94 117.91 3dkd s ASN 91 Ca 0.00 2.69 -0.01 0.00 0.21 0.00 0.00 52.86 55.75 3dkd s ASN 91 Cb 0.00 -2.63 0.47 0.00 -0.55 0.00 0.00 41.25 38.55 3dkd s ASN 91 CO 0.00 -1.85 1.91 0.74 -2.79 0.00 0.00 177.10 175.11 3dkd h THR 92 N 0.88 1.20 -3.40 -5.21 2.02 -1.95 -3.40 112.91 103.05 3dkd h THR 92 Ca -0.51 -0.56 -0.59 0.00 0.77 0.00 0.00 66.41 65.52 3dkd h THR 92 Cb 1.32 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 3dkd h THR 92 CO 0.55 0.24 0.16 0.21 0.37 0.00 0.00 175.52 177.04 3dkd s ASN 93 N -6.47 6.72 0.07 4.18 3.84 -1.26 -4.44 114.94 117.58 3dkd s ASN 93 Ca -0.10 0.88 0.09 0.00 0.21 0.00 0.00 52.86 53.94 3dkd s ASN 93 Cb 0.17 -2.36 0.44 0.00 -0.55 0.00 0.00 41.25 38.94 3dkd s ASN 93 CO 0.79 -0.29 1.29 -2.65 -2.79 0.00 0.00 177.10 173.45 3dkd n PRO 94 N 5.08 0.04 0.13 0.43 -0.02 -1.26 -0.52 135.00 138.88 3dkd n PRO 94 Ca -0.01 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 3dkd n PRO 94 Cb 0.50 -1.61 0.33 0.00 -0.02 0.00 0.00 33.50 32.70 3dkd n PRO 94 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dkd h LEU 95 N 0.00 0.00 0.00 2.45 3.38 -1.95 -3.38 115.31 115.81 3dkd h LEU 95 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dkd h LEU 95 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dkd h LEU 95 CO 0.00 0.00 -1.10 0.00 0.09 0.00 0.00 178.44 177.43 3dkd n ALA 96 N -1.88 1.98 -1.72 1.53 0.00 0.32 -5.04 120.51 115.71 3dkd n ALA 96 Ca 0.05 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 3dkd n ALA 96 Cb 0.46 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 3dkd n ALA 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dkd n SER 97 N -1.99 3.84 -4.76 0.00 3.41 -0.51 -4.80 113.62 108.81 3dkd n SER 97 Ca -0.02 1.09 -0.39 0.00 -0.26 0.00 0.00 58.87 59.28 3dkd n SER 97 Cb 0.48 -1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 62.82 3dkd n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dkd s ALA 98 N 0.84 3.43 0.41 7.33 0.00 -1.26 -4.50 121.76 128.01 3dkd s ALA 98 Ca 0.73 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 3dkd s ALA 98 Cb -0.53 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 3dkd s ALA 98 CO 0.37 0.18 1.22 -2.30 0.00 0.00 0.00 175.76 175.23 3dkd n PRO 99 N 2.27 1.83 0.00 0.00 -0.02 -1.26 -1.40 135.00 136.42 3dkd n PRO 99 Ca -0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3dkd n PRO 99 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3dkd n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkd n GLY 100 N 0.88 2.81 3.90 -1.23 0.00 -1.26 -4.95 105.19 105.34 3dkd n GLY 100 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3dkd n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dkd s THR 101 N -2.74 3.74 0.08 2.61 -4.23 -0.49 -4.92 115.64 109.69 3dkd s THR 101 Ca 0.00 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 3dkd s THR 101 Cb 0.00 -3.52 -0.17 0.00 1.34 0.00 0.00 72.50 70.15 3dkd s THR 101 CO 0.00 -0.60 1.67 0.40 -0.54 0.00 0.00 174.62 175.55 3dkd h ILE 102 N -0.35 0.60 -0.45 2.99 2.04 -0.57 -1.13 117.51 120.64 3dkd h ILE 102 Ca -0.45 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 3dkd h ILE 102 Cb 1.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3dkd h ILE 102 CO 0.62 0.00 -0.24 0.03 0.00 0.00 0.00 178.15 178.56 3dkd h ARG 103 N -0.54 0.95 -0.70 2.37 3.08 -1.30 -1.74 114.38 116.50 3dkd h ARG 103 Ca -0.05 -0.43 0.08 0.00 0.07 0.00 0.00 59.98 59.65 3dkd h ARG 103 Cb 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3dkd h ARG 103 CO 0.09 1.09 0.46 0.78 -1.07 0.00 0.00 179.97 181.32 3dkd h GLY 104 N 0.79 0.87 1.11 0.04 0.00 -1.65 -0.36 103.07 103.86 3dkd h GLY 104 Ca 0.10 -0.26 -0.28 0.00 0.00 0.00 0.00 47.33 46.88 3dkd h GLY 104 CO 0.07 0.18 -1.62 -0.55 0.00 0.00 0.00 176.54 174.62 3dkd h ASP 105 N 0.65 0.04 0.00 0.19 3.32 -1.13 -3.40 116.42 116.09 3dkd h ASP 105 Ca 0.31 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dkd h ASP 105 Cb 0.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dkd h ASP 105 CO -0.10 1.07 -0.73 0.18 -1.72 0.00 0.00 179.24 177.94 3dkd n LEU 106 N -3.13 0.00 -4.77 1.55 4.77 -0.66 -5.05 117.00 109.71 3dkd n LEU 106 Ca -0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.48 3dkd n LEU 106 Cb 1.04 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.05 3dkd n LEU 106 CO 0.45 0.00 -0.25 0.00 -1.33 0.00 0.00 177.39 176.27 3dkd s ALA 107 N -1.50 3.56 -0.03 -1.18 0.00 -0.16 -5.00 121.76 117.44 3dkd s ALA 107 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3dkd s ALA 107 Cb 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 23.12 21.55 3dkd s ALA 107 CO 0.00 0.64 0.95 -1.71 0.00 0.00 0.00 175.76 175.64 3dkd n ASN 108 N 1.69 0.84 -3.94 0.00 5.15 -1.26 -4.73 115.26 112.99 3dkd n ASN 108 Ca -0.16 -2.11 -0.10 0.00 -0.60 0.00 0.00 54.58 51.61 3dkd n ASN 108 Cb 0.54 -0.20 -0.12 0.00 -0.53 0.00 0.00 39.78 39.47 3dkd n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dkd s ASP 109 N -1.32 0.16 0.33 1.20 3.68 -1.25 -4.95 116.67 114.53 3dkd s ASP 109 Ca 0.08 -0.35 0.13 0.00 2.13 0.00 0.00 52.55 54.55 3dkd s ASP 109 Cb 0.07 0.09 0.58 0.00 -1.45 0.00 0.00 42.92 42.21 3dkd s ASP 109 CO 0.01 -0.23 1.73 -0.29 0.13 0.00 0.00 175.17 176.52 3dkd h ILE 110 N 4.75 1.27 0.00 4.11 2.10 -1.98 -3.37 117.51 124.39 3dkd h ILE 110 Ca -0.30 -1.65 -0.18 0.00 1.08 0.00 0.00 64.86 63.82 3dkd h ILE 110 Cb 1.21 1.90 -0.03 0.00 -1.09 0.00 0.00 36.82 38.82 3dkd h ILE 110 CO 0.43 0.46 -1.29 0.61 -1.08 0.00 0.00 178.15 177.29 3dkd n GLY 111 N -0.08 -0.73 3.51 8.18 0.00 -1.26 -4.65 105.19 110.16 3dkd n GLY 111 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3dkd n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkd s GLU 112 N -2.46 3.55 -0.08 1.61 2.02 -1.26 -4.72 118.70 117.35 3dkd s GLU 112 Ca -0.27 -1.34 0.13 0.00 0.02 0.00 0.00 54.97 53.51 3dkd s GLU 112 Cb 0.06 -5.05 0.26 0.00 0.10 0.00 0.00 34.13 29.50 3dkd s GLU 112 CO 0.43 -2.00 1.12 0.27 0.02 0.00 0.00 175.26 175.11 3dkd n ASN 113 N 7.84 1.25 0.00 -0.19 0.23 -1.26 -3.91 115.26 119.23 3dkd n ASN 113 Ca 0.26 -2.71 0.00 0.00 -0.53 0.00 0.00 54.58 51.59 3dkd n ASN 113 Cb 0.50 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3dkd n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3dkd n LEU 114 N -0.55 0.00 -3.77 -4.53 4.77 -1.26 -4.82 117.00 106.83 3dkd n LEU 114 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3dkd n LEU 114 Cb 0.77 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.75 3dkd n LEU 114 CO -0.01 0.00 -0.05 -0.51 -1.33 0.00 0.00 177.39 175.49 3dkd s ILE 115 N 0.00 -0.00 -0.04 -0.08 2.07 -1.26 -1.17 121.20 120.71 3dkd s ILE 115 Ca 0.00 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3dkd s ILE 115 Cb 0.00 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 3dkd s ILE 115 CO 0.00 0.01 -0.05 -2.28 -1.91 0.00 0.00 174.94 170.71 3dkd s HIS 116 N 0.29 2.98 -0.00 3.50 5.65 -0.27 -4.96 115.29 122.47 3dkd s HIS 116 Ca -0.01 0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.35 3dkd s HIS 116 Cb -0.03 -1.69 0.00 0.00 -1.18 0.00 0.00 32.58 29.68 3dkd s HIS 116 CO -0.01 0.38 -0.01 0.00 -0.65 0.00 0.00 174.74 174.45 3dkd s ALA 117 N -0.91 0.14 0.43 1.58 0.00 -1.26 -0.85 121.76 120.89 3dkd s ALA 117 Ca 0.15 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 3dkd s ALA 117 Cb -0.11 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 3dkd s ALA 117 CO 0.04 0.02 1.16 0.43 0.00 0.00 0.00 175.76 177.41 3dkd n SER 118 N 3.20 1.99 -0.03 0.00 7.64 -0.68 -4.94 113.62 120.80 3dkd n SER 118 Ca -0.14 1.07 0.10 0.00 1.01 0.00 0.00 58.87 60.91 3dkd n SER 118 Cb 0.58 -1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 62.25 3dkd n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3dkd n ASP 119 N 0.27 1.02 -3.69 6.43 5.75 -1.26 -4.79 116.55 120.28 3dkd n ASP 119 Ca 0.08 -0.98 -0.10 0.00 -0.01 0.00 0.00 54.79 53.79 3dkd n ASP 119 Cb 0.40 0.92 -0.03 0.00 -1.03 0.00 0.00 41.12 41.38 3dkd n ASP 119 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3dkd s SER 120 N -2.97 -0.33 0.22 -1.12 1.04 -1.26 -4.91 113.70 104.37 3dkd s SER 120 Ca 0.09 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 3dkd s SER 120 Cb 0.16 0.61 0.30 0.00 0.10 0.00 0.00 66.02 67.19 3dkd s SER 120 CO 0.84 -1.09 1.79 -0.33 0.98 0.00 0.00 173.24 175.44 3dkd h GLU 121 N 2.12 0.62 0.02 4.02 5.08 -1.94 0.11 114.58 124.61 3dkd h GLU 121 Ca -0.28 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3dkd h GLU 121 Cb 1.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dkd h GLU 121 CO 0.35 0.41 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.32 3dkd h ASP 122 N 0.64 -0.03 0.68 1.42 3.45 -2.00 -2.64 116.42 117.95 3dkd h ASP 122 Ca 0.33 -0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.66 3dkd h ASP 122 Cb 0.30 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 3dkd h ASP 122 CO -0.23 -0.01 -0.60 0.77 -1.57 0.00 0.00 179.24 177.60 3dkd h SER 123 N -0.04 0.00 -0.23 6.45 4.64 -1.91 -2.82 113.55 119.64 3dkd h SER 123 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3dkd h SER 123 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3dkd h SER 123 CO 0.01 0.60 0.10 0.00 -0.87 0.00 0.00 176.83 176.67 3dkd h ALA 124 N 1.40 0.27 -0.29 5.18 0.00 -0.68 0.03 119.26 125.17 3dkd h ALA 124 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dkd h ALA 124 Cb 1.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3dkd h ALA 124 CO 0.08 -0.31 0.08 0.28 0.00 0.00 0.00 179.25 179.38 3dkd h VAL 125 N 0.23 0.90 -0.21 0.00 2.07 -1.40 -0.09 116.25 117.74 3dkd h VAL 125 Ca 0.09 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3dkd h VAL 125 Cb 0.03 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3dkd h VAL 125 CO -0.07 0.04 0.11 0.44 0.02 0.00 0.00 177.57 178.11 3dkd h ASP 126 N 0.20 0.18 -0.17 0.57 3.32 -1.29 -2.43 116.42 116.79 3dkd h ASP 126 Ca 0.13 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 3dkd h ASP 126 Cb 0.12 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dkd h ASP 126 CO -0.15 0.13 -0.50 -0.33 -1.72 0.00 0.00 179.24 176.67 3dkd h GLU 127 N 0.24 0.75 -0.93 3.56 5.08 -0.80 -2.11 114.58 120.37 3dkd h GLU 127 Ca 0.08 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3dkd h GLU 127 Cb 0.01 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3dkd h GLU 127 CO -0.05 1.07 0.60 0.82 -1.00 0.00 0.00 179.01 180.45 3dkd h ILE 128 N 0.59 1.24 0.00 3.13 2.04 -0.99 -1.69 117.51 121.83 3dkd h ILE 128 Ca 0.02 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 3dkd h ILE 128 Cb 1.08 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3dkd h ILE 128 CO 0.11 0.24 -0.44 0.77 0.00 0.00 0.00 178.15 178.83 3dkd h SER 129 N 1.27 0.00 0.22 1.72 4.64 -1.25 0.15 113.55 120.30 3dkd h SER 129 Ca 0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 3dkd h SER 129 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3dkd h SER 129 CO -0.07 0.44 -0.10 0.40 -0.87 0.00 0.00 176.83 176.63 3dkd h ILE 130 N 0.00 0.86 0.00 0.95 2.04 -0.80 -2.93 117.51 117.62 3dkd h ILE 130 Ca -0.00 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3dkd h ILE 130 Cb 0.85 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3dkd h ILE 130 CO 0.06 0.16 -0.53 -0.50 0.00 0.00 0.00 178.15 177.33 3dkd h TRP 131 N -0.69 0.00 -2.06 1.37 4.06 -1.30 -3.37 115.95 113.96 3dkd h TRP 131 Ca -0.03 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.38 3dkd h TRP 131 Cb 0.48 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.24 3dkd h TRP 131 CO 0.04 0.21 -1.03 1.19 -3.56 0.00 0.00 178.44 175.30 3dkd n PHE 132 N -3.02 0.89 0.05 0.49 3.72 0.54 -5.02 117.46 115.12 3dkd n PHE 132 Ca 0.01 -3.79 0.00 0.00 -0.05 0.00 0.00 57.45 53.62 3dkd n PHE 132 Cb 0.63 -0.42 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 3dkd n PHE 132 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36