#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 6.89 0.22 6.12 -1.08 -1.26 -4.88 116.67 122.67 2k9s s ASP 2 Ca 0.00 1.79 -0.08 0.00 -0.52 0.00 0.00 52.55 53.74 2k9s s ASP 2 Cb 0.00 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 2k9s s ASP 2 CO 0.00 -0.39 1.75 0.78 0.52 0.00 0.00 175.17 177.83 2k9s h ASN 3 N 2.13 0.29 -0.31 -0.34 4.21 -2.04 0.26 115.58 119.78 2k9s h ASN 3 Ca -0.49 0.08 -0.15 0.00 1.21 0.00 0.00 56.30 56.95 2k9s h ASN 3 Cb 1.19 0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2k9s h ASN 3 CO 0.61 0.16 -0.40 0.03 -1.29 0.00 0.00 177.43 176.55 2k9s h ARG 4 N 0.46 0.83 -0.72 0.81 -0.00 -1.93 -2.93 114.38 110.89 2k9s h ARG 4 Ca 0.33 -0.47 -0.04 0.00 -0.50 0.00 0.00 59.98 59.30 2k9s h ARG 4 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.37 2k9s h ARG 4 CO -0.31 1.10 0.31 0.28 0.00 0.00 0.00 179.97 181.36 2k9s h VAL 5 N 0.60 1.24 -0.60 2.04 2.07 -1.73 -2.50 116.25 117.37 2k9s h VAL 5 Ca 0.04 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2k9s h VAL 5 Cb 0.99 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2k9s h VAL 5 CO 0.09 0.30 0.18 -0.09 0.02 0.00 0.00 177.57 178.07 2k9s h ARG 6 N 1.04 0.92 -0.35 1.57 2.43 -0.46 -2.41 114.38 117.13 2k9s h ARG 6 Ca 0.25 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2k9s h ARG 6 Cb 0.16 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2k9s h ARG 6 CO -0.03 0.80 0.10 1.49 -1.51 0.00 0.00 179.97 180.82 2k9s h GLU 7 N 0.89 0.50 -0.49 0.20 4.81 -1.26 -2.15 114.58 117.07 2k9s h GLU 7 Ca 0.20 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2k9s h GLU 7 Cb 0.27 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2k9s h GLU 7 CO -0.01 0.45 0.25 0.00 -0.73 0.00 0.00 179.01 178.97 2k9s h ALA 8 N 1.62 1.51 -0.48 2.92 0.00 -1.25 -1.97 119.26 121.61 2k9s h ALA 8 Ca 0.12 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k9s h ALA 8 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2k9s h ALA 8 CO -0.01 0.40 0.32 0.00 0.00 0.00 0.00 179.25 179.96 2k9s h GLN 10 N 0.55 0.53 -0.06 0.00 1.08 -1.41 0.14 115.11 115.94 2k9s h GLN 10 Ca 0.19 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2k9s h GLN 10 Cb 0.07 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2k9s h GLN 10 CO -0.05 0.63 -0.05 -0.92 -0.95 0.00 0.00 178.83 177.49 2k9s h TYR 11 N 0.35 0.17 -0.85 2.96 3.20 -1.38 -2.89 116.97 118.53 2k9s h TYR 11 Ca 0.09 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2k9s h TYR 11 Cb 0.37 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2k9s h TYR 11 CO 0.03 0.58 0.49 0.82 -1.64 0.00 0.00 178.16 178.44 2k9s h ILE 12 N -0.30 1.24 -0.72 1.81 2.04 -0.97 -2.55 117.51 118.07 2k9s h ILE 12 Ca 0.01 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.36 2k9s h ILE 12 Cb 0.55 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 2k9s h ILE 12 CO 0.01 0.26 0.42 -1.28 0.00 0.00 0.00 178.15 177.56 2k9s h SER 13 N 1.17 0.63 0.67 1.72 0.87 -0.73 0.28 113.55 118.16 2k9s h SER 13 Ca 0.30 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 2k9s h SER 13 Cb -0.01 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2k9s h SER 13 CO -0.05 0.41 -0.07 0.44 -0.53 0.00 0.00 176.83 177.03 2k9s h ASP 14 N 0.77 0.00 -0.58 6.23 5.19 -1.24 -1.95 116.42 124.84 2k9s h ASP 14 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2k9s h ASP 14 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2k9s h ASP 14 CO -0.17 0.07 0.00 1.41 -3.12 0.00 0.00 179.24 177.43 2k9s n HIS 15 N -3.28 1.75 0.20 4.55 8.25 0.01 -4.47 115.22 122.23 2k9s n HIS 15 Ca -0.01 -0.69 0.07 0.00 -0.26 0.00 0.00 57.72 56.83 2k9s n HIS 15 Cb 0.27 -0.39 0.59 0.00 1.12 0.00 0.00 29.99 31.58 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 3.83 0.10 0.00 2.41 6.46 -0.52 -1.72 115.31 125.87 2k9s h LEU 16 Ca 0.00 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2k9s h LEU 16 Cb 1.73 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.63 2k9s h LEU 16 CO 0.37 0.08 -1.40 0.00 -0.62 0.00 0.00 178.44 176.87 2k9s n ALA 17 N -2.53 2.50 -1.63 1.25 0.00 -1.26 -4.70 120.51 114.14 2k9s n ALA 17 Ca -0.02 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2k9s n ALA 17 Cb 0.08 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 -5.17 4.62 -0.25 0.00 1.11 -0.65 -4.91 116.67 111.42 2k9s s ASP 18 Ca -0.03 2.50 -0.16 0.00 0.18 0.00 0.00 52.55 55.04 2k9s s ASP 18 Cb 0.11 -2.61 -0.12 0.00 1.07 0.00 0.00 42.92 41.37 2k9s s ASP 18 CO 0.83 -1.98 -0.25 -1.20 1.18 0.00 0.00 175.17 173.74 2k9s n SER 19 N -2.05 1.94 -4.58 0.27 7.64 -1.26 -4.85 113.62 110.73 2k9s n SER 19 Ca 0.15 0.36 -0.42 0.00 1.01 0.00 0.00 58.87 59.97 2k9s n SER 19 Cb 0.49 -0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 2k9s n SER 19 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2k9s s ASN 20 N -7.18 6.30 -0.18 6.43 -0.87 -1.26 -4.99 114.94 113.18 2k9s s ASN 20 Ca -0.36 0.21 -0.03 0.00 -1.57 0.00 0.00 52.86 51.11 2k9s s ASN 20 Cb 0.12 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.25 38.78 2k9s s ASN 20 CO 0.49 -1.59 -0.06 0.12 -2.57 0.00 0.00 177.10 173.50 2k9s s PHE 21 N 5.47 2.94 -0.28 2.20 5.36 -1.26 -5.09 117.98 127.32 2k9s s PHE 21 Ca 0.48 -0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 55.72 2k9s s PHE 21 Cb -0.09 -2.01 0.04 0.00 -0.34 0.00 0.00 43.02 40.62 2k9s s PHE 21 CO 0.25 -0.35 -0.04 0.34 -1.46 0.00 0.00 175.22 173.96 2k9s s ASP 22 N 0.96 4.61 0.58 6.13 2.15 -1.26 -4.97 116.67 124.87 2k9s s ASP 22 Ca -0.01 -1.18 0.28 0.00 0.43 0.00 0.00 52.55 52.08 2k9s s ASP 22 Cb -0.15 -1.66 1.56 0.00 -0.30 0.00 0.00 42.92 42.37 2k9s s ASP 22 CO 0.00 -0.21 2.01 -0.29 -0.17 0.00 0.00 175.17 176.52 2k9s h ILE 23 N 6.43 0.47 -0.69 4.11 2.10 -2.01 -0.73 117.51 127.18 2k9s h ILE 23 Ca -0.24 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.69 2k9s h ILE 23 Cb 1.07 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.51 2k9s h ILE 23 CO 0.53 0.00 0.42 0.00 -1.08 0.00 0.00 178.15 178.02 2k9s h ALA 24 N 1.65 0.89 -0.05 0.18 0.00 -2.00 -1.97 119.26 117.96 2k9s h ALA 24 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k9s h ALA 24 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k9s h ALA 24 CO -0.00 0.36 -0.12 0.77 0.00 0.00 0.00 179.25 180.26 2k9s h SER 25 N 0.95 0.07 -0.17 0.00 0.02 -1.56 -2.23 113.55 110.63 2k9s h SER 25 Ca 0.25 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 2k9s h SER 25 Cb -0.03 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k9s h SER 25 CO -0.05 0.20 -0.44 0.58 -1.14 0.00 0.00 176.83 175.98 2k9s h VAL 26 N 0.07 1.29 -0.07 2.27 2.07 -1.38 -2.04 116.25 118.48 2k9s h VAL 26 Ca 0.02 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 2k9s h VAL 26 Cb 0.26 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2k9s h VAL 26 CO 0.02 0.53 -0.02 0.00 0.02 0.00 0.00 177.57 178.12 2k9s h ALA 27 N 0.91 0.09 -0.64 1.67 0.00 -0.98 -3.03 119.26 117.29 2k9s h ALA 27 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k9s h ALA 27 Cb 1.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2k9s h ALA 27 CO 0.09 -0.19 0.32 -0.56 0.00 0.00 0.00 179.25 178.92 2k9s h GLN 28 N -0.21 0.90 -0.60 0.00 3.07 -1.46 -0.28 115.11 116.54 2k9s h GLN 28 Ca 0.02 -0.11 0.06 0.00 0.09 0.00 0.00 58.65 58.71 2k9s h GLN 28 Cb 0.42 -0.17 -0.04 0.00 0.08 0.00 0.00 27.48 27.77 2k9s h GLN 28 CO 0.01 0.69 0.40 1.25 0.09 0.00 0.00 178.83 181.26 2k9s h HIS 29 N 0.90 0.59 -0.59 0.06 2.76 -1.30 0.49 115.15 118.07 2k9s h HIS 29 Ca 0.23 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2k9s h HIS 29 Cb 0.07 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2k9s h HIS 29 CO 0.01 0.32 0.00 1.33 -1.30 0.00 0.00 177.93 178.29 2k9s n VAL 30 N -4.47 1.57 -3.45 5.26 0.24 -0.78 -4.92 118.33 111.76 2k9s n VAL 30 Ca 0.08 -1.03 -0.25 0.00 -2.04 0.00 0.00 64.34 61.10 2k9s n VAL 30 Cb 0.23 0.11 0.01 0.00 -1.47 0.00 0.00 33.84 32.71 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 -6.70 2.28 0.74 0.00 2.96 -0.19 -5.01 118.68 112.77 2k9s s LEU 32 Ca 0.45 -0.88 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 2k9s s LEU 32 Cb -0.23 0.33 0.04 0.00 0.50 0.00 0.00 46.19 46.83 2k9s s LEU 32 CO 0.55 -0.58 1.09 -0.44 -1.32 0.00 0.00 176.35 175.66 2k9s s SER 33 N -2.72 4.72 0.15 3.68 0.01 -1.26 -3.56 113.70 114.71 2k9s s SER 33 Ca 0.04 1.86 -0.10 0.00 1.31 0.00 0.00 55.95 59.06 2k9s s SER 33 Cb 0.05 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2k9s s SER 33 CO -0.09 -1.89 1.49 1.55 0.41 0.00 0.00 173.24 174.71 2k9s h PRO 34 N -0.79 0.91 -0.16 12.44 0.13 -1.90 -0.11 132.00 142.52 2k9s h PRO 34 Ca -0.44 -0.48 -0.04 0.00 -0.87 0.00 0.00 66.00 64.17 2k9s h PRO 34 Cb 1.23 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k9s h PRO 34 CO 0.52 1.13 -0.05 1.03 -0.23 0.00 0.00 178.00 180.40 2k9s h SER 35 N 0.74 0.33 -0.42 1.44 0.87 -1.98 0.22 113.55 114.75 2k9s h SER 35 Ca 0.06 -0.38 -0.13 0.00 -1.23 0.00 0.00 61.79 60.10 2k9s h SER 35 Cb 0.98 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2k9s h SER 35 CO 0.09 0.64 -0.26 -0.09 -0.53 0.00 0.00 176.83 176.69 2k9s h ARG 36 N 0.02 0.92 -0.25 2.24 9.65 -1.96 -2.20 114.38 122.80 2k9s h ARG 36 Ca 0.04 -0.42 -0.08 0.00 -1.10 0.00 0.00 59.98 58.42 2k9s h ARG 36 Cb 0.50 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2k9s h ARG 36 CO 0.02 1.08 -0.16 1.25 2.80 0.00 0.00 179.97 184.96 2k9s h LEU 37 N 0.75 0.57 -1.08 3.80 5.85 -1.00 -2.91 115.31 121.27 2k9s h LEU 37 Ca 0.09 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.39 2k9s h LEU 37 Cb 0.83 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2k9s h LEU 37 CO 0.07 0.88 0.62 0.28 -0.34 0.00 0.00 178.44 179.95 2k9s h SER 38 N 0.27 1.07 -0.11 1.25 0.02 -0.56 0.24 113.55 115.73 2k9s h SER 38 Ca 0.05 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2k9s h SER 38 Cb 0.68 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2k9s h SER 38 CO 0.04 0.77 0.06 -0.74 -1.14 0.00 0.00 176.83 175.82 2k9s h HIS 39 N 1.26 0.11 -0.04 3.45 -0.00 -1.32 -1.71 115.15 116.89 2k9s h HIS 39 Ca 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.58 2k9s h HIS 39 Cb -0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 2k9s h HIS 39 CO -0.00 0.06 -0.61 -0.07 -0.00 0.00 0.00 177.93 177.32 2k9s h LEU 40 N 0.12 0.15 0.03 0.26 3.38 -1.28 -2.77 115.31 115.20 2k9s h LEU 40 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k9s h LEU 40 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2k9s h LEU 40 CO -0.02 0.72 -0.02 0.15 0.09 0.00 0.00 178.44 179.35 2k9s h PHE 41 N 0.10 -0.06 0.00 1.13 3.04 -0.15 0.36 116.94 121.37 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 1.09 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 2k9s h PHE 41 CO 0.01 -0.04 -0.24 0.00 -2.02 0.00 0.00 178.31 176.03 2k9s h ARG 42 N -0.05 0.00 0.13 1.11 3.08 -1.33 0.44 114.38 117.76 2k9s h ARG 42 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.77 2k9s h ARG 42 Cb 0.05 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.13 2k9s h ARG 42 CO -0.00 0.24 -1.20 0.37 -1.07 0.00 0.00 179.97 178.31 2k9s h GLN 43 N 0.00 0.58 0.23 0.04 5.75 -1.10 0.50 115.11 121.10 2k9s h GLN 43 Ca -0.00 -0.80 -0.34 0.00 -0.15 0.00 0.00 58.65 57.36 2k9s h GLN 43 Cb 0.61 0.27 0.03 0.00 1.07 0.00 0.00 27.48 29.46 2k9s h GLN 43 CO 0.03 1.36 -1.54 1.96 -2.65 0.00 0.00 178.83 177.99 2k9s h GLN 44 N 0.18 0.48 0.00 1.69 1.08 -0.14 -3.32 115.11 115.09 2k9s h GLN 44 Ca -0.19 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.19 2k9s h GLN 44 Cb 1.89 0.31 0.00 0.00 -0.05 0.00 0.00 27.48 29.62 2k9s h GLN 44 CO 0.23 1.39 -0.72 1.25 -0.95 0.00 0.00 178.83 180.03 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 6.46 -0.24 -3.42 115.31 119.70 2k9s h LEU 45 Ca -0.27 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2k9s h LEU 45 Cb 2.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2k9s h LEU 45 CO 0.25 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.74 2k9s n GLY 46 N 1.26 0.24 3.51 3.75 0.00 0.17 -4.93 105.19 109.20 2k9s n GLY 46 Ca 0.02 0.00 -0.11 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 -1.55 0.00 0.40 -0.61 -4.36 -1.14 -4.96 121.20 108.98 2k9s s ILE 47 Ca 0.00 -1.54 -0.23 0.00 -0.26 0.00 0.00 60.65 58.62 2k9s s ILE 47 Cb 0.00 -2.42 -0.10 0.00 1.25 0.00 0.00 42.46 41.19 2k9s s ILE 47 CO 0.00 0.00 1.00 -0.44 0.24 0.00 0.00 174.94 175.74 2k9s s SER 48 N -3.12 6.89 0.23 4.36 0.01 -1.26 -3.82 113.70 117.00 2k9s s SER 48 Ca 0.27 1.90 -0.06 0.00 1.31 0.00 0.00 55.95 59.38 2k9s s SER 48 Cb 0.00 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 64.04 2k9s s SER 48 CO 0.14 -0.40 1.77 0.58 0.41 0.00 0.00 173.24 175.74 2k9s h VAL 49 N 2.16 0.82 -0.33 3.43 2.07 -1.94 0.30 116.25 122.76 2k9s h VAL 49 Ca -0.48 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2k9s h VAL 49 Cb 1.20 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2k9s h VAL 49 CO 0.62 0.11 0.11 0.25 0.02 0.00 0.00 177.57 178.68 2k9s h LEU 50 N 0.61 0.42 -0.10 2.57 7.12 -2.00 -1.93 115.31 121.99 2k9s h LEU 50 Ca 0.38 -0.04 -0.12 0.00 0.13 0.00 0.00 57.88 58.23 2k9s h LEU 50 Cb 0.43 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2k9s h LEU 50 CO -0.29 0.41 -0.40 0.28 -0.13 0.00 0.00 178.44 178.31 2k9s h SER 51 N 0.47 0.53 -0.82 1.25 0.02 -1.40 -3.06 113.55 110.54 2k9s h SER 51 Ca 0.11 -0.62 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2k9s h SER 51 Cb 0.13 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2k9s h SER 51 CO -0.01 1.06 0.52 -0.25 -1.14 0.00 0.00 176.83 177.02 2k9s h TRP 52 N 0.02 0.98 -0.35 3.45 7.01 -0.77 -0.33 115.95 125.97 2k9s h TRP 52 Ca -0.02 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2k9s h TRP 52 Cb 1.03 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2k9s h TRP 52 CO 0.12 0.57 0.17 -0.09 -2.79 0.00 0.00 178.44 176.41 2k9s h ARG 53 N 1.02 0.34 -0.59 2.65 2.43 -1.39 0.19 114.38 119.02 2k9s h ARG 53 Ca 0.33 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 2k9s h ARG 53 Cb 0.01 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2k9s h ARG 53 CO -0.11 0.22 -0.01 0.93 -1.51 0.00 0.00 179.97 179.49 2k9s h GLU 54 N 0.35 1.04 -0.29 0.20 5.08 -1.34 -2.25 114.58 117.36 2k9s h GLU 54 Ca 0.15 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2k9s h GLU 54 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k9s h GLU 54 CO -0.11 1.02 -0.20 0.22 -1.00 0.00 0.00 179.01 178.95 2k9s h ASP 55 N 0.95 0.53 -0.26 1.42 1.82 -0.61 0.69 116.42 120.97 2k9s h ASP 55 Ca 0.17 -0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.59 2k9s h ASP 55 Cb 0.56 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2k9s h ASP 55 CO 0.03 0.74 -0.06 1.56 -1.61 0.00 0.00 179.24 179.90 2k9s h GLN 56 N 0.48 0.49 -0.20 0.28 1.08 -0.39 0.12 115.11 116.96 2k9s h GLN 56 Ca 0.08 -0.19 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 2k9s h GLN 56 Cb 0.61 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2k9s h GLN 56 CO 0.04 0.71 -0.35 0.07 -0.95 0.00 0.00 178.83 178.35 2k9s h ARG 57 N 0.24 0.60 -0.53 1.46 0.11 -1.30 -1.03 114.38 113.92 2k9s h ARG 57 Ca 0.06 -0.37 -0.06 0.00 0.10 0.00 0.00 59.98 59.71 2k9s h ARG 57 Cb 0.52 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.62 2k9s h ARG 57 CO 0.02 0.98 0.08 0.82 0.10 0.00 0.00 179.97 181.98 2k9s h ILE 58 N 0.28 1.25 -0.06 0.08 1.08 -0.87 -1.37 117.51 117.89 2k9s h ILE 58 Ca 0.01 -0.96 -0.12 0.00 -0.39 0.00 0.00 64.86 63.40 2k9s h ILE 58 Cb 0.95 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2k9s h ILE 58 CO 0.08 0.34 -0.52 -1.28 -0.69 0.00 0.00 178.15 176.09 2k9s h SER 59 N 0.76 0.19 -0.21 1.72 0.87 -0.78 -2.42 113.55 113.68 2k9s h SER 59 Ca 0.16 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 2k9s h SER 59 Cb 0.41 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2k9s h SER 59 CO 0.01 0.67 -0.49 -0.61 -0.53 0.00 0.00 176.83 175.88 2k9s h GLN 60 N 0.13 0.79 -0.20 2.24 5.75 -0.93 0.71 115.11 123.59 2k9s h GLN 60 Ca 0.00 -0.47 -0.05 0.00 -0.15 0.00 0.00 58.65 57.98 2k9s h GLN 60 Cb 0.96 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 2k9s h GLN 60 CO 0.08 1.10 -0.09 0.00 -2.65 0.00 0.00 178.83 177.27 2k9s h ALA 61 N 0.82 0.28 -0.07 3.38 0.00 -1.16 -2.81 119.26 119.70 2k9s h ALA 61 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2k9s h ALA 61 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k9s h ALA 61 CO 0.11 0.10 -0.60 1.57 0.00 0.00 0.00 179.25 180.43 2k9s h LYS 62 N 0.12 0.24 -0.01 0.00 2.10 -1.46 -2.18 116.57 115.39 2k9s h LYS 62 Ca 0.05 -0.17 0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2k9s h LYS 62 Cb 0.57 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2k9s h LYS 62 CO 0.03 0.77 -0.07 1.25 -2.00 0.00 0.00 179.45 179.43 2k9s h LEU 63 N 0.18 -0.20 -0.55 7.07 6.46 -0.80 -2.24 115.31 125.23 2k9s h LEU 63 Ca -0.01 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.64 2k9s h LEU 63 Cb 1.10 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2k9s h LEU 63 CO 0.09 -0.10 -0.48 0.17 -0.62 0.00 0.00 178.44 177.50 2k9s h LEU 64 N -0.12 0.66 -2.04 2.25 8.10 -1.52 -2.92 115.31 119.72 2k9s h LEU 64 Ca 0.03 -0.33 0.11 0.00 0.11 0.00 0.00 57.88 57.80 2k9s h LEU 64 Cb 0.16 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.17 2k9s h LEU 64 CO -0.08 1.03 0.29 0.25 -4.11 0.00 0.00 178.44 175.83 2k9s h LEU 65 N 0.48 0.00 -0.70 0.17 6.46 -1.07 0.35 115.31 121.00 2k9s h LEU 65 Ca 0.02 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 2k9s h LEU 65 Cb 1.02 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2k9s h LEU 65 CO 0.09 0.00 -0.60 -1.28 -0.62 0.00 0.00 178.44 176.03 2k9s h SER 66 N 0.00 0.19 -0.40 1.25 0.87 -1.21 -3.01 113.55 111.24 2k9s h SER 66 Ca 0.18 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2k9s h SER 66 Cb 0.75 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2k9s h SER 66 CO -0.00 0.75 0.00 1.07 -0.53 0.00 0.00 176.83 178.12 2k9s n THR 67 N -3.86 0.61 -4.32 2.23 5.66 0.31 -4.97 114.28 109.94 2k9s n THR 67 Ca -0.02 -0.80 -0.16 0.00 -3.05 0.00 0.00 64.05 60.01 2k9s n THR 67 Cb 0.61 0.87 -0.10 0.00 -1.55 0.00 0.00 70.33 70.15 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 -1.28 0.72 -0.09 1.09 -4.23 0.98 -5.06 115.64 107.77 2k9s s THR 68 Ca 0.35 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.00 2k9s s THR 68 Cb 0.20 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.75 2k9s s THR 68 CO 0.28 -0.15 1.10 -2.11 -0.54 0.00 0.00 174.62 173.20 2k9s n ARG 69 N -0.43 1.40 -1.83 3.99 0.00 -1.26 -4.72 116.66 113.80 2k9s n ARG 69 Ca -0.02 -2.21 -0.34 0.00 -0.00 0.00 0.00 57.85 55.28 2k9s n ARG 69 Cb 0.65 -1.30 0.04 0.00 -0.00 0.00 0.00 32.46 31.85 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 -2.24 2.84 0.92 2.89 -1.94 -1.26 -5.02 119.30 115.49 2k9s s MET 70 Ca 0.23 1.51 -0.12 0.00 -1.71 0.00 0.00 55.69 55.61 2k9s s MET 70 Cb 0.20 -1.94 0.14 0.00 2.01 0.00 0.00 34.83 35.24 2k9s s MET 70 CO 0.02 -1.24 1.09 -1.25 -0.01 0.00 0.00 175.02 173.63 2k9s s PRO 71 N -3.85 1.05 0.45 2.03 0.04 -1.26 -4.81 135.00 128.65 2k9s s PRO 71 Ca 0.70 0.74 0.13 0.00 0.04 0.00 0.00 61.00 62.61 2k9s s PRO 71 Cb -0.23 -1.79 1.02 0.00 0.04 0.00 0.00 34.50 33.54 2k9s s PRO 71 CO 0.38 -2.36 2.03 0.82 0.04 0.00 0.00 177.00 177.91 2k9s h ILE 72 N -1.64 1.10 -0.20 0.56 2.04 -1.97 -1.99 117.51 115.40 2k9s h ILE 72 Ca -0.51 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2k9s h ILE 72 Cb 1.30 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2k9s h ILE 72 CO 0.55 0.13 0.05 0.00 0.00 0.00 0.00 178.15 178.88 2k9s h ALA 73 N 1.83 0.27 -0.07 1.87 0.00 -1.91 -1.31 119.26 119.93 2k9s h ALA 73 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k9s h ALA 73 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k9s h ALA 73 CO 0.01 -0.09 0.01 1.15 0.00 0.00 0.00 179.25 180.32 2k9s h THR 74 N 0.15 1.23 -0.97 0.00 2.02 -1.84 -2.94 112.91 110.57 2k9s h THR 74 Ca 0.06 -0.72 0.09 0.00 0.77 0.00 0.00 66.41 66.61 2k9s h THR 74 Cb 0.26 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 2k9s h THR 74 CO -0.00 0.20 0.61 0.58 0.37 0.00 0.00 175.52 177.28 2k9s h VAL 75 N -0.14 1.01 -0.93 3.16 2.07 -1.37 -1.84 116.25 118.21 2k9s h VAL 75 Ca 0.02 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2k9s h VAL 75 Cb 0.31 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 2k9s h VAL 75 CO 0.00 0.19 0.61 1.23 0.02 0.00 0.00 177.57 179.62 2k9s h GLY 76 N 1.05 1.34 1.12 2.17 0.00 -1.12 -1.83 103.07 105.80 2k9s h GLY 76 Ca 0.44 -0.47 0.08 0.00 0.00 0.00 0.00 47.33 47.38 2k9s h GLY 76 CO -0.21 0.42 0.39 3.21 0.00 0.00 0.00 176.54 180.35 2k9s h ARG 77 N 1.20 0.47 -0.14 4.80 3.08 -0.92 0.47 114.38 123.34 2k9s h ARG 77 Ca 0.36 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 2k9s h ARG 77 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2k9s h ARG 77 CO -0.11 0.31 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.15 2k9s h ASN 78 N 0.48 0.19 -0.59 7.04 2.35 -1.27 -1.44 115.58 122.34 2k9s h ASN 78 Ca 0.26 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2k9s h ASN 78 Cb 0.41 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2k9s h ASN 78 CO -0.08 0.27 0.00 1.33 -1.65 0.00 0.00 177.43 177.30 2k9s n VAL 79 N -4.37 2.54 -0.92 2.81 0.24 -0.09 -4.89 118.33 113.65 2k9s n VAL 79 Ca -0.01 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 2k9s n VAL 79 Cb 0.19 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 0.76 0.49 3.63 7.63 0.00 -0.54 -4.85 105.19 112.30 2k9s n GLY 80 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.29 3.18 -0.03 1.61 0.40 0.15 -4.90 117.98 116.09 2k9s s PHE 81 Ca 0.00 1.06 0.09 0.00 -0.60 0.00 0.00 56.93 57.48 2k9s s PHE 81 Cb 0.00 -3.48 -0.24 0.00 0.51 0.00 0.00 43.02 39.81 2k9s s PHE 81 CO 0.00 -0.67 0.70 0.38 0.70 0.00 0.00 175.22 176.32 2k9s h ASP 82 N 8.07 0.08 -3.61 1.36 2.03 -1.93 -2.60 116.42 119.81 2k9s h ASP 82 Ca -0.22 -0.16 -0.62 0.00 -0.73 0.00 0.00 57.03 55.30 2k9s h ASP 82 Cb 1.07 -0.03 -0.13 0.00 -0.83 0.00 0.00 39.33 39.41 2k9s h ASP 82 CO 0.97 1.14 -0.06 -0.62 -1.03 0.00 0.00 179.24 179.64 2k9s s ASP 83 N -6.33 6.38 0.23 4.15 2.15 -1.26 -4.96 116.67 117.04 2k9s s ASP 83 Ca -0.07 0.40 -0.08 0.00 0.43 0.00 0.00 52.55 53.24 2k9s s ASP 83 Cb 0.08 -2.27 0.20 0.00 -0.30 0.00 0.00 42.92 40.63 2k9s s ASP 83 CO 0.82 -0.30 1.86 -0.61 -0.17 0.00 0.00 175.17 176.77 2k9s h GLN 84 N 8.11 1.19 -0.18 4.34 4.15 -1.89 -2.16 115.11 128.67 2k9s h GLN 84 Ca -0.29 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 58.93 2k9s h GLN 84 Cb 1.14 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 2k9s h GLN 84 CO 0.71 0.85 -0.24 -0.07 -1.93 0.00 0.00 178.83 178.15 2k9s h LEU 85 N 1.20 0.33 -0.70 -2.39 3.38 -1.96 -2.78 115.31 112.40 2k9s h LEU 85 Ca 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2k9s h LEU 85 Cb -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2k9s h LEU 85 CO -0.06 0.58 0.41 0.22 0.09 0.00 0.00 178.44 179.68 2k9s h TYR 86 N 0.30 0.93 -0.22 1.13 3.20 -1.81 0.20 116.97 120.70 2k9s h TYR 86 Ca 0.05 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2k9s h TYR 86 Cb 0.59 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2k9s h TYR 86 CO 0.01 0.64 0.02 0.35 -1.64 0.00 0.00 178.16 177.55 2k9s h PHE 87 N 0.95 0.40 -0.49 -3.82 3.57 -1.29 -1.83 116.94 114.42 2k9s h PHE 87 Ca 0.25 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2k9s h PHE 87 Cb -0.01 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2k9s h PHE 87 CO -0.01 0.53 -0.02 0.77 -2.23 0.00 0.00 178.31 177.35 2k9s h SER 88 N 0.16 0.80 0.10 0.41 0.02 -1.28 0.28 113.55 114.04 2k9s h SER 88 Ca 0.07 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2k9s h SER 88 Cb 0.35 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k9s h SER 88 CO 0.01 0.88 -0.05 0.03 -1.14 0.00 0.00 176.83 176.56 2k9s h ARG 89 N 0.77 -0.12 -0.15 3.45 3.08 -0.48 0.25 114.38 121.17 2k9s h ARG 89 Ca 0.14 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 2k9s h ARG 89 Cb 0.49 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 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 -0.26 1.35 -0.55 2.04 2.07 -1.26 -3.14 116.25 116.51 2k9s h VAL 90 Ca -0.01 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2k9s h VAL 90 Cb 0.22 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2k9s h VAL 90 CO 0.02 0.42 0.29 0.15 0.02 0.00 0.00 177.57 178.47 2k9s h PHE 91 N 0.04 0.74 -0.31 1.57 3.04 -0.44 -0.25 116.94 121.33 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 0.78 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 2k9s h PHE 91 CO 0.09 0.53 0.10 -0.22 -2.02 0.00 0.00 178.31 176.80 2k9s h LYS 92 N 0.76 0.23 0.00 1.11 3.64 -0.47 -1.91 116.57 119.93 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 0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2k9s h LYS 92 CO -0.03 0.15 -0.46 0.87 -2.27 0.00 0.00 179.45 177.72 2k9s h LYS 93 N 0.24 0.00 -0.02 1.90 1.57 -1.43 0.74 116.57 119.57 2k9s h LYS 93 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2k9s h LYS 93 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2k9s h LYS 93 CO -0.15 0.46 -0.01 0.00 -0.57 0.00 0.00 179.45 179.18 2k9s n THR 95 N -5.10 0.00 -0.02 0.00 -2.24 -0.89 -4.98 114.28 101.06 2k9s n THR 95 Ca -0.07 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k9s n THR 95 Cb 0.04 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.41 0.65 3.01 3.38 0.00 0.23 -5.04 105.19 108.83 2k9s n GLY 96 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.24 0.34 0.91 4.61 0.00 0.25 -4.82 121.76 120.81 2k9s s ALA 97 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2k9s s ALA 97 Cb 0.00 0.07 0.14 0.00 0.00 0.00 0.00 23.12 23.33 2k9s s ALA 97 CO 0.00 -0.06 1.10 -1.54 0.00 0.00 0.00 175.76 175.26 2k9s s SER 98 N -1.30 3.13 0.29 0.00 1.04 -1.26 -4.03 113.70 111.57 2k9s s SER 98 Ca -0.11 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.23 2k9s s SER 98 Cb -0.09 -2.42 0.43 0.00 0.10 0.00 0.00 66.02 64.04 2k9s s SER 98 CO -0.00 -2.91 1.68 1.55 0.98 0.00 0.00 173.24 174.54 2k9s h PRO 99 N -1.73 0.19 -0.22 4.02 0.13 -1.90 -2.61 132.00 129.87 2k9s h PRO 99 Ca -0.47 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.62 -0.28 0.77 -0.23 0.00 0.00 178.00 179.37 2k9s h SER 100 N 0.16 0.44 -0.02 1.44 0.02 -1.98 -0.80 113.55 112.80 2k9s h SER 100 Ca 0.01 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2k9s h SER 100 Cb 0.89 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2k9s h SER 100 CO 0.07 0.71 -0.21 -0.08 -1.14 0.00 0.00 176.83 176.18 2k9s h GLU 101 N 0.38 0.17 -0.41 3.45 4.81 -1.90 -2.49 114.58 118.60 2k9s h GLU 101 Ca 0.05 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2k9s h GLU 101 Cb 0.69 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2k9s h GLU 101 CO 0.05 0.86 0.22 0.35 -0.73 0.00 0.00 179.01 179.76 2k9s h PHE 102 N -0.45 0.56 -0.04 0.92 3.57 -1.44 -0.03 116.94 120.03 2k9s h PHE 102 Ca -0.02 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2k9s h PHE 102 Cb 0.92 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2k9s h PHE 102 CO 0.16 0.44 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.42 2k9s h ARG 103 N 0.52 0.06 0.04 1.11 2.43 -1.23 -2.54 114.38 114.77 2k9s h ARG 103 Ca 0.14 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 2k9s h ARG 103 Cb 0.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2k9s h ARG 103 CO -0.02 0.24 -1.02 0.00 -1.51 0.00 0.00 179.97 177.65 2k9s h ALA 104 N 1.77 0.29 0.00 2.80 0.00 -0.93 -3.48 119.26 119.71 2k9s h ALA 104 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2k9s h ALA 104 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k9s h ALA 104 CO 0.02 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2k9s n GLY 105 N 1.10 0.66 3.69 0.00 0.00 -0.08 -5.02 105.19 105.55 2k9s n GLY 105 Ca -0.07 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32