#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsf s MET 2 N 0.00 -0.03 -0.15 -0.52 1.75 -0.33 -1.43 119.30 118.59 3jsf s MET 2 Ca 0.00 0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 3jsf s MET 2 Cb 0.00 -0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.31 3jsf s MET 2 CO 0.00 -0.28 -0.20 0.12 -0.65 0.00 0.00 175.02 174.01 3jsf s PHE 3 N 1.91 2.60 -0.09 4.11 5.36 -0.20 -0.75 117.98 130.91 3jsf s PHE 3 Ca 0.01 -1.38 0.03 0.00 -0.96 0.00 0.00 56.93 54.62 3jsf s PHE 3 Cb -0.12 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 3jsf s PHE 3 CO -0.04 -0.66 -0.19 0.42 -1.46 0.00 0.00 175.22 173.30 3jsf s ILE 4 N 1.01 2.59 -0.14 3.12 -1.09 -0.39 -1.39 121.20 124.90 3jsf s ILE 4 Ca -0.03 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 3jsf s ILE 4 Cb -0.15 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.73 3jsf s ILE 4 CO -0.06 0.55 -0.16 0.68 -1.23 0.00 0.00 174.94 174.73 3jsf s VAL 5 N 0.04 1.66 -0.18 2.92 -7.23 0.70 -1.59 120.40 116.72 3jsf s VAL 5 Ca -0.07 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 3jsf s VAL 5 Cb -0.15 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 3jsf s VAL 5 CO 0.05 0.47 0.01 0.20 -0.31 0.00 0.00 175.10 175.52 3jsf s ASN 6 N 1.30 5.05 0.04 4.85 0.01 -0.20 0.25 114.94 126.24 3jsf s ASN 6 Ca 0.01 -0.11 -0.07 0.00 -0.71 0.00 0.00 52.86 51.99 3jsf s ASN 6 Cb -0.14 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 3jsf s ASN 6 CO -0.08 0.12 0.13 0.28 -1.51 0.00 0.00 177.10 176.04 3jsf s THR 7 N 0.67 0.13 -2.28 1.60 -1.32 -0.25 -0.80 115.64 113.39 3jsf s THR 7 Ca 0.00 -1.07 0.27 0.00 -1.21 0.00 0.00 61.69 59.69 3jsf s THR 7 Cb -0.14 -0.97 0.46 0.00 -1.51 0.00 0.00 72.50 70.34 3jsf s THR 7 CO 0.02 -0.59 1.69 -0.46 -2.21 0.00 0.00 174.62 173.07 3jsf n ASN 8 N 0.63 1.36 -4.77 8.08 6.94 -1.23 -1.09 115.26 125.18 3jsf n ASN 8 Ca -0.18 -1.32 -0.41 0.00 -0.02 0.00 0.00 54.58 52.65 3jsf n ASN 8 Cb 0.59 0.04 -0.00 0.00 -2.36 0.00 0.00 39.78 38.05 3jsf n ASN 8 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3jsf n VAL 9 N -0.07 1.87 -1.94 3.53 0.31 -1.26 -4.23 118.33 116.55 3jsf n VAL 9 Ca 0.17 -0.47 -0.34 0.00 -0.01 0.00 0.00 64.34 63.69 3jsf n VAL 9 Cb 0.35 -1.96 0.03 0.00 -0.91 0.00 0.00 33.84 31.35 3jsf n VAL 9 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3jsf s PRO 10 N -1.89 3.01 0.24 5.55 0.04 -1.26 -0.12 135.00 140.57 3jsf s PRO 10 Ca 0.55 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 3jsf s PRO 10 Cb -0.48 -1.97 0.40 0.00 0.04 0.00 0.00 34.50 32.48 3jsf s PRO 10 CO 0.62 -1.09 1.78 -0.09 0.04 0.00 0.00 177.00 178.26 3jsf h ARG 11 N 0.43 0.62 0.00 4.56 9.65 -1.93 -0.75 114.38 126.95 3jsf h ARG 11 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3jsf h ARG 11 Cb 1.25 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3jsf h ARG 11 CO 0.55 0.41 0.00 0.00 2.80 0.00 0.00 179.97 183.73 3jsf h ALA 12 N 1.47 1.00 -0.01 2.80 0.00 -2.03 -1.25 119.26 121.24 3jsf h ALA 12 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3jsf h ALA 12 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jsf h ALA 12 CO -0.29 0.00 -0.05 0.43 0.00 0.00 0.00 179.25 179.33 3jsf n SER 13 N -2.65 1.44 -4.56 0.00 7.64 -0.29 -4.77 113.62 110.42 3jsf n SER 13 Ca -0.01 -1.38 -0.42 0.00 1.01 0.00 0.00 58.87 58.06 3jsf n SER 13 Cb 0.11 0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 3jsf n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jsf s VAL 14 N -2.11 4.79 0.52 0.44 1.01 -0.47 -4.72 120.40 119.85 3jsf s VAL 14 Ca 0.35 0.61 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 3jsf s VAL 14 Cb 0.21 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 3jsf s VAL 14 CO 0.37 -0.45 1.18 -2.65 0.00 0.00 0.00 175.10 173.55 3jsf n PRO 15 N 6.31 1.47 0.12 2.72 -0.02 -1.26 -4.89 135.00 139.45 3jsf n PRO 15 Ca 0.01 0.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 3jsf n PRO 15 Cb 0.48 -2.35 0.50 0.00 -0.02 0.00 0.00 33.50 32.12 3jsf n PRO 15 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3jsf h ASP 16 N 1.32 0.24 -0.63 2.55 3.45 -1.96 -2.02 116.42 119.37 3jsf h ASP 16 Ca -0.49 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3jsf h ASP 16 Cb 1.32 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 3jsf h ASP 16 CO 0.56 0.22 0.00 0.61 -1.57 0.00 0.00 179.24 179.06 3jsf n GLY 17 N -1.39 2.64 0.30 2.75 0.00 -1.26 -4.58 105.19 103.66 3jsf n GLY 17 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3jsf n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jsf h PHE 18 N 3.97 1.05 -0.62 1.61 3.57 -1.72 -1.00 116.94 123.81 3jsf h PHE 18 Ca 0.00 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 3jsf h PHE 18 Cb 1.47 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3jsf h PHE 18 CO 0.78 0.80 0.25 -0.07 -2.23 0.00 0.00 178.31 177.84 3jsf h LEU 19 N 1.00 0.85 -0.67 0.59 3.38 -1.82 -0.58 115.31 118.06 3jsf h LEU 19 Ca 0.24 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3jsf h LEU 19 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3jsf h LEU 19 CO -0.02 0.79 -0.00 0.28 0.09 0.00 0.00 178.44 179.57 3jsf h SER 20 N 0.86 1.00 -0.48 -0.43 0.02 -1.81 -0.81 113.55 111.90 3jsf h SER 20 Ca 0.21 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3jsf h SER 20 Cb 0.20 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3jsf h SER 20 CO -0.02 1.06 0.13 -0.08 -1.14 0.00 0.00 176.83 176.78 3jsf h GLU 21 N 0.94 0.76 -0.74 3.45 4.81 -0.90 -0.18 114.58 122.71 3jsf h GLU 21 Ca 0.17 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3jsf h GLU 21 Cb 0.55 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3jsf h GLU 21 CO 0.03 0.73 0.30 -0.07 -0.73 0.00 0.00 179.01 179.27 3jsf h LEU 22 N 0.65 1.02 0.05 1.64 3.38 -0.98 -0.92 115.31 120.16 3jsf h LEU 22 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jsf h LEU 22 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3jsf h LEU 22 CO -0.00 0.91 -0.02 0.74 0.09 0.00 0.00 178.44 180.16 3jsf h THR 23 N 1.07 1.01 -0.23 0.22 2.02 -0.77 0.02 112.91 116.26 3jsf h THR 23 Ca 0.25 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3jsf h THR 23 Cb 0.20 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3jsf h THR 23 CO -0.02 0.05 0.13 -0.61 0.37 0.00 0.00 175.52 175.44 3jsf h GLN 24 N -0.15 0.32 -0.63 6.66 4.15 -0.91 -0.60 115.11 123.95 3jsf h GLN 24 Ca -0.01 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 3jsf h GLN 24 Cb 0.13 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3jsf h GLN 24 CO 0.01 0.28 0.14 1.96 -1.93 0.00 0.00 178.83 179.29 3jsf h GLN 25 N 0.27 0.99 -0.20 1.69 1.08 -1.08 -1.44 115.11 116.43 3jsf h GLN 25 Ca 0.08 -0.23 -0.16 0.00 -1.45 0.00 0.00 58.65 56.90 3jsf h GLN 25 Cb 0.05 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3jsf h GLN 25 CO -0.01 0.89 -0.52 -0.07 -0.95 0.00 0.00 178.83 178.17 3jsf h LEU 26 N 0.95 0.62 0.28 1.46 3.38 -0.81 -0.00 115.31 121.18 3jsf h LEU 26 Ca 0.20 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3jsf h LEU 26 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3jsf h LEU 26 CO 0.00 1.03 -0.23 0.00 0.09 0.00 0.00 178.44 179.33 3jsf h ALA 27 N 0.99 -0.50 -0.39 1.53 0.00 -0.72 0.08 119.26 120.25 3jsf h ALA 27 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3jsf h ALA 27 Cb 1.06 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3jsf h ALA 27 CO 0.10 -0.81 0.16 0.37 0.00 0.00 0.00 179.25 179.07 3jsf h GLN 28 N -0.52 0.33 -0.31 0.00 4.15 -1.18 0.65 115.11 118.23 3jsf h GLN 28 Ca -0.02 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3jsf h GLN 28 Cb 0.46 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3jsf h GLN 28 CO -0.02 0.22 -0.26 0.00 -1.93 0.00 0.00 178.83 176.84 3jsf h ALA 29 N 1.24 0.98 0.00 3.38 0.00 -0.77 -3.05 119.26 121.04 3jsf h ALA 29 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3jsf h ALA 29 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jsf h ALA 29 CO -0.16 0.60 -0.93 0.25 0.00 0.00 0.00 179.25 179.00 3jsf n THR 30 N -4.11 0.34 -1.18 0.00 -2.24 -0.00 -4.95 114.28 102.14 3jsf n THR 30 Ca -0.00 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 3jsf n THR 30 Cb 0.43 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3jsf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jsf n GLY 31 N 1.31 0.84 3.72 3.38 0.00 0.20 -5.03 105.19 109.61 3jsf n GLY 31 Ca 0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3jsf n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jsf s LYS 32 N -2.43 2.87 0.54 1.61 1.02 -1.07 -5.04 119.74 117.24 3jsf s LYS 32 Ca 0.00 -0.58 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 3jsf s LYS 32 Cb 0.00 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 3jsf s LYS 32 CO 0.00 0.63 1.27 -1.25 -0.92 0.00 0.00 175.35 175.08 3jsf s PRO 33 N -1.67 3.21 0.53 -1.68 0.04 -1.26 -4.53 135.00 129.64 3jsf s PRO 33 Ca 0.21 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.48 3jsf s PRO 33 Cb -0.12 -2.19 1.37 0.00 0.04 0.00 0.00 34.50 33.60 3jsf s PRO 33 CO 0.12 -1.07 2.10 -1.35 0.04 0.00 0.00 177.00 176.85 3jsf h PRO 34 N 1.41 0.00 -0.01 0.56 0.11 -1.92 -1.61 132.00 130.53 3jsf h PRO 34 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jsf h PRO 34 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3jsf h PRO 34 CO 0.57 0.00 0.05 1.96 -0.21 0.00 0.00 178.00 180.37 3jsf h GLN 35 N 0.00 0.00 0.00 1.05 7.50 -1.98 -0.53 115.11 121.15 3jsf h GLN 35 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 3jsf h GLN 35 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 3jsf h GLN 35 CO -0.00 0.00 -0.73 1.88 -1.50 0.00 0.00 178.83 178.48 3jsf h TYR 36 N 0.00 0.00 -3.38 2.96 0.05 -1.65 -3.47 116.97 111.48 3jsf h TYR 36 Ca 0.01 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.23 3jsf h TYR 36 Cb 0.11 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 3jsf h TYR 36 CO 0.00 0.00 0.12 0.42 -1.05 0.00 0.00 178.16 177.65 3jsf s ILE 37 N -3.27 4.97 -0.07 -2.88 1.01 -0.21 -3.89 121.20 116.86 3jsf s ILE 37 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 60.65 62.25 3jsf s ILE 37 Cb 0.10 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3jsf s ILE 37 CO 0.75 0.27 -0.20 0.00 0.00 0.00 0.00 174.94 175.76 3jsf s ALA 38 N 0.62 2.38 0.03 9.38 0.00 -0.52 -5.03 121.76 128.61 3jsf s ALA 38 Ca 0.39 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.39 3jsf s ALA 38 Cb -0.19 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3jsf s ALA 38 CO 0.20 0.43 -0.15 0.08 0.00 0.00 0.00 175.76 176.31 3jsf s VAL 39 N -0.23 1.20 -0.15 0.00 1.01 -1.26 -1.04 120.40 119.92 3jsf s VAL 39 Ca -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3jsf s VAL 39 Cb -0.13 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.26 3jsf s VAL 39 CO 0.03 0.11 0.27 -2.28 0.00 0.00 0.00 175.10 173.23 3jsf s HIS 40 N -0.72 -0.45 -0.12 5.22 2.46 -0.49 -4.98 115.29 116.21 3jsf s HIS 40 Ca 0.03 0.87 0.02 0.00 0.47 0.00 0.00 55.06 56.46 3jsf s HIS 40 Cb -0.07 -0.07 -0.00 0.00 -0.13 0.00 0.00 32.58 32.31 3jsf s HIS 40 CO 0.01 -0.43 -0.20 0.08 -2.47 0.00 0.00 174.74 171.74 3jsf s VAL 41 N 2.42 2.38 -0.38 0.89 1.01 -1.26 -0.21 120.40 125.25 3jsf s VAL 41 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3jsf s VAL 41 Cb -0.13 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.41 3jsf s VAL 41 CO -0.10 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 174.98 3jsf s VAL 42 N 0.49 1.90 0.85 2.92 1.01 0.14 -4.97 120.40 122.74 3jsf s VAL 42 Ca -0.13 -2.35 -0.11 0.00 0.00 0.00 0.00 61.98 59.39 3jsf s VAL 42 Cb -0.17 -2.39 0.14 0.00 0.00 0.00 0.00 36.38 33.97 3jsf s VAL 42 CO 0.05 -0.69 1.19 -2.16 0.00 0.00 0.00 175.10 173.49 3jsf s PRO 43 N 0.76 1.35 -1.49 2.72 0.04 -1.26 -1.10 135.00 136.03 3jsf s PRO 43 Ca 0.13 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.79 3jsf s PRO 43 Cb -0.21 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3jsf s PRO 43 CO -0.09 -1.89 0.00 -0.25 0.04 0.00 0.00 177.00 174.81 3jsf n ASP 44 N -3.38 -4.76 -4.82 6.66 8.00 0.83 -4.84 116.55 114.23 3jsf n ASP 44 Ca 0.12 0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.48 3jsf n ASP 44 Cb 0.60 -3.75 -0.07 0.00 -0.02 0.00 0.00 41.12 37.88 3jsf n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jsf s GLN 45 N -4.02 4.21 -0.63 -1.24 -1.52 -0.25 -4.94 119.66 111.27 3jsf s GLN 45 Ca 0.00 1.05 -0.22 0.00 -1.95 0.00 0.00 55.36 54.23 3jsf s GLN 45 Cb 0.00 -2.26 0.07 0.00 -0.22 0.00 0.00 33.01 30.60 3jsf s GLN 45 CO 0.00 0.02 0.92 -1.17 -0.25 0.00 0.00 175.29 174.81 3jsf s LEU 46 N -3.08 4.47 0.05 2.90 2.96 -1.26 -4.10 118.68 120.63 3jsf s LEU 46 Ca 0.60 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3jsf s LEU 46 Cb -0.10 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3jsf s LEU 46 CO 0.14 -1.35 -0.06 -0.04 -1.32 0.00 0.00 176.35 173.72 3jsf s MET 47 N 3.84 0.55 0.04 1.98 -1.94 -1.26 -5.08 119.30 117.43 3jsf s MET 47 Ca 0.22 -0.88 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 3jsf s MET 47 Cb -0.17 -0.14 -0.02 0.00 2.01 0.00 0.00 34.83 36.50 3jsf s MET 47 CO 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 175.02 174.96 3jsf s ALA 48 N -2.08 1.36 -0.10 3.03 0.00 -1.26 -4.56 121.76 118.15 3jsf s ALA 48 Ca -0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 3jsf s ALA 48 Cb -0.05 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3jsf s ALA 48 CO -0.02 0.27 -0.01 0.12 0.00 0.00 0.00 175.76 176.12 3jsf s PHE 49 N -0.87 0.91 -1.65 0.00 2.19 -0.11 -4.72 117.98 113.73 3jsf s PHE 49 Ca 0.03 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 56.91 3jsf s PHE 49 Cb -0.08 -0.93 0.00 0.00 -1.31 0.00 0.00 43.02 40.69 3jsf s PHE 49 CO 0.02 -0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.07 3jsf n GLY 50 N 5.09 -0.23 2.40 13.12 0.00 -1.26 -1.81 105.19 122.49 3jsf n GLY 50 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3jsf n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsf n GLY 51 N -0.89 0.92 3.53 -0.02 0.00 -1.26 -5.03 105.19 102.45 3jsf n GLY 51 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3jsf n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jsf s SER 52 N -3.01 4.15 -0.25 1.61 0.15 -0.75 -5.03 113.70 110.56 3jsf s SER 52 Ca 0.00 -0.42 0.13 0.00 0.70 0.00 0.00 55.95 56.36 3jsf s SER 52 Cb 0.00 -0.73 0.69 0.00 -1.71 0.00 0.00 66.02 64.27 3jsf s SER 52 CO 0.00 0.21 1.65 -1.54 1.20 0.00 0.00 173.24 174.76 3jsf n SER 53 N 1.00 4.65 -4.65 5.45 3.41 -1.26 -0.93 113.62 121.29 3jsf n SER 53 Ca -0.15 -3.12 -0.30 0.00 -0.26 0.00 0.00 58.87 55.04 3jsf n SER 53 Cb 0.52 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.99 3jsf n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jsf s GLU 54 N -2.91 0.73 0.16 4.33 0.41 -1.26 -4.86 118.70 115.30 3jsf s GLU 54 Ca 0.50 1.29 -0.34 0.00 -0.41 0.00 0.00 54.97 56.02 3jsf s GLU 54 Cb 0.40 -1.71 -0.15 0.00 -1.78 0.00 0.00 34.13 30.89 3jsf s GLU 54 CO 0.12 -2.75 1.40 -2.30 -0.49 0.00 0.00 175.26 171.24 3jsf n PRO 55 N -4.29 1.68 -4.04 0.39 -0.02 -1.26 -4.87 135.00 122.59 3jsf n PRO 55 Ca 0.09 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3jsf n PRO 55 Cb 0.53 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3jsf n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jsf s ALA 57 N -3.69 -0.81 -0.17 0.00 0.00 -0.52 -3.56 121.76 113.03 3jsf s ALA 57 Ca 0.27 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3jsf s ALA 57 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3jsf s ALA 57 CO 0.13 -0.17 -0.12 -0.51 0.00 0.00 0.00 175.76 175.09 3jsf s LEU 58 N 0.44 2.64 0.21 0.00 1.43 0.02 -1.44 118.68 121.98 3jsf s LEU 58 Ca -0.02 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3jsf s LEU 58 Cb -0.04 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3jsf s LEU 58 CO -0.02 0.07 -0.10 0.00 0.23 0.00 0.00 176.35 176.53 3jsf s SER 60 N -3.31 0.10 -0.18 0.00 1.04 -0.62 -0.68 113.70 110.06 3jsf s SER 60 Ca 0.23 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.52 3jsf s SER 60 Cb 0.02 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.20 3jsf s SER 60 CO 0.07 -0.08 -0.12 -0.22 0.98 0.00 0.00 173.24 173.87 3jsf s LEU 61 N -0.41 2.01 -0.18 2.42 2.96 -0.07 -1.26 118.68 124.16 3jsf s LEU 61 Ca -0.04 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.06 3jsf s LEU 61 Cb -0.03 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 3jsf s LEU 61 CO -0.00 -0.11 0.13 -1.00 -1.32 0.00 0.00 176.35 174.05 3jsf s HIS 62 N 1.44 3.45 -0.03 5.38 3.76 0.07 -1.05 115.29 128.31 3jsf s HIS 62 Ca 0.01 0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 55.20 3jsf s HIS 62 Cb -0.15 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.46 3jsf s HIS 62 CO -0.09 0.40 0.20 0.45 -0.85 0.00 0.00 174.74 174.85 3jsf s SER 63 N -0.01 -0.11 -0.63 1.40 0.15 -0.58 -1.19 113.70 112.72 3jsf s SER 63 Ca 0.10 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.58 3jsf s SER 63 Cb -0.11 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.56 3jsf s SER 63 CO -0.00 -0.28 1.04 -0.63 1.20 0.00 0.00 173.24 174.57 3jsf s ILE 64 N -0.85 4.19 0.04 6.45 1.01 -1.26 -0.14 121.20 130.63 3jsf s ILE 64 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3jsf s ILE 64 Cb -0.05 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3jsf s ILE 64 CO 0.02 -1.42 0.00 0.61 0.00 0.00 0.00 174.94 174.15 3jsf n GLY 65 N 5.24 -1.71 2.57 6.18 0.00 -1.26 -4.92 105.19 111.29 3jsf n GLY 65 Ca 0.01 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 3jsf n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jsf n LYS 66 N -1.28 -2.56 -4.92 1.61 4.76 -1.26 -4.90 118.16 109.62 3jsf n LYS 66 Ca 0.00 0.99 -0.26 0.00 -2.87 0.00 0.00 58.31 56.17 3jsf n LYS 66 Cb 0.07 -5.72 -0.16 0.00 -1.84 0.00 0.00 35.03 27.39 3jsf n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jsf s ILE 67 N -3.09 1.50 0.00 -0.18 -1.09 -1.26 -4.87 121.20 112.22 3jsf s ILE 67 Ca 0.08 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3jsf s ILE 67 Cb -0.04 -1.25 0.00 0.00 -1.58 0.00 0.00 42.46 39.59 3jsf s ILE 67 CO 0.10 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3jsf n GLY 68 N 2.71 1.53 0.34 6.18 0.00 -1.26 -4.98 105.19 109.71 3jsf n GLY 68 Ca -0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 3jsf n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jsf h GLY 69 N 0.00 -1.23 1.07 -0.02 0.00 -1.99 0.52 103.07 101.41 3jsf h GLY 69 Ca 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 47.33 47.92 3jsf h GLY 69 CO 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 176.54 176.05 3jsf h ALA 70 N -0.48 0.63 -0.52 3.60 0.00 -2.00 -2.51 119.26 117.98 3jsf h ALA 70 Ca 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3jsf h ALA 70 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3jsf h ALA 70 CO -0.38 0.61 0.21 1.96 0.00 0.00 0.00 179.25 181.64 3jsf h GLN 71 N 0.77 0.78 -0.49 0.00 4.20 -1.85 -2.60 115.11 115.93 3jsf h GLN 71 Ca 0.10 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3jsf h GLN 71 Cb 0.77 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3jsf h GLN 71 CO 0.06 0.69 0.07 -0.91 -0.67 0.00 0.00 178.83 178.07 3jsf h ASN 72 N 0.71 0.74 -0.73 1.46 2.35 0.15 -0.46 115.58 119.80 3jsf h ASN 72 Ca 0.17 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3jsf h ASN 72 Cb 0.20 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3jsf h ASN 72 CO -0.01 0.76 0.42 -0.09 -1.65 0.00 0.00 177.43 176.86 3jsf h ARG 73 N 0.74 1.00 -0.38 0.81 2.43 -1.26 0.71 114.38 118.43 3jsf h ARG 73 Ca 0.16 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3jsf h ARG 73 Cb 0.36 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3jsf h ARG 73 CO 0.01 0.73 0.17 1.03 -1.51 0.00 0.00 179.97 180.39 3jsf h SER 74 N 1.00 0.51 -0.81 -3.80 0.87 -0.96 -1.58 113.55 108.78 3jsf h SER 74 Ca 0.26 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3jsf h SER 74 Cb -0.00 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 3jsf h SER 74 CO -0.05 0.51 0.52 1.88 -0.53 0.00 0.00 176.83 179.16 3jsf h TYR 75 N 0.47 0.97 -0.59 2.24 0.05 -0.72 -1.72 116.97 117.67 3jsf h TYR 75 Ca 0.13 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 3jsf h TYR 75 Cb 0.15 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3jsf h TYR 75 CO -0.01 0.56 0.18 0.77 -1.05 0.00 0.00 178.16 178.62 3jsf h SER 76 N 1.01 0.86 -0.27 3.88 0.02 -0.49 0.13 113.55 118.69 3jsf h SER 76 Ca 0.32 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3jsf h SER 76 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3jsf h SER 76 CO -0.11 0.84 0.14 0.50 -1.14 0.00 0.00 176.83 177.06 3jsf h LYS 77 N 0.83 0.38 -0.07 3.45 3.64 -1.06 0.62 116.57 124.36 3jsf h LYS 77 Ca 0.19 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3jsf h LYS 77 Cb 0.29 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3jsf h LYS 77 CO -0.01 0.35 0.04 1.25 -2.27 0.00 0.00 179.45 178.82 3jsf h LEU 78 N 0.31 0.08 0.08 5.20 5.85 -0.99 -1.83 115.31 124.02 3jsf h LEU 78 Ca 0.09 -0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.49 3jsf h LEU 78 Cb 0.09 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.12 3jsf h LEU 78 CO -0.01 0.09 -1.21 -0.07 -0.34 0.00 0.00 178.44 176.90 3jsf h LEU 79 N 0.05 0.80 -1.15 2.25 3.38 -0.65 -2.30 115.31 117.69 3jsf h LEU 79 Ca 0.02 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 3jsf h LEU 79 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3jsf h LEU 79 CO -0.00 1.55 0.28 0.00 0.09 0.00 0.00 178.44 180.35 3jsf h GLY 81 N 0.96 1.15 0.95 0.00 0.00 -1.17 -0.31 103.07 104.65 3jsf h GLY 81 Ca 0.21 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3jsf h GLY 81 CO -0.03 0.62 -0.18 1.41 0.00 0.00 0.00 176.54 178.37 3jsf h LEU 82 N 1.02 0.72 -0.90 3.11 3.38 -1.10 -1.08 115.31 120.46 3jsf h LEU 82 Ca 0.23 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3jsf h LEU 82 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3jsf h LEU 82 CO -0.01 0.98 0.12 -0.07 0.09 0.00 0.00 178.44 179.55 3jsf h LEU 83 N 0.47 0.88 -0.16 1.67 3.38 -1.00 0.14 115.31 120.69 3jsf h LEU 83 Ca 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3jsf h LEU 83 Cb 0.71 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3jsf h LEU 83 CO 0.05 0.87 -0.08 0.00 0.09 0.00 0.00 178.44 179.37 3jsf h ALA 84 N 1.24 0.22 -0.23 1.53 0.00 -1.01 -0.30 119.26 120.72 3jsf h ALA 84 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3jsf h ALA 84 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3jsf h ALA 84 CO 0.00 0.04 -0.32 1.49 0.00 0.00 0.00 179.25 180.47 3jsf h GLU 85 N 0.01 0.62 0.05 0.00 4.81 -1.00 -1.54 114.58 117.52 3jsf h GLU 85 Ca 0.03 -0.36 -0.33 0.00 -0.13 0.00 0.00 59.36 58.57 3jsf h GLU 85 Cb 0.56 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3jsf h GLU 85 CO 0.02 0.97 -1.94 0.54 -0.73 0.00 0.00 179.01 177.88 3jsf n ARG 86 N -4.29 0.69 0.00 1.92 5.12 0.46 -4.42 116.66 116.14 3jsf n ARG 86 Ca -0.05 0.25 0.05 0.00 -1.93 0.00 0.00 57.85 56.16 3jsf n ARG 86 Cb 0.48 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.05 3jsf n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jsf n LEU 87 N -3.21 0.92 -3.17 0.55 4.77 -0.22 -4.65 117.00 111.99 3jsf n LEU 87 Ca -0.26 -0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 54.83 3jsf n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.21 3jsf n LEU 87 CO 0.43 0.19 0.17 0.54 -1.33 0.00 0.00 177.39 177.39 3jsf n ARG 88 N -0.59 -6.53 -3.69 3.23 1.74 -0.58 -4.95 116.66 105.28 3jsf n ARG 88 Ca 0.03 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.53 3jsf n ARG 88 Cb 0.18 -5.57 -0.09 0.00 -1.02 0.00 0.00 32.46 25.96 3jsf n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jsf s ILE 89 N -3.25 5.35 0.28 0.55 1.01 -1.06 -4.94 121.20 119.14 3jsf s ILE 89 Ca 0.47 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 3jsf s ILE 89 Cb -0.21 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 3jsf s ILE 89 CO 0.58 0.38 1.49 -0.55 0.00 0.00 0.00 174.94 176.84 3jsf s SER 90 N 0.82 6.54 0.60 3.58 0.15 -1.26 -3.36 113.70 120.76 3jsf s SER 90 Ca 0.08 2.80 0.30 0.00 0.70 0.00 0.00 55.95 59.82 3jsf s SER 90 Cb -0.13 -2.63 1.72 0.00 -1.71 0.00 0.00 66.02 63.27 3jsf s SER 90 CO 0.02 -0.78 2.12 -0.65 1.20 0.00 0.00 173.24 175.15 3jsf h PRO 91 N 4.70 0.00 -0.22 5.44 0.11 -1.97 0.25 132.00 140.31 3jsf h PRO 91 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jsf h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jsf h PRO 91 CO 0.76 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3jsf n ASP 92 N -3.70 1.49 -0.97 -2.05 5.75 -1.26 -2.80 116.55 113.02 3jsf n ASP 92 Ca 0.01 -1.83 -0.02 0.00 -0.01 0.00 0.00 54.79 52.94 3jsf n ASP 92 Cb 0.29 -0.14 0.17 0.00 -1.03 0.00 0.00 41.12 40.41 3jsf n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jsf n ARG 93 N 0.26 1.99 -5.10 0.11 1.74 0.08 -5.00 116.66 110.73 3jsf n ARG 93 Ca 0.13 -3.43 -0.30 0.00 -0.77 0.00 0.00 57.85 53.47 3jsf n ARG 93 Cb 0.27 -1.78 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 3jsf n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jsf s VAL 94 N -3.49 1.85 -0.05 1.55 1.01 -1.12 -1.44 120.40 118.71 3jsf s VAL 94 Ca 0.42 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3jsf s VAL 94 Cb 0.39 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3jsf s VAL 94 CO -0.04 0.52 -0.19 -0.31 0.00 0.00 0.00 175.10 175.08 3jsf s TYR 95 N 0.16 2.57 -0.14 5.22 2.02 -0.52 -4.99 117.35 121.67 3jsf s TYR 95 Ca -0.11 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3jsf s TYR 95 Cb -0.15 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3jsf s TYR 95 CO 0.06 0.04 -0.09 0.42 -1.57 0.00 0.00 175.55 174.40 3jsf s ILE 96 N -0.54 1.23 -0.20 2.71 1.01 -1.26 -0.03 121.20 124.13 3jsf s ILE 96 Ca 0.07 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3jsf s ILE 96 Cb -0.11 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3jsf s ILE 96 CO 0.01 0.33 0.56 0.20 0.00 0.00 0.00 174.94 176.04 3jsf s ASN 97 N 1.61 6.61 -0.17 3.58 0.01 0.15 -4.95 114.94 121.78 3jsf s ASN 97 Ca 0.04 0.74 -0.10 0.00 -0.71 0.00 0.00 52.86 52.82 3jsf s ASN 97 Cb -0.13 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3jsf s ASN 97 CO -0.09 -0.21 0.18 -0.31 -1.51 0.00 0.00 177.10 175.16 3jsf s TYR 98 N 1.72 3.46 -0.14 2.20 2.02 -1.26 -0.89 117.35 124.46 3jsf s TYR 98 Ca 0.26 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 3jsf s TYR 98 Cb -0.16 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 3jsf s TYR 98 CO 0.10 0.37 -0.14 0.71 -1.57 0.00 0.00 175.55 175.01 3jsf s TYR 99 N 0.10 2.13 -0.50 2.71 2.02 -0.22 -4.97 117.35 118.63 3jsf s TYR 99 Ca 0.11 -1.17 -0.21 0.00 -0.37 0.00 0.00 57.07 55.43 3jsf s TYR 99 Cb -0.12 -1.57 0.04 0.00 -0.40 0.00 0.00 41.96 39.92 3jsf s TYR 99 CO 0.01 -0.64 0.75 0.34 -1.57 0.00 0.00 175.55 174.44 3jsf s ASP 100 N 1.40 6.30 0.08 2.29 -1.08 -1.26 -1.53 116.67 122.86 3jsf s ASP 100 Ca 0.03 -0.54 -0.15 0.00 -0.52 0.00 0.00 52.55 51.36 3jsf s ASP 100 Cb -0.13 -2.35 -0.06 0.00 -1.46 0.00 0.00 42.92 38.91 3jsf s ASP 100 CO -0.09 -0.99 0.49 -0.04 0.52 0.00 0.00 175.17 175.07 3jsf s MET 101 N 3.17 3.99 0.29 4.34 -1.94 0.79 -4.90 119.30 125.05 3jsf s MET 101 Ca 0.23 0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 54.44 3jsf s MET 101 Cb -0.15 -3.10 -0.09 0.00 2.01 0.00 0.00 34.83 33.49 3jsf s MET 101 CO 0.17 0.59 0.91 1.21 -0.01 0.00 0.00 175.02 177.89 3jsf s ASN 102 N -1.38 7.36 0.53 3.03 2.47 -1.26 -3.99 114.94 121.69 3jsf s ASN 102 Ca 0.31 1.79 0.20 0.00 0.42 0.00 0.00 52.86 55.58 3jsf s ASN 102 Cb -0.17 -2.56 1.33 0.00 -1.45 0.00 0.00 41.25 38.40 3jsf s ASN 102 CO 0.17 -0.00 2.10 0.00 -3.72 0.00 0.00 177.10 175.65 3jsf h ALA 103 N 3.42 2.16 0.00 1.71 0.00 -1.95 0.72 119.26 125.33 3jsf h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3jsf h ALA 103 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jsf h ALA 103 CO 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3jsf h ALA 104 N 1.91 1.00 -0.43 0.00 0.00 -1.93 -2.49 119.26 117.32 3jsf h ALA 104 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jsf h ALA 104 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3jsf h ALA 104 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3jsf n ASN 105 N -2.43 3.68 -4.09 0.00 5.03 0.24 -4.83 115.26 112.85 3jsf n ASN 105 Ca 0.03 -2.35 -0.33 0.00 0.87 0.00 0.00 54.58 52.80 3jsf n ASN 105 Cb 0.31 -0.41 -0.15 0.00 -1.02 0.00 0.00 39.78 38.51 3jsf n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jsf s VAL 106 N -1.64 2.18 0.18 2.41 1.01 -1.17 -4.90 120.40 118.46 3jsf s VAL 106 Ca 0.36 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3jsf s VAL 106 Cb 0.23 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3jsf s VAL 106 CO 0.18 0.17 0.56 -0.83 0.00 0.00 0.00 175.10 175.17 3jsf s GLY 107 N 1.18 2.40 -0.28 4.51 0.00 -1.26 -2.61 107.32 111.25 3jsf s GLY 107 Ca -0.04 -0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.28 3jsf s GLY 107 CO -0.08 0.06 0.90 0.86 0.00 0.00 0.00 173.10 174.84 3jsf s TRP 108 N -1.60 -0.64 -1.30 1.90 -0.00 0.32 -4.96 118.94 112.67 3jsf s TRP 108 Ca 0.41 1.47 -0.01 0.00 -0.00 0.00 0.00 56.10 57.98 3jsf s TRP 108 Cb -0.14 0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.70 3jsf s TRP 108 CO 0.20 -0.31 0.67 -1.71 -0.00 0.00 0.00 176.95 175.80 3jsf n ASN 109 N 2.76 -1.39 0.00 5.86 4.05 -1.26 -1.52 115.26 123.76 3jsf n ASN 109 Ca -0.14 -0.85 0.00 0.00 0.45 0.00 0.00 54.58 54.03 3jsf n ASN 109 Cb 0.56 -3.93 0.00 0.00 1.23 0.00 0.00 39.78 37.64 3jsf n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jsf n ASN 110 N -3.03 -0.52 0.00 1.20 3.02 -1.26 -4.89 115.26 109.77 3jsf n ASN 110 Ca -0.29 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3jsf n ASN 110 Cb 0.67 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3jsf n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jsf n SER 111 N -0.03 0.00 -2.48 6.41 2.88 -0.58 -5.19 113.62 114.63 3jsf n SER 111 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3jsf n SER 111 Cb 0.02 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 3jsf n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jsf n THR 112 N 0.00 0.00 0.35 2.46 -2.24 -1.26 -0.52 114.28 113.07 3jsf n THR 112 Ca 0.00 -0.89 0.08 0.00 -2.27 0.00 0.00 64.05 60.97 3jsf n THR 112 Cb 0.00 0.29 0.23 0.00 -2.10 0.00 0.00 70.33 68.75 3jsf n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jsf n PHE 113 N -0.36 0.72 -3.24 4.78 3.72 -0.95 -4.64 117.46 117.49 3jsf n PHE 113 Ca -0.03 -0.35 -0.46 0.00 -0.05 0.00 0.00 57.45 56.56 3jsf n PHE 113 Cb 0.23 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 3jsf n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsf s ALA 114 N -1.38 3.68 -0.69 4.37 0.00 -1.15 -4.71 121.76 121.87 3jsf s ALA 114 Ca 0.34 -2.66 0.06 0.00 0.00 0.00 0.00 51.96 49.70 3jsf s ALA 114 Cb 0.18 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.93 3jsf s ALA 114 CO 0.22 -2.23 0.82 1.28 0.00 0.00 0.00 175.76 175.84 3jsf n LEU 115 N 5.31 1.78 0.06 0.00 4.77 -1.26 -4.70 117.00 122.96 3jsf n LEU 115 Ca -0.04 -1.27 0.08 0.00 -0.03 0.00 0.00 56.01 54.75 3jsf n LEU 115 Cb 0.43 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3jsf n LEU 115 CO 0.50 0.40 -0.24 -0.62 -1.33 0.00 0.00 177.39 176.10 3jsf n GLU 116 N 0.26 0.62 -4.02 3.23 4.71 -1.26 -4.96 120.64 119.23 3jsf n GLU 116 Ca 0.04 0.08 -0.09 0.00 -0.01 0.00 0.00 57.16 57.18 3jsf n GLU 116 Cb 0.21 -1.75 -0.11 0.00 -1.01 0.00 0.00 31.44 28.77 3jsf n GLU 116 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3jsf s HIS 117 N -3.27 0.39 0.00 -0.32 3.76 -1.26 -5.34 115.29 109.25 3jsf s HIS 117 Ca -0.03 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 3jsf s HIS 117 Cb 0.10 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.52 3jsf s HIS 117 CO 0.82 -0.20 0.28 0.72 -0.85 0.00 0.00 174.74 175.51