#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5c s ALA 9 N 0.00 2.83 -0.02 3.04 0.00 -1.13 -4.96 121.76 121.52 2k5c s ALA 9 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.09 2k5c s ALA 9 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2k5c s ALA 9 CO 0.00 0.57 -0.20 0.15 0.00 0.00 0.00 175.76 176.27 2k5c s LYS 10 N -0.78 1.72 -0.15 0.00 1.02 -1.26 -0.45 119.74 119.84 2k5c s LYS 10 Ca 0.12 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2k5c s LYS 10 Cb -0.11 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.56 2k5c s LYS 10 CO 0.01 0.41 1.19 0.00 -0.92 0.00 0.00 175.35 176.04 2k5c n PRO 12 N 6.13 0.27 -0.10 0.00 -0.04 -1.26 -1.34 135.00 138.66 2k5c n PRO 12 Ca 0.13 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.51 2k5c n PRO 12 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 2k5c n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k5c n ILE 13 N -1.30 1.50 -0.12 0.52 5.41 -1.26 -4.82 119.36 119.29 2k5c n ILE 13 Ca 0.10 -0.03 -0.16 0.00 1.00 0.00 0.00 62.75 63.65 2k5c n ILE 13 Cb 0.17 -2.17 -0.11 0.00 -0.71 0.00 0.00 39.64 36.82 2k5c n ILE 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k5c n GLY 15 N 2.32 1.23 3.87 0.00 0.00 -0.45 -5.04 105.19 107.12 2k5c n GLY 15 Ca -0.41 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 2k5c n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5c s SER 16 N -2.47 6.62 0.25 1.61 0.01 -1.26 -4.77 113.70 113.68 2k5c s SER 16 Ca 0.00 0.78 -0.30 0.00 1.31 0.00 0.00 55.95 57.75 2k5c s SER 16 Cb 0.00 -2.17 -0.10 0.00 0.21 0.00 0.00 66.02 63.96 2k5c s SER 16 CO 0.00 0.11 1.37 -2.84 0.41 0.00 0.00 173.24 172.29 2k5c s PRO 17 N -2.19 4.33 0.06 12.44 0.02 -1.26 -2.97 135.00 145.43 2k5c s PRO 17 Ca 0.37 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.68 2k5c s PRO 17 Cb -0.13 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2k5c s PRO 17 CO 0.20 -0.31 -0.25 -0.51 -0.33 0.00 0.00 177.00 175.80 2k5c s LEU 18 N -0.63 2.21 -0.20 -5.54 1.43 0.41 -5.01 118.68 111.34 2k5c s LEU 18 Ca 0.56 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 2k5c s LEU 18 Cb -0.40 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2k5c s LEU 18 CO 0.44 0.20 0.36 -0.75 0.23 0.00 0.00 176.35 176.83 2k5c s LYS 19 N -1.43 4.17 0.46 1.70 2.20 -1.26 -2.85 119.74 122.74 2k5c s LYS 19 Ca 0.11 0.14 0.24 0.00 -0.36 0.00 0.00 55.97 56.09 2k5c s LYS 19 Cb -0.10 -3.53 1.09 0.00 -1.51 0.00 0.00 37.83 33.79 2k5c s LYS 19 CO 0.03 -0.00 1.91 -1.49 -0.36 0.00 0.00 175.35 175.44 2k5c h TRP 20 N 7.32 0.00 -0.11 4.03 4.06 -1.97 -2.98 115.95 126.31 2k5c h TRP 20 Ca -0.37 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.46 2k5c h TRP 20 Cb 1.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 2k5c h TRP 20 CO 0.67 0.21 -0.45 0.93 -3.56 0.00 0.00 178.44 176.24 2k5c h GLU 21 N 0.00 0.27 0.03 0.49 5.08 -1.94 -3.00 114.58 115.51 2k5c h GLU 21 Ca -0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 2k5c h GLU 21 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k5c h GLU 21 CO 0.03 0.67 -0.99 0.93 -1.00 0.00 0.00 179.01 178.65 2k5c h GLU 22 N 0.22 0.29 -0.64 2.33 5.08 -1.90 -2.83 114.58 117.13 2k5c h GLU 22 Ca 0.01 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2k5c h GLU 22 Cb 0.89 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2k5c h GLU 22 CO 0.07 1.08 0.11 1.25 -1.00 0.00 0.00 179.01 180.52 2k5c h LEU 23 N 0.14 1.01 0.14 1.33 5.85 -1.52 -1.14 115.31 121.12 2k5c h LEU 23 Ca -0.08 -0.26 -0.30 0.00 0.84 0.00 0.00 57.88 58.08 2k5c h LEU 23 Cb 1.65 -0.27 0.03 0.00 0.37 0.00 0.00 40.66 42.44 2k5c h LEU 23 CO 0.16 1.01 -1.29 0.40 -0.34 0.00 0.00 178.44 178.38 2k5c h ILE 24 N 0.97 1.33 -0.19 4.05 1.08 -1.66 -2.97 117.51 120.12 2k5c h ILE 24 Ca 0.19 -2.64 -0.11 0.00 -0.39 0.00 0.00 64.86 61.92 2k5c h ILE 24 Cb 0.43 2.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 2k5c h ILE 24 CO 0.01 0.79 -0.35 -0.08 -0.69 0.00 0.00 178.15 177.83 2k5c h GLU 25 N 0.20 0.41 0.00 2.37 4.81 -1.50 -2.47 114.58 118.40 2k5c h GLU 25 Ca -0.19 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 2k5c h GLU 25 Cb 1.98 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 2k5c h GLU 25 CO 0.24 0.71 -0.45 0.93 -0.73 0.00 0.00 179.01 179.71 2k5c h GLU 26 N 0.35 0.00 -0.55 1.92 5.08 -1.34 -3.32 114.58 116.73 2k5c h GLU 26 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k5c h GLU 26 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k5c h GLU 26 CO 0.06 0.32 0.00 -0.12 -1.00 0.00 0.00 179.01 178.27 2k5c n MET 27 N -3.14 3.64 -0.59 2.33 1.56 -1.12 -4.45 117.12 115.35 2k5c n MET 27 Ca 0.02 -2.82 0.09 0.00 -0.27 0.00 0.00 57.70 54.72 2k5c n MET 27 Cb 0.67 -1.85 0.34 0.00 2.15 0.00 0.00 33.22 34.54 2k5c n MET 27 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2k5c n LEU 28 N 0.75 4.57 -0.54 -0.89 7.94 -0.94 -4.36 117.00 123.53 2k5c n LEU 28 Ca 0.24 -2.31 0.11 0.00 -1.11 0.00 0.00 56.01 52.94 2k5c n LEU 28 Cb 0.87 -0.57 0.39 0.00 0.53 0.00 0.00 43.42 44.64 2k5c n LEU 28 CO 0.22 0.78 0.78 2.30 -1.11 0.00 0.00 177.39 180.36 2k5c n ILE 29 N 1.09 0.20 -4.22 1.96 -5.35 -1.26 -4.90 119.36 106.88 2k5c n ILE 29 Ca 0.25 -0.34 -0.35 0.00 -0.27 0.00 0.00 62.75 62.04 2k5c n ILE 29 Cb 0.86 0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 39.03 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2k5c s ILE 30 N -1.80 4.62 -0.55 7.28 1.01 -1.26 -5.03 121.20 125.46 2k5c s ILE 30 Ca 0.32 -0.21 0.24 0.00 0.00 0.00 0.00 60.65 61.00 2k5c s ILE 30 Cb 0.17 -3.00 0.28 0.00 0.01 0.00 0.00 42.46 39.92 2k5c s ILE 30 CO 0.26 0.54 1.62 -0.33 0.00 0.00 0.00 174.94 177.03 2k5c h GLU 31 N 4.86 0.00 0.00 2.79 5.08 -1.97 -3.24 114.58 122.10 2k5c h GLU 31 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2k5c h GLU 31 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k5c h GLU 31 CO 0.57 0.00 -0.37 0.09 -1.00 0.00 0.00 179.01 178.30 2k5c n ASN 32 N -2.68 0.43 -0.23 1.42 4.13 -1.26 -4.19 115.26 112.88 2k5c n ASN 32 Ca 0.04 0.06 0.08 0.00 1.68 0.00 0.00 54.58 56.44 2k5c n ASN 32 Cb 0.49 -0.01 0.35 0.00 -1.54 0.00 0.00 39.78 39.06 2k5c n ASN 32 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2k5c h PHE 33 N 0.00 0.82 0.00 3.10 3.57 -1.93 -0.31 116.94 122.18 2k5c h PHE 33 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k5c h PHE 33 Cb 0.56 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2k5c h PHE 33 CO 0.00 0.39 -0.07 0.93 -2.23 0.00 0.00 178.31 177.34 2k5c h GLU 34 N 0.77 0.00 0.16 1.11 5.08 -1.82 0.16 114.58 120.04 2k5c h GLU 34 Ca 0.37 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.38 2k5c h GLU 34 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k5c h GLU 34 CO -0.14 0.07 -1.74 0.93 -1.00 0.00 0.00 179.01 177.13 2k5c h GLU 35 N 0.00 0.34 -0.22 2.33 5.08 -1.48 -3.36 114.58 117.27 2k5c h GLU 35 Ca -0.00 -0.58 -0.19 0.00 -1.00 0.00 0.00 59.36 57.59 2k5c h GLU 35 Cb 0.12 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k5c h GLU 35 CO 0.01 1.24 -0.59 0.82 -1.00 0.00 0.00 179.01 179.49 2k5c h ILE 36 N 0.09 1.29 0.00 3.13 2.04 -0.94 -3.28 117.51 119.84 2k5c h ILE 36 Ca -0.33 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2k5c h ILE 36 Cb 2.07 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 2k5c h ILE 36 CO 0.16 0.57 0.00 1.62 0.00 0.00 0.00 178.15 180.51 2k5c h VAL 37 N 0.53 0.00 0.00 1.67 3.04 -0.88 -2.74 116.25 117.87 2k5c h VAL 37 Ca -0.01 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2k5c h VAL 37 Cb 1.21 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2k5c h VAL 37 CO 0.13 0.00 -0.73 0.11 -1.01 0.00 0.00 177.57 176.07 2k5c h LYS 38 N 0.00 0.00 -4.36 4.17 1.57 -1.71 -3.46 116.57 112.79 2k5c h LYS 38 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2k5c h LYS 38 Cb 0.27 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.20 2k5c h LYS 38 CO 0.00 0.00 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.58 2k5c s ASP 39 N -5.20 3.56 0.37 0.86 1.01 -1.03 -5.03 116.67 111.21 2k5c s ASP 39 Ca 0.03 -1.02 0.05 0.00 0.71 0.00 0.00 52.55 52.32 2k5c s ASP 39 Cb 0.10 -1.14 0.74 0.00 1.01 0.00 0.00 42.92 43.63 2k5c s ASP 39 CO 0.75 -0.21 2.01 0.03 0.21 0.00 0.00 175.17 177.97 2k5c h ARG 40 N 7.99 0.70 -0.01 8.23 3.08 -1.88 -2.27 114.38 130.22 2k5c h ARG 40 Ca -0.21 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 2k5c h ARG 40 Cb 1.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2k5c h ARG 40 CO 0.43 0.47 -0.42 1.49 -1.07 0.00 0.00 179.97 180.86 2k5c h GLU 41 N 0.72 0.03 0.10 0.04 4.81 -1.96 -1.87 114.58 116.45 2k5c h GLU 41 Ca 0.23 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 59.17 2k5c h GLU 41 Cb 0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k5c h GLU 41 CO -0.06 0.45 -1.31 0.00 -0.73 0.00 0.00 179.01 177.36 2k5c h ARG 42 N 0.02 0.21 -0.06 1.92 3.08 -1.79 -3.27 114.38 114.50 2k5c h ARG 42 Ca -0.00 -0.37 -0.20 0.00 0.07 0.00 0.00 59.98 59.48 2k5c h ARG 42 Cb 0.76 0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.95 2k5c h ARG 42 CO 0.06 1.13 -0.73 0.35 -1.07 0.00 0.00 179.97 179.70 2k5c h PHE 43 N 0.06 0.86 -0.15 3.04 3.04 -1.36 -2.32 116.94 120.11 2k5c h PHE 43 Ca -0.15 -0.42 -0.07 0.00 3.98 0.00 0.00 57.97 61.30 2k5c h PHE 43 Cb 1.96 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.34 2k5c h PHE 43 CO 0.05 1.24 -0.23 -0.07 -2.02 0.00 0.00 178.31 177.28 2k5c h LEU 44 N 0.24 0.26 0.00 0.59 3.38 -1.51 -1.88 115.31 116.39 2k5c h LEU 44 Ca -0.07 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2k5c h LEU 44 Cb 1.39 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2k5c h LEU 44 CO 0.15 0.51 -0.67 0.00 0.09 0.00 0.00 178.44 178.51 2k5c h ALA 45 N 1.52 0.68 0.13 1.53 0.00 -1.66 -3.20 119.26 118.26 2k5c h ALA 45 Ca 0.04 -0.49 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2k5c h ALA 45 Cb 0.55 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k5c h ALA 45 CO 0.04 0.62 -1.24 0.37 0.00 0.00 0.00 179.25 179.04 2k5c h GLN 46 N 0.00 0.36 -0.21 0.00 5.75 -1.13 -2.93 115.11 116.95 2k5c h GLN 46 Ca -0.04 -0.56 -0.18 0.00 -0.15 0.00 0.00 58.65 57.72 2k5c h GLN 46 Cb 1.39 0.20 0.00 0.00 1.07 0.00 0.00 27.48 30.14 2k5c h GLN 46 CO 0.05 1.25 -0.56 0.28 -2.65 0.00 0.00 178.83 177.20 2k5c h VAL 47 N 0.12 1.30 0.00 2.39 2.07 -1.49 -1.89 116.25 118.75 2k5c h VAL 47 Ca -0.15 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 2k5c h VAL 47 Cb 1.94 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 2k5c h VAL 47 CO 0.21 0.56 -0.20 -0.33 0.02 0.00 0.00 177.57 177.83 2k5c h GLU 48 N 0.48 0.00 0.00 1.57 5.08 -1.68 -2.92 114.58 117.12 2k5c h GLU 48 Ca -0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 2k5c h GLU 48 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2k5c h GLU 48 CO 0.12 0.20 -1.83 0.39 -1.00 0.00 0.00 179.01 176.90 2k5c n GLU 49 N -3.38 0.65 -3.96 2.33 1.02 -1.11 -3.69 120.64 112.51 2k5c n GLU 49 Ca 0.00 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.85 2k5c n GLU 49 Cb 0.42 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2k5c n GLU 49 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2k5c s PHE 50 N -2.96 3.49 0.26 -0.32 0.08 -0.71 -5.02 117.98 112.79 2k5c s PHE 50 Ca -0.06 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 2k5c s PHE 50 Cb 0.09 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2k5c s PHE 50 CO 0.84 0.64 0.47 0.54 -0.10 0.00 0.00 175.22 177.60 2k5c s VAL 51 N -1.23 5.14 0.03 -0.44 0.11 -1.26 -3.56 120.40 119.19 2k5c s VAL 51 Ca 0.24 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2k5c s VAL 51 Cb -0.12 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.94 2k5c s VAL 51 CO 0.14 -0.30 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.08 2k5c s PHE 52 N -2.02 1.50 -0.05 1.54 0.08 0.38 -4.98 117.98 114.42 2k5c s PHE 52 Ca 0.40 -0.34 -0.13 0.00 0.12 0.00 0.00 56.93 56.98 2k5c s PHE 52 Cb -0.11 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 2k5c s PHE 52 CO 0.31 0.04 0.33 -1.59 -0.10 0.00 0.00 175.22 174.21 2k5c s LYS 53 N -0.98 3.85 -0.35 0.44 -2.85 -1.26 -0.19 119.74 118.41 2k5c s LYS 53 Ca 0.05 0.25 -0.16 0.00 -1.00 0.00 0.00 55.97 55.11 2k5c s LYS 53 Cb -0.08 -3.24 -0.01 0.00 -2.06 0.00 0.00 37.83 32.44 2k5c s LYS 53 CO 0.01 0.65 0.39 0.00 0.10 0.00 0.00 175.35 176.50 2k5c n PRO 55 N 5.45 0.32 -0.10 0.00 -0.04 -1.26 -1.17 135.00 138.20 2k5c n PRO 55 Ca -0.08 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 2k5c n PRO 55 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k5c h VAL 56 N 0.00 0.80 0.00 0.52 2.07 -1.97 -3.44 116.25 114.23 2k5c h VAL 56 Ca 0.00 -2.05 -0.39 0.00 0.82 0.00 0.00 66.70 65.09 2k5c h VAL 56 Cb 0.22 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2k5c h VAL 56 CO 0.00 0.27 -2.31 0.00 0.02 0.00 0.00 177.57 175.55 2k5c n GLY 58 N 1.64 0.96 3.88 0.00 0.00 -0.31 -5.08 105.19 106.27 2k5c n GLY 58 Ca -0.46 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2k5c n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5c s GLU 59 N -0.22 3.70 0.06 1.61 2.02 -1.26 -4.73 118.70 119.87 2k5c s GLU 59 Ca 0.00 0.07 -0.19 0.00 0.02 0.00 0.00 54.97 54.87 2k5c s GLU 59 Cb 0.00 -2.96 -0.06 0.00 0.10 0.00 0.00 34.13 31.20 2k5c s GLU 59 CO 0.00 0.54 0.56 -1.21 0.02 0.00 0.00 175.26 175.17 2k5c s GLU 60 N -2.10 4.19 0.05 1.61 2.02 -1.26 -2.53 118.70 120.68 2k5c s GLU 60 Ca 0.35 0.71 0.08 0.00 0.02 0.00 0.00 54.97 56.12 2k5c s GLU 60 Cb -0.13 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 2k5c s GLU 60 CO 0.19 0.61 -0.23 -0.59 0.02 0.00 0.00 175.26 175.27 2k5c s PHE 61 N -0.99 1.97 0.14 1.61 -0.71 0.73 -4.95 117.98 115.78 2k5c s PHE 61 Ca 0.29 -0.39 -0.03 0.00 -1.04 0.00 0.00 56.93 55.76 2k5c s PHE 61 Cb -0.19 -1.17 -0.05 0.00 -1.21 0.00 0.00 43.02 40.40 2k5c s PHE 61 CO 0.18 0.11 0.35 0.71 -1.34 0.00 0.00 175.22 175.23 2k5c s TYR 62 N -0.83 3.48 -1.08 3.49 2.02 -1.26 -0.47 117.35 122.70 2k5c s TYR 62 Ca 0.09 0.44 0.21 0.00 -0.37 0.00 0.00 57.07 57.44 2k5c s TYR 62 Cb -0.09 -1.92 0.94 0.00 -0.40 0.00 0.00 41.96 40.49 2k5c s TYR 62 CO 0.02 0.45 1.68 0.41 -1.57 0.00 0.00 175.55 176.54 2k5c n GLY 63 N -0.05 -1.18 0.14 0.71 0.00 -1.10 -2.95 105.19 100.76 2k5c n GLY 63 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2k5c n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k5c h LYS 64 N 0.00 0.00 -0.21 1.61 3.64 -1.78 -3.33 116.57 116.50 2k5c h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k5c h LYS 64 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2k5c h LYS 64 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 2k5c n THR 65 N -2.77 0.26 -3.25 1.00 -2.24 -1.15 -4.98 114.28 101.16 2k5c n THR 65 Ca 0.02 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 2k5c n THR 65 Cb 0.53 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.46 2k5c n THR 65 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k5c s LEU 66 N -1.64 4.27 0.72 3.22 1.02 -1.25 -5.02 118.68 119.99 2k5c s LEU 66 Ca 0.35 1.19 -0.15 0.00 0.02 0.00 0.00 54.13 55.54 2k5c s LEU 66 Cb 0.20 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.88 2k5c s LEU 66 CO 0.29 0.00 1.17 -2.16 0.02 0.00 0.00 176.35 175.67 2k5c s PRO 67 N -2.27 2.30 0.40 1.29 0.04 -1.26 -4.95 135.00 130.55 2k5c s PRO 67 Ca 0.44 1.60 0.11 0.00 0.04 0.00 0.00 61.00 63.18 2k5c s PRO 67 Cb -0.14 -1.87 0.85 0.00 0.04 0.00 0.00 34.50 33.38 2k5c s PRO 67 CO 0.20 -1.68 1.94 0.00 0.04 0.00 0.00 177.00 177.50 2k5c h ARG 68 N -0.31 0.19 -0.83 4.56 3.08 -1.99 -2.92 114.38 116.15 2k5c h ARG 68 Ca -0.47 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.59 2k5c h ARG 68 Cb 1.27 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 2k5c h ARG 68 CO 0.51 0.32 0.54 0.00 -1.07 0.00 0.00 179.97 180.27 2k5c h ARG 69 N 0.18 0.94 0.00 0.04 3.08 -2.01 -2.61 114.38 114.00 2k5c h ARG 69 Ca 0.04 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 2k5c h ARG 69 Cb 0.34 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2k5c h ARG 69 CO 0.02 0.62 -0.71 0.93 -1.07 0.00 0.00 179.97 179.76 2k5c h GLU 70 N 0.96 0.00 -0.12 0.04 5.08 -1.89 -3.29 114.58 115.36 2k5c h GLU 70 Ca 0.35 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 2k5c h GLU 70 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k5c h GLU 70 CO -0.12 0.71 -0.29 0.00 -1.00 0.00 0.00 179.01 178.31 2k5c h ALA 71 N 1.29 1.28 0.00 3.43 0.00 -1.39 -2.98 119.26 120.90 2k5c h ALA 71 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2k5c h ALA 71 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k5c h ALA 71 CO 0.09 0.49 -0.33 0.93 0.00 0.00 0.00 179.25 180.43 2k5c h GLU 72 N 0.21 0.00 0.00 0.00 5.08 -1.54 -3.14 114.58 115.18 2k5c h GLU 72 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2k5c h GLU 72 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2k5c h GLU 72 CO 0.05 0.33 -0.43 0.87 -1.00 0.00 0.00 179.01 178.83 2k5c h LYS 73 N 0.00 0.00 -0.51 2.33 1.57 -1.62 -3.27 116.57 115.07 2k5c h LYS 73 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2k5c h LYS 73 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2k5c h LYS 73 CO 0.04 0.43 0.07 0.28 -0.57 0.00 0.00 179.45 179.70 2k5c h VAL 74 N 0.00 1.23 0.00 0.50 2.07 -1.56 -2.90 116.25 115.59 2k5c h VAL 74 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2k5c h VAL 74 Cb 1.00 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2k5c h VAL 74 CO 0.06 0.33 -0.01 -0.26 0.02 0.00 0.00 177.57 177.70 2k5c h PHE 75 N 0.77 0.00 -0.39 1.57 -1.00 -1.70 -3.17 116.94 113.01 2k5c h PHE 75 Ca 0.16 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.87 2k5c h PHE 75 Cb 0.36 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2k5c h PHE 75 CO 0.02 0.01 -0.05 1.49 -1.61 0.00 0.00 178.31 178.17 2k5c h GLU 76 N 0.00 0.72 -0.11 1.51 4.57 -1.68 -1.75 114.58 117.83 2k5c h GLU 76 Ca -0.00 -0.26 -0.12 0.00 -1.18 0.00 0.00 59.36 57.80 2k5c h GLU 76 Cb 0.02 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2k5c h GLU 76 CO 0.00 0.84 -0.47 1.37 -1.18 0.00 0.00 179.01 179.57 2k5c h LEU 77 N 0.54 0.30 0.00 1.64 8.10 -1.66 -0.89 115.31 123.34 2k5c h LEU 77 Ca 0.10 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.95 2k5c h LEU 77 Cb 0.55 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 2k5c h LEU 77 CO 0.03 0.73 -0.12 -0.07 -4.11 0.00 0.00 178.44 174.90 2k5c h LEU 78 N 0.23 0.00 0.00 0.17 3.38 -1.56 -3.30 115.31 114.23 2k5c h LEU 78 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5c h LEU 78 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k5c h LEU 78 CO 0.08 0.01 -1.29 0.59 0.09 0.00 0.00 178.44 177.91 2k5c n ASN 79 N -2.80 0.75 -3.69 -0.43 3.02 -0.66 -4.66 115.26 106.78 2k5c n ASN 79 Ca 0.04 -0.58 -0.35 0.00 -0.03 0.00 0.00 54.58 53.66 2k5c n ASN 79 Cb 0.50 1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 40.99 2k5c n ASN 79 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k5c n ASP 80 N -1.74 5.19 0.19 6.41 8.00 -0.35 -4.82 116.55 129.43 2k5c n ASP 80 Ca 0.01 -3.45 0.07 0.00 0.71 0.00 0.00 54.79 52.13 2k5c n ASP 80 Cb 0.38 -0.97 0.27 0.00 -0.02 0.00 0.00 41.12 40.78 2k5c n ASP 80 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2k5c h PHE 81 N 4.74 0.00 -3.29 1.24 0.04 -1.83 -3.45 116.94 114.38 2k5c h PHE 81 Ca 0.21 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.33 2k5c h PHE 81 Cb 0.62 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.60 2k5c h PHE 81 CO 0.89 0.32 -0.62 0.15 -0.60 0.00 0.00 178.31 178.44 2k5c s LYS 82 N -3.37 3.44 0.00 1.51 1.02 -1.26 -4.77 119.74 116.30 2k5c s LYS 82 Ca 0.02 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2k5c s LYS 82 Cb 0.09 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2k5c s LYS 82 CO 0.68 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.99 2k5c n GLY 83 N 2.88 -0.78 2.61 -3.33 0.00 -1.26 -4.97 105.19 100.33 2k5c n GLY 83 Ca -0.18 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2k5c n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5c n GLY 84 N 0.00 2.09 3.14 -0.02 0.00 -1.26 -5.08 105.19 104.05 2k5c n GLY 84 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2k5c n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5c s ILE 85 N -3.26 2.06 -0.05 -0.61 1.09 -1.25 -3.82 121.20 115.36 2k5c s ILE 85 Ca 0.30 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.94 2k5c s ILE 85 Cb 0.44 -1.85 0.00 0.00 -1.06 0.00 0.00 42.46 39.99 2k5c s ILE 85 CO 0.01 0.54 -0.17 -1.81 -0.10 0.00 0.00 174.94 173.42 2k5c s ASP 86 N 1.14 2.15 0.10 3.58 1.01 -1.09 -4.99 116.67 118.56 2k5c s ASP 86 Ca 0.01 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.94 2k5c s ASP 86 Cb -0.14 -0.72 -0.24 0.00 1.01 0.00 0.00 42.92 42.83 2k5c s ASP 86 CO -0.09 0.13 1.20 -0.50 0.21 0.00 0.00 175.17 176.11 2k5c h TRP 87 N 6.45 0.21 0.15 4.23 4.06 -1.98 -1.32 115.95 127.75 2k5c h TRP 87 Ca -0.31 -0.15 -0.30 0.00 2.06 0.00 0.00 58.89 60.19 2k5c h TRP 87 Cb 1.18 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 29.34 2k5c h TRP 87 CO 0.45 1.12 -1.42 0.93 -3.56 0.00 0.00 178.44 175.96 2k5c h GLU 88 N 0.03 0.32 0.00 0.49 5.08 -2.00 -3.36 114.58 115.13 2k5c h GLU 88 Ca -0.07 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2k5c h GLU 88 Cb 1.86 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 2k5c h GLU 88 CO 0.16 1.22 -1.32 0.09 -1.00 0.00 0.00 179.01 178.16 2k5c n ASN 89 N -3.54 0.58 -3.39 1.42 4.13 -1.26 -5.04 115.26 108.17 2k5c n ASN 89 Ca -0.14 0.23 -0.18 0.00 1.68 0.00 0.00 54.58 56.17 2k5c n ASN 89 Cb 1.05 0.93 0.07 0.00 -1.54 0.00 0.00 39.78 40.29 2k5c n ASN 89 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2k5c n LYS 90 N -2.55 -3.56 -4.76 3.52 5.02 -0.51 -5.03 118.16 110.29 2k5c n LYS 90 Ca -0.01 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.74 2k5c n LYS 90 Cb 0.56 -5.59 -0.15 0.00 -0.02 0.00 0.00 35.03 29.83 2k5c n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k5c s ARG 91 N -4.98 3.30 -0.11 1.97 0.52 -1.14 -4.98 118.95 113.52 2k5c s ARG 91 Ca 0.29 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2k5c s ARG 91 Cb -0.05 -2.59 0.01 0.00 0.52 0.00 0.00 34.95 32.84 2k5c s ARG 91 CO 0.76 0.15 -0.16 0.08 0.02 0.00 0.00 175.30 176.15 2k5c s VAL 92 N 0.48 1.58 -0.08 3.52 1.01 -1.26 -2.67 120.40 122.99 2k5c s VAL 92 Ca -0.10 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2k5c s VAL 92 Cb -0.16 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 2k5c s VAL 92 CO 0.05 0.46 -0.23 -0.54 0.00 0.00 0.00 175.10 174.84 2k5c s LYS 93 N 0.97 2.70 -0.07 2.72 1.02 -1.25 -4.86 119.74 120.97 2k5c s LYS 93 Ca -0.06 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.15 2k5c s LYS 93 Cb -0.15 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2k5c s LYS 93 CO -0.02 0.23 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.89 2k5c s LEU 94 N 0.20 2.06 0.00 3.17 1.43 -1.26 -4.88 118.68 119.40 2k5c s LEU 94 Ca -0.13 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.55 2k5c s LEU 94 Cb -0.16 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.79 2k5c s LEU 94 CO 0.07 0.20 0.81 0.29 0.23 0.00 0.00 176.35 177.95