#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9s s ASP 2 N 0.00 6.88 0.24 6.12 2.15 -1.26 -4.89 116.67 125.90 2k9s s ASP 2 Ca 0.00 1.79 -0.05 0.00 0.43 0.00 0.00 52.55 54.72 2k9s s ASP 2 Cb 0.00 -2.55 0.40 0.00 -0.30 0.00 0.00 42.92 40.46 2k9s s ASP 2 CO 0.00 -0.40 1.77 0.78 -0.17 0.00 0.00 175.17 177.15 2k9s h ASN 3 N 2.12 0.46 -0.93 -0.34 2.35 -2.05 0.47 115.58 117.66 2k9s h ASN 3 Ca -0.49 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2k9s h ASN 3 Cb 1.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 2k9s h ASN 3 CO 0.61 0.24 0.55 0.03 -1.65 0.00 0.00 177.43 177.21 2k9s h ARG 4 N 0.59 1.27 -0.37 0.81 -0.00 -1.98 -0.80 114.38 113.90 2k9s h ARG 4 Ca 0.39 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.98 59.60 2k9s h ARG 4 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 2k9s h ARG 4 CO -0.31 0.90 -0.32 0.28 0.00 0.00 0.00 179.97 180.52 2k9s h VAL 5 N 1.28 1.28 -0.25 2.04 2.07 -1.54 -3.00 116.25 118.13 2k9s h VAL 5 Ca 0.33 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 2k9s h VAL 5 Cb -0.03 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2k9s h VAL 5 CO -0.06 0.49 -0.26 -0.09 0.02 0.00 0.00 177.57 177.67 2k9s h ARG 6 N 0.70 0.49 -0.69 1.57 9.65 -0.54 -2.88 114.38 122.69 2k9s h ARG 6 Ca 0.07 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 2k9s h ARG 6 Cb 0.87 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.39 2k9s h ARG 6 CO 0.08 0.72 0.33 0.93 2.80 0.00 0.00 179.97 184.82 2k9s h GLU 7 N 0.43 0.99 -0.64 0.20 4.39 -1.02 -2.29 114.58 116.64 2k9s h GLU 7 Ca 0.06 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2k9s h GLU 7 Cb 0.69 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2k9s h GLU 7 CO 0.05 0.77 0.42 0.00 -1.16 0.00 0.00 179.01 179.09 2k9s h ALA 8 N 1.38 1.66 -0.44 3.43 0.00 -1.40 -1.34 119.26 122.55 2k9s h ALA 8 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k9s h ALA 8 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k9s h ALA 8 CO -0.03 0.27 0.29 0.00 0.00 0.00 0.00 179.25 179.78 2k9s h GLN 10 N 0.57 0.70 -0.06 0.00 5.75 -1.27 0.20 115.11 120.98 2k9s h GLN 10 Ca 0.17 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2k9s h GLN 10 Cb -0.02 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.42 2k9s h GLN 10 CO -0.04 0.63 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.80 2k9s h TYR 11 N 0.61 0.17 -0.74 3.99 3.20 -1.38 -2.89 116.97 119.93 2k9s h TYR 11 Ca 0.16 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2k9s h TYR 11 Cb 0.19 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2k9s h TYR 11 CO 0.00 0.58 0.43 0.82 -1.64 0.00 0.00 178.16 178.35 2k9s h ILE 12 N -0.28 1.22 -0.83 1.81 2.04 -1.16 -2.35 117.51 117.97 2k9s h ILE 12 Ca 0.01 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2k9s h ILE 12 Cb 0.54 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2k9s h ILE 12 CO 0.01 0.24 0.54 0.77 0.00 0.00 0.00 178.15 179.71 2k9s h SER 13 N 1.02 0.79 0.47 1.72 4.64 -0.62 0.44 113.55 122.01 2k9s h SER 13 Ca 0.26 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2k9s h SER 13 Cb 0.00 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2k9s h SER 13 CO -0.05 0.50 -0.26 -0.78 -0.87 0.00 0.00 176.83 175.38 2k9s h ASP 14 N 0.89 0.00 -0.50 4.97 3.58 -1.20 -2.28 116.42 121.88 2k9s h ASP 14 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2k9s h ASP 14 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k9s h ASP 14 CO -0.13 0.26 0.00 1.41 -2.88 0.00 0.00 179.24 177.90 2k9s n HIS 15 N -3.80 1.54 0.14 0.28 8.25 0.02 -4.52 115.22 117.12 2k9s n HIS 15 Ca -0.01 -0.72 0.16 0.00 -0.26 0.00 0.00 57.72 56.89 2k9s n HIS 15 Cb 0.35 -0.36 0.74 0.00 1.12 0.00 0.00 29.99 31.85 2k9s n HIS 15 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k9s h LEU 16 N 3.34 0.00 0.00 2.41 6.46 -0.59 0.23 115.31 127.16 2k9s h LEU 16 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2k9s h LEU 16 Cb 1.63 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.56 2k9s h LEU 16 CO 0.33 0.00 -1.45 0.00 -0.62 0.00 0.00 178.44 176.70 2k9s n ALA 17 N -2.48 2.53 -1.77 1.25 0.00 -1.26 -4.44 120.51 114.33 2k9s n ALA 17 Ca 0.04 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.71 2k9s n ALA 17 Cb 0.38 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.90 2k9s n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9s s ASP 18 N -5.11 5.73 -0.22 0.00 1.11 0.07 -4.72 116.67 113.52 2k9s s ASP 18 Ca -0.04 2.26 -0.18 0.00 0.18 0.00 0.00 52.55 54.77 2k9s s ASP 18 Cb 0.11 -2.59 -0.15 0.00 1.07 0.00 0.00 42.92 41.36 2k9s s ASP 18 CO 0.84 -1.22 -0.02 -0.24 1.18 0.00 0.00 175.17 175.70 2k9s n SER 19 N -1.16 1.89 -4.58 0.27 2.88 -1.26 -4.82 113.62 106.84 2k9s n SER 19 Ca 0.11 0.41 -0.41 0.00 -1.33 0.00 0.00 58.87 57.65 2k9s n SER 19 Cb 0.50 -0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 2k9s n SER 19 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2k9s s ASN 20 N -6.90 5.87 -0.17 -3.46 0.01 -1.26 -4.98 114.94 104.04 2k9s s ASN 20 Ca -0.31 0.64 -0.03 0.00 -0.71 0.00 0.00 52.86 52.45 2k9s s ASN 20 Cb 0.08 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 2k9s s ASN 20 CO 0.52 -1.85 -0.04 0.12 -1.51 0.00 0.00 177.10 174.33 2k9s s PHE 21 N 7.00 2.98 -0.30 2.20 5.36 -1.26 -5.09 117.98 128.87 2k9s s PHE 21 Ca 0.65 -0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.13 2k9s s PHE 21 Cb -0.15 -1.99 0.06 0.00 -0.34 0.00 0.00 43.02 40.60 2k9s s PHE 21 CO 0.27 -0.19 -0.00 0.34 -1.46 0.00 0.00 175.22 174.18 2k9s s ASP 22 N 0.67 4.83 0.58 6.13 2.15 -1.26 -4.97 116.67 124.81 2k9s s ASP 22 Ca -0.02 -1.42 0.28 0.00 0.43 0.00 0.00 52.55 51.81 2k9s s ASP 22 Cb -0.15 -1.69 1.56 0.00 -0.30 0.00 0.00 42.92 42.35 2k9s s ASP 22 CO 0.02 -0.28 2.01 -0.29 -0.17 0.00 0.00 175.17 176.47 2k9s h ILE 23 N 6.53 0.46 -0.54 4.11 6.09 -2.01 -1.08 117.51 131.06 2k9s h ILE 23 Ca -0.19 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.32 2k9s h ILE 23 Cb 1.05 0.75 -0.03 0.00 0.47 0.00 0.00 36.82 39.06 2k9s h ILE 23 CO 0.53 0.00 0.33 0.00 -3.07 0.00 0.00 178.15 175.95 2k9s h ALA 24 N 1.65 0.70 0.00 0.18 0.00 -2.00 -1.64 119.26 118.15 2k9s h ALA 24 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k9s h ALA 24 Cb 0.79 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k9s h ALA 24 CO -0.00 0.06 -0.16 0.77 0.00 0.00 0.00 179.25 179.92 2k9s h SER 25 N 0.67 0.00 0.02 0.00 0.02 -1.62 -1.24 113.55 111.39 2k9s h SER 25 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k9s h SER 25 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k9s h SER 25 CO -0.08 0.16 -0.01 0.58 -1.14 0.00 0.00 176.83 176.34 2k9s h VAL 26 N 0.00 1.22 -0.27 2.27 2.07 -1.31 -2.01 116.25 118.21 2k9s h VAL 26 Ca -0.00 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 2k9s h VAL 26 Cb 0.29 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2k9s h VAL 26 CO 0.02 0.19 -0.27 0.00 0.02 0.00 0.00 177.57 177.53 2k9s h ALA 27 N 0.64 1.03 -0.56 1.67 0.00 -1.23 -2.91 119.26 117.89 2k9s h ALA 27 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2k9s h ALA 27 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k9s h ALA 27 CO 0.00 0.58 0.15 0.37 0.00 0.00 0.00 179.25 180.36 2k9s h GLN 28 N 0.47 0.85 -0.60 0.00 4.15 -1.18 -0.27 115.11 118.54 2k9s h GLN 28 Ca 0.07 -0.17 0.06 0.00 0.77 0.00 0.00 58.65 59.37 2k9s h GLN 28 Cb 0.71 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 2k9s h GLN 28 CO 0.05 0.75 0.40 1.25 -1.93 0.00 0.00 178.83 179.36 2k9s h HIS 29 N 0.82 0.60 -0.53 3.99 2.76 -1.15 0.55 115.15 122.20 2k9s h HIS 29 Ca 0.18 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2k9s h HIS 29 Cb 0.28 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2k9s h HIS 29 CO 0.02 0.33 0.00 1.33 -1.30 0.00 0.00 177.93 178.31 2k9s n VAL 30 N -4.47 1.50 -3.51 5.26 0.24 -0.91 -4.91 118.33 111.53 2k9s n VAL 30 Ca 0.08 -0.95 -0.26 0.00 -2.04 0.00 0.00 64.34 61.17 2k9s n VAL 30 Cb 0.21 0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.62 2k9s n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9s s LEU 32 N -6.75 1.99 0.67 0.00 2.96 -0.16 -5.01 118.68 112.38 2k9s s LEU 32 Ca 0.48 -1.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 2k9s s LEU 32 Cb -0.25 0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.65 2k9s s LEU 32 CO 0.59 -0.67 1.08 -0.94 -1.32 0.00 0.00 176.35 175.08 2k9s s SER 33 N -3.05 5.26 0.21 3.68 1.04 -1.26 -3.52 113.70 116.06 2k9s s SER 33 Ca 0.20 1.81 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 2k9s s SER 33 Cb 0.07 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.83 2k9s s SER 33 CO -0.00 -1.52 1.56 1.55 0.98 0.00 0.00 173.24 175.81 2k9s h PRO 34 N -0.28 0.62 -0.20 4.02 0.13 -1.89 -1.50 132.00 132.90 2k9s h PRO 34 Ca -0.45 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.32 2k9s h PRO 34 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2k9s h PRO 34 CO 0.55 0.93 0.02 0.66 -0.23 0.00 0.00 178.00 179.93 2k9s h SER 35 N 0.51 0.33 -0.27 1.44 4.64 -1.98 0.25 113.55 118.48 2k9s h SER 35 Ca 0.04 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 2k9s h SER 35 Cb 0.94 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2k9s h SER 35 CO 0.08 0.54 -0.08 0.03 -0.87 0.00 0.00 176.83 176.53 2k9s h ARG 36 N 0.12 0.53 -0.33 4.77 2.47 -1.95 -1.89 114.38 118.09 2k9s h ARG 36 Ca 0.06 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 2k9s h ARG 36 Cb 0.36 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2k9s h ARG 36 CO 0.01 0.75 0.06 1.25 0.56 0.00 0.00 179.97 182.60 2k9s h LEU 37 N 0.27 0.52 -1.12 3.04 5.85 -1.26 -2.75 115.31 119.88 2k9s h LEU 37 Ca 0.07 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k9s h LEU 37 Cb 0.56 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2k9s h LEU 37 CO 0.03 0.64 0.57 0.28 -0.34 0.00 0.00 178.44 179.63 2k9s h SER 38 N 0.38 1.02 -0.09 1.25 0.02 -0.49 0.27 113.55 115.92 2k9s h SER 38 Ca 0.10 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2k9s h SER 38 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2k9s h SER 38 CO 0.01 0.75 0.03 -0.74 -1.14 0.00 0.00 176.83 175.73 2k9s h HIS 39 N 1.20 0.05 -0.03 3.45 -0.00 -1.14 -1.60 115.15 117.08 2k9s h HIS 39 Ca 0.32 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.55 2k9s h HIS 39 Cb -0.12 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 2k9s h HIS 39 CO 0.00 0.03 -0.65 -0.07 -0.00 0.00 0.00 177.93 177.24 2k9s h LEU 40 N 0.07 0.14 0.05 0.26 3.38 -1.19 -2.89 115.31 115.14 2k9s h LEU 40 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k9s h LEU 40 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k9s h LEU 40 CO -0.04 0.75 -0.04 0.15 0.09 0.00 0.00 178.44 179.35 2k9s h PHE 41 N 0.08 -0.10 0.00 1.13 3.04 -0.11 0.37 116.94 121.36 2k9s h PHE 41 Ca -0.01 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 2k9s h PHE 41 Cb 1.16 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 2k9s h PHE 41 CO 0.01 -0.06 -0.23 -0.09 -2.02 0.00 0.00 178.31 175.92 2k9s h ARG 42 N -0.09 0.00 0.14 1.11 2.43 -1.33 0.42 114.38 117.06 2k9s h ARG 42 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 2k9s h ARG 42 Cb 0.08 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2k9s h ARG 42 CO -0.00 0.23 -1.27 0.37 -1.51 0.00 0.00 179.97 177.78 2k9s h GLN 43 N 0.00 0.49 0.22 0.20 5.75 -1.18 0.47 115.11 121.07 2k9s h GLN 43 Ca -0.00 -0.72 -0.33 0.00 -0.15 0.00 0.00 58.65 57.45 2k9s h GLN 43 Cb 0.54 0.25 0.03 0.00 1.07 0.00 0.00 27.48 29.37 2k9s h GLN 43 CO 0.03 1.32 -1.50 1.96 -2.65 0.00 0.00 178.83 177.99 2k9s h GLN 44 N 0.19 0.47 0.00 1.69 1.08 -0.03 -3.32 115.11 115.18 2k9s h GLN 44 Ca -0.18 -0.81 0.00 0.00 -1.45 0.00 0.00 58.65 56.21 2k9s h GLN 44 Cb 1.96 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 29.69 2k9s h GLN 44 CO 0.23 1.39 -0.70 -0.07 -0.95 0.00 0.00 178.83 178.73 2k9s h LEU 45 N 0.07 0.00 0.01 1.46 4.07 -0.30 -3.43 115.31 117.20 2k9s h LEU 45 Ca -0.28 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 57.45 2k9s h LEU 45 Cb 2.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.83 2k9s h LEU 45 CO 0.23 0.11 -0.00 0.61 -1.08 0.00 0.00 178.44 178.31 2k9s n GLY 46 N 1.34 0.17 3.47 0.83 0.00 0.16 -4.93 105.19 106.23 2k9s n GLY 46 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2k9s n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k9s s ILE 47 N -1.32 0.00 0.45 -0.61 -4.36 -1.13 -4.96 121.20 109.27 2k9s s ILE 47 Ca 0.00 -1.59 -0.21 0.00 -0.26 0.00 0.00 60.65 58.59 2k9s s ILE 47 Cb 0.00 -2.31 -0.10 0.00 1.25 0.00 0.00 42.46 41.30 2k9s s ILE 47 CO 0.00 0.00 1.00 -0.55 0.24 0.00 0.00 174.94 175.63 2k9s s SER 48 N -3.07 6.66 0.20 4.36 0.15 -1.26 -3.87 113.70 116.87 2k9s s SER 48 Ca 0.28 1.83 -0.10 0.00 0.70 0.00 0.00 55.95 58.66 2k9s s SER 48 Cb 0.02 -2.55 0.26 0.00 -1.71 0.00 0.00 66.02 62.03 2k9s s SER 48 CO 0.10 -0.56 1.76 0.58 1.20 0.00 0.00 173.24 176.32 2k9s h VAL 49 N 1.78 0.82 -0.01 4.45 2.07 -1.94 0.20 116.25 123.62 2k9s h VAL 49 Ca -0.49 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2k9s h VAL 49 Cb 1.20 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2k9s h VAL 49 CO 0.60 0.08 -0.11 -0.07 0.02 0.00 0.00 177.57 178.10 2k9s h LEU 50 N 0.45 0.02 -0.06 2.57 4.07 -2.00 -2.10 115.31 118.25 2k9s h LEU 50 Ca 0.30 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.18 2k9s h LEU 50 Cb 0.33 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2k9s h LEU 50 CO -0.27 0.13 -0.23 0.28 -1.08 0.00 0.00 178.44 177.26 2k9s h SER 51 N 0.02 0.31 -0.97 -0.43 0.02 -1.39 -3.04 113.55 108.08 2k9s h SER 51 Ca 0.00 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.35 2k9s h SER 51 Cb 0.20 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 2k9s h SER 51 CO 0.01 0.89 0.63 -0.25 -1.14 0.00 0.00 176.83 176.98 2k9s h TRP 52 N -0.24 1.19 -0.34 3.45 7.01 -0.89 -0.72 115.95 125.41 2k9s h TRP 52 Ca -0.01 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.04 2k9s h TRP 52 Cb 0.87 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 2k9s h TRP 52 CO 0.13 0.71 0.16 -0.09 -2.79 0.00 0.00 178.44 176.56 2k9s h ARG 53 N 1.25 0.33 -0.36 2.65 1.12 -1.42 0.24 114.38 118.19 2k9s h ARG 53 Ca 0.37 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 59.17 2k9s h ARG 53 Cb -0.06 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 2k9s h ARG 53 CO -0.11 0.22 0.00 1.49 -3.11 0.00 0.00 179.97 178.47 2k9s h GLU 54 N 0.34 0.64 -0.63 0.20 4.81 -1.33 -1.80 114.58 116.81 2k9s h GLU 54 Ca 0.14 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2k9s h GLU 54 Cb 0.06 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2k9s h GLU 54 CO -0.11 0.75 0.23 0.22 -0.73 0.00 0.00 179.01 179.37 2k9s h ASP 55 N 0.46 0.85 -0.26 1.04 3.58 -0.83 -2.52 116.42 118.74 2k9s h ASP 55 Ca 0.10 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 2k9s h ASP 55 Cb 0.45 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2k9s h ASP 55 CO 0.02 0.78 -0.28 1.56 -2.88 0.00 0.00 179.24 178.44 2k9s h GLN 56 N 0.91 0.75 -0.69 0.28 1.08 -0.36 -1.92 115.11 115.17 2k9s h GLN 56 Ca 0.21 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2k9s h GLN 56 Cb 0.20 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 2k9s h GLN 56 CO -0.02 0.94 0.39 0.00 -0.95 0.00 0.00 178.83 179.19 2k9s h ARG 57 N 0.65 0.95 -0.19 1.46 3.08 -0.92 0.24 114.38 119.65 2k9s h ARG 57 Ca 0.08 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2k9s h ARG 57 Cb 0.79 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2k9s h ARG 57 CO 0.07 0.71 -0.16 0.82 -1.07 0.00 0.00 179.97 180.33 2k9s h ILE 58 N 0.94 1.33 -0.07 2.04 1.08 -1.37 -2.38 117.51 119.09 2k9s h ILE 58 Ca 0.24 -1.30 -0.07 0.00 -0.39 0.00 0.00 64.86 63.34 2k9s h ILE 58 Cb 0.02 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2k9s h ILE 58 CO -0.04 0.39 -0.28 -1.28 -0.69 0.00 0.00 178.15 176.25 2k9s h SER 59 N 0.11 0.12 -0.27 1.72 0.87 -1.18 -2.71 113.55 112.21 2k9s h SER 59 Ca 0.03 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2k9s h SER 59 Cb 0.69 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2k9s h SER 59 CO 0.04 0.40 -0.19 -0.61 -0.53 0.00 0.00 176.83 175.95 2k9s h GLN 60 N 0.11 0.61 -0.44 2.24 5.75 -0.44 -0.08 115.11 122.85 2k9s h GLN 60 Ca 0.02 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 2k9s h GLN 60 Cb 0.56 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 2k9s h GLN 60 CO 0.04 0.88 0.29 0.00 -2.65 0.00 0.00 178.83 177.38 2k9s h ALA 61 N 0.72 0.56 -0.09 3.38 0.00 -1.23 0.83 119.26 123.43 2k9s h ALA 61 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2k9s h ALA 61 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k9s h ALA 61 CO 0.05 0.03 -0.56 0.87 0.00 0.00 0.00 179.25 179.64 2k9s h LYS 62 N 0.60 0.28 0.01 0.00 1.57 -1.48 -0.14 116.57 117.40 2k9s h LYS 62 Ca 0.16 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k9s h LYS 62 Cb -0.05 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2k9s h LYS 62 CO -0.03 0.76 -0.00 1.25 -0.57 0.00 0.00 179.45 180.86 2k9s h LEU 63 N 0.21 -0.01 -0.55 2.94 5.85 -0.57 -2.63 115.31 120.56 2k9s h LEU 63 Ca 0.00 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 2k9s h LEU 63 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2k9s h LEU 63 CO 0.09 0.39 -0.41 0.17 -0.34 0.00 0.00 178.44 178.33 2k9s h LEU 64 N -0.40 0.76 -2.11 2.25 8.10 -0.87 -2.88 115.31 120.15 2k9s h LEU 64 Ca -0.00 -0.35 0.01 0.00 0.11 0.00 0.00 57.88 57.65 2k9s h LEU 64 Cb 0.40 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2k9s h LEU 64 CO 0.00 1.08 0.03 -0.07 -4.11 0.00 0.00 178.44 175.36 2k9s h LEU 65 N 0.58 0.00 -0.92 0.17 3.38 -1.02 0.33 115.31 117.83 2k9s h LEU 65 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2k9s h LEU 65 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2k9s h LEU 65 CO 0.09 0.00 -0.38 0.28 0.09 0.00 0.00 178.44 178.52 2k9s h SER 66 N 0.00 0.00 -0.23 -0.43 0.02 -1.24 -3.00 113.55 108.67 2k9s h SER 66 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k9s h SER 66 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2k9s h SER 66 CO -0.00 0.38 0.00 1.07 -1.14 0.00 0.00 176.83 177.13 2k9s n THR 67 N -3.53 0.56 -4.21 -2.27 5.66 -0.08 -5.00 114.28 105.41 2k9s n THR 67 Ca -0.00 -0.78 -0.13 0.00 -3.05 0.00 0.00 64.05 60.09 2k9s n THR 67 Cb 0.51 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 2k9s n THR 67 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2k9s s THR 68 N -1.02 0.98 -0.10 1.09 -4.23 0.98 -5.05 115.64 108.30 2k9s s THR 68 Ca 0.21 -1.94 0.14 0.00 -1.18 0.00 0.00 61.69 58.92 2k9s s THR 68 Cb 0.12 -1.70 0.21 0.00 1.34 0.00 0.00 72.50 72.47 2k9s s THR 68 CO 0.17 -0.75 1.10 -2.11 -0.54 0.00 0.00 174.62 172.49 2k9s n ARG 69 N -0.00 1.36 -1.43 3.99 0.00 -1.26 -4.68 116.66 114.64 2k9s n ARG 69 Ca -0.12 -2.22 -0.32 0.00 -0.00 0.00 0.00 57.85 55.19 2k9s n ARG 69 Cb 0.60 -1.31 0.08 0.00 -0.00 0.00 0.00 32.46 31.83 2k9s n ARG 69 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2k9s s MET 70 N -2.26 2.36 0.90 2.89 -1.94 -1.26 -5.02 119.30 114.96 2k9s s MET 70 Ca 0.24 1.34 -0.12 0.00 -1.71 0.00 0.00 55.69 55.44 2k9s s MET 70 Cb 0.21 -1.90 0.13 0.00 2.01 0.00 0.00 34.83 35.28 2k9s s MET 70 CO 0.02 -1.59 1.09 -1.25 -0.01 0.00 0.00 175.02 173.28 2k9s s PRO 71 N -4.47 1.25 0.49 2.03 0.04 -1.26 -4.76 135.00 128.32 2k9s s PRO 71 Ca 0.65 0.82 0.14 0.00 0.04 0.00 0.00 61.00 62.65 2k9s s PRO 71 Cb -0.20 -1.81 1.16 0.00 0.04 0.00 0.00 34.50 33.70 2k9s s PRO 71 CO 0.49 -2.24 2.12 0.82 0.04 0.00 0.00 177.00 178.23 2k9s h ILE 72 N -1.55 1.03 -0.21 0.56 2.04 -1.98 -1.12 117.51 116.28 2k9s h ILE 72 Ca -0.49 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2k9s h ILE 72 Cb 1.28 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2k9s h ILE 72 CO 0.55 0.03 0.05 0.00 0.00 0.00 0.00 178.15 178.78 2k9s h ALA 73 N 1.93 0.28 0.01 1.87 0.00 -1.93 -0.30 119.26 121.13 2k9s h ALA 73 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k9s h ALA 73 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k9s h ALA 73 CO -0.01 -0.07 -0.01 1.15 0.00 0.00 0.00 179.25 180.32 2k9s h THR 74 N 0.15 1.32 -0.93 0.00 2.02 -1.79 -3.15 112.91 110.53 2k9s h THR 74 Ca 0.07 -1.03 0.07 0.00 0.77 0.00 0.00 66.41 66.29 2k9s h THR 74 Cb 0.28 2.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.64 2k9s h THR 74 CO 0.00 0.27 0.59 0.58 0.37 0.00 0.00 175.52 177.32 2k9s h VAL 75 N -0.47 1.03 -0.49 3.16 2.07 -1.25 -1.23 116.25 119.07 2k9s h VAL 75 Ca -0.00 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2k9s h VAL 75 Cb 0.45 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2k9s h VAL 75 CO 0.00 0.19 0.34 1.23 0.02 0.00 0.00 177.57 179.35 2k9s h GLY 76 N 1.04 0.39 1.79 2.17 0.00 -1.03 -0.61 103.07 106.82 2k9s h GLY 76 Ca 0.42 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.49 2k9s h GLY 76 CO -0.19 0.08 -0.58 -0.09 0.00 0.00 0.00 176.54 175.76 2k9s h ARG 77 N 0.29 0.22 -0.23 4.80 9.65 0.08 0.36 114.38 129.56 2k9s h ARG 77 Ca 0.23 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2k9s h ARG 77 Cb 0.52 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2k9s h ARG 77 CO -0.05 0.73 0.14 -0.91 2.80 0.00 0.00 179.97 182.69 2k9s h ASN 78 N 0.17 0.26 0.08 -3.80 2.35 -0.97 0.24 115.58 113.90 2k9s h ASN 78 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k9s h ASN 78 Cb 1.06 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2k9s h ASN 78 CO 0.09 0.20 -0.08 1.33 -1.65 0.00 0.00 177.43 177.32 2k9s n VAL 79 N -4.49 0.00 -0.46 2.81 0.24 -1.13 -4.73 118.33 110.57 2k9s n VAL 79 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2k9s n VAL 79 Cb 0.08 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 2k9s n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9s n GLY 80 N 1.22 1.21 3.02 7.63 0.00 0.07 -4.77 105.19 113.57 2k9s n GLY 80 Ca 0.17 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2k9s n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k9s s PHE 81 N -2.00 2.40 0.07 1.61 0.08 0.13 -4.97 117.98 115.30 2k9s s PHE 81 Ca 0.00 -1.51 0.05 0.00 0.12 0.00 0.00 56.93 55.60 2k9s s PHE 81 Cb 0.00 -1.66 -0.23 0.00 -0.57 0.00 0.00 43.02 40.56 2k9s s PHE 81 CO 0.00 -0.73 1.09 0.22 -0.10 0.00 0.00 175.22 175.70 2k9s h ASP 82 N 7.99 0.10 -3.31 1.36 3.58 -1.91 -0.98 116.42 123.26 2k9s h ASP 82 Ca -0.32 -0.13 -0.59 0.00 0.42 0.00 0.00 57.03 56.40 2k9s h ASP 82 Cb 1.11 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 42.04 2k9s h ASP 82 CO 0.51 1.11 0.50 -1.81 -2.88 0.00 0.00 179.24 176.66 2k9s s ASP 83 N -6.68 6.81 0.21 2.28 1.01 -1.26 -4.89 116.67 114.15 2k9s s ASP 83 Ca -0.02 0.96 -0.08 0.00 0.71 0.00 0.00 52.55 54.12 2k9s s ASP 83 Cb 0.09 -2.44 0.16 0.00 1.01 0.00 0.00 42.92 41.74 2k9s s ASP 83 CO 0.83 -0.57 1.80 -0.61 0.21 0.00 0.00 175.17 176.83 2k9s h GLN 84 N 7.80 1.16 -0.17 8.23 -0.00 -1.88 -2.39 115.11 127.86 2k9s h GLN 84 Ca -0.23 -0.18 -0.10 0.00 -0.00 0.00 0.00 58.65 58.15 2k9s h GLN 84 Cb 1.09 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.35 2k9s h GLN 84 CO 0.89 0.90 -0.32 -0.07 0.00 0.00 0.00 178.83 180.24 2k9s h LEU 85 N 1.14 0.34 -0.13 -2.39 3.38 -1.96 -1.98 115.31 113.71 2k9s h LEU 85 Ca 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k9s h LEU 85 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k9s h LEU 85 CO -0.03 0.65 0.07 0.22 0.09 0.00 0.00 178.44 179.43 2k9s h TYR 86 N 0.29 0.18 -0.43 1.13 5.03 -1.85 0.24 116.97 121.58 2k9s h TYR 86 Ca 0.04 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 2k9s h TYR 86 Cb 0.71 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 2k9s h TYR 86 CO 0.02 0.22 -0.04 0.35 -1.32 0.00 0.00 178.16 177.38 2k9s h PHE 87 N 0.09 0.87 -0.45 -3.82 3.57 -1.40 -2.29 116.94 113.52 2k9s h PHE 87 Ca 0.04 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 2k9s h PHE 87 Cb 0.10 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2k9s h PHE 87 CO -0.03 0.87 -0.03 0.66 -2.23 0.00 0.00 178.31 177.54 2k9s h SER 88 N 0.61 0.72 0.07 0.41 4.64 -1.23 0.29 113.55 119.07 2k9s h SER 88 Ca 0.12 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2k9s h SER 88 Cb 0.55 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2k9s h SER 88 CO 0.03 0.81 -0.04 0.03 -0.87 0.00 0.00 176.83 176.80 2k9s h ARG 89 N 0.70 -0.09 -0.32 4.77 3.08 -0.36 0.29 114.38 122.43 2k9s h ARG 89 Ca 0.13 0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 2k9s h ARG 89 Cb 0.48 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k9s h ARG 89 CO 0.02 0.13 -0.41 -0.24 -1.07 0.00 0.00 179.97 178.40 2k9s h VAL 90 N -0.31 1.28 -0.40 2.04 3.04 -1.33 -3.08 116.25 117.50 2k9s h VAL 90 Ca -0.01 -1.59 -0.09 0.00 -1.01 0.00 0.00 66.70 64.00 2k9s h VAL 90 Cb 0.27 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 2k9s h VAL 90 CO 0.02 0.52 -0.11 0.15 -1.01 0.00 0.00 177.57 177.14 2k9s h PHE 91 N 0.63 0.76 -0.25 3.17 3.04 -0.40 -0.38 116.94 123.51 2k9s h PHE 91 Ca 0.04 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 61.88 2k9s h PHE 91 Cb 1.01 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 2k9s h PHE 91 CO 0.07 0.78 0.09 -0.22 -2.02 0.00 0.00 178.31 177.01 2k9s h LYS 92 N 0.64 0.20 0.00 1.11 3.64 -0.37 -2.12 116.57 119.66 2k9s h LYS 92 Ca 0.11 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2k9s h LYS 92 Cb 0.56 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k9s h LYS 92 CO 0.03 0.13 -0.46 0.87 -2.27 0.00 0.00 179.45 177.76 2k9s h LYS 93 N 0.20 0.00 -0.11 1.90 1.57 -1.44 0.76 116.57 119.45 2k9s h LYS 93 Ca 0.11 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2k9s h LYS 93 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2k9s h LYS 93 CO -0.12 0.46 -0.03 0.00 -0.57 0.00 0.00 179.45 179.19 2k9s n THR 95 N -5.15 0.00 -0.02 0.00 -2.24 -0.98 -4.98 114.28 100.91 2k9s n THR 95 Ca -0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2k9s n THR 95 Cb 0.08 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2k9s n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k9s n GLY 96 N 1.32 0.63 3.02 3.38 0.00 0.24 -5.04 105.19 108.73 2k9s n GLY 96 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2k9s n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k9s s ALA 97 N -2.23 0.35 0.91 4.61 0.00 0.38 -4.82 121.76 120.96 2k9s s ALA 97 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 2k9s s ALA 97 Cb 0.00 0.08 0.14 0.00 0.00 0.00 0.00 23.12 23.34 2k9s s ALA 97 CO 0.00 -0.08 1.10 -1.54 0.00 0.00 0.00 175.76 175.25 2k9s s SER 98 N -1.42 3.19 0.28 0.00 1.04 -1.26 -4.00 113.70 111.52 2k9s s SER 98 Ca -0.12 1.85 0.07 0.00 0.48 0.00 0.00 55.95 58.22 2k9s s SER 98 Cb -0.09 -2.43 0.42 0.00 0.10 0.00 0.00 66.02 64.01 2k9s s SER 98 CO -0.00 -2.88 1.67 1.55 0.98 0.00 0.00 173.24 174.56 2k9s h PRO 99 N -1.71 0.22 -0.22 4.02 0.13 -1.90 -2.59 132.00 129.95 2k9s h PRO 99 Ca -0.47 -0.11 -0.10 0.00 -0.87 0.00 0.00 66.00 64.45 2k9s h PRO 99 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k9s h PRO 99 CO 0.48 0.64 -0.28 1.03 -0.23 0.00 0.00 178.00 179.64 2k9s h SER 100 N 0.18 0.43 -0.02 1.44 0.87 -1.98 -0.89 113.55 113.58 2k9s h SER 100 Ca 0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 2k9s h SER 100 Cb 0.89 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2k9s h SER 100 CO 0.07 0.70 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.78 2k9s h GLU 101 N 0.38 0.18 -0.42 2.24 4.57 -1.90 -1.64 114.58 117.97 2k9s h GLU 101 Ca 0.05 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2k9s h GLU 101 Cb 0.69 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2k9s h GLU 101 CO 0.05 0.86 0.23 0.35 -1.18 0.00 0.00 179.01 179.32 2k9s h PHE 102 N -0.45 0.58 -0.12 0.92 3.04 -1.43 -2.47 116.94 117.01 2k9s h PHE 102 Ca -0.02 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 2k9s h PHE 102 Cb 0.92 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2k9s h PHE 102 CO 0.16 0.44 -0.35 0.07 -2.02 0.00 0.00 178.31 176.61 2k9s h ARG 103 N 0.55 0.25 -0.55 1.11 0.11 -1.25 -2.85 114.38 111.75 2k9s h ARG 103 Ca 0.15 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 2k9s h ARG 103 Cb 0.06 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 2k9s h ARG 103 CO -0.02 0.57 0.24 0.00 0.10 0.00 0.00 179.97 180.86 2k9s h ALA 104 N 1.42 1.41 0.00 0.08 0.00 -0.85 -3.46 119.26 117.85 2k9s h ALA 104 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k9s h ALA 104 Cb 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k9s h ALA 104 CO 0.06 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2k9s n GLY 105 N -1.14 1.88 3.76 0.00 0.00 -1.00 -5.02 105.19 103.67 2k9s n GLY 105 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32