#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 6.90 0.21 3.17 2.15 -1.26 -4.88 116.67 122.96 2k9s s ASP 2 Ca 0.00 1.80 -0.09 0.00 0.43 0.00 0.00 52.55 54.69 2k9s s ASP 2 Cb 0.00 -2.56 0.28 0.00 -0.30 0.00 0.00 42.92 40.34 2k9s s ASP 2 CO 0.00 -0.39 1.75 -1.13 -0.17 0.00 0.00 175.17 175.23 2k9s h ASN 3 N 2.18 0.27 -0.66 -0.34 -0.73 -2.04 0.26 115.58 114.52 2k9s h ASN 3 Ca -0.49 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 57.75 2k9s h ASN 3 Cb 1.19 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.79 2k9s h ASN 3 CO 0.62 0.16 0.39 0.03 -0.37 0.00 0.00 177.43 178.25 2k9s h ARG 4 N 0.44 0.90 -0.39 6.67 3.08 -2.01 -2.61 114.38 120.46 2k9s h ARG 4 Ca 0.31 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 2k9s h ARG 4 Cb 0.37 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2k9s h ARG 4 CO -0.30 0.65 -0.25 0.28 -1.07 0.00 0.00 179.97 179.28 2k9s h VAL 5 N 0.89 1.27 -0.76 2.04 2.07 -1.67 -2.90 116.25 117.19 2k9s h VAL 5 Ca 0.23 -1.38 0.15 0.00 0.82 0.00 0.00 66.70 66.52 2k9s h VAL 5 Cb -0.01 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2k9s h VAL 5 CO -0.04 0.46 0.51 0.03 0.02 0.00 0.00 177.57 178.54 2k9s h ARG 6 N 0.68 0.43 -0.75 1.57 3.08 -0.15 0.00 114.38 119.25 2k9s h ARG 6 Ca 0.09 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2k9s h ARG 6 Cb 0.77 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 2k9s h ARG 6 CO 0.06 0.29 0.36 1.49 -1.07 0.00 0.00 179.97 181.10 2k9s h GLU 7 N 0.44 1.07 -0.59 0.04 4.57 -1.34 -2.29 114.58 116.49 2k9s h GLU 7 Ca 0.37 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 2k9s h GLU 7 Cb 0.82 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 2k9s h GLU 7 CO -0.12 0.83 0.39 0.00 -1.18 0.00 0.00 179.01 178.92 2k9s h ALA 8 N 1.33 1.68 -0.47 2.92 0.00 -1.07 -1.39 119.26 122.26 2k9s h ALA 8 Ca 0.26 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2k9s h ALA 8 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2k9s h ALA 8 CO -0.03 0.26 0.31 0.00 0.00 0.00 0.00 179.25 179.79 2k9s h GLN 10 N 0.52 0.51 -0.06 0.00 5.75 -1.29 0.25 115.11 120.79 2k9s h GLN 10 Ca 0.19 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2k9s h GLN 10 Cb 0.10 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 2k9s h GLN 10 CO -0.05 0.45 -0.06 -0.92 -2.65 0.00 0.00 178.83 175.60 2k9s h TYR 11 N 0.43 0.18 -0.58 3.99 3.20 -1.42 -2.56 116.97 120.21 2k9s h TYR 11 Ca 0.12 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2k9s h TYR 11 Cb 0.11 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2k9s h TYR 11 CO -0.02 0.60 0.32 0.82 -1.64 0.00 0.00 178.16 178.24 2k9s h ILE 12 N -0.30 1.18 -0.56 1.81 2.04 -1.10 -2.24 117.51 118.34 2k9s h ILE 12 Ca 0.01 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2k9s h ILE 12 Cb 0.57 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2k9s h ILE 12 CO 0.02 0.20 0.09 -1.28 0.00 0.00 0.00 178.15 177.17 2k9s h SER 13 N 0.81 0.89 0.48 1.72 0.87 -0.47 -0.29 113.55 117.55 2k9s h SER 13 Ca 0.21 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2k9s h SER 13 Cb 0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2k9s h SER 13 CO -0.03 0.92 -0.20 -0.78 -0.53 0.00 0.00 176.83 176.21 2k9s h ASP 14 N 0.82 0.00 -0.43 6.23 3.58 -1.01 -2.22 116.42 123.39 2k9s h ASP 14 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k9s h ASP 14 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2k9s h ASP 14 CO 0.01 0.20 0.00 1.41 -2.88 0.00 0.00 179.24 177.98 2k9s n HIS 15 N -3.70 1.31 0.25 0.28 8.25 -0.89 -4.54 115.22 116.18 2k9s n HIS 15 Ca -0.01 -0.75 0.15 0.00 -0.26 0.00 0.00 57.72 56.85 2k9s n HIS 15 Cb 0.32 -0.33 0.85 0.00 1.12 0.00 0.00 29.99 31.95 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 2.84 0.00 0.00 2.41 5.85 -0.41 -0.31 115.31 125.69 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 1.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2k9s h LEU 16 CO 0.28 0.00 -1.35 0.00 -0.34 0.00 0.00 178.44 177.03 2k9s n ALA 17 N -2.36 2.50 -1.76 1.25 0.00 -1.26 -4.49 120.51 114.39 2k9s n ALA 17 Ca -0.01 -0.37 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 2k9s n ALA 17 Cb 0.18 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -5.20 5.69 -0.15 0.00 2.15 -0.13 -4.66 116.67 114.37 2k9s s ASP 18 Ca -0.03 2.68 -0.26 0.00 0.43 0.00 0.00 52.55 55.36 2k9s s ASP 18 Cb 0.10 -2.63 -0.23 0.00 -0.30 0.00 0.00 42.92 39.86 2k9s s ASP 18 CO 0.82 -1.28 0.62 0.77 -0.17 0.00 0.00 175.17 175.94 2k9s h SER 19 N 1.87 0.00 -2.91 -0.34 4.64 -1.92 -3.43 113.55 111.46 2k9s h SER 19 Ca -0.50 -0.86 -0.55 0.00 -0.47 0.00 0.00 61.79 59.41 2k9s h SER 19 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 2k9s h SER 19 CO 0.59 1.08 1.10 0.21 -0.87 0.00 0.00 176.83 178.94 2k9s s ASN 20 N -6.32 6.16 -0.28 4.97 3.84 -1.26 -4.97 114.94 117.07 2k9s s ASN 20 Ca -0.20 0.41 0.02 0.00 0.21 0.00 0.00 52.86 53.30 2k9s s ASN 20 Cb -0.01 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.21 2k9s s ASN 20 CO 0.64 -1.66 -0.06 0.12 -2.79 0.00 0.00 177.10 173.35 2k9s s PHE 21 N 5.99 3.31 -0.10 0.43 5.36 -1.26 -5.10 117.98 126.61 2k9s s PHE 21 Ca 0.55 -2.26 0.03 0.00 -0.96 0.00 0.00 56.93 54.29 2k9s s PHE 21 Cb -0.11 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2k9s s PHE 21 CO 0.27 -0.87 -0.18 0.16 -1.46 0.00 0.00 175.22 173.14 2k9s s ASP 22 N 1.14 3.63 0.50 6.13 -4.77 -1.26 -5.00 116.67 117.04 2k9s s ASP 22 Ca -0.06 -0.39 0.28 0.00 -3.30 0.00 0.00 52.55 49.08 2k9s s ASP 22 Cb -0.20 -1.29 1.22 0.00 -1.09 0.00 0.00 42.92 41.56 2k9s s ASP 22 CO -0.04 0.21 1.95 -0.29 0.70 0.00 0.00 175.17 177.69 2k9s h ILE 23 N 5.23 0.37 -0.55 2.11 2.10 -2.00 -3.04 117.51 121.73 2k9s h ILE 23 Ca -0.29 -0.78 0.03 0.00 1.08 0.00 0.00 64.86 64.90 2k9s h ILE 23 Cb 1.20 1.57 -0.04 0.00 -1.09 0.00 0.00 36.82 38.47 2k9s h ILE 23 CO 0.51 0.13 0.33 0.00 -1.08 0.00 0.00 178.15 178.04 2k9s h ALA 24 N 1.87 0.71 -0.07 0.18 0.00 -1.96 -0.55 119.26 119.44 2k9s h ALA 24 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2k9s h ALA 24 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k9s h ALA 24 CO 0.02 0.05 -0.38 1.03 0.00 0.00 0.00 179.25 179.97 2k9s h SER 25 N 0.66 0.14 -0.30 0.00 0.87 -1.96 -2.19 113.55 110.76 2k9s h SER 25 Ca 0.22 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 2k9s h SER 25 Cb 0.02 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2k9s h SER 25 CO -0.10 0.51 -0.30 0.58 -0.53 0.00 0.00 176.83 176.99 2k9s h VAL 26 N 0.12 1.30 -0.47 2.23 2.07 -1.40 -2.56 116.25 117.54 2k9s h VAL 26 Ca 0.01 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 2k9s h VAL 26 Cb 0.73 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2k9s h VAL 26 CO 0.05 0.47 -0.05 0.00 0.02 0.00 0.00 177.57 178.07 2k9s h ALA 27 N 0.71 0.64 -0.65 1.67 0.00 -0.99 -2.95 119.26 117.68 2k9s h ALA 27 Ca 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k9s h ALA 27 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2k9s h ALA 27 CO 0.08 0.49 0.35 0.37 0.00 0.00 0.00 179.25 180.54 2k9s h GLN 28 N 0.71 0.90 -0.59 0.00 4.15 -1.27 0.12 115.11 119.13 2k9s h GLN 28 Ca 0.13 -0.10 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2k9s h GLN 28 Cb 0.58 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 2k9s h GLN 28 CO 0.03 0.67 0.39 1.25 -1.93 0.00 0.00 178.83 179.24 2k9s h HIS 29 N 0.91 0.58 -0.54 3.99 2.76 -1.28 0.16 115.15 121.74 2k9s h HIS 29 Ca 0.23 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2k9s h HIS 29 Cb 0.03 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 2k9s h HIS 29 CO 0.01 0.32 0.02 1.33 -1.30 0.00 0.00 177.93 178.30 2k9s n VAL 30 N -4.47 2.54 -3.50 5.26 0.24 -0.75 -4.91 118.33 112.74 2k9s n VAL 30 Ca 0.08 -1.29 -0.26 0.00 -2.04 0.00 0.00 64.34 60.84 2k9s n VAL 30 Cb 0.22 -0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.29 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 -6.74 2.07 0.56 0.00 0.20 0.34 -5.00 118.68 110.12 2k9s s LEU 32 Ca 0.47 -1.17 -0.09 0.00 0.69 0.00 0.00 54.13 54.03 2k9s s LEU 32 Cb -0.24 0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.51 2k9s s LEU 32 CO 0.58 -0.60 0.94 -0.44 -0.29 0.00 0.00 176.35 176.54 2k9s s SER 33 N -3.13 6.27 0.20 3.68 0.01 -1.26 -2.92 113.70 116.55 2k9s s SER 33 Ca 0.23 1.25 -0.03 0.00 1.31 0.00 0.00 55.95 58.71 2k9s s SER 33 Cb 0.06 -2.39 0.16 0.00 0.21 0.00 0.00 66.02 64.06 2k9s s SER 33 CO 0.03 -0.74 1.56 1.55 0.41 0.00 0.00 173.24 176.04 2k9s h PRO 34 N -0.03 0.62 -0.19 12.44 0.13 -1.89 -0.14 132.00 142.95 2k9s h PRO 34 Ca -0.45 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 64.31 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 0.93 -0.02 1.03 -0.23 0.00 0.00 178.00 180.33 2k9s h SER 35 N 0.51 0.36 -0.14 1.44 0.87 -1.96 0.25 113.55 114.87 2k9s h SER 35 Ca 0.04 -0.34 -0.19 0.00 -1.23 0.00 0.00 61.79 60.07 2k9s h SER 35 Cb 0.95 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2k9s h SER 35 CO 0.09 0.61 -0.61 0.03 -0.53 0.00 0.00 176.83 176.42 2k9s h ARG 36 N 0.10 0.75 -0.23 2.24 2.47 -1.96 -2.46 114.38 115.29 2k9s h ARG 36 Ca 0.05 -0.51 -0.08 0.00 -1.26 0.00 0.00 59.98 58.19 2k9s h ARG 36 Cb 0.44 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2k9s h ARG 36 CO 0.01 1.13 -0.15 1.25 0.56 0.00 0.00 179.97 182.77 2k9s h LEU 37 N 0.56 0.53 -0.85 3.04 5.85 -0.99 -2.75 115.31 120.70 2k9s h LEU 37 Ca -0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2k9s h LEU 37 Cb 1.20 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2k9s h LEU 37 CO 0.13 0.85 0.52 -1.28 -0.34 0.00 0.00 178.44 178.32 2k9s h SER 38 N 0.21 1.01 -0.17 1.25 0.87 -0.54 0.25 113.55 116.43 2k9s h SER 38 Ca 0.05 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2k9s h SER 38 Cb 0.67 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2k9s h SER 38 CO 0.04 0.77 0.09 -0.74 -0.53 0.00 0.00 176.83 176.46 2k9s h HIS 39 N 1.16 0.17 -0.04 2.24 -0.00 -1.40 -2.21 115.15 115.07 2k9s h HIS 39 Ca 0.31 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.55 2k9s h HIS 39 Cb -0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 2k9s h HIS 39 CO -0.00 0.10 -0.57 -0.07 -0.00 0.00 0.00 177.93 177.39 2k9s h LEU 40 N 0.20 0.15 -0.10 0.26 3.38 -1.19 -2.92 115.31 115.08 2k9s h LEU 40 Ca 0.07 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2k9s h LEU 40 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2k9s h LEU 40 CO -0.04 0.68 -0.04 0.15 0.09 0.00 0.00 178.44 179.29 2k9s h PHE 41 N 0.10 -0.08 0.00 1.13 3.04 -0.06 0.38 116.94 121.45 2k9s h PHE 41 Ca -0.00 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 2k9s h PHE 41 Cb 1.04 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 2k9s h PHE 41 CO 0.01 -0.06 -0.22 -0.09 -2.02 0.00 0.00 178.31 175.93 2k9s h ARG 42 N -0.02 0.00 0.12 1.11 1.12 -1.41 0.43 114.38 115.72 2k9s h ARG 42 Ca 0.05 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.65 2k9s h ARG 42 Cb 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.09 2k9s h ARG 42 CO -0.11 0.22 -1.14 0.37 -3.11 0.00 0.00 179.97 176.20 2k9s h GLN 43 N 0.00 0.57 0.22 0.20 4.15 -1.12 0.50 115.11 119.64 2k9s h GLN 43 Ca -0.00 -0.77 -0.33 0.00 0.77 0.00 0.00 58.65 58.32 2k9s h GLN 43 Cb 0.59 0.26 0.03 0.00 0.21 0.00 0.00 27.48 28.56 2k9s h GLN 43 CO 0.03 1.34 -1.53 1.96 -1.93 0.00 0.00 178.83 178.70 2k9s h GLN 44 N 0.15 0.47 0.00 1.69 1.08 -0.11 -3.31 115.11 115.08 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 1.84 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 29.57 2k9s h GLN 44 CO 0.22 1.38 -0.71 1.25 -0.95 0.00 0.00 178.83 180.02 2k9s h LEU 45 N 0.13 0.00 0.00 1.46 6.46 -0.27 -3.38 115.31 119.70 2k9s h LEU 45 Ca -0.27 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2k9s h LEU 45 Cb 2.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.06 2k9s h LEU 45 CO 0.24 0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.74 2k9s n GLY 46 N 1.27 0.24 3.52 3.75 0.00 0.18 -4.93 105.19 109.21 2k9s n GLY 46 Ca 0.02 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 -1.55 0.00 0.39 -0.61 -4.36 -1.14 -4.96 121.20 108.97 2k9s s ILE 47 Ca 0.00 -1.52 -0.24 0.00 -0.26 0.00 0.00 60.65 58.63 2k9s s ILE 47 Cb 0.00 -2.32 -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 -0.94 0.24 0.00 0.00 174.94 175.24 2k9s s SER 48 N -3.07 6.92 0.33 4.36 1.04 -1.26 -3.84 113.70 118.19 2k9s s SER 48 Ca 0.26 1.92 0.07 0.00 0.48 0.00 0.00 55.95 58.67 2k9s s SER 48 Cb 0.00 -2.57 0.74 0.00 0.10 0.00 0.00 66.02 64.29 2k9s s SER 48 CO 0.11 -0.37 1.85 -0.37 0.98 0.00 0.00 173.24 175.44 2k9s h VAL 49 N 2.22 0.85 -0.71 5.02 -1.51 -1.94 0.22 116.25 120.39 2k9s h VAL 49 Ca -0.48 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 64.68 2k9s h VAL 49 Cb 1.20 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2k9s h VAL 49 CO 0.63 0.14 0.30 -0.07 -1.23 0.00 0.00 177.57 177.34 2k9s h LEU 50 N 0.78 0.95 -0.13 4.19 4.07 -2.00 -1.62 115.31 121.56 2k9s h LEU 50 Ca 0.47 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 58.15 2k9s h LEU 50 Cb 0.68 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 42.18 2k9s h LEU 50 CO -0.24 0.84 -0.53 -1.28 -1.08 0.00 0.00 178.44 176.15 2k9s h SER 51 N 1.03 0.69 -0.78 -0.43 0.87 -1.42 -2.98 113.55 110.53 2k9s h SER 51 Ca 0.24 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2k9s h SER 51 Cb 0.17 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 2k9s h SER 51 CO -0.02 1.20 0.50 -0.25 -0.53 0.00 0.00 176.83 177.72 2k9s h TRP 52 N 0.22 0.93 -0.27 2.24 7.01 -0.87 0.15 115.95 125.36 2k9s h TRP 52 Ca -0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2k9s h TRP 52 Cb 1.16 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 2k9s h TRP 52 CO 0.10 0.53 0.17 -0.09 -2.79 0.00 0.00 178.44 176.36 2k9s h ARG 53 N 0.97 0.37 -0.21 2.65 2.43 -1.32 -0.70 114.38 118.57 2k9s h ARG 53 Ca 0.31 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2k9s h ARG 53 Cb 0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2k9s h ARG 53 CO -0.11 0.28 0.00 1.49 -1.51 0.00 0.00 179.97 180.12 2k9s h GLU 54 N 0.35 0.36 -0.64 0.20 4.81 -1.30 -0.81 114.58 117.56 2k9s h GLU 54 Ca 0.10 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2k9s h GLU 54 Cb 0.00 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2k9s h GLU 54 CO -0.02 0.55 0.32 0.22 -0.73 0.00 0.00 179.01 179.35 2k9s h ASP 55 N 0.13 0.43 -0.01 1.04 3.58 -0.57 -0.62 116.42 120.39 2k9s h ASP 55 Ca 0.06 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 2k9s h ASP 55 Cb 0.39 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2k9s h ASP 55 CO 0.01 0.27 -0.41 1.56 -2.88 0.00 0.00 179.24 177.79 2k9s h GLN 56 N 0.57 0.52 -0.32 0.28 1.08 -1.04 -2.17 115.11 114.04 2k9s h GLN 56 Ca 0.30 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2k9s h GLN 56 Cb 0.26 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2k9s h GLN 56 CO -0.22 0.85 0.14 0.00 -0.95 0.00 0.00 178.83 178.65 2k9s h ARG 57 N 0.43 0.47 -0.37 1.46 3.08 -0.17 0.23 114.38 119.51 2k9s h ARG 57 Ca 0.04 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2k9s h ARG 57 Cb 0.91 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2k9s h ARG 57 CO 0.08 0.45 -0.00 0.82 -1.07 0.00 0.00 179.97 180.25 2k9s h ILE 58 N 0.38 1.26 -0.05 2.04 1.08 -1.11 -2.10 117.51 119.00 2k9s h ILE 58 Ca 0.11 -1.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.50 2k9s h ILE 58 Cb 0.15 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2k9s h ILE 58 CO -0.01 0.33 -0.36 -1.28 -0.69 0.00 0.00 178.15 176.14 2k9s h SER 59 N 0.48 0.11 -0.27 1.72 0.87 -1.27 -2.95 113.55 112.23 2k9s h SER 59 Ca 0.10 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2k9s h SER 59 Cb 0.47 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2k9s h SER 59 CO 0.02 0.47 -0.16 -0.61 -0.53 0.00 0.00 176.83 176.02 2k9s h GLN 60 N 0.09 0.59 -0.72 2.24 5.75 -0.33 -1.39 115.11 121.35 2k9s h GLN 60 Ca 0.01 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 2k9s h GLN 60 Cb 0.69 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.18 2k9s h GLN 60 CO 0.05 0.85 0.44 0.00 -2.65 0.00 0.00 178.83 177.52 2k9s h ALA 61 N 0.73 0.95 -0.10 3.38 0.00 -1.25 0.59 119.26 123.57 2k9s h ALA 61 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2k9s h ALA 61 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k9s h ALA 61 CO 0.05 0.18 -0.56 0.87 0.00 0.00 0.00 179.25 179.79 2k9s h LYS 62 N 0.83 0.29 0.00 0.00 1.57 -1.48 -0.37 116.57 117.42 2k9s h LYS 62 Ca 0.30 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2k9s h LYS 62 Cb 0.09 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2k9s h LYS 62 CO -0.14 0.77 -0.00 1.25 -0.57 0.00 0.00 179.45 180.76 2k9s h LEU 63 N 0.23 -0.00 -0.58 2.94 5.85 -0.46 -2.23 115.31 121.05 2k9s h LEU 63 Ca 0.00 -0.39 -0.14 0.00 0.84 0.00 0.00 57.88 58.19 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 -0.37 0.17 -0.34 0.00 0.00 178.44 178.38 2k9s h LEU 64 N -0.40 0.76 -1.84 2.25 8.10 -0.94 -2.84 115.31 120.41 2k9s h LEU 64 Ca -0.00 -0.33 -0.02 0.00 0.11 0.00 0.00 57.88 57.63 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 1.05 -0.12 -0.07 -4.11 0.00 0.00 178.44 175.20 2k9s h LEU 65 N 0.60 0.00 -0.66 0.17 3.38 -1.07 0.31 115.31 118.04 2k9s h LEU 65 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k9s h LEU 65 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2k9s h LEU 65 CO 0.08 0.12 -0.09 -1.28 0.09 0.00 0.00 178.44 177.36 2k9s h SER 66 N 0.00 0.00 -0.03 -0.43 0.87 -1.15 -3.08 113.55 109.72 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 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k9s h SER 66 CO 0.02 0.09 0.00 1.07 -0.53 0.00 0.00 176.83 177.48 2k9s n THR 67 N -3.16 0.06 -4.27 2.23 5.66 -0.40 -5.01 114.28 109.39 2k9s n THR 67 Ca 0.02 -0.53 -0.15 0.00 -3.05 0.00 0.00 64.05 60.34 2k9s n THR 67 Cb 0.46 1.20 -0.10 0.00 -1.55 0.00 0.00 70.33 70.34 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 -0.97 0.85 -0.09 1.09 -4.23 0.95 -5.05 115.64 108.19 2k9s s THR 68 Ca 0.14 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 58.78 2k9s s THR 68 Cb 0.10 -2.17 0.21 0.00 1.34 0.00 0.00 72.50 71.98 2k9s s THR 68 CO 0.15 -0.45 1.10 -2.11 -0.54 0.00 0.00 174.62 172.76 2k9s n ARG 69 N -0.30 1.37 -1.52 3.99 0.00 -1.26 -4.68 116.66 114.27 2k9s n ARG 69 Ca -0.06 -2.21 -0.33 0.00 -0.00 0.00 0.00 57.85 55.24 2k9s n ARG 69 Cb 0.63 -1.30 0.08 0.00 -0.00 0.00 0.00 32.46 31.86 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 -2.25 2.39 0.93 2.89 -1.94 -1.26 -5.01 119.30 115.05 2k9s s MET 70 Ca 0.23 1.49 -0.12 0.00 -1.71 0.00 0.00 55.69 55.59 2k9s s MET 70 Cb 0.20 -1.89 0.15 0.00 2.01 0.00 0.00 34.83 35.30 2k9s s MET 70 CO 0.02 -1.58 1.09 -1.25 -0.01 0.00 0.00 175.02 173.29 2k9s s PRO 71 N -4.17 1.00 0.44 2.03 0.04 -1.26 -4.78 135.00 128.30 2k9s s PRO 71 Ca 0.68 0.73 0.13 0.00 0.04 0.00 0.00 61.00 62.58 2k9s s PRO 71 Cb -0.23 -1.79 0.99 0.00 0.04 0.00 0.00 34.50 33.51 2k9s s PRO 71 CO 0.46 -2.39 2.01 0.82 0.04 0.00 0.00 177.00 177.93 2k9s h ILE 72 N -1.65 1.11 -0.20 0.56 2.04 -1.97 -1.07 117.51 116.33 2k9s h ILE 72 Ca -0.51 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2k9s h ILE 72 Cb 1.30 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2k9s h ILE 72 CO 0.55 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.91 2k9s h ALA 73 N 1.80 0.27 -0.18 1.87 0.00 -1.92 -1.55 119.26 119.56 2k9s h ALA 73 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2k9s h ALA 73 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k9s h ALA 73 CO 0.01 -0.09 -0.20 1.15 0.00 0.00 0.00 179.25 180.12 2k9s h THR 74 N 0.14 1.34 -0.97 0.00 2.02 -1.85 -3.16 112.91 110.43 2k9s h THR 74 Ca 0.06 -1.38 0.08 0.00 0.77 0.00 0.00 66.41 65.95 2k9s h THR 74 Cb 0.27 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 2k9s h THR 74 CO 0.00 0.42 0.61 0.58 0.37 0.00 0.00 175.52 177.50 2k9s h VAL 75 N 0.11 1.01 -0.64 3.16 2.07 -1.20 -2.09 116.25 118.67 2k9s h VAL 75 Ca 0.03 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2k9s h VAL 75 Cb 0.75 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2k9s h VAL 75 CO 0.05 0.19 0.35 1.23 0.02 0.00 0.00 177.57 179.41 2k9s h GLY 76 N 1.05 0.94 1.25 2.17 0.00 -1.25 -1.41 103.07 105.83 2k9s h GLY 76 Ca 0.44 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.59 2k9s h GLY 76 CO -0.21 0.15 0.35 3.21 0.00 0.00 0.00 176.54 180.04 2k9s h ARG 77 N 0.66 0.45 -0.18 4.80 2.47 -0.50 0.47 114.38 122.55 2k9s h ARG 77 Ca 0.29 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 2k9s h ARG 77 Cb 0.18 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2k9s h ARG 77 CO -0.18 0.29 0.05 -0.91 0.56 0.00 0.00 179.97 179.78 2k9s h ASN 78 N 0.46 0.22 -0.61 7.04 2.35 -1.15 -0.94 115.58 122.94 2k9s h ASN 78 Ca 0.23 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2k9s h ASN 78 Cb 0.32 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2k9s h ASN 78 CO -0.06 0.22 0.00 1.33 -1.65 0.00 0.00 177.43 177.27 2k9s n VAL 79 N -4.44 2.27 -0.96 2.81 0.24 -0.20 -4.75 118.33 113.29 2k9s n VAL 79 Ca -0.00 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 2k9s n VAL 79 Cb 0.13 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.90 0.89 3.63 7.63 0.00 -0.36 -4.87 105.19 113.02 2k9s n GLY 80 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.66 3.19 0.02 1.61 0.40 0.15 -4.90 117.98 114.80 2k9s s PHE 81 Ca 0.00 1.02 0.07 0.00 -0.60 0.00 0.00 56.93 57.42 2k9s s PHE 81 Cb 0.00 -3.42 -0.23 0.00 0.51 0.00 0.00 43.02 39.88 2k9s s PHE 81 CO 0.00 -0.64 0.91 0.22 0.70 0.00 0.00 175.22 176.41 2k9s h ASP 82 N 8.06 0.09 -3.61 1.36 3.58 -1.93 -1.26 116.42 122.71 2k9s h ASP 82 Ca -0.22 -0.14 -0.63 0.00 0.42 0.00 0.00 57.03 56.46 2k9s h ASP 82 Cb 1.08 -0.03 -0.14 0.00 1.72 0.00 0.00 39.33 41.96 2k9s h ASP 82 CO 0.95 1.12 -0.05 -1.81 -2.88 0.00 0.00 179.24 176.57 2k9s s ASP 83 N -6.52 6.38 0.20 2.28 1.01 -1.26 -4.91 116.67 113.84 2k9s s ASP 83 Ca -0.04 0.33 -0.10 0.00 0.71 0.00 0.00 52.55 53.46 2k9s s ASP 83 Cb 0.08 -2.27 0.12 0.00 1.01 0.00 0.00 42.92 41.87 2k9s s ASP 83 CO 0.83 -0.33 1.76 -0.61 0.21 0.00 0.00 175.17 177.02 2k9s h GLN 84 N 8.17 1.06 -0.11 8.23 4.15 -1.86 -2.52 115.11 132.22 2k9s h GLN 84 Ca -0.29 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 58.83 2k9s h GLN 84 Cb 1.14 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2k9s h GLN 84 CO 0.72 0.87 -0.41 -0.07 -1.93 0.00 0.00 178.83 178.01 2k9s h LEU 85 N 1.02 0.27 -0.16 -2.39 3.38 -1.93 -2.89 115.31 112.60 2k9s h LEU 85 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k9s h LEU 85 Cb 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k9s h LEU 85 CO -0.02 0.66 0.11 0.22 0.09 0.00 0.00 178.44 179.49 2k9s h TYR 86 N 0.21 0.20 -0.30 1.13 3.20 -1.87 0.31 116.97 119.85 2k9s h TYR 86 Ca 0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2k9s h TYR 86 Cb 0.82 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2k9s h TYR 86 CO 0.02 0.13 0.17 0.35 -1.64 0.00 0.00 178.16 177.18 2k9s h PHE 87 N 0.22 0.42 -0.44 -3.82 3.57 -1.44 -1.55 116.94 113.89 2k9s h PHE 87 Ca 0.06 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2k9s h PHE 87 Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2k9s h PHE 87 CO -0.07 0.34 -0.02 0.77 -2.23 0.00 0.00 178.31 177.10 2k9s h SER 88 N 0.37 0.70 0.16 0.41 0.02 -1.31 0.29 113.55 114.19 2k9s h SER 88 Ca 0.11 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2k9s h SER 88 Cb 0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k9s h SER 88 CO -0.02 0.79 -0.07 0.03 -1.14 0.00 0.00 176.83 176.41 2k9s h ARG 89 N 0.68 -0.20 -0.29 3.45 3.08 -0.05 0.32 114.38 121.38 2k9s h ARG 89 Ca 0.13 0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 2k9s h ARG 89 Cb 0.45 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k9s h ARG 89 CO 0.02 -0.02 -0.54 -0.24 -1.07 0.00 0.00 179.97 178.12 2k9s h VAL 90 N -0.34 1.28 -0.38 2.04 3.04 -1.21 -3.13 116.25 117.54 2k9s h VAL 90 Ca -0.02 -1.73 -0.08 0.00 -1.01 0.00 0.00 66.70 63.86 2k9s h VAL 90 Cb 0.27 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2k9s h VAL 90 CO 0.04 0.56 -0.10 0.15 -1.01 0.00 0.00 177.57 177.21 2k9s h PHE 91 N 0.66 0.72 -0.30 3.17 3.57 -0.37 -0.70 116.94 123.69 2k9s h PHE 91 Ca 0.02 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.43 2k9s h PHE 91 Cb 1.14 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2k9s h PHE 91 CO 0.07 0.74 0.10 -0.22 -2.23 0.00 0.00 178.31 176.76 2k9s h LYS 92 N 0.61 0.22 0.00 1.11 3.64 -0.31 -1.97 116.57 119.88 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 0.53 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2k9s h LYS 92 CO 0.03 0.14 -0.45 0.87 -2.27 0.00 0.00 179.45 177.77 2k9s h LYS 93 N 0.22 0.00 -0.03 1.90 1.57 -1.50 0.76 116.57 119.49 2k9s h LYS 93 Ca 0.13 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2k9s h LYS 93 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2k9s h LYS 93 CO -0.14 0.45 -0.02 0.00 -0.57 0.00 0.00 179.45 179.18 2k9s n THR 95 N -5.12 0.00 -0.02 0.00 -2.24 -0.91 -4.98 114.28 101.01 2k9s n THR 95 Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k9s n THR 95 Cb 0.06 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.65 3.01 3.38 0.00 0.24 -5.04 105.19 108.81 2k9s n GLY 96 Ca 0.03 0.00 -0.11 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 0.92 4.61 0.00 0.30 -4.82 121.76 120.87 2k9s s ALA 97 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 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 -0.07 1.10 -1.54 0.00 0.00 0.00 175.76 175.25 2k9s s SER 98 N -1.35 3.12 0.29 0.00 1.04 -1.26 -4.00 113.70 111.52 2k9s s SER 98 Ca -0.11 1.82 0.07 0.00 0.48 0.00 0.00 55.95 58.21 2k9s s SER 98 Cb -0.09 -2.41 0.42 0.00 0.10 0.00 0.00 66.02 64.04 2k9s s SER 98 CO -0.00 -2.91 1.67 1.55 0.98 0.00 0.00 173.24 174.52 2k9s h PRO 99 N -1.74 0.20 -0.23 4.02 0.13 -1.90 -2.58 132.00 129.90 2k9s h PRO 99 Ca -0.48 -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 0.63 -0.27 1.03 -0.23 0.00 0.00 178.00 179.65 2k9s h SER 100 N 0.16 0.45 -0.02 1.44 0.87 -1.99 -1.86 113.55 112.61 2k9s h SER 100 Ca 0.01 -0.16 -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 0.71 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.80 2k9s h GLU 101 N 0.40 0.17 -0.90 2.24 4.57 -1.90 -3.06 114.58 116.09 2k9s h GLU 101 Ca 0.06 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2k9s h GLU 101 Cb 0.68 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 2k9s h GLU 101 CO 0.05 0.86 0.59 0.35 -1.18 0.00 0.00 179.01 179.68 2k9s h PHE 102 N -0.46 1.09 -0.66 0.92 3.57 -1.43 -1.71 116.94 118.25 2k9s h PHE 102 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2k9s h PHE 102 Cb 0.91 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2k9s h PHE 102 CO 0.16 0.62 0.29 0.00 -2.23 0.00 0.00 178.31 177.16 2k9s h ARG 103 N 1.12 0.95 -0.59 1.11 3.08 -1.39 -2.36 114.38 116.30 2k9s h ARG 103 Ca 0.36 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 2k9s h ARG 103 Cb 0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2k9s h ARG 103 CO -0.11 0.76 0.29 0.00 -1.07 0.00 0.00 179.97 179.84 2k9s h ALA 104 N 1.38 1.40 0.00 0.04 0.00 -1.20 -3.46 119.26 117.41 2k9s h ALA 104 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k9s h ALA 104 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k9s h ALA 104 CO -0.03 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2k9s n GLY 105 N -1.18 1.87 3.67 0.00 0.00 -0.89 -5.01 105.19 103.65 2k9s n GLY 105 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2k9s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32