#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 6.84 0.44 6.12 -1.08 -1.26 -4.97 116.67 122.76 2k9s s ASP 2 Ca 0.00 1.23 0.17 0.00 -0.52 0.00 0.00 52.55 53.43 2k9s s ASP 2 Cb 0.00 -2.35 1.02 0.00 -1.46 0.00 0.00 42.92 40.14 2k9s s ASP 2 CO 0.00 -0.07 1.96 0.78 0.52 0.00 0.00 175.17 178.36 2k9s h ASN 3 N 2.84 0.00 -0.02 -0.34 4.21 -2.04 0.22 115.58 120.45 2k9s h ASN 3 Ca -0.48 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.02 2k9s h ASN 3 Cb 1.18 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2k9s h ASN 3 CO 0.66 0.22 -0.03 0.03 -1.29 0.00 0.00 177.43 177.02 2k9s h ARG 4 N 0.00 0.05 -0.31 0.81 3.08 -1.96 -3.08 114.38 112.97 2k9s h ARG 4 Ca -0.00 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2k9s h ARG 4 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k9s h ARG 4 CO 0.03 0.59 -0.36 -0.39 -1.07 0.00 0.00 179.97 178.77 2k9s h VAL 5 N -0.48 1.29 -0.90 2.04 -1.51 -1.93 -2.99 116.25 111.76 2k9s h VAL 5 Ca 0.00 -1.51 0.14 0.00 -1.23 0.00 0.00 66.70 64.10 2k9s h VAL 5 Cb 0.58 1.43 -0.07 0.00 -2.13 0.00 0.00 31.29 31.10 2k9s h VAL 5 CO 0.01 0.49 0.58 -0.09 -1.23 0.00 0.00 177.57 177.33 2k9s h ARG 6 N 0.59 0.71 -0.07 5.19 2.43 -1.00 0.24 114.38 122.47 2k9s h ARG 6 Ca 0.06 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2k9s h ARG 6 Cb 0.88 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2k9s h ARG 6 CO 0.08 0.47 -0.63 1.49 -1.51 0.00 0.00 179.97 179.86 2k9s h GLU 7 N 0.73 0.25 -0.03 0.20 4.57 -1.43 -2.45 114.58 116.42 2k9s h GLU 7 Ca 0.45 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.39 2k9s h GLU 7 Cb 0.69 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2k9s h GLU 7 CO -0.21 0.80 -0.23 0.00 -1.18 0.00 0.00 179.01 178.19 2k9s h ALA 8 N 1.15 0.07 -0.10 2.92 0.00 -0.86 -3.01 119.26 119.43 2k9s h ALA 8 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k9s h ALA 8 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k9s h ALA 8 CO 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 2k9s h GLN 10 N 0.15 0.55 -0.26 0.00 5.75 -1.45 -2.57 115.11 117.28 2k9s h GLN 10 Ca 0.04 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 2k9s h GLN 10 Cb 0.18 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 2k9s h GLN 10 CO 0.01 0.81 -0.21 -0.92 -2.65 0.00 0.00 178.83 175.86 2k9s h TYR 11 N 0.47 0.71 -0.57 3.99 3.20 -1.23 -3.09 116.97 120.45 2k9s h TYR 11 Ca 0.05 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2k9s h TYR 11 Cb 0.80 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 2k9s h TYR 11 CO 0.03 0.90 0.30 0.82 -1.64 0.00 0.00 178.16 178.57 2k9s h ILE 12 N 0.32 1.18 -0.90 1.81 2.04 -1.39 -2.21 117.51 118.35 2k9s h ILE 12 Ca 0.05 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2k9s h ILE 12 Cb 0.76 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2k9s h ILE 12 CO 0.05 0.20 0.59 -1.28 0.00 0.00 0.00 178.15 177.71 2k9s h SER 13 N 0.79 0.89 0.02 1.72 0.87 -1.37 0.97 113.55 117.43 2k9s h SER 13 Ca 0.20 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2k9s h SER 13 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2k9s h SER 13 CO -0.03 0.56 -0.27 -0.78 -0.53 0.00 0.00 176.83 175.78 2k9s h ASP 14 N 1.00 0.40 -0.59 6.23 3.58 -1.40 -2.53 116.42 123.12 2k9s h ASP 14 Ca 0.39 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2k9s h ASP 14 Cb 0.24 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2k9s h ASP 14 CO -0.15 0.67 0.00 1.41 -2.88 0.00 0.00 179.24 178.29 2k9s n HIS 15 N -4.12 1.80 0.16 0.28 8.25 -0.37 -4.46 115.22 116.76 2k9s n HIS 15 Ca -0.01 -0.65 0.18 0.00 -0.26 0.00 0.00 57.72 56.98 2k9s n HIS 15 Cb 0.40 -0.40 0.79 0.00 1.12 0.00 0.00 29.99 31.90 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 3.91 0.00 0.00 2.41 5.85 -0.41 0.20 115.31 127.27 2k9s h LEU 16 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2k9s h LEU 16 Cb 1.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.76 2k9s h LEU 16 CO 0.38 0.00 -1.17 0.00 -0.34 0.00 0.00 178.44 177.31 2k9s n ALA 17 N -2.37 2.46 -1.78 1.25 0.00 -1.26 -4.74 120.51 114.06 2k9s n ALA 17 Ca 0.04 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 2k9s n ALA 17 Cb 0.43 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 2k9s n ALA 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k9s s ASP 18 N -5.34 6.45 -0.15 0.00 2.15 0.71 -4.79 116.67 115.71 2k9s s ASP 18 Ca -0.02 2.95 -0.23 0.00 0.43 0.00 0.00 52.55 55.68 2k9s s ASP 18 Cb 0.10 -2.66 -0.21 0.00 -0.30 0.00 0.00 42.92 39.85 2k9s s ASP 18 CO 0.81 -0.80 0.56 0.77 -0.17 0.00 0.00 175.17 176.34 2k9s h SER 19 N 3.26 0.00 -3.36 -0.34 4.64 -1.91 -3.43 113.55 112.41 2k9s h SER 19 Ca -0.50 -0.76 -0.60 0.00 -0.47 0.00 0.00 61.79 59.45 2k9s h SER 19 Cb 1.23 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 2k9s h SER 19 CO 0.66 1.00 0.61 0.20 -0.87 0.00 0.00 176.83 178.43 2k9s s ASN 20 N -6.21 6.40 -0.12 4.97 0.02 -1.26 -5.02 114.94 113.72 2k9s s ASN 20 Ca -0.18 -0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 51.51 2k9s s ASN 20 Cb -0.01 -2.45 -0.02 0.00 0.02 0.00 0.00 41.25 38.78 2k9s s ASN 20 CO 0.57 -1.19 -0.09 0.12 0.02 0.00 0.00 177.10 176.53 2k9s s PHE 21 N 3.98 2.90 -0.26 2.20 5.36 -1.26 -5.10 117.98 125.81 2k9s s PHE 21 Ca 0.34 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 55.95 2k9s s PHE 21 Cb -0.11 -1.83 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2k9s s PHE 21 CO 0.22 -0.00 -0.07 0.34 -1.46 0.00 0.00 175.22 174.25 2k9s s ASP 22 N 0.01 4.37 0.46 6.13 -1.08 -1.26 -4.98 116.67 120.32 2k9s s ASP 22 Ca -0.02 -1.01 0.17 0.00 -0.52 0.00 0.00 52.55 51.17 2k9s s ASP 22 Cb -0.14 -1.65 1.08 0.00 -1.46 0.00 0.00 42.92 40.76 2k9s s ASP 22 CO 0.03 -0.15 2.00 -0.29 0.52 0.00 0.00 175.17 177.28 2k9s h ILE 23 N 6.28 1.02 -0.52 4.11 2.10 -2.00 -2.73 117.51 125.75 2k9s h ILE 23 Ca -0.29 -0.65 0.01 0.00 1.08 0.00 0.00 64.86 65.01 2k9s h ILE 23 Cb 1.09 1.36 -0.03 0.00 -1.09 0.00 0.00 36.82 38.15 2k9s h ILE 23 CO 0.55 0.18 0.33 0.00 -1.08 0.00 0.00 178.15 178.14 2k9s h ALA 24 N 1.82 0.67 0.00 0.18 0.00 -2.01 -1.73 119.26 118.18 2k9s h ALA 24 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k9s h ALA 24 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k9s h ALA 24 CO 0.02 0.07 -0.14 0.77 0.00 0.00 0.00 179.25 179.97 2k9s h SER 25 N 0.67 0.00 -0.38 0.00 0.02 -1.92 -2.27 113.55 109.67 2k9s h SER 25 Ca 0.20 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2k9s h SER 25 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k9s h SER 25 CO -0.06 0.14 -0.29 0.58 -1.14 0.00 0.00 176.83 176.06 2k9s h VAL 26 N 0.00 1.27 -0.41 2.27 2.07 -1.32 -2.35 116.25 117.79 2k9s h VAL 26 Ca -0.00 -1.45 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 2k9s h VAL 26 Cb 0.26 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2k9s h VAL 26 CO 0.02 0.49 -0.08 0.00 0.02 0.00 0.00 177.57 178.02 2k9s h ALA 27 N 0.90 0.57 -0.57 1.67 0.00 -0.99 -3.00 119.26 117.84 2k9s h ALA 27 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2k9s h ALA 27 Cb 0.85 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2k9s h ALA 27 CO 0.08 0.43 0.17 0.37 0.00 0.00 0.00 179.25 180.30 2k9s h GLN 28 N 0.61 0.86 -0.59 0.00 4.15 -1.42 0.05 115.11 118.76 2k9s h GLN 28 Ca 0.11 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.42 2k9s h GLN 28 Cb 0.60 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 2k9s h GLN 28 CO 0.04 0.75 0.39 1.25 -1.93 0.00 0.00 178.83 179.33 2k9s h HIS 29 N 0.84 0.60 -0.56 3.99 2.76 -1.28 0.45 115.15 121.94 2k9s h HIS 29 Ca 0.19 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2k9s h HIS 29 Cb 0.25 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2k9s h HIS 29 CO 0.02 0.33 0.00 1.33 -1.30 0.00 0.00 177.93 178.30 2k9s n VAL 30 N -4.47 1.55 -3.72 5.26 0.24 -0.89 -4.92 118.33 111.37 2k9s n VAL 30 Ca 0.08 -1.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.10 2k9s n VAL 30 Cb 0.21 0.07 0.01 0.00 -1.47 0.00 0.00 33.84 32.66 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 -6.98 2.04 0.62 0.00 1.43 -0.05 -5.01 118.68 110.73 2k9s s LEU 32 Ca 0.57 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 2k9s s LEU 32 Cb -0.29 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 2k9s s LEU 32 CO 0.70 -0.68 1.02 -0.44 0.23 0.00 0.00 176.35 177.19 2k9s s SER 33 N -2.97 6.21 0.22 2.29 0.01 -1.26 -3.52 113.70 114.69 2k9s s SER 33 Ca 0.14 1.39 -0.01 0.00 1.31 0.00 0.00 55.95 58.78 2k9s s SER 33 Cb 0.07 -2.45 0.22 0.00 0.21 0.00 0.00 66.02 64.07 2k9s s SER 33 CO -0.05 -0.87 1.59 1.55 0.41 0.00 0.00 173.24 175.87 2k9s h PRO 34 N -0.31 0.53 -0.16 12.44 0.13 -1.91 0.18 132.00 142.90 2k9s h PRO 34 Ca -0.44 -0.28 -0.03 0.00 -0.87 0.00 0.00 66.00 64.38 2k9s h PRO 34 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2k9s h PRO 34 CO 0.62 0.86 -0.02 0.77 -0.23 0.00 0.00 178.00 180.00 2k9s h SER 35 N 0.43 0.30 -0.05 1.44 0.02 -1.99 0.23 113.55 113.94 2k9s h SER 35 Ca 0.03 -0.35 -0.20 0.00 -0.84 0.00 0.00 61.79 60.44 2k9s h SER 35 Cb 0.93 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2k9s h SER 35 CO 0.08 0.58 -0.69 0.03 -1.14 0.00 0.00 176.83 175.68 2k9s h ARG 36 N 0.02 0.68 -0.38 3.45 2.47 -1.96 -3.02 114.38 115.63 2k9s h ARG 36 Ca 0.04 -0.51 -0.15 0.00 -1.26 0.00 0.00 59.98 58.10 2k9s h ARG 36 Cb 0.44 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2k9s h ARG 36 CO 0.01 1.13 -0.35 1.25 0.56 0.00 0.00 179.97 182.57 2k9s h LEU 37 N 0.48 0.94 -1.01 3.04 5.85 -0.95 -3.07 115.31 120.61 2k9s h LEU 37 Ca -0.03 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2k9s h LEU 37 Cb 1.30 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2k9s h LEU 37 CO 0.14 1.20 0.66 0.77 -0.34 0.00 0.00 178.44 180.87 2k9s h SER 38 N 0.74 1.12 -0.14 1.25 4.64 -0.55 0.21 113.55 120.82 2k9s h SER 38 Ca 0.07 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2k9s h SER 38 Cb 0.93 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2k9s h SER 38 CO 0.09 0.79 0.07 -0.74 -0.87 0.00 0.00 176.83 176.17 2k9s h HIS 39 N 1.31 0.14 -0.04 4.77 -0.00 -1.43 0.13 115.15 120.03 2k9s h HIS 39 Ca 0.39 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.64 2k9s h HIS 39 Cb -0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 2k9s h HIS 39 CO -0.00 0.08 -0.56 -0.07 -0.00 0.00 0.00 177.93 177.38 2k9s h LEU 40 N 0.16 0.12 0.06 0.26 3.38 -1.40 -0.86 115.31 117.03 2k9s h LEU 40 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k9s h LEU 40 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k9s h LEU 40 CO -0.03 0.65 -0.03 0.15 0.09 0.00 0.00 178.44 179.27 2k9s h PHE 41 N 0.08 -0.08 0.00 1.13 3.57 -0.16 0.40 116.94 121.89 2k9s h PHE 41 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2k9s h PHE 41 Cb 1.01 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2k9s h PHE 41 CO 0.01 0.30 -0.42 0.00 -2.23 0.00 0.00 178.31 175.98 2k9s h ARG 42 N -0.47 0.00 0.25 1.11 3.08 -0.76 0.44 114.38 118.02 2k9s h ARG 42 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 2k9s h ARG 42 Cb 0.41 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.50 2k9s h ARG 42 CO 0.01 0.42 -1.47 0.37 -1.07 0.00 0.00 179.97 178.23 2k9s h GLN 43 N 0.00 0.55 0.23 0.04 5.75 -1.09 0.47 115.11 121.06 2k9s h GLN 43 Ca -0.00 -0.93 -0.32 0.00 -0.15 0.00 0.00 58.65 57.24 2k9s h GLN 43 Cb 0.87 0.34 0.03 0.00 1.07 0.00 0.00 27.48 29.79 2k9s h GLN 43 CO 0.05 1.44 -1.44 1.96 -2.65 0.00 0.00 178.83 178.20 2k9s h GLN 44 N 0.16 0.49 0.00 1.69 1.08 -0.13 -3.32 115.11 115.08 2k9s h GLN 44 Ca -0.25 -0.84 0.00 0.00 -1.45 0.00 0.00 58.65 56.11 2k9s h GLN 44 Cb 2.16 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 29.90 2k9s h GLN 44 CO 0.28 1.40 -0.88 -0.07 -0.95 0.00 0.00 178.83 178.61 2k9s h LEU 45 N 0.07 0.00 0.00 1.46 3.38 -0.26 -3.48 115.31 116.48 2k9s h LEU 45 Ca -0.26 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2k9s h LEU 45 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2k9s h LEU 45 CO 0.25 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2k9s n GLY 46 N 1.22 1.45 3.48 0.83 0.00 0.16 -4.96 105.19 107.37 2k9s n GLY 46 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.56 0.01 0.58 -0.61 -0.00 -1.10 -4.90 121.20 111.62 2k9s s ILE 47 Ca 0.00 -1.47 -0.15 0.00 -0.00 0.00 0.00 60.65 59.03 2k9s s ILE 47 Cb 0.00 -2.16 -0.05 0.00 -0.00 0.00 0.00 42.46 40.25 2k9s s ILE 47 CO 0.00 -0.06 1.03 -0.44 -0.00 0.00 0.00 174.94 175.48 2k9s s SER 48 N -3.03 6.04 0.30 4.36 0.01 -1.26 -3.66 113.70 116.47 2k9s s SER 48 Ca 0.24 1.69 0.04 0.00 1.31 0.00 0.00 55.95 59.23 2k9s s SER 48 Cb 0.01 -2.52 0.66 0.00 0.21 0.00 0.00 66.02 64.39 2k9s s SER 48 CO 0.07 -0.99 1.83 0.58 0.41 0.00 0.00 173.24 175.14 2k9s h VAL 49 N 0.42 0.84 -0.70 3.43 2.07 -1.95 -0.61 116.25 119.76 2k9s h VAL 49 Ca -0.46 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 66.85 2k9s h VAL 49 Cb 1.21 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2k9s h VAL 49 CO 0.59 0.16 0.34 -0.07 0.02 0.00 0.00 177.57 178.61 2k9s h LEU 50 N 0.87 0.44 -0.11 2.57 -0.00 -2.00 0.25 115.31 117.33 2k9s h LEU 50 Ca 0.51 0.06 -0.14 0.00 -0.00 0.00 0.00 57.88 58.31 2k9s h LEU 50 Cb 0.65 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2k9s h LEU 50 CO -0.28 0.25 -0.47 0.28 -0.00 0.00 0.00 178.44 178.22 2k9s h SER 51 N 0.58 0.60 -0.96 -0.43 0.02 -1.56 -3.05 113.55 108.76 2k9s h SER 51 Ca 0.34 -0.63 0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2k9s h SER 51 Cb 0.36 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2k9s h SER 51 CO -0.27 1.13 0.63 -0.25 -1.14 0.00 0.00 176.83 176.93 2k9s h TRP 52 N 0.11 1.18 -0.28 3.45 7.01 -0.64 -0.32 115.95 126.46 2k9s h TRP 52 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2k9s h TRP 52 Cb 1.11 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2k9s h TRP 52 CO 0.11 0.70 0.18 -0.09 -2.79 0.00 0.00 178.44 176.56 2k9s h ARG 53 N 1.24 0.37 -0.52 2.65 1.12 -0.54 0.88 114.38 119.59 2k9s h ARG 53 Ca 0.37 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 59.13 2k9s h ARG 53 Cb -0.05 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 2k9s h ARG 53 CO -0.11 0.25 -0.04 1.49 -3.11 0.00 0.00 179.97 178.46 2k9s h GLU 54 N 0.37 0.91 -0.39 0.20 4.22 -1.34 -2.19 114.58 116.36 2k9s h GLU 54 Ca 0.10 -0.28 -0.10 0.00 0.08 0.00 0.00 59.36 59.16 2k9s h GLU 54 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k9s h GLU 54 CO -0.02 0.92 -0.17 0.22 -2.18 0.00 0.00 179.01 177.78 2k9s h ASP 55 N 0.83 0.73 -0.29 1.04 1.82 -0.71 0.42 116.42 120.25 2k9s h ASP 55 Ca 0.15 -0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 56.50 2k9s h ASP 55 Cb 0.55 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 2k9s h ASP 55 CO 0.03 0.90 -0.03 1.56 -1.61 0.00 0.00 179.24 180.10 2k9s h GLN 56 N 0.65 0.53 -0.32 0.28 1.08 -0.59 0.24 115.11 116.97 2k9s h GLN 56 Ca 0.10 -0.18 -0.15 0.00 -1.45 0.00 0.00 58.65 56.97 2k9s h GLN 56 Cb 0.65 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2k9s h GLN 56 CO 0.05 0.70 -0.39 0.07 -0.95 0.00 0.00 178.83 178.31 2k9s h ARG 57 N 0.30 0.82 -0.08 1.46 0.11 -1.31 -2.66 114.38 113.01 2k9s h ARG 57 Ca 0.08 -0.46 -0.12 0.00 0.10 0.00 0.00 59.98 59.57 2k9s h ARG 57 Cb 0.48 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2k9s h ARG 57 CO 0.02 1.10 -0.50 0.82 0.10 0.00 0.00 179.97 181.50 2k9s h ILE 58 N 0.60 1.35 -0.54 0.08 1.08 -0.88 -2.78 117.51 116.41 2k9s h ILE 58 Ca 0.04 -1.75 -0.11 0.00 -0.39 0.00 0.00 64.86 62.66 2k9s h ILE 58 Cb 0.98 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 2k9s h ILE 58 CO 0.09 0.52 -0.08 -1.28 -0.69 0.00 0.00 178.15 176.71 2k9s h SER 59 N 0.18 0.99 -0.52 1.72 0.87 -0.46 -2.82 113.55 113.51 2k9s h SER 59 Ca 0.01 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2k9s h SER 59 Cb 0.95 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2k9s h SER 59 CO 0.08 1.09 -0.11 -0.61 -0.53 0.00 0.00 176.83 176.75 2k9s h GLN 60 N 0.90 0.98 -0.48 2.24 5.75 -1.38 -1.38 115.11 121.74 2k9s h GLN 60 Ca 0.15 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2k9s h GLN 60 Cb 0.64 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 2k9s h GLN 60 CO 0.04 1.04 0.23 0.00 -2.65 0.00 0.00 178.83 177.50 2k9s h ALA 61 N 0.91 0.61 -0.09 3.38 0.00 -1.37 0.15 119.26 122.85 2k9s h ALA 61 Ca 0.13 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2k9s h ALA 61 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k9s h ALA 61 CO 0.05 -0.13 -0.57 0.87 0.00 0.00 0.00 179.25 179.48 2k9s h LYS 62 N 0.46 0.26 0.01 0.00 1.57 -1.42 -0.37 116.57 117.07 2k9s h LYS 62 Ca 0.21 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k9s h LYS 62 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2k9s h LYS 62 CO -0.16 0.76 -0.00 1.25 -0.57 0.00 0.00 179.45 180.72 2k9s h LEU 63 N 0.20 -0.01 -0.53 2.94 6.46 -0.53 -1.53 115.31 122.32 2k9s h LEU 63 Ca -0.00 -0.36 -0.15 0.00 -0.12 0.00 0.00 57.88 57.25 2k9s h LEU 63 Cb 1.06 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 2k9s h LEU 63 CO 0.09 0.36 -0.42 0.17 -0.62 0.00 0.00 178.44 178.01 2k9s h LEU 64 N -0.37 0.78 -1.61 2.25 8.10 -0.76 -2.91 115.31 120.78 2k9s h LEU 64 Ca -0.00 -0.36 -0.04 0.00 0.11 0.00 0.00 57.88 57.58 2k9s h LEU 64 Cb 0.36 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2k9s h LEU 64 CO 0.00 1.10 -0.21 -0.07 -4.11 0.00 0.00 178.44 175.15 2k9s h LEU 65 N 0.59 0.00 -0.98 0.17 3.38 -1.06 0.29 115.31 117.70 2k9s h LEU 65 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k9s h LEU 65 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k9s h LEU 65 CO 0.09 0.21 0.00 -1.28 0.09 0.00 0.00 178.44 177.55 2k9s h SER 66 N 0.00 0.00 0.00 -0.43 0.87 -1.07 -2.91 113.55 110.01 2k9s h SER 66 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9s h SER 66 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2k9s h SER 66 CO 0.03 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.40 2k9s n THR 67 N -2.66 0.20 -4.24 2.23 5.66 -0.57 -5.05 114.28 109.85 2k9s n THR 67 Ca 0.02 -0.59 -0.14 0.00 -3.05 0.00 0.00 64.05 60.29 2k9s n THR 67 Cb 0.29 0.92 -0.10 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.20 0.93 -0.10 1.09 -4.23 0.91 -5.05 115.64 109.00 2k9s s THR 68 Ca 0.00 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 58.64 2k9s s THR 68 Cb 0.00 -1.93 0.21 0.00 1.34 0.00 0.00 72.50 72.12 2k9s s THR 68 CO 0.00 -0.66 1.10 -2.11 -0.54 0.00 0.00 174.62 172.41 2k9s n ARG 69 N -0.20 1.36 -1.21 3.99 0.00 -1.26 -4.62 116.66 114.72 2k9s n ARG 69 Ca -0.09 -2.22 -0.33 0.00 -0.00 0.00 0.00 57.85 55.20 2k9s n ARG 69 Cb 0.62 -1.31 0.11 0.00 -0.00 0.00 0.00 32.46 31.88 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 1.83 0.93 2.89 -1.94 -1.26 -5.00 119.30 114.49 2k9s s MET 70 Ca 0.24 1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 55.75 2k9s s MET 70 Cb 0.21 -1.81 0.15 0.00 2.01 0.00 0.00 34.83 35.38 2k9s s MET 70 CO 0.02 -2.04 1.09 -1.25 -0.01 0.00 0.00 175.02 172.83 2k9s s PRO 71 N -4.20 0.99 0.47 2.03 0.04 -1.26 -4.76 135.00 128.30 2k9s s PRO 71 Ca 0.71 0.72 0.13 0.00 0.04 0.00 0.00 61.00 62.61 2k9s s PRO 71 Cb -0.26 -1.79 1.08 0.00 0.04 0.00 0.00 34.50 33.57 2k9s s PRO 71 CO 0.50 -2.40 2.07 0.82 0.04 0.00 0.00 177.00 178.02 2k9s h ILE 72 N -1.66 1.07 -0.18 0.56 1.08 -1.95 -0.87 117.51 115.56 2k9s h ILE 72 Ca -0.51 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2k9s h ILE 72 Cb 1.30 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2k9s h ILE 72 CO 0.56 0.09 0.02 0.00 -0.69 0.00 0.00 178.15 178.12 2k9s h ALA 73 N 1.87 0.24 -0.12 1.87 0.00 -1.91 -1.45 119.26 119.76 2k9s h ALA 73 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k9s h ALA 73 Cb 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k9s h ALA 73 CO 0.00 -0.07 -0.08 1.15 0.00 0.00 0.00 179.25 180.25 2k9s h THR 74 N 0.08 1.34 -0.95 0.00 2.02 -1.83 -3.15 112.91 110.42 2k9s h THR 74 Ca 0.05 -1.18 0.08 0.00 0.77 0.00 0.00 66.41 66.14 2k9s h THR 74 Cb 0.35 1.86 -0.07 0.00 -1.74 0.00 0.00 68.15 68.54 2k9s h THR 74 CO 0.01 0.34 0.59 0.58 0.37 0.00 0.00 175.52 177.41 2k9s h VAL 75 N -0.11 1.00 -0.87 3.16 2.07 -1.20 -1.91 116.25 118.40 2k9s h VAL 75 Ca 0.02 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.26 2k9s h VAL 75 Cb 0.58 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2k9s h VAL 75 CO 0.02 0.19 0.53 1.23 0.02 0.00 0.00 177.57 179.56 2k9s h GLY 76 N 1.02 1.32 1.21 2.17 0.00 -1.22 -1.22 103.07 106.36 2k9s h GLY 76 Ca 0.43 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.45 2k9s h GLY 76 CO -0.21 0.24 0.37 3.21 0.00 0.00 0.00 176.54 180.15 2k9s h ARG 77 N 0.95 0.46 -0.15 4.80 3.08 -0.95 0.48 114.38 123.06 2k9s h ARG 77 Ca 0.39 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 2k9s h ARG 77 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2k9s h ARG 77 CO -0.19 0.30 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.01 2k9s h ASN 78 N 0.47 0.21 -0.56 7.04 2.35 -1.18 -1.66 115.58 122.25 2k9s h ASN 78 Ca 0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2k9s h ASN 78 Cb 0.34 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2k9s h ASN 78 CO -0.07 0.34 0.00 1.33 -1.65 0.00 0.00 177.43 177.38 2k9s n VAL 79 N -4.31 2.14 -0.92 2.81 0.24 -0.17 -4.89 118.33 113.24 2k9s n VAL 79 Ca -0.01 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2k9s n VAL 79 Cb 0.24 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.81 0.55 3.63 7.63 0.00 -0.62 -4.66 105.19 112.53 2k9s n GLY 80 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.49 3.19 0.08 1.61 0.40 0.15 -4.91 117.98 116.00 2k9s s PHE 81 Ca 0.00 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.45 2k9s s PHE 81 Cb 0.00 -3.48 -0.24 0.00 0.51 0.00 0.00 43.02 39.82 2k9s s PHE 81 CO 0.00 -0.67 1.13 0.38 0.70 0.00 0.00 175.22 176.76 2k9s h ASP 82 N 8.05 0.13 -3.84 1.36 2.03 -1.94 -2.63 116.42 119.58 2k9s h ASP 82 Ca -0.22 -0.15 -0.65 0.00 -0.73 0.00 0.00 57.03 55.28 2k9s h ASP 82 Cb 1.07 -0.04 -0.17 0.00 -0.83 0.00 0.00 39.33 39.36 2k9s h ASP 82 CO 0.97 1.12 -0.48 -1.81 -1.03 0.00 0.00 179.24 178.02 2k9s s ASP 83 N -6.75 6.05 0.35 4.15 1.11 -1.26 -4.95 116.67 115.37 2k9s s ASP 83 Ca -0.02 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.69 2k9s s ASP 83 Cb 0.09 -2.13 0.64 0.00 1.07 0.00 0.00 42.92 42.58 2k9s s ASP 83 CO 0.84 -0.10 1.94 0.06 1.18 0.00 0.00 175.17 179.08 2k9s h GLN 84 N 8.37 0.63 -0.22 8.23 -0.00 -1.84 -2.27 115.11 128.02 2k9s h GLN 84 Ca -0.34 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.09 2k9s h GLN 84 Cb 1.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 28.53 2k9s h GLN 84 CO 0.58 0.54 -0.42 -0.07 -0.00 0.00 0.00 178.83 179.46 2k9s h LEU 85 N 0.63 0.55 -0.94 0.06 3.38 -1.93 -2.85 115.31 114.21 2k9s h LEU 85 Ca 0.15 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2k9s h LEU 85 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2k9s h LEU 85 CO -0.01 0.90 0.61 0.22 0.09 0.00 0.00 178.44 180.25 2k9s h TYR 86 N 0.42 1.20 -0.23 1.13 3.20 -1.83 0.15 116.97 121.02 2k9s h TYR 86 Ca 0.03 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2k9s h TYR 86 Cb 0.91 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2k9s h TYR 86 CO 0.03 0.77 -0.03 0.35 -1.64 0.00 0.00 178.16 177.64 2k9s h PHE 87 N 1.28 0.46 -0.49 -3.82 3.57 -1.41 -2.09 116.94 114.44 2k9s h PHE 87 Ca 0.34 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 2k9s h PHE 87 Cb -0.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2k9s h PHE 87 CO -0.00 0.63 -0.01 0.66 -2.23 0.00 0.00 178.31 177.35 2k9s h SER 88 N 0.16 0.80 0.09 0.41 4.64 -1.26 0.28 113.55 118.68 2k9s h SER 88 Ca 0.06 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2k9s h SER 88 Cb 0.46 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2k9s h SER 88 CO 0.02 0.87 -0.04 0.03 -0.87 0.00 0.00 176.83 176.83 2k9s h ARG 89 N 0.76 -0.12 -0.15 4.77 3.08 -0.61 0.26 114.38 122.37 2k9s h ARG 89 Ca 0.14 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2k9s h ARG 89 Cb 0.48 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2k9s h ARG 89 CO 0.02 0.04 -0.21 0.28 -1.07 0.00 0.00 179.97 179.03 2k9s h VAL 90 N -0.25 1.36 -0.53 2.04 2.07 -1.30 -3.15 116.25 116.49 2k9s h VAL 90 Ca -0.01 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2k9s h VAL 90 Cb 0.21 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2k9s h VAL 90 CO 0.02 0.42 0.27 0.15 0.02 0.00 0.00 177.57 178.45 2k9s h PHE 91 N 0.02 0.72 -0.28 1.57 3.04 -0.44 -0.16 116.94 121.40 2k9s h PHE 91 Ca 0.02 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2k9s h PHE 91 Cb 0.77 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 2k9s h PHE 91 CO 0.09 0.52 0.07 -0.22 -2.02 0.00 0.00 178.31 176.75 2k9s h LYS 92 N 0.74 0.17 0.00 1.11 3.64 -0.45 -1.94 116.57 119.84 2k9s h LYS 92 Ca 0.19 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2k9s h LYS 92 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2k9s h LYS 92 CO -0.03 0.11 -0.46 0.87 -2.27 0.00 0.00 179.45 177.68 2k9s h LYS 93 N 0.18 0.00 -0.10 1.90 6.56 -1.44 0.74 116.57 124.40 2k9s h LYS 93 Ca 0.13 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.74 2k9s h LYS 93 Cb 0.12 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.76 2k9s h LYS 93 CO -0.16 0.46 -0.03 0.00 -2.06 0.00 0.00 179.45 177.66 2k9s n THR 95 N -5.15 0.00 -0.06 0.00 -2.24 -0.95 -4.98 114.28 100.91 2k9s n THR 95 Ca -0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2k9s n THR 95 Cb 0.08 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.38 0.63 3.01 3.38 0.00 0.23 -5.04 105.19 108.78 2k9s n GLY 96 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.27 0.37 0.91 4.61 0.00 0.24 -4.83 121.76 120.78 2k9s s ALA 97 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2k9s s ALA 97 Cb 0.00 0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.32 2k9s s ALA 97 CO 0.00 -0.06 1.10 -1.54 0.00 0.00 0.00 175.76 175.27 2k9s s SER 98 N -1.31 3.19 0.28 0.00 1.04 -1.26 -4.01 113.70 111.62 2k9s s SER 98 Ca -0.10 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.22 2k9s s SER 98 Cb -0.09 -2.43 0.40 0.00 0.10 0.00 0.00 66.02 64.00 2k9s s SER 98 CO -0.00 -2.87 1.66 1.55 0.98 0.00 0.00 173.24 174.56 2k9s h PRO 99 N -1.71 0.25 -0.22 4.02 0.13 -1.90 -2.58 132.00 129.98 2k9s h PRO 99 Ca -0.47 -0.13 -0.09 0.00 -0.87 0.00 0.00 66.00 64.44 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 0.66 -0.26 0.66 -0.23 0.00 0.00 178.00 179.31 2k9s h SER 100 N 0.20 0.43 -0.02 1.44 4.64 -1.99 -1.33 113.55 116.92 2k9s h SER 100 Ca 0.01 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2k9s h SER 100 Cb 0.89 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2k9s h SER 100 CO 0.07 0.69 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.42 2k9s h GLU 101 N 0.38 0.19 -0.40 4.77 4.81 -1.90 -2.78 114.58 119.65 2k9s h GLU 101 Ca 0.06 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2k9s h GLU 101 Cb 0.67 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2k9s h GLU 101 CO 0.05 0.87 0.26 0.35 -0.73 0.00 0.00 179.01 179.81 2k9s h PHE 102 N -0.43 0.51 -0.97 0.92 3.57 -1.43 -1.86 116.94 117.24 2k9s h PHE 102 Ca -0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2k9s h PHE 102 Cb 0.93 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2k9s h PHE 102 CO 0.16 0.33 0.64 -0.09 -2.23 0.00 0.00 178.31 177.12 2k9s h ARG 103 N 0.54 1.23 0.00 1.11 9.65 -1.33 -1.19 114.38 124.39 2k9s h ARG 103 Ca 0.15 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2k9s h ARG 103 Cb -0.05 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.24 2k9s h ARG 103 CO -0.03 0.82 -0.23 0.00 2.80 0.00 0.00 179.97 183.33 2k9s h ALA 104 N 1.38 1.27 0.00 2.80 0.00 -1.15 -3.46 119.26 120.09 2k9s h ALA 104 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k9s h ALA 104 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k9s h ALA 104 CO -0.10 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2k9s n GLY 105 N -0.44 1.48 3.67 0.00 0.00 -0.45 -5.01 105.19 104.43 2k9s n GLY 105 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32