#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9s s TYR 2 N 0.00 3.17 0.07 1.43 2.02 -1.26 -5.09 117.35 117.69 3k9s s TYR 2 Ca 0.00 1.50 0.02 0.00 -0.37 0.00 0.00 57.07 58.22 3k9s s TYR 2 Cb 0.00 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 3k9s s TYR 2 CO 0.00 -0.79 -0.08 0.95 -1.57 0.00 0.00 175.55 174.06 3k9s s THR 3 N -2.48 0.66 -0.16 -0.71 -4.23 -1.26 -4.99 115.64 102.47 3k9s s THR 3 Ca 0.62 -1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 3k9s s THR 3 Cb -0.14 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 3k9s s THR 3 CO 0.33 -0.54 1.20 -0.22 -0.54 0.00 0.00 174.62 174.86 3k9s s LEU 4 N -2.12 4.18 0.46 4.79 2.96 -1.26 -4.98 118.68 122.71 3k9s s LEU 4 Ca -0.01 1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 55.30 3k9s s LEU 4 Cb -0.05 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3k9s s LEU 4 CO -0.01 -0.72 1.20 -2.16 -1.32 0.00 0.00 176.35 173.34 3k9s s PRO 5 N 3.26 3.75 0.43 0.98 0.04 -1.26 -4.97 135.00 137.22 3k9s s PRO 5 Ca 0.53 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 3k9s s PRO 5 Cb -0.21 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 3k9s s PRO 5 CO 0.14 -0.58 1.38 -1.54 0.04 0.00 0.00 177.00 176.43 3k9s s SER 6 N -1.24 6.10 0.39 6.66 1.04 -1.26 -4.98 113.70 120.41 3k9s s SER 6 Ca 0.63 2.81 -0.26 0.00 0.48 0.00 0.00 55.95 59.61 3k9s s SER 6 Cb -0.31 -2.65 -0.09 0.00 0.10 0.00 0.00 66.02 63.07 3k9s s SER 6 CO 0.38 -1.01 1.29 -0.76 0.98 0.00 0.00 173.24 174.11 3k9s s LEU 7 N -2.55 4.25 0.00 2.42 1.43 -1.26 -4.91 118.68 118.06 3k9s s LEU 7 Ca 0.59 2.62 0.19 0.00 -1.03 0.00 0.00 54.13 56.50 3k9s s LEU 7 Cb -0.41 -3.87 1.13 0.00 0.03 0.00 0.00 46.19 43.07 3k9s s LEU 7 CO 0.53 -0.77 1.53 -2.65 0.23 0.00 0.00 176.35 175.23 3k9s n PRO 8 N 0.25 0.58 -3.93 1.29 -0.02 -1.26 -4.87 135.00 127.04 3k9s n PRO 8 Ca 0.03 0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 3k9s n PRO 8 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3k9s n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3k9s s TYR 9 N -2.03 0.22 0.82 6.00 -0.85 -1.26 -5.16 117.35 115.09 3k9s s TYR 9 Ca 0.28 -0.65 -0.11 0.00 -0.52 0.00 0.00 57.07 56.07 3k9s s TYR 9 Cb 0.13 0.43 0.08 0.00 0.38 0.00 0.00 41.96 42.98 3k9s s TYR 9 CO 0.22 -1.18 1.09 0.00 -1.52 0.00 0.00 175.55 174.16 3k9s s ALA 10 N -3.61 2.06 0.46 9.51 0.00 -1.26 -4.92 121.76 124.01 3k9s s ALA 10 Ca 0.19 -0.10 0.37 0.00 0.00 0.00 0.00 51.96 52.42 3k9s s ALA 10 Cb -0.03 -3.15 1.89 0.00 0.00 0.00 0.00 23.12 21.83 3k9s s ALA 10 CO 0.10 -1.89 2.20 1.88 0.00 0.00 0.00 175.76 178.05 3k9s h TYR 11 N -1.21 0.00 -0.50 0.00 0.05 -1.97 -1.61 116.97 111.73 3k9s h TYR 11 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3k9s h TYR 11 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3k9s h TYR 11 CO 0.47 0.03 0.00 -0.40 -1.05 0.00 0.00 178.16 177.21 3k9s n ASP 12 N -3.28 3.22 0.12 3.88 3.85 -1.26 -4.17 116.55 118.91 3k9s n ASP 12 Ca -0.02 -1.97 0.12 0.00 -0.71 0.00 0.00 54.79 52.21 3k9s n ASP 12 Cb 0.17 -0.33 0.47 0.00 -1.35 0.00 0.00 41.12 40.08 3k9s n ASP 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k9s n ALA 13 N 1.29 1.76 0.22 2.12 0.00 -0.61 -1.78 120.51 123.51 3k9s n ALA 13 Ca 0.20 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.79 3k9s n ALA 13 Cb 0.54 -1.39 0.17 0.00 0.00 0.00 0.00 19.45 18.77 3k9s n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k9s n LEU 14 N -2.18 3.05 -4.76 0.00 4.77 -1.26 -4.67 117.00 111.95 3k9s n LEU 14 Ca 0.03 -1.52 -0.39 0.00 -0.03 0.00 0.00 56.01 54.10 3k9s n LEU 14 Cb 0.25 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3k9s n LEU 14 CO 0.21 0.67 1.02 -1.61 -1.33 0.00 0.00 177.39 176.35 3k9s s GLU 15 N -1.26 3.64 -0.21 3.23 0.41 -0.73 -0.36 118.70 123.41 3k9s s GLU 15 Ca 0.30 2.30 0.07 0.00 -0.41 0.00 0.00 54.97 57.23 3k9s s GLU 15 Cb 0.18 -2.59 0.52 0.00 -1.78 0.00 0.00 34.13 30.46 3k9s s GLU 15 CO 0.25 -0.81 1.45 -0.35 -0.49 0.00 0.00 175.26 175.31 3k9s n PRO 16 N -0.31 3.01 -0.09 0.39 -0.04 -1.26 -4.92 135.00 131.78 3k9s n PRO 16 Ca 0.06 -2.11 -0.12 0.00 -0.04 0.00 0.00 63.50 61.28 3k9s n PRO 16 Cb 0.43 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 3k9s n PRO 16 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3k9s n HIS 17 N 0.05 0.45 -4.04 0.54 8.25 0.51 -4.87 115.22 116.11 3k9s n HIS 17 Ca 0.27 0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.57 3k9s n HIS 17 Cb 1.05 -0.74 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 3k9s n HIS 17 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3k9s s PHE 18 N -2.56 3.27 0.33 4.41 0.40 -0.52 -4.99 117.98 118.34 3k9s s PHE 18 Ca -0.26 0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 3k9s s PHE 18 Cb 0.05 -2.03 -0.09 0.00 0.51 0.00 0.00 43.02 41.46 3k9s s PHE 18 CO 0.39 0.24 1.16 0.16 0.70 0.00 0.00 175.22 177.87 3k9s s ASP 19 N 0.10 6.91 0.27 1.36 -4.77 -1.26 -3.51 116.67 115.77 3k9s s ASP 19 Ca 0.05 2.37 -0.03 0.00 -3.30 0.00 0.00 52.55 51.63 3k9s s ASP 19 Cb -0.12 -2.63 0.36 0.00 -1.09 0.00 0.00 42.92 39.44 3k9s s ASP 19 CO 0.01 -0.41 1.89 0.50 0.70 0.00 0.00 175.17 177.86 3k9s h LYS 20 N 3.28 1.08 -0.58 2.11 3.64 -1.93 -1.66 116.57 122.51 3k9s h LYS 20 Ca -0.48 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3k9s h LYS 20 Cb 1.22 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3k9s h LYS 20 CO 0.65 0.79 0.36 0.37 -2.27 0.00 0.00 179.45 179.36 3k9s h GLN 21 N 1.08 0.78 -0.25 1.90 4.15 -1.92 -2.07 115.11 118.78 3k9s h GLN 21 Ca 0.27 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.58 3k9s h GLN 21 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3k9s h GLN 21 CO -0.04 0.54 -0.06 1.15 -1.93 0.00 0.00 178.83 178.49 3k9s h THR 22 N 0.78 1.28 -0.72 2.39 2.02 -1.86 -2.22 112.91 114.59 3k9s h THR 22 Ca 0.21 -1.07 0.14 0.00 0.77 0.00 0.00 66.41 66.46 3k9s h THR 22 Cb -0.04 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.74 3k9s h THR 22 CO -0.04 0.33 0.22 0.24 0.37 0.00 0.00 175.52 176.65 3k9s h MET 23 N 0.22 0.33 0.23 6.66 2.86 -1.14 0.23 114.93 124.32 3k9s h MET 23 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3k9s h MET 23 Cb 0.53 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3k9s h MET 23 CO 0.02 0.22 -0.11 1.49 1.06 0.00 0.00 176.91 179.60 3k9s h GLU 24 N 0.34 -0.29 -0.59 1.72 4.81 -1.08 -1.96 114.58 117.53 3k9s h GLU 24 Ca 0.40 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3k9s h GLU 24 Cb 0.63 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3k9s h GLU 24 CO -0.44 -0.02 0.29 0.82 -0.73 0.00 0.00 179.01 178.92 3k9s h ILE 25 N -0.55 1.21 -0.88 2.32 2.04 -1.09 -0.05 117.51 120.51 3k9s h ILE 25 Ca -0.03 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3k9s h ILE 25 Cb 0.41 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3k9s h ILE 25 CO 0.05 0.24 0.58 -0.74 0.00 0.00 0.00 178.15 178.27 3k9s h HIS 26 N 0.80 1.09 0.00 1.37 2.76 -0.47 0.58 115.15 121.28 3k9s h HIS 26 Ca 0.20 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3k9s h HIS 26 Cb 0.11 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.70 3k9s h HIS 26 CO -0.00 0.66 -0.08 1.25 -1.30 0.00 0.00 177.93 178.45 3k9s h HIS 27 N 1.15 0.00 0.00 5.26 -0.00 -1.17 -1.47 115.15 118.92 3k9s h HIS 27 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.68 3k9s h HIS 27 Cb -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 3k9s h HIS 27 CO -0.01 0.45 -0.10 1.79 -0.00 0.00 0.00 177.93 180.06 3k9s h THR 28 N -1.00 0.19 0.00 6.26 1.35 -1.03 -2.86 112.91 115.82 3k9s h THR 28 Ca -0.02 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 3k9s h THR 28 Cb 0.47 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3k9s h THR 28 CO -0.01 0.09 -0.34 0.29 -0.25 0.00 0.00 175.52 175.30 3k9s n LYS 29 N -3.16 0.18 0.30 4.72 4.76 0.17 -4.45 118.16 120.68 3k9s n LYS 29 Ca 0.02 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.37 3k9s n LYS 29 Cb 0.47 -0.74 -0.08 0.00 -1.84 0.00 0.00 35.03 32.84 3k9s n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3k9s h HIS 30 N -0.34 -0.69 -0.55 2.13 3.86 -1.44 -2.11 115.15 116.01 3k9s h HIS 30 Ca 0.00 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3k9s h HIS 30 Cb 0.34 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3k9s h HIS 30 CO -0.15 -0.38 0.20 1.25 0.86 0.00 0.00 177.93 179.71 3k9s h HIS 31 N -0.86 0.87 -0.68 2.45 -0.00 -1.29 -2.49 115.15 113.14 3k9s h HIS 31 Ca -0.08 -0.08 0.10 0.00 -0.00 0.00 0.00 60.37 60.32 3k9s h HIS 31 Cb 0.61 -0.25 -0.08 0.00 -0.00 0.00 0.00 27.41 27.69 3k9s h HIS 31 CO -0.01 0.72 0.30 0.37 -0.00 0.00 0.00 177.93 179.30 3k9s h GLN 32 N 0.76 0.48 -0.86 5.26 5.75 -1.50 -1.74 115.11 123.27 3k9s h GLN 32 Ca 0.18 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3k9s h GLN 32 Cb 0.24 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3k9s h GLN 32 CO -0.01 0.32 0.57 1.15 -2.65 0.00 0.00 178.83 178.21 3k9s h THR 33 N 0.50 1.22 -0.57 2.39 2.02 -0.95 0.37 112.91 117.89 3k9s h THR 33 Ca 0.35 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3k9s h THR 33 Cb 0.43 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3k9s h THR 33 CO -0.31 0.21 0.37 1.88 0.37 0.00 0.00 175.52 178.05 3k9s h TYR 34 N 1.17 0.73 -0.34 3.16 0.05 -0.97 -0.26 116.97 120.51 3k9s h TYR 34 Ca 0.31 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.12 3k9s h TYR 34 Cb -0.13 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.34 3k9s h TYR 34 CO -0.01 0.47 0.20 0.28 -1.05 0.00 0.00 178.16 178.05 3k9s h VAL 35 N 0.78 1.04 -0.30 -2.88 2.07 -0.68 0.70 116.25 116.98 3k9s h VAL 35 Ca 0.21 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3k9s h VAL 35 Cb -0.07 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3k9s h VAL 35 CO -0.04 0.07 0.18 0.78 0.02 0.00 0.00 177.57 178.58 3k9s h ASN 36 N 0.41 0.36 0.03 0.57 2.35 -0.45 -1.74 115.58 117.11 3k9s h ASN 36 Ca 0.13 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 3k9s h ASN 36 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3k9s h ASN 36 CO -0.06 0.30 -0.52 0.78 -1.65 0.00 0.00 177.43 176.28 3k9s h ASN 37 N 0.39 0.60 -0.31 5.81 2.35 -0.73 -1.04 115.58 122.65 3k9s h ASN 37 Ca 0.11 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3k9s h ASN 37 Cb 0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3k9s h ASN 37 CO -0.02 1.01 0.09 0.00 -1.65 0.00 0.00 177.43 176.86 3k9s h ALA 38 N 1.01 0.40 -0.69 -0.83 0.00 -0.77 -2.47 119.26 115.90 3k9s h ALA 38 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3k9s h ALA 38 Cb 1.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3k9s h ALA 38 CO 0.10 0.04 0.27 -0.91 0.00 0.00 0.00 179.25 178.75 3k9s h ASN 39 N 0.34 0.97 -0.52 0.00 2.35 -1.18 -1.37 115.58 116.17 3k9s h ASN 39 Ca 0.10 -0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3k9s h ASN 39 Cb 0.26 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3k9s h ASN 39 CO -0.00 0.88 0.19 0.00 -1.65 0.00 0.00 177.43 176.85 3k9s h ALA 40 N 1.12 0.64 -0.06 -0.83 0.00 -1.09 -2.29 119.26 116.75 3k9s h ALA 40 Ca 0.23 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3k9s h ALA 40 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k9s h ALA 40 CO -0.02 -0.21 -0.54 0.00 0.00 0.00 0.00 179.25 178.49 3k9s h ALA 41 N 1.34 0.99 0.00 0.00 0.00 -0.94 -3.13 119.26 117.52 3k9s h ALA 41 Ca 0.25 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k9s h ALA 41 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k9s h ALA 41 CO -0.25 0.68 -0.21 1.28 0.00 0.00 0.00 179.25 180.75 3k9s n LEU 42 N -3.92 0.26 -0.36 0.00 4.77 -0.57 -4.00 117.00 113.19 3k9s n LEU 42 Ca -0.02 0.31 0.05 0.00 -0.03 0.00 0.00 56.01 56.32 3k9s n LEU 42 Cb 0.56 -0.38 0.22 0.00 -2.33 0.00 0.00 43.42 41.49 3k9s n LEU 42 CO 0.43 0.04 1.25 -0.08 -1.33 0.00 0.00 177.39 177.69 3k9s h GLU 43 N 0.00 1.03 -0.00 3.23 4.57 -1.36 -0.19 114.58 121.85 3k9s h GLU 43 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3k9s h GLU 43 Cb 0.52 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3k9s h GLU 43 CO 0.00 0.68 -0.01 -1.13 -1.18 0.00 0.00 179.01 177.37 3k9s n SER 44 N -4.55 0.11 -3.45 1.04 3.41 -1.26 -4.51 113.62 104.41 3k9s n SER 44 Ca 0.17 -0.73 -0.27 0.00 -0.26 0.00 0.00 58.87 57.78 3k9s n SER 44 Cb 0.28 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 3k9s n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k9s n LEU 45 N -1.02 2.75 0.19 1.04 4.77 -0.08 -4.95 117.00 119.70 3k9s n LEU 45 Ca 0.20 -5.21 0.14 0.00 -0.03 0.00 0.00 56.01 51.11 3k9s n LEU 45 Cb 0.18 -0.37 0.63 0.00 -2.33 0.00 0.00 43.42 41.53 3k9s n LEU 45 CO 0.20 2.00 0.92 1.55 -1.33 0.00 0.00 177.39 180.73 3k9s h PRO 46 N 4.41 0.00 0.00 3.23 0.13 -1.79 0.12 132.00 138.10 3k9s h PRO 46 Ca 0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 3k9s h PRO 46 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3k9s h PRO 46 CO 0.72 0.00 -0.49 0.93 -0.23 0.00 0.00 178.00 178.93 3k9s h GLU 47 N 0.00 0.00 0.00 0.86 3.07 -1.93 -3.32 114.58 113.26 3k9s h GLU 47 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 3k9s h GLU 47 Cb 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 3k9s h GLU 47 CO 0.00 0.38 -2.04 1.19 -1.40 0.00 0.00 179.01 177.14 3k9s n PHE 48 N -3.16 0.38 0.23 4.33 3.72 -0.44 -4.46 117.46 118.05 3k9s n PHE 48 Ca 0.01 0.13 0.07 0.00 -0.05 0.00 0.00 57.45 57.62 3k9s n PHE 48 Cb 0.70 -1.00 0.53 0.00 -0.94 0.00 0.00 39.48 38.77 3k9s n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k9s h ALA 49 N 1.17 1.45 0.00 4.37 0.00 -0.92 -2.50 119.26 122.82 3k9s h ALA 49 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3k9s h ALA 49 Cb 1.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3k9s h ALA 49 CO 0.04 0.27 -0.07 0.27 0.00 0.00 0.00 179.25 179.76 3k9s n ASN 50 N -4.00 0.54 -4.79 0.00 0.23 -1.26 -4.86 115.26 101.12 3k9s n ASN 50 Ca -0.02 0.48 -0.34 0.00 -0.53 0.00 0.00 54.58 54.17 3k9s n ASN 50 Cb 0.29 -0.58 -0.01 0.00 -2.08 0.00 0.00 39.78 37.41 3k9s n ASN 50 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3k9s s LEU 51 N -3.96 3.69 0.45 -4.53 1.43 -0.95 -5.00 118.68 109.81 3k9s s LEU 51 Ca 0.11 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 54.89 3k9s s LEU 51 Cb 0.15 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3k9s s LEU 51 CO 0.59 -1.01 1.36 -2.65 0.23 0.00 0.00 176.35 174.87 3k9s n PRO 52 N -1.45 2.09 -0.24 1.29 -0.02 -1.26 -4.80 135.00 130.61 3k9s n PRO 52 Ca 0.09 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.41 3k9s n PRO 52 Cb 0.52 -2.53 0.35 0.00 -0.02 0.00 0.00 33.50 31.82 3k9s n PRO 52 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3k9s h VAL 53 N 2.15 0.94 0.00 -1.45 3.04 -1.96 -0.17 116.25 118.80 3k9s h VAL 53 Ca -0.50 -0.26 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 3k9s h VAL 53 Cb 1.28 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3k9s h VAL 53 CO 0.60 0.14 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.70 3k9s h GLU 54 N 0.77 0.00 0.08 4.17 3.07 -1.93 -2.53 114.58 118.20 3k9s h GLU 54 Ca 0.39 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.14 3k9s h GLU 54 Cb 0.48 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3k9s h GLU 54 CO -0.16 0.27 -0.51 1.49 -1.40 0.00 0.00 179.01 178.71 3k9s h GLU 55 N 0.00 0.17 -0.95 2.33 4.81 -1.46 -3.34 114.58 116.13 3k9s h GLU 55 Ca -0.00 -0.28 0.24 0.00 -0.13 0.00 0.00 59.36 59.18 3k9s h GLU 55 Cb 0.66 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.01 3k9s h GLU 55 CO 0.04 1.14 0.48 1.25 -0.73 0.00 0.00 179.01 181.18 3k9s h LEU 56 N -0.64 0.47 0.00 1.64 5.85 -0.85 -0.20 115.31 121.57 3k9s h LEU 56 Ca -0.09 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3k9s h LEU 56 Cb 1.37 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3k9s h LEU 56 CO 0.08 0.02 0.00 2.30 -0.34 0.00 0.00 178.44 180.50 3k9s n ILE 57 N -4.99 0.50 0.67 4.05 -5.35 -0.98 -1.23 119.36 112.03 3k9s n ILE 57 Ca 0.25 0.13 0.07 0.00 -0.27 0.00 0.00 62.75 62.92 3k9s n ILE 57 Cb 0.72 -0.78 0.18 0.00 -1.74 0.00 0.00 39.64 38.02 3k9s n ILE 57 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3k9s n THR 58 N -1.40 0.57 -1.84 7.28 -2.24 -0.09 -4.03 114.28 112.54 3k9s n THR 58 Ca 0.07 -0.56 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 3k9s n THR 58 Cb 0.20 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 3k9s n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k9s n LYS 59 N 0.70 0.40 0.16 -0.78 5.02 -0.37 -4.85 118.16 118.45 3k9s n LYS 59 Ca 0.14 -1.68 0.06 0.00 -2.02 0.00 0.00 58.31 54.81 3k9s n LYS 59 Cb 0.36 -0.72 0.54 0.00 -0.02 0.00 0.00 35.03 35.18 3k9s n LYS 59 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3k9s h LEU 60 N 0.23 0.17 -1.25 -0.35 3.38 -1.74 0.11 115.31 115.85 3k9s h LEU 60 Ca -0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3k9s h LEU 60 Cb 1.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3k9s h LEU 60 CO 0.02 0.15 -0.21 0.44 0.09 0.00 0.00 178.44 178.93 3k9s h ASP 61 N 0.19 0.25 1.26 -0.43 3.45 -1.93 -2.87 116.42 116.34 3k9s h ASP 61 Ca 0.05 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3k9s h ASP 61 Cb 0.04 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3k9s h ASP 61 CO -0.01 0.47 0.00 1.56 -1.57 0.00 0.00 179.24 179.69 3k9s h GLN 62 N 0.23 0.00 -7.29 3.56 4.20 -1.16 -3.45 115.11 111.20 3k9s h GLN 62 Ca 0.04 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.24 3k9s h GLN 62 Cb 0.51 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.40 3k9s h GLN 62 CO 0.03 0.00 0.34 -0.51 -0.67 0.00 0.00 178.83 178.02 3k9s s LEU 63 N -5.44 3.12 0.40 1.46 1.43 -1.08 -4.99 118.68 113.58 3k9s s LEU 63 Ca 0.05 1.83 -0.27 0.00 -1.03 0.00 0.00 54.13 54.71 3k9s s LEU 63 Cb 0.09 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3k9s s LEU 63 CO 0.54 -1.86 1.44 -2.65 0.23 0.00 0.00 176.35 174.05 3k9s n PRO 64 N -3.23 2.45 -0.32 1.29 -0.02 -1.26 -4.87 135.00 129.04 3k9s n PRO 64 Ca 0.09 0.86 0.19 0.00 -2.02 0.00 0.00 63.50 62.63 3k9s n PRO 64 Cb 0.53 -2.61 0.46 0.00 -0.02 0.00 0.00 33.50 31.85 3k9s n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k9s h ALA 65 N 2.64 2.06 -0.10 3.55 0.00 -1.94 0.26 119.26 125.73 3k9s h ALA 65 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k9s h ALA 65 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3k9s h ALA 65 CO 0.63 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3k9s n ASP 66 N -4.66 0.65 -0.14 0.00 3.85 -1.26 -2.94 116.55 112.05 3k9s n ASP 66 Ca 0.24 -1.81 0.04 0.00 -0.71 0.00 0.00 54.79 52.55 3k9s n ASP 66 Cb 0.77 -0.07 -0.01 0.00 -1.35 0.00 0.00 41.12 40.46 3k9s n ASP 66 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3k9s n LYS 67 N -0.23 2.75 0.16 0.11 4.76 0.92 -4.80 118.16 121.83 3k9s n LYS 67 Ca 0.08 -0.40 -0.14 0.00 -2.87 0.00 0.00 58.31 54.98 3k9s n LYS 67 Cb 0.13 -1.00 -0.08 0.00 -1.84 0.00 0.00 35.03 32.24 3k9s n LYS 67 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3k9s h LYS 68 N 0.70 -0.36 -0.08 1.97 3.64 -1.45 -2.74 116.57 118.25 3k9s h LYS 68 Ca 0.00 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 3k9s h LYS 68 Cb 0.27 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3k9s h LYS 68 CO 0.00 -0.16 -0.62 1.15 -2.27 0.00 0.00 179.45 177.55 3k9s h THR 69 N -0.50 1.35 -0.23 1.00 2.02 -1.87 0.24 112.91 114.93 3k9s h THR 69 Ca -0.04 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.17 3k9s h THR 69 Cb 0.37 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3k9s h THR 69 CO 0.06 0.59 0.02 1.62 0.37 0.00 0.00 175.52 178.18 3k9s h VAL 70 N 0.17 1.13 0.04 3.16 3.04 -1.88 -0.50 116.25 121.41 3k9s h VAL 70 Ca -0.05 -0.50 -0.29 0.00 -1.01 0.00 0.00 66.70 64.84 3k9s h VAL 70 Cb 1.28 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.47 3k9s h VAL 70 CO 0.13 0.17 -1.62 -0.07 -1.01 0.00 0.00 177.57 175.16 3k9s h LEU 71 N 0.32 0.14 -0.28 3.16 3.38 -1.37 -1.94 115.31 118.73 3k9s h LEU 71 Ca 0.08 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3k9s h LEU 71 Cb 0.19 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3k9s h LEU 71 CO 0.00 1.22 -0.03 -0.09 0.09 0.00 0.00 178.44 179.63 3k9s h ARG 72 N 0.02 0.04 -0.07 1.13 2.43 -0.33 0.96 114.38 118.57 3k9s h ARG 72 Ca -0.26 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3k9s h ARG 72 Cb 1.99 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3k9s h ARG 72 CO 0.10 0.03 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.67 3k9s h ASN 73 N 0.04 0.14 0.19 -3.80 2.35 -1.15 -2.23 115.58 111.11 3k9s h ASN 73 Ca 0.13 -0.34 -0.35 0.00 -0.55 0.00 0.00 56.30 55.19 3k9s h ASN 73 Cb 0.19 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3k9s h ASN 73 CO -0.25 0.44 -1.87 0.78 -1.65 0.00 0.00 177.43 174.88 3k9s h ASN 74 N -0.18 0.47 -0.57 5.81 2.35 -1.32 -1.13 115.58 121.01 3k9s h ASN 74 Ca 0.02 -0.87 -0.09 0.00 -0.55 0.00 0.00 56.30 54.80 3k9s h ASN 74 Cb 0.38 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3k9s h ASN 74 CO 0.01 1.77 -0.01 0.00 -1.65 0.00 0.00 177.43 177.54 3k9s h ALA 75 N 0.16 0.77 -0.39 -0.83 0.00 -0.99 -1.05 119.26 116.95 3k9s h ALA 75 Ca -0.38 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.28 3k9s h ALA 75 Cb 2.06 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 3k9s h ALA 75 CO 0.13 0.61 0.10 0.78 0.00 0.00 0.00 179.25 180.87 3k9s h GLY 76 N 0.91 0.47 0.91 0.00 0.00 -1.27 -0.55 103.07 103.53 3k9s h GLY 76 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3k9s h GLY 76 CO 0.03 -0.01 0.40 -1.33 0.00 0.00 0.00 176.54 175.63 3k9s h GLY 77 N 0.23 0.91 0.81 4.60 0.00 -0.99 -0.17 103.07 108.46 3k9s h GLY 77 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3k9s h GLY 77 CO -0.22 0.27 0.01 0.84 0.00 0.00 0.00 176.54 177.44 3k9s h HIS 78 N 0.79 0.08 -0.30 5.60 6.17 -0.83 -0.88 115.15 125.79 3k9s h HIS 78 Ca 0.25 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.32 3k9s h HIS 78 Cb -0.01 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 3k9s h HIS 78 CO -0.04 0.26 0.19 0.00 0.71 0.00 0.00 177.93 179.05 3k9s h ALA 79 N 0.81 0.38 -0.33 5.26 0.00 -0.97 -0.93 119.26 123.48 3k9s h ALA 79 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3k9s h ALA 79 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k9s h ALA 79 CO -0.00 -0.15 0.09 -0.91 0.00 0.00 0.00 179.25 178.28 3k9s h ASN 80 N 0.40 0.50 0.02 0.00 2.35 -0.93 -2.21 115.58 115.70 3k9s h ASN 80 Ca 0.11 -0.22 -0.16 0.00 -0.55 0.00 0.00 56.30 55.48 3k9s h ASN 80 Cb -0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3k9s h ASN 80 CO -0.02 0.59 -0.54 0.45 -1.65 0.00 0.00 177.43 176.26 3k9s h HIS 81 N 0.38 0.70 -0.92 1.19 3.86 -1.13 -1.06 115.15 118.15 3k9s h HIS 81 Ca 0.10 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.10 3k9s h HIS 81 Cb 0.28 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 3k9s h HIS 81 CO 0.01 0.97 0.60 0.77 0.86 0.00 0.00 177.93 181.14 3k9s h SER 82 N 0.43 1.00 -0.27 2.45 0.02 -0.99 -1.01 113.55 115.19 3k9s h SER 82 Ca 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3k9s h SER 82 Cb 1.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3k9s h SER 82 CO 0.10 0.69 0.07 0.25 -1.14 0.00 0.00 176.83 176.80 3k9s h LEU 83 N 1.16 0.42 -0.17 5.07 6.46 -1.25 -3.18 115.31 123.81 3k9s h LEU 83 Ca 0.37 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.95 3k9s h LEU 83 Cb -0.00 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 3k9s h LEU 83 CO -0.12 0.54 -0.23 0.15 -0.62 0.00 0.00 178.44 178.16 3k9s h PHE 84 N 0.27 -0.62 -0.59 1.25 3.57 -0.55 0.69 116.94 120.96 3k9s h PHE 84 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3k9s h PHE 84 Cb 0.29 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3k9s h PHE 84 CO 0.01 -0.31 0.39 -1.49 -2.23 0.00 0.00 178.31 174.68 3k9s h TRP 85 N -0.27 0.75 0.00 0.41 -0.00 -1.23 -0.48 115.95 115.12 3k9s h TRP 85 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 3k9s h TRP 85 Cb 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.35 3k9s h TRP 85 CO -0.36 0.48 0.00 0.87 -0.00 0.00 0.00 178.44 179.43 3k9s h LYS 86 N 0.80 0.00 -0.31 0.49 1.57 -1.47 -2.91 116.57 114.74 3k9s h LYS 86 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3k9s h LYS 86 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3k9s h LYS 86 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 3k9s n GLY 87 N 0.19 0.56 3.21 3.86 0.00 0.21 -4.78 105.19 108.43 3k9s n GLY 87 Ca 0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3k9s n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k9s s LEU 88 N -1.15 2.02 -0.29 0.99 1.43 -1.08 -0.33 118.68 120.27 3k9s s LEU 88 Ca 0.26 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 3k9s s LEU 88 Cb 0.14 -1.30 0.16 0.00 0.03 0.00 0.00 46.19 45.22 3k9s s LEU 88 CO 0.19 0.17 1.20 -0.75 0.23 0.00 0.00 176.35 177.39 3k9s s LYS 89 N 0.19 0.26 0.59 1.70 2.20 0.64 -4.73 119.74 120.60 3k9s s LYS 89 Ca -0.12 0.35 -0.13 0.00 -0.36 0.00 0.00 55.97 55.71 3k9s s LYS 89 Cb -0.16 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 3k9s s LYS 89 CO 0.06 -0.04 1.02 0.15 -0.36 0.00 0.00 175.35 176.19 3k9s s LYS 90 N 0.45 3.61 0.00 4.03 1.02 -1.26 -4.07 119.74 123.52 3k9s s LYS 90 Ca 0.01 0.88 0.00 0.00 0.02 0.00 0.00 55.97 56.88 3k9s s LYS 90 Cb -0.04 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3k9s s LYS 90 CO -0.12 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 3k9s n GLY 91 N -2.14 0.59 3.92 -3.33 0.00 -1.26 -5.03 105.19 97.93 3k9s n GLY 91 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3k9s n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k9s s THR 92 N -2.28 4.93 -0.07 2.61 -4.23 -1.26 -5.10 115.64 110.24 3k9s s THR 92 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 3k9s s THR 92 Cb 0.00 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 3k9s s THR 92 CO 0.00 -0.74 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.38 3k9s s THR 93 N -2.61 0.81 0.20 3.99 2.01 -1.26 -4.89 115.64 113.89 3k9s s THR 93 Ca 0.45 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 3k9s s THR 93 Cb -0.10 -0.82 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 3k9s s THR 93 CO 0.42 0.30 1.49 -0.22 -0.69 0.00 0.00 174.62 175.92 3k9s s LEU 94 N 1.16 4.38 0.01 4.42 2.96 -1.26 -4.83 118.68 125.52 3k9s s LEU 94 Ca -0.06 2.61 -0.29 0.00 -0.22 0.00 0.00 54.13 56.16 3k9s s LEU 94 Cb -0.14 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.05 3k9s s LEU 94 CO -0.01 -0.75 1.13 0.00 -1.32 0.00 0.00 176.35 175.39 3k9s s GLN 95 N 0.46 0.68 3.99 1.98 -2.07 -1.26 -4.93 119.66 118.51 3k9s s GLN 95 Ca 0.65 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.84 3k9s s GLN 95 Cb -0.42 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.75 3k9s s GLN 95 CO 0.36 -0.31 0.00 0.41 -1.32 0.00 0.00 175.29 174.43 3k9s n GLY 96 N -0.40 0.66 0.05 2.60 0.00 -1.26 -3.41 105.19 103.43 3k9s n GLY 96 Ca -0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3k9s n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k9s h ASP 97 N 8.82 -0.02 -0.34 1.61 3.32 -1.99 -1.58 116.42 126.24 3k9s h ASP 97 Ca 0.00 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.09 3k9s h ASP 97 Cb 0.00 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3k9s h ASP 97 CO 0.00 0.01 -0.03 0.25 -1.72 0.00 0.00 179.24 177.76 3k9s h LEU 98 N -0.05 -0.20 -0.44 1.55 5.85 -1.93 0.22 115.31 120.30 3k9s h LEU 98 Ca -0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3k9s h LEU 98 Cb 0.05 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3k9s h LEU 98 CO 0.00 -0.06 0.17 0.50 -0.34 0.00 0.00 178.44 178.71 3k9s h LYS 99 N 0.06 0.33 -0.97 1.25 3.64 -1.53 0.20 116.57 119.55 3k9s h LYS 99 Ca 0.17 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3k9s h LYS 99 Cb 0.24 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 3k9s h LYS 99 CO -0.30 0.22 0.63 0.00 -2.27 0.00 0.00 179.45 177.73 3k9s h ALA 100 N 1.28 1.32 -0.36 5.00 0.00 -0.38 -0.71 119.26 125.42 3k9s h ALA 100 Ca 0.20 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3k9s h ALA 100 Cb 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3k9s h ALA 100 CO -0.20 0.46 -0.41 0.00 0.00 0.00 0.00 179.25 179.10 3k9s h ALA 101 N 1.42 0.54 -0.74 0.00 0.00 0.19 -1.12 119.26 119.55 3k9s h ALA 101 Ca 0.41 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k9s h ALA 101 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3k9s h ALA 101 CO -0.15 0.66 0.31 0.82 0.00 0.00 0.00 179.25 180.89 3k9s h ILE 102 N 0.73 1.25 -0.22 0.00 2.04 -0.08 -1.45 117.51 119.78 3k9s h ILE 102 Ca 0.05 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 3k9s h ILE 102 Cb 1.01 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3k9s h ILE 102 CO 0.10 0.31 -0.24 -0.33 0.00 0.00 0.00 178.15 177.99 3k9s h GLU 103 N 1.05 0.41 -0.34 2.37 5.08 -0.86 -1.80 114.58 120.50 3k9s h GLU 103 Ca 0.25 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3k9s h GLU 103 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3k9s h GLU 103 CO -0.02 0.63 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.48 3k9s h ARG 104 N 0.37 0.62 0.00 2.33 2.43 -0.70 0.15 114.38 119.58 3k9s h ARG 104 Ca 0.06 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3k9s h ARG 104 Cb 0.62 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3k9s h ARG 104 CO 0.04 0.77 -1.07 -0.25 -1.51 0.00 0.00 179.97 177.96 3k9s n ASP 105 N -4.47 0.84 0.00 -3.80 8.00 -0.59 -4.08 116.55 112.44 3k9s n ASP 105 Ca -0.02 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.81 3k9s n ASP 105 Cb 0.30 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3k9s n ASP 105 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3k9s n PHE 106 N -2.70 0.00 0.00 1.24 3.72 -0.69 -4.99 117.46 114.04 3k9s n PHE 106 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3k9s n PHE 106 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 3k9s n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k9s n GLY 107 N 0.07 3.10 3.64 1.37 0.00 0.51 -4.46 105.19 109.41 3k9s n GLY 107 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3k9s n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k9s s SER 108 N -0.85 -0.02 0.23 1.61 1.04 -1.18 -4.83 113.70 109.70 3k9s s SER 108 Ca 0.00 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 3k9s s SER 108 Cb 0.00 0.02 0.20 0.00 0.10 0.00 0.00 66.02 66.34 3k9s s SER 108 CO 0.00 -0.03 1.86 0.58 0.98 0.00 0.00 173.24 176.63 3k9s h VAL 109 N 2.01 1.25 -0.57 5.02 2.07 -1.90 -1.32 116.25 122.81 3k9s h VAL 109 Ca -0.04 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3k9s h VAL 109 Cb 1.14 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3k9s h VAL 109 CO 0.20 0.26 0.02 0.44 0.02 0.00 0.00 177.57 178.51 3k9s h ASP 110 N 1.21 0.93 -0.19 0.57 5.19 -1.96 0.65 116.42 122.83 3k9s h ASP 110 Ca 0.31 -0.24 0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3k9s h ASP 110 Cb -0.02 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 3k9s h ASP 110 CO -0.06 0.98 0.07 0.78 -3.12 0.00 0.00 179.24 177.90 3k9s h ASN 111 N 0.89 0.10 -0.25 6.45 -0.26 -1.73 -0.55 115.58 120.24 3k9s h ASN 111 Ca 0.17 0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3k9s h ASN 111 Cb 0.49 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.72 3k9s h ASN 111 CO 0.02 0.08 0.03 0.15 -1.06 0.00 0.00 177.43 176.65 3k9s h PHE 112 N 0.17 0.04 -0.81 1.19 3.57 -0.69 -2.25 116.94 118.17 3k9s h PHE 112 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3k9s h PHE 112 Cb 0.04 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3k9s h PHE 112 CO -0.11 -0.01 0.53 0.87 -2.23 0.00 0.00 178.31 177.36 3k9s h LYS 113 N 0.11 1.06 -0.60 1.11 1.57 -0.55 -0.68 116.57 118.60 3k9s h LYS 113 Ca 0.11 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3k9s h LYS 113 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3k9s h LYS 113 CO -0.17 0.71 0.15 0.00 -0.57 0.00 0.00 179.45 179.56 3k9s h ALA 114 N 1.29 0.79 -0.42 3.86 0.00 -0.98 -0.36 119.26 123.44 3k9s h ALA 114 Ca 0.29 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3k9s h ALA 114 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3k9s h ALA 114 CO -0.06 0.49 -0.09 1.49 0.00 0.00 0.00 179.25 181.07 3k9s h GLU 115 N 0.86 0.74 -0.27 0.00 4.81 -0.94 -1.08 114.58 118.70 3k9s h GLU 115 Ca 0.19 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3k9s h GLU 115 Cb 0.34 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3k9s h GLU 115 CO 0.00 0.81 -0.31 0.35 -0.73 0.00 0.00 179.01 179.13 3k9s h PHE 116 N 0.68 0.83 -0.75 0.92 3.57 -0.92 -2.10 116.94 119.16 3k9s h PHE 116 Ca 0.12 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3k9s h PHE 116 Cb 0.55 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3k9s h PHE 116 CO 0.03 1.01 0.48 0.93 -2.23 0.00 0.00 178.31 178.52 3k9s h GLU 117 N 0.42 1.00 -0.62 1.11 5.08 -0.90 -0.19 114.58 120.47 3k9s h GLU 117 Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3k9s h GLU 117 Cb 0.89 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3k9s h GLU 117 CO 0.07 0.69 0.14 0.87 -1.00 0.00 0.00 179.01 179.78 3k9s h LYS 118 N 1.02 1.00 -0.38 2.33 1.57 -1.10 -0.65 116.57 120.37 3k9s h LYS 118 Ca 0.27 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3k9s h LYS 118 Cb -0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3k9s h LYS 118 CO -0.06 0.92 -0.37 0.00 -0.57 0.00 0.00 179.45 179.37 3k9s h ALA 119 N 1.04 0.56 -0.72 3.86 0.00 -1.05 -0.99 119.26 121.97 3k9s h ALA 119 Ca 0.19 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3k9s h ALA 119 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3k9s h ALA 119 CO 0.00 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.21 3k9s h ALA 120 N 0.77 0.93 -0.14 0.00 0.00 -0.90 -2.75 119.26 117.17 3k9s h ALA 120 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3k9s h ALA 120 Cb 0.97 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3k9s h ALA 120 CO 0.09 0.53 -0.57 0.00 0.00 0.00 0.00 179.25 179.31 3k9s h ALA 121 N 1.15 0.74 -0.00 0.00 0.00 -1.00 -3.27 119.26 116.88 3k9s h ALA 121 Ca 0.24 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k9s h ALA 121 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k9s h ALA 121 CO -0.02 0.70 -0.10 0.43 0.00 0.00 0.00 179.25 180.26 3k9s n SER 122 N -3.93 0.14 -4.58 0.00 7.64 -0.39 -4.73 113.62 107.78 3k9s n SER 122 Ca -0.03 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.57 3k9s n SER 122 Cb 0.61 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3k9s n SER 122 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k9s s ARG 123 N -2.86 3.08 -0.23 1.43 6.06 -1.05 -4.94 118.95 120.44 3k9s s ARG 123 Ca 0.18 0.95 -0.24 0.00 -2.50 0.00 0.00 55.73 54.13 3k9s s ARG 123 Cb 0.19 -4.25 -0.01 0.00 0.06 0.00 0.00 34.95 30.94 3k9s s ARG 123 CO 0.54 -2.18 0.79 0.12 -2.50 0.00 0.00 175.30 172.06 3k9s s PHE 124 N 7.52 3.33 0.00 5.12 5.36 -1.26 -4.78 117.98 133.26 3k9s s PHE 124 Ca 0.70 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 3k9s s PHE 124 Cb -0.16 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.52 3k9s s PHE 124 CO 0.28 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 3k9s n GLY 125 N 3.78 -0.15 3.85 13.12 0.00 -1.26 -4.93 105.19 119.58 3k9s n GLY 125 Ca 0.04 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3k9s n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k9s s SER 126 N -4.00 6.80 0.00 1.61 0.01 -1.26 -4.82 113.70 112.04 3k9s s SER 126 Ca 0.00 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.41 3k9s s SER 126 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3k9s s SER 126 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 3k9s n GLY 127 N 0.21 -0.52 3.03 3.44 0.00 -1.26 -0.92 105.19 109.17 3k9s n GLY 127 Ca -0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3k9s n GLY 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k9s s TRP 128 N -3.00 0.54 0.02 1.61 0.52 -0.65 -0.68 118.94 117.30 3k9s s TRP 128 Ca 0.00 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.72 3k9s s TRP 128 Cb 0.00 -0.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.95 3k9s s TRP 128 CO 0.00 -0.10 -0.10 0.00 0.02 0.00 0.00 176.95 176.77 3k9s s ALA 129 N -1.23 2.88 0.03 0.98 0.00 -0.61 -1.43 121.76 122.38 3k9s s ALA 129 Ca -0.10 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3k9s s ALA 129 Cb -0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 3k9s s ALA 129 CO 0.00 0.60 -0.08 -1.58 0.00 0.00 0.00 175.76 174.70 3k9s s TRP 130 N -0.99 0.69 -0.30 0.00 0.52 0.26 -0.86 118.94 118.27 3k9s s TRP 130 Ca 0.17 -0.36 -0.11 0.00 0.02 0.00 0.00 56.10 55.81 3k9s s TRP 130 Cb -0.11 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 3k9s s TRP 130 CO 0.07 -0.04 0.20 -1.17 0.02 0.00 0.00 176.95 176.03 3k9s s LEU 131 N -1.10 4.14 0.26 2.99 2.96 -0.73 -2.08 118.68 125.12 3k9s s LEU 131 Ca -0.05 -0.13 0.11 0.00 -0.22 0.00 0.00 54.13 53.84 3k9s s LEU 131 Cb -0.07 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3k9s s LEU 131 CO 0.00 -0.10 -0.13 0.68 -1.32 0.00 0.00 176.35 175.49 3k9s s VAL 132 N 1.74 2.85 -0.34 1.68 -7.23 0.28 0.51 120.40 119.90 3k9s s VAL 132 Ca 0.07 -2.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.00 3k9s s VAL 132 Cb -0.16 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.32 3k9s s VAL 132 CO 0.11 -0.35 0.14 -0.22 -0.31 0.00 0.00 175.10 174.47 3k9s s LEU 133 N -3.44 4.39 -0.52 1.32 2.96 -0.27 -0.72 118.68 122.40 3k9s s LEU 133 Ca 0.29 -1.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 3k9s s LEU 133 Cb -0.06 -1.92 0.13 0.00 0.50 0.00 0.00 46.19 44.84 3k9s s LEU 133 CO 0.16 -0.33 0.40 -0.54 -1.32 0.00 0.00 176.35 174.72 3k9s s LYS 134 N 1.47 2.59 6.98 1.98 1.02 0.16 -1.78 119.74 132.15 3k9s s LYS 134 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.08 3k9s s LYS 134 Cb -0.19 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.16 3k9s s LYS 134 CO 0.04 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 3k9s n GLY 135 N 4.68 2.28 0.79 -3.33 0.00 -1.26 -1.98 105.19 106.38 3k9s n GLY 135 Ca -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3k9s n GLY 135 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k9s n ASP 136 N 9.90 3.19 -4.21 1.61 3.85 -1.26 -4.98 116.55 124.65 3k9s n ASP 136 Ca 0.00 -2.08 -0.31 0.00 -0.71 0.00 0.00 54.79 51.69 3k9s n ASP 136 Cb 0.00 -0.30 -0.17 0.00 -1.35 0.00 0.00 41.12 39.30 3k9s n ASP 136 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3k9s s LYS 137 N -1.15 2.65 0.37 0.11 2.20 -0.84 -5.11 119.74 117.98 3k9s s LYS 137 Ca 0.29 -0.83 -0.24 0.00 -0.36 0.00 0.00 55.97 54.83 3k9s s LYS 137 Cb 0.16 -2.11 -0.10 0.00 -1.51 0.00 0.00 37.83 34.27 3k9s s LYS 137 CO 0.18 0.24 0.97 -0.51 -0.36 0.00 0.00 175.35 175.87 3k9s s LEU 138 N 0.16 4.20 0.09 5.43 1.43 -1.26 -0.67 118.68 128.06 3k9s s LEU 138 Ca -0.12 1.84 -0.09 0.00 -1.03 0.00 0.00 54.13 54.73 3k9s s LEU 138 Cb -0.16 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 41.87 3k9s s LEU 138 CO 0.06 -0.23 0.20 0.00 0.23 0.00 0.00 176.35 176.61 3k9s s ALA 139 N -1.77 -0.25 -0.18 4.21 0.00 0.11 -4.91 121.76 118.96 3k9s s ALA 139 Ca 0.55 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3k9s s ALA 139 Cb -0.17 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3k9s s ALA 139 CO 0.22 -0.51 0.04 0.08 0.00 0.00 0.00 175.76 175.58 3k9s s VAL 140 N -3.82 4.52 0.19 0.00 1.01 -1.26 -0.55 120.40 120.49 3k9s s VAL 140 Ca 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 3k9s s VAL 140 Cb 0.05 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3k9s s VAL 140 CO -0.11 0.46 0.24 0.68 0.00 0.00 0.00 175.10 176.37 3k9s s VAL 141 N 0.45 0.04 0.03 2.92 -7.23 -0.88 -5.00 120.40 110.73 3k9s s VAL 141 Ca 0.01 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3k9s s VAL 141 Cb -0.13 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 3k9s s VAL 141 CO 0.01 -0.18 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.65 3k9s s SER 142 N -3.05 0.37 0.26 4.85 1.04 -1.26 -0.58 113.70 115.33 3k9s s SER 142 Ca 0.26 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.99 3k9s s SER 142 Cb 0.04 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3k9s s SER 142 CO 0.06 -0.44 0.00 0.42 0.98 0.00 0.00 173.24 174.26 3k9s s THR 143 N -2.63 1.14 0.08 2.02 -4.23 -0.51 -4.78 115.64 106.73 3k9s s THR 143 Ca -0.05 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 3k9s s THR 143 Cb -0.01 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3k9s s THR 143 CO -0.05 -0.25 0.39 0.00 -0.54 0.00 0.00 174.62 174.17 3k9s s ALA 144 N -3.34 3.73 0.00 3.99 0.00 -1.26 -1.64 121.76 123.23 3k9s s ALA 144 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3k9s s ALA 144 Cb 0.06 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.92 3k9s s ALA 144 CO 0.11 0.57 0.00 0.09 0.00 0.00 0.00 175.76 176.52 3k9s n ASN 145 N 0.92 0.00 -1.28 0.00 3.02 -0.09 -0.97 115.26 116.86 3k9s n ASN 145 Ca -0.08 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.54 3k9s n ASN 145 Cb 0.52 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 40.00 3k9s n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k9s n GLN 146 N 14.00 3.57 -1.84 3.52 1.13 -1.26 -4.17 117.38 132.33 3k9s n GLN 146 Ca 0.00 -2.98 -0.37 0.00 -1.94 0.00 0.00 57.00 51.71 3k9s n GLN 146 Cb 0.00 -2.00 0.05 0.00 0.11 0.00 0.00 30.24 28.40 3k9s n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3k9s s ASP 147 N -1.54 4.95 0.07 1.08 1.01 -0.14 -4.12 116.67 117.97 3k9s s ASP 147 Ca 0.47 2.59 0.05 0.00 0.71 0.00 0.00 52.55 56.37 3k9s s ASP 147 Cb 0.37 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 3k9s s ASP 147 CO 0.11 -1.77 -0.14 -0.55 0.21 0.00 0.00 175.17 173.03 3k9s s SER 148 N -1.34 1.71 0.60 0.27 0.15 -1.26 -4.70 113.70 109.12 3k9s s SER 148 Ca 0.78 -0.59 0.31 0.00 0.70 0.00 0.00 55.95 57.15 3k9s s SER 148 Cb -0.36 -0.06 1.80 0.00 -1.71 0.00 0.00 66.02 65.69 3k9s s SER 148 CO 0.40 -0.05 2.17 1.55 1.20 0.00 0.00 173.24 178.51 3k9s h PRO 149 N 4.39 0.00 0.00 5.44 0.13 -1.85 0.22 132.00 140.33 3k9s h PRO 149 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 3k9s h PRO 149 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k9s h PRO 149 CO 0.41 0.00 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.08 3k9s h LEU 150 N 0.00 0.00 -0.17 1.56 3.38 -1.89 -0.77 115.31 117.42 3k9s h LEU 150 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k9s h LEU 150 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k9s h LEU 150 CO -0.00 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.79 3k9s n MET 151 N -3.62 0.10 0.00 1.13 2.81 0.76 -4.34 117.12 113.96 3k9s n MET 151 Ca -0.03 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3k9s n MET 151 Cb 0.12 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 3k9s n MET 151 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k9s n GLY 152 N 0.64 -0.80 0.18 3.03 0.00 -0.29 -4.51 105.19 103.43 3k9s n GLY 152 Ca 0.04 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3k9s n GLY 152 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k9s h GLU 153 N 0.00 0.54 -0.72 1.61 4.39 -1.56 -1.34 114.58 117.51 3k9s h GLU 153 Ca 0.00 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.68 3k9s h GLU 153 Cb 0.00 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.50 3k9s h GLU 153 CO 0.00 0.56 0.36 0.00 -1.16 0.00 0.00 179.01 178.77 3k9s h ALA 154 N 0.96 1.01 0.00 3.43 0.00 -1.86 -0.45 119.26 122.35 3k9s h ALA 154 Ca 0.12 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3k9s h ALA 154 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k9s h ALA 154 CO -0.01 -0.05 -0.66 0.82 0.00 0.00 0.00 179.25 179.36 3k9s h ILE 155 N 0.61 1.23 0.00 0.00 2.04 -1.78 -3.41 117.51 116.19 3k9s h ILE 155 Ca 0.36 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3k9s h ILE 155 Cb 0.39 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3k9s h ILE 155 CO -0.28 0.42 -1.11 -1.54 0.00 0.00 0.00 178.15 175.64 3k9s n SER 156 N -4.53 0.78 0.00 1.72 3.41 -0.51 -4.94 113.62 109.56 3k9s n SER 156 Ca -0.21 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3k9s n SER 156 Cb 0.56 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 3k9s n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k9s n GLY 157 N 1.45 0.76 3.37 5.00 0.00 -0.18 -4.66 105.19 110.93 3k9s n GLY 157 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3k9s n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9s s ALA 158 N -3.20 0.99 0.28 4.61 0.00 -1.26 -4.93 121.76 118.25 3k9s s ALA 158 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 3k9s s ALA 158 Cb 0.00 1.29 0.02 0.00 0.00 0.00 0.00 23.12 24.43 3k9s s ALA 158 CO 0.00 -0.71 0.65 -1.54 0.00 0.00 0.00 175.76 174.17 3k9s s SER 159 N -3.21 -0.17 0.00 0.00 1.04 -1.26 -1.50 113.70 108.60 3k9s s SER 159 Ca 0.34 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3k9s s SER 159 Cb 0.03 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3k9s s SER 159 CO 0.18 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3k9s n GLY 160 N -0.45 2.77 3.53 7.32 0.00 -1.24 -4.87 105.19 112.26 3k9s n GLY 160 Ca -0.04 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 3k9s n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k9s s PHE 161 N -2.29 3.03 0.19 1.61 5.36 -0.73 -3.85 117.98 121.30 3k9s s PHE 161 Ca 0.00 0.09 -0.33 0.00 -0.96 0.00 0.00 56.93 55.73 3k9s s PHE 161 Cb 0.00 -3.49 -0.13 0.00 -0.34 0.00 0.00 43.02 39.06 3k9s s PHE 161 CO 0.00 -0.91 1.68 -2.30 -1.46 0.00 0.00 175.22 172.22 3k9s n PRO 162 N 6.48 2.55 -0.06 10.12 -0.02 -1.26 -1.12 135.00 151.69 3k9s n PRO 162 Ca 0.00 0.92 -0.21 0.00 -2.02 0.00 0.00 63.50 62.19 3k9s n PRO 162 Cb 0.48 -2.74 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 3k9s n PRO 162 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3k9s n ILE 163 N 3.79 1.64 -3.89 4.25 2.08 0.18 -4.89 119.36 122.53 3k9s n ILE 163 Ca 0.16 -0.51 -0.08 0.00 0.56 0.00 0.00 62.75 62.88 3k9s n ILE 163 Cb 0.33 -1.71 -0.02 0.00 -0.75 0.00 0.00 39.64 37.49 3k9s n ILE 163 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k9s s MET 164 N -2.51 1.85 0.14 0.38 0.23 -1.10 -4.54 119.30 113.75 3k9s s MET 164 Ca -0.29 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 52.96 3k9s s MET 164 Cb 0.08 0.58 0.06 0.00 -1.53 0.00 0.00 34.83 34.02 3k9s s MET 164 CO 0.67 -0.84 0.56 0.20 -2.03 0.00 0.00 175.02 173.58 3k9s s GLY 165 N -2.99 -0.53 -0.11 3.16 0.00 -1.26 -1.77 107.32 103.81 3k9s s GLY 165 Ca 0.16 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3k9s s GLY 165 CO 0.09 0.10 -0.10 -2.27 0.00 0.00 0.00 173.10 170.92 3k9s s LEU 166 N -2.65 1.41 -0.16 0.66 2.96 -0.04 -4.87 118.68 115.98 3k9s s LEU 166 Ca 0.01 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 3k9s s LEU 166 Cb -0.00 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 3k9s s LEU 166 CO -0.11 -0.06 1.31 -0.62 -1.32 0.00 0.00 176.35 175.54 3k9s s ASP 167 N 1.38 6.89 -0.13 3.68 2.15 -1.26 -1.57 116.67 127.80 3k9s s ASP 167 Ca -0.00 1.71 0.16 0.00 0.43 0.00 0.00 52.55 54.84 3k9s s ASP 167 Cb -0.14 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.35 3k9s s ASP 167 CO -0.05 -0.80 1.30 1.33 -0.17 0.00 0.00 175.17 176.77 3k9s n VAL 168 N 5.45 1.94 -1.75 1.11 0.24 0.15 -4.85 118.33 120.62 3k9s n VAL 168 Ca 0.14 -1.82 -0.39 0.00 -2.04 0.00 0.00 64.34 60.22 3k9s n VAL 168 Cb 0.45 -0.11 0.03 0.00 -1.47 0.00 0.00 33.84 32.73 3k9s n VAL 168 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3k9s n TRP 169 N -0.64 2.45 0.15 6.34 7.02 -1.16 -4.42 117.44 127.19 3k9s n TRP 169 Ca 0.17 0.44 0.05 0.00 -1.02 0.00 0.00 57.50 57.15 3k9s n TRP 169 Cb 0.73 -2.41 0.50 0.00 -2.42 0.00 0.00 31.31 27.71 3k9s n TRP 169 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3k9s h GLU 170 N 1.89 0.22 -0.12 -0.99 5.08 -1.94 -0.95 114.58 117.77 3k9s h GLU 170 Ca -0.50 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3k9s h GLU 170 Cb 1.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3k9s h GLU 170 CO 0.59 0.21 0.29 1.12 -1.00 0.00 0.00 179.01 180.22 3k9s h HIS 171 N 0.22 0.00 0.00 4.33 2.07 -1.98 0.28 115.15 120.07 3k9s h HIS 171 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 3k9s h HIS 171 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 3k9s h HIS 171 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 3k9s h ALA 172 N 1.53 0.81 0.00 6.11 0.00 -1.49 -3.38 119.26 122.84 3k9s h ALA 172 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k9s h ALA 172 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k9s h ALA 172 CO -0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 3k9s n TYR 173 N -2.28 0.00 -0.07 0.00 0.18 -0.75 -4.95 117.16 109.29 3k9s n TYR 173 Ca 0.04 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.68 3k9s n TYR 173 Cb 0.45 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.36 3k9s n TYR 173 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 3k9s h TYR 174 N 0.00 0.89 -0.95 -3.48 3.20 -1.16 0.16 116.97 115.64 3k9s h TYR 174 Ca 0.00 -0.31 0.10 0.00 3.14 0.00 0.00 58.73 61.66 3k9s h TYR 174 Cb 0.42 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 3k9s h TYR 174 CO 0.00 1.09 0.59 -0.07 -1.64 0.00 0.00 178.16 178.13 3k9s h LEU 175 N 0.44 0.88 0.00 2.82 3.38 -1.86 0.17 115.31 121.14 3k9s h LEU 175 Ca 0.02 0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 3k9s h LEU 175 Cb 1.01 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3k9s h LEU 175 CO 0.09 0.50 -2.32 1.17 0.09 0.00 0.00 178.44 177.98 3k9s n LYS 176 N -4.63 0.68 0.00 1.13 4.81 -1.22 -4.67 118.16 114.27 3k9s n LYS 176 Ca 0.16 0.04 0.04 0.00 -0.87 0.00 0.00 58.31 57.68 3k9s n LYS 176 Cb 0.29 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 3k9s n LYS 176 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3k9s n PHE 177 N -2.84 0.00 0.00 5.64 3.72 0.55 -5.06 117.46 119.46 3k9s n PHE 177 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 3k9s n PHE 177 Cb 1.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.67 3k9s n PHE 177 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k9s n GLN 178 N -1.10 0.00 0.00 -1.08 3.00 0.58 -0.31 117.38 118.46 3k9s n GLN 178 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 3k9s n GLN 178 Cb 0.12 0.00 0.60 0.00 0.00 0.00 0.00 30.24 30.96 3k9s n GLN 178 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3k9s n ASN 179 N 3.45 0.00 -2.94 1.08 6.94 -1.26 -4.45 115.26 118.08 3k9s n ASN 179 Ca 0.00 -0.08 -0.31 0.00 -0.02 0.00 0.00 54.58 54.17 3k9s n ASN 179 Cb 0.00 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.08 3k9s n ASN 179 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3k9s n ARG 180 N -1.28 3.34 -0.29 -3.83 1.74 0.57 -4.71 116.66 112.21 3k9s n ARG 180 Ca 0.11 -2.18 0.09 0.00 -0.77 0.00 0.00 57.85 55.10 3k9s n ARG 180 Cb 0.19 -2.50 0.24 0.00 -1.02 0.00 0.00 32.46 29.37 3k9s n ARG 180 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3k9s h ARG 181 N 4.22 0.46 0.00 5.56 2.43 -1.82 -1.23 114.38 124.00 3k9s h ARG 181 Ca 0.63 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.76 3k9s h ARG 181 Cb 0.63 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3k9s h ARG 181 CO 1.25 0.31 -0.05 -1.35 -1.51 0.00 0.00 179.97 178.61 3k9s h PRO 182 N 0.48 0.00 -0.37 0.20 0.11 -1.98 0.24 132.00 130.69 3k9s h PRO 182 Ca 0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.48 3k9s h PRO 182 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3k9s h PRO 182 CO -0.44 0.05 -0.22 -0.44 -0.21 0.00 0.00 178.00 176.74 3k9s h ASP 183 N 0.00 0.73 -0.39 -2.05 3.32 -1.62 -1.65 116.42 114.75 3k9s h ASP 183 Ca -0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.64 3k9s h ASP 183 Cb 0.10 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3k9s h ASP 183 CO 0.01 0.94 -0.36 0.22 -1.72 0.00 0.00 179.24 178.32 3k9s h TYR 184 N 0.63 1.13 -0.62 4.55 3.20 -0.93 -2.19 116.97 122.74 3k9s h TYR 184 Ca 0.09 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 3k9s h TYR 184 Cb 0.71 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3k9s h TYR 184 CO 0.03 1.16 0.35 0.82 -1.64 0.00 0.00 178.16 178.88 3k9s h ILE 185 N 0.78 1.19 -0.58 1.81 2.04 -0.87 -1.73 117.51 120.15 3k9s h ILE 185 Ca 0.07 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3k9s h ILE 185 Cb 0.95 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3k9s h ILE 185 CO 0.09 0.20 0.21 0.11 0.00 0.00 0.00 178.15 178.77 3k9s h LYS 186 N 0.84 0.86 -0.16 2.37 1.79 -1.13 -2.52 116.57 118.62 3k9s h LYS 186 Ca 0.22 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3k9s h LYS 186 Cb 0.02 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3k9s h LYS 186 CO -0.04 0.72 -0.17 0.93 -1.08 0.00 0.00 179.45 179.81 3k9s h GLU 187 N 0.84 0.27 -0.86 3.15 4.39 -0.92 -2.40 114.58 119.06 3k9s h GLU 187 Ca 0.20 -0.07 0.20 0.00 0.34 0.00 0.00 59.36 60.02 3k9s h GLU 187 Cb 0.20 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 3k9s h GLU 187 CO -0.01 0.44 0.58 0.35 -1.16 0.00 0.00 179.01 179.21 3k9s h PHE 188 N 0.25 0.44 0.00 4.33 3.57 -0.86 0.55 116.94 125.23 3k9s h PHE 188 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3k9s h PHE 188 Cb 0.46 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3k9s h PHE 188 CO 0.01 0.13 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.60 3k9s h TRP 189 N 0.34 0.00 0.00 0.41 -0.00 -1.49 0.18 115.95 115.39 3k9s h TRP 189 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.33 3k9s h TRP 189 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 3k9s h TRP 189 CO -0.00 0.12 0.00 -0.91 -0.00 0.00 0.00 178.44 177.65 3k9s h ASN 190 N 0.00 0.00 0.00 -3.49 2.35 -1.03 -3.34 115.58 110.06 3k9s h ASN 190 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k9s h ASN 190 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3k9s h ASN 190 CO 0.02 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.13 3k9s n VAL 191 N -2.79 0.00 -1.86 2.81 0.24 -0.23 -4.54 118.33 111.96 3k9s n VAL 191 Ca 0.04 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 3k9s n VAL 191 Cb 0.44 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 3k9s n VAL 191 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k9s s VAL 192 N -0.63 3.13 -0.64 3.34 0.11 0.46 -0.26 120.40 125.91 3k9s s VAL 192 Ca 0.00 0.38 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 3k9s s VAL 192 Cb 0.00 -3.24 -0.00 0.00 -1.53 0.00 0.00 36.38 31.61 3k9s s VAL 192 CO 0.00 -0.02 1.63 0.21 -3.33 0.00 0.00 175.10 173.60 3k9s s ASN 193 N 3.25 5.64 0.46 3.54 3.84 0.55 -4.63 114.94 127.60 3k9s s ASN 193 Ca 0.78 0.10 0.26 0.00 0.21 0.00 0.00 52.86 54.21 3k9s s ASN 193 Cb -0.39 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.63 3k9s s ASN 193 CO 0.34 -2.14 1.79 -0.50 -2.79 0.00 0.00 177.10 173.81 3k9s h TRP 194 N 13.00 0.00 -0.15 0.43 4.06 -1.87 -1.89 115.95 129.53 3k9s h TRP 194 Ca -0.27 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.64 3k9s h TRP 194 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3k9s h TRP 194 CO 1.07 0.13 -0.08 -0.44 -3.56 0.00 0.00 178.44 175.56 3k9s h ASP 195 N 0.00 0.33 -0.14 -3.49 3.32 -1.88 0.28 116.42 114.84 3k9s h ASP 195 Ca -0.00 -0.42 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 3k9s h ASP 195 Cb 0.79 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3k9s h ASP 195 CO 0.02 0.67 -0.68 -0.08 -1.72 0.00 0.00 179.24 177.45 3k9s h GLU 196 N -0.02 0.76 -0.99 3.56 4.57 -1.85 -1.37 114.58 119.24 3k9s h GLU 196 Ca 0.03 -0.56 0.04 0.00 -1.18 0.00 0.00 59.36 57.69 3k9s h GLU 196 Cb 0.55 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 3k9s h GLU 196 CO 0.02 1.18 0.65 0.00 -1.18 0.00 0.00 179.01 179.69 3k9s h ALA 197 N 0.67 1.35 -0.67 2.92 0.00 -1.22 -1.06 119.26 121.26 3k9s h ALA 197 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3k9s h ALA 197 Cb 1.29 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3k9s h ALA 197 CO 0.14 0.55 0.13 0.00 0.00 0.00 0.00 179.25 180.07 3k9s h ALA 198 N 1.42 0.97 -0.21 0.00 0.00 -0.17 -0.77 119.26 120.51 3k9s h ALA 198 Ca 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k9s h ALA 198 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3k9s h ALA 198 CO -0.12 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.83 3k9s h ALA 199 N 1.12 0.27 -0.63 0.00 0.00 -0.72 -1.82 119.26 117.48 3k9s h ALA 199 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3k9s h ALA 199 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3k9s h ALA 199 CO 0.01 -0.08 0.35 0.00 0.00 0.00 0.00 179.25 179.52 3k9s h ARG 200 N 0.15 0.88 0.00 0.00 3.08 -1.09 -1.99 114.38 115.42 3k9s h ARG 200 Ca 0.07 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3k9s h ARG 200 Cb 0.27 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3k9s h ARG 200 CO 0.00 0.67 -0.13 0.35 -1.07 0.00 0.00 179.97 179.79 3k9s h PHE 201 N 0.86 0.00 0.01 3.04 3.57 -0.95 0.17 116.94 123.64 3k9s h PHE 201 Ca 0.22 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 3k9s h PHE 201 Cb 0.05 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.79 3k9s h PHE 201 CO -0.01 0.13 -0.33 0.00 -2.23 0.00 0.00 178.31 175.88 3k9s h ALA 202 N 1.87 0.03 0.02 2.41 0.00 -0.86 -3.34 119.26 119.39 3k9s h ALA 202 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k9s h ALA 202 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3k9s h ALA 202 CO 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 3k9s h ALA 203 N 0.24 -0.02 -0.23 0.00 0.00 -1.21 -3.47 119.26 114.57 3k9s h ALA 203 Ca -0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3k9s h ALA 203 Cb 1.09 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3k9s h ALA 203 CO 0.06 -0.37 -0.09 1.63 0.00 0.00 0.00 179.25 180.49 3k9s n LYS 204 N -4.96 -0.89 0.00 0.00 5.02 0.03 -5.12 118.16 112.25 3k9s n LYS 204 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3k9s n LYS 204 Cb 0.17 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 3k9s n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51