#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 3.23 -0.02 3.04 0.00 -1.15 -4.92 121.76 121.95 2k5c s ALA 9 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2k5c s ALA 9 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2k5c s ALA 9 CO 0.00 0.58 -0.15 0.15 0.00 0.00 0.00 175.76 176.34 2k5c s LYS 10 N -0.86 1.28 -0.11 0.00 1.02 -1.26 -0.42 119.74 119.39 2k5c s LYS 10 Ca 0.13 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 2k5c s LYS 10 Cb -0.11 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.96 2k5c s LYS 10 CO 0.02 0.29 1.35 0.00 -0.92 0.00 0.00 175.35 176.09 2k5c n PRO 12 N 6.39 0.22 -0.10 0.00 -0.04 -1.26 -1.25 135.00 138.96 2k5c n PRO 12 Ca 0.14 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 2k5c n PRO 12 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.32 1.50 -0.11 0.52 5.41 -1.26 -4.84 119.36 119.26 2k5c n ILE 13 Ca 0.08 -0.01 -0.16 0.00 1.00 0.00 0.00 62.75 63.65 2k5c n ILE 13 Cb 0.15 -2.18 -0.09 0.00 -0.71 0.00 0.00 39.64 36.81 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 2.33 1.15 3.90 0.00 0.00 -0.38 -5.03 105.19 107.16 2k5c n GLY 15 Ca -0.39 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.35 6.45 0.29 1.61 0.01 -1.26 -4.78 113.70 113.67 2k5c s SER 16 Ca 0.00 0.47 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 2k5c s SER 16 Cb 0.00 -2.05 -0.10 0.00 0.21 0.00 0.00 66.02 64.08 2k5c s SER 16 CO 0.00 0.18 1.24 -2.84 0.41 0.00 0.00 173.24 172.23 2k5c s PRO 17 N -2.20 4.45 0.06 12.44 0.02 -1.26 -2.90 135.00 145.61 2k5c s PRO 17 Ca 0.33 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.48 2k5c s PRO 17 Cb -0.13 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2k5c s PRO 17 CO 0.22 -0.07 -0.21 -0.51 -0.33 0.00 0.00 177.00 176.10 2k5c s LEU 18 N -1.42 2.20 -0.21 -5.54 1.43 0.45 -5.01 118.68 110.58 2k5c s LEU 18 Ca 0.49 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2k5c s LEU 18 Cb -0.37 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2k5c s LEU 18 CO 0.47 0.14 0.40 -0.54 0.23 0.00 0.00 176.35 177.05 2k5c s LYS 19 N -1.37 4.16 0.45 1.70 1.02 -1.26 -2.92 119.74 121.52 2k5c s LYS 19 Ca 0.08 0.20 0.24 0.00 0.02 0.00 0.00 55.97 56.50 2k5c s LYS 19 Cb -0.09 -3.54 1.04 0.00 -0.52 0.00 0.00 37.83 34.72 2k5c s LYS 19 CO 0.02 -0.06 1.89 -1.49 -0.92 0.00 0.00 175.35 174.80 2k5c h TRP 20 N 7.42 0.00 -0.06 3.18 4.06 -1.98 -3.03 115.95 125.54 2k5c h TRP 20 Ca -0.36 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.48 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 0.68 0.22 -0.48 0.93 -3.56 0.00 0.00 178.44 176.24 2k5c h GLU 21 N 0.00 0.15 0.01 0.49 5.08 -1.94 -3.06 114.58 115.31 2k5c h GLU 21 Ca -0.00 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 2k5c h GLU 21 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k5c h GLU 21 CO 0.03 0.60 -0.93 0.93 -1.00 0.00 0.00 179.01 178.64 2k5c h GLU 22 N 0.12 0.28 -0.60 2.33 5.08 -1.94 -2.67 114.58 117.19 2k5c h GLU 22 Ca 0.00 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2k5c h GLU 22 Cb 0.90 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2k5c h GLU 22 CO 0.07 1.03 0.07 1.25 -1.00 0.00 0.00 179.01 180.43 2k5c h LEU 23 N 0.15 0.97 0.22 1.33 5.85 -1.54 -1.99 115.31 120.30 2k5c h LEU 23 Ca -0.06 -0.27 -0.33 0.00 0.84 0.00 0.00 57.88 58.06 2k5c h LEU 23 Cb 1.57 -0.26 0.03 0.00 0.37 0.00 0.00 40.66 42.38 2k5c h LEU 23 CO 0.15 0.99 -1.43 0.40 -0.34 0.00 0.00 178.44 178.22 2k5c h ILE 24 N 0.90 1.32 -0.32 4.05 1.08 -1.65 -3.17 117.51 119.72 2k5c h ILE 24 Ca 0.18 -2.74 -0.09 0.00 -0.39 0.00 0.00 64.86 61.82 2k5c h ILE 24 Cb 0.45 3.00 -0.02 0.00 -3.07 0.00 0.00 36.82 37.19 2k5c h ILE 24 CO 0.02 0.82 -0.18 -0.08 -0.69 0.00 0.00 178.15 178.04 2k5c h GLU 25 N 0.15 0.57 0.00 2.37 4.81 -1.51 -1.62 114.58 119.36 2k5c h GLU 25 Ca -0.23 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2k5c h GLU 25 Cb 2.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.45 2k5c h GLU 25 CO 0.26 0.73 -0.29 0.93 -0.73 0.00 0.00 179.01 179.91 2k5c h GLU 26 N 0.52 0.00 -0.55 1.92 5.08 -1.51 -3.29 114.58 116.75 2k5c h GLU 26 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2k5c h GLU 26 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k5c h GLU 26 CO 0.04 0.29 0.00 -1.33 -1.00 0.00 0.00 179.01 177.01 2k5c n MET 27 N -3.18 2.83 -0.68 2.33 2.81 -1.14 -4.54 117.12 115.55 2k5c n MET 27 Ca 0.03 -2.40 -0.02 0.00 -1.81 0.00 0.00 57.70 53.50 2k5c n MET 27 Cb 0.64 -1.45 0.22 0.00 -0.71 0.00 0.00 33.22 31.93 2k5c n MET 27 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2k5c n LEU 28 N 1.09 4.63 -0.97 4.03 7.94 -0.62 -4.23 117.00 128.87 2k5c n LEU 28 Ca 0.19 -2.39 0.11 0.00 -1.11 0.00 0.00 56.01 52.81 2k5c n LEU 28 Cb 0.55 -0.66 0.27 0.00 0.53 0.00 0.00 43.42 44.10 2k5c n LEU 28 CO 0.13 0.62 0.72 2.30 -1.11 0.00 0.00 177.39 180.06 2k5c n ILE 29 N 0.09 0.50 -4.54 1.96 -5.35 -1.26 -4.93 119.36 105.83 2k5c n ILE 29 Ca 0.26 -0.65 -0.34 0.00 -0.27 0.00 0.00 62.75 61.75 2k5c n ILE 29 Cb 1.02 0.65 -0.11 0.00 -1.74 0.00 0.00 39.64 39.47 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 -1.50 3.90 -0.30 7.28 1.01 -1.26 -5.03 121.20 125.30 2k5c s ILE 30 Ca 0.37 -0.40 0.22 0.00 0.00 0.00 0.00 60.65 60.84 2k5c s ILE 30 Cb 0.21 -2.61 0.12 0.00 0.01 0.00 0.00 42.46 40.18 2k5c s ILE 30 CO 0.29 0.60 1.25 -0.33 0.00 0.00 0.00 174.94 176.75 2k5c h GLU 31 N 5.26 0.00 -0.74 2.79 5.08 -1.97 -3.33 114.58 121.68 2k5c h GLU 31 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k5c h GLU 31 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k5c h GLU 31 CO 0.53 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.66 2k5c n ASN 32 N -2.86 3.71 0.08 1.42 4.13 -1.26 -4.31 115.26 116.17 2k5c n ASN 32 Ca 0.01 -2.52 -0.15 0.00 1.68 0.00 0.00 54.58 53.60 2k5c n ASN 32 Cb 0.56 -0.60 -0.07 0.00 -1.54 0.00 0.00 39.78 38.13 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 2.35 0.66 -0.17 3.10 3.57 -1.97 -3.30 116.94 121.18 2k5c h PHE 33 Ca 0.00 -0.38 0.05 0.00 3.53 0.00 0.00 57.97 61.16 2k5c h PHE 33 Cb 1.33 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2k5c h PHE 33 CO 0.63 1.22 0.25 0.93 -2.23 0.00 0.00 178.31 179.12 2k5c h GLU 34 N 0.22 0.00 0.13 1.11 5.08 -1.88 0.12 114.58 119.36 2k5c h GLU 34 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 2k5c h GLU 34 Cb 1.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.95 2k5c h GLU 34 CO 0.18 0.00 -1.22 0.93 -1.00 0.00 0.00 179.01 177.90 2k5c h GLU 35 N 0.00 0.28 -0.14 2.33 5.08 -1.90 -3.29 114.58 116.94 2k5c h GLU 35 Ca 0.08 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.82 2k5c h GLU 35 Cb 0.59 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2k5c h GLU 35 CO -0.00 1.23 -0.50 0.82 -1.00 0.00 0.00 179.01 179.56 2k5c h ILE 36 N -0.31 1.35 0.00 3.13 2.04 -1.56 -3.23 117.51 118.93 2k5c h ILE 36 Ca -0.25 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2k5c h ILE 36 Cb 1.74 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2k5c h ILE 36 CO 0.10 0.54 0.00 1.62 0.00 0.00 0.00 178.15 180.41 2k5c h VAL 37 N 0.21 0.00 0.00 1.67 3.04 -0.97 -2.85 116.25 117.36 2k5c h VAL 37 Ca -0.02 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2k5c h VAL 37 Cb 1.12 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2k5c h VAL 37 CO 0.10 0.00 -1.06 0.29 -1.01 0.00 0.00 177.57 175.89 2k5c n LYS 38 N -2.97 0.48 -3.95 4.17 5.02 -1.24 -4.55 118.16 115.11 2k5c n LYS 38 Ca 0.00 0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 2k5c n LYS 38 Cb 0.25 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 2k5c n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k5c s ASP 39 N -4.71 4.25 0.48 4.39 1.01 -1.07 -5.02 116.67 116.01 2k5c s ASP 39 Ca 0.01 -1.58 0.17 0.00 0.71 0.00 0.00 52.55 51.86 2k5c s ASP 39 Cb 0.12 -1.33 1.19 0.00 1.01 0.00 0.00 42.92 43.91 2k5c s ASP 39 CO 0.80 -0.30 2.04 0.08 0.21 0.00 0.00 175.17 177.99 2k5c h ARG 40 N 7.84 0.19 -0.17 8.23 -0.00 -1.88 -1.82 114.38 126.77 2k5c h ARG 40 Ca -0.13 -0.01 -0.10 0.00 -0.00 0.00 0.00 59.98 59.73 2k5c h ARG 40 Cb 1.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.96 2k5c h ARG 40 CO 0.46 0.12 -0.35 1.49 -0.00 0.00 0.00 179.97 181.70 2k5c h GLU 41 N 0.19 0.35 0.14 0.08 4.81 -1.95 -0.86 114.58 117.34 2k5c h GLU 41 Ca 0.18 -0.15 -0.30 0.00 -0.13 0.00 0.00 59.36 58.96 2k5c h GLU 41 Cb 0.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2k5c h GLU 41 CO -0.03 0.66 -1.41 0.00 -0.73 0.00 0.00 179.01 177.50 2k5c h ARG 42 N 0.30 0.29 -0.07 1.92 3.08 -1.76 -3.21 114.38 114.93 2k5c h ARG 42 Ca 0.04 -0.49 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 2k5c h ARG 42 Cb 0.76 0.18 0.01 0.00 0.08 0.00 0.00 29.97 31.00 2k5c h ARG 42 CO 0.06 1.19 -0.38 0.35 -1.07 0.00 0.00 179.97 180.12 2k5c h PHE 43 N 0.08 0.51 0.00 3.04 3.04 -1.34 -2.51 116.94 119.76 2k5c h PHE 43 Ca -0.20 -0.23 -0.07 0.00 3.98 0.00 0.00 57.97 61.44 2k5c h PHE 43 Cb 2.01 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 40.44 2k5c h PHE 43 CO 0.07 0.99 -0.35 -0.07 -2.02 0.00 0.00 178.31 176.93 2k5c h LEU 44 N -0.11 0.00 0.00 0.59 3.38 -1.34 -2.07 115.31 115.76 2k5c h LEU 44 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2k5c h LEU 44 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2k5c h LEU 44 CO 0.08 0.35 -0.92 0.00 0.09 0.00 0.00 178.44 178.04 2k5c h ALA 45 N 1.65 0.46 0.19 1.53 0.00 -1.64 -3.09 119.26 118.36 2k5c h ALA 45 Ca -0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 54.91 53.78 2k5c h ALA 45 Cb 0.70 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.42 2k5c h ALA 45 CO 0.05 1.10 -1.36 0.37 0.00 0.00 0.00 179.25 179.40 2k5c h GLN 46 N 0.00 0.47 -0.35 0.00 4.15 -1.29 -3.09 115.11 115.00 2k5c h GLN 46 Ca -0.03 -0.76 -0.12 0.00 0.77 0.00 0.00 58.65 58.52 2k5c h GLN 46 Cb 1.68 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 29.64 2k5c h GLN 46 CO 0.11 1.36 -0.24 0.28 -1.93 0.00 0.00 178.83 178.41 2k5c h VAL 47 N 0.14 1.29 0.00 2.39 2.07 -1.51 -1.33 116.25 119.30 2k5c h VAL 47 Ca -0.21 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 2k5c h VAL 47 Cb 2.06 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2k5c h VAL 47 CO 0.25 0.45 -0.33 -0.33 0.02 0.00 0.00 177.57 177.64 2k5c h GLU 48 N 0.56 0.00 0.00 1.57 5.08 -1.68 -2.92 114.58 117.19 2k5c h GLU 48 Ca 0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 2k5c h GLU 48 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2k5c h GLU 48 CO 0.06 0.33 -1.62 0.39 -1.00 0.00 0.00 179.01 177.17 2k5c n GLU 49 N -3.90 0.63 -3.78 2.33 -0.58 -1.17 -3.61 120.64 110.57 2k5c n GLU 49 Ca -0.02 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 56.58 2k5c n GLU 49 Cb 0.40 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 2k5c n GLU 49 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k5c s PHE 50 N -2.84 3.53 0.10 -0.32 2.19 -0.51 -5.01 117.98 115.12 2k5c s PHE 50 Ca -0.04 0.49 0.01 0.00 0.33 0.00 0.00 56.93 57.72 2k5c s PHE 50 Cb 0.09 -1.94 -0.04 0.00 -1.31 0.00 0.00 43.02 39.82 2k5c s PHE 50 CO 0.82 0.56 0.21 0.54 1.83 0.00 0.00 175.22 179.18 2k5c s VAL 51 N -1.45 5.21 0.04 3.12 0.11 -1.26 -3.45 120.40 122.72 2k5c s VAL 51 Ca 0.33 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 58.89 2k5c s VAL 51 Cb -0.13 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2k5c s VAL 51 CO 0.21 0.05 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.44 2k5c s PHE 52 N -1.59 2.04 -0.07 1.54 0.08 0.21 -4.98 117.98 115.21 2k5c s PHE 52 Ca 0.34 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 2k5c s PHE 52 Cb -0.12 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.06 2k5c s PHE 52 CO 0.27 0.11 0.27 0.15 -0.10 0.00 0.00 175.22 175.92 2k5c s LYS 53 N -1.20 3.74 -0.40 0.44 1.02 -1.26 -0.50 119.74 121.59 2k5c s LYS 53 Ca 0.09 0.12 -0.17 0.00 0.02 0.00 0.00 55.97 56.04 2k5c s LYS 53 Cb -0.09 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2k5c s LYS 53 CO 0.02 0.68 0.43 0.00 -0.92 0.00 0.00 175.35 175.55 2k5c n PRO 55 N 5.57 0.10 -0.08 0.00 -0.02 -1.26 -1.05 135.00 138.26 2k5c n PRO 55 Ca -0.07 0.19 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 2k5c n PRO 55 Cb 0.48 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k5c h VAL 56 N 0.00 1.06 0.00 -1.45 2.07 -1.98 -3.44 116.25 112.52 2k5c h VAL 56 Ca 0.00 -2.01 -0.37 0.00 0.82 0.00 0.00 66.70 65.14 2k5c h VAL 56 Cb 0.21 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2k5c h VAL 56 CO 0.00 0.36 -2.25 0.00 0.02 0.00 0.00 177.57 175.70 2k5c n GLY 58 N 1.75 1.39 3.84 0.00 0.00 -0.21 -5.08 105.19 106.87 2k5c n GLY 58 Ca -0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.14 4.02 0.04 1.61 2.02 -1.26 -4.69 118.70 120.30 2k5c s GLU 59 Ca 0.00 0.62 -0.19 0.00 0.02 0.00 0.00 54.97 55.42 2k5c s GLU 59 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 2k5c s GLU 59 CO 0.00 0.30 0.55 -1.21 0.02 0.00 0.00 175.26 174.92 2k5c s GLU 60 N -2.54 4.20 0.02 1.61 2.02 -1.26 -2.78 118.70 119.97 2k5c s GLU 60 Ca 0.48 0.69 0.08 0.00 0.02 0.00 0.00 54.97 56.23 2k5c s GLU 60 Cb -0.13 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2k5c s GLU 60 CO 0.19 0.57 -0.23 -0.59 0.02 0.00 0.00 175.26 175.22 2k5c s PHE 61 N -0.84 2.06 0.18 1.61 -0.71 0.34 -4.95 117.98 115.66 2k5c s PHE 61 Ca 0.29 -0.39 -0.04 0.00 -1.04 0.00 0.00 56.93 55.75 2k5c s PHE 61 Cb -0.19 -1.26 -0.05 0.00 -1.21 0.00 0.00 43.02 40.31 2k5c s PHE 61 CO 0.18 0.06 0.41 0.71 -1.34 0.00 0.00 175.22 175.23 2k5c s TYR 62 N -0.72 3.47 -1.09 3.49 2.02 -1.26 -0.62 117.35 122.65 2k5c s TYR 62 Ca 0.09 0.52 0.21 0.00 -0.37 0.00 0.00 57.07 57.52 2k5c s TYR 62 Cb -0.09 -1.99 0.93 0.00 -0.40 0.00 0.00 41.96 40.41 2k5c s TYR 62 CO 0.01 0.38 1.67 0.41 -1.57 0.00 0.00 175.55 176.45 2k5c n GLY 63 N -0.23 -1.16 0.12 0.71 0.00 -1.11 -2.92 105.19 100.60 2k5c n GLY 63 Ca -0.03 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.22 1.61 3.64 -1.78 -3.34 116.57 116.48 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 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 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 -2.56 0.26 -2.41 1.00 -2.24 -1.15 -5.01 114.28 102.18 2k5c n THR 65 Ca 0.02 -0.62 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 2k5c n THR 65 Cb 0.51 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 2k5c n THR 65 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2k5c s LEU 66 N -1.73 3.69 0.64 3.22 2.96 -1.25 -5.00 118.68 121.21 2k5c s LEU 66 Ca 0.34 1.72 -0.17 0.00 -0.22 0.00 0.00 54.13 55.80 2k5c s LEU 66 Cb 0.22 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.37 2k5c s LEU 66 CO 0.31 -0.74 1.18 -2.84 -1.32 0.00 0.00 176.35 172.95 2k5c s PRO 67 N -3.76 2.71 0.56 0.98 0.02 -1.26 -4.97 135.00 129.28 2k5c s PRO 67 Ca 0.62 1.71 0.36 0.00 0.02 0.00 0.00 61.00 63.72 2k5c s PRO 67 Cb -0.13 -1.91 1.66 0.00 0.02 0.00 0.00 34.50 34.15 2k5c s PRO 67 CO 0.27 -1.39 2.08 0.00 -0.33 0.00 0.00 177.00 177.64 2k5c h ARG 68 N 0.38 0.00 0.10 5.54 3.08 -2.00 -3.03 114.38 118.45 2k5c h ARG 68 Ca -0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.30 2k5c h ARG 68 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2k5c h ARG 68 CO 0.53 0.00 -1.17 0.00 -1.07 0.00 0.00 179.97 178.26 2k5c h ARG 69 N 0.00 0.24 0.00 0.04 3.08 -2.02 -3.32 114.38 112.39 2k5c h ARG 69 Ca 0.00 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.56 2k5c h ARG 69 Cb 0.34 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2k5c h ARG 69 CO 0.00 1.17 -0.48 0.93 -1.07 0.00 0.00 179.97 180.52 2k5c h GLU 70 N 0.07 0.00 -0.07 0.04 5.08 -1.89 -3.17 114.58 114.64 2k5c h GLU 70 Ca -0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2k5c h GLU 70 Cb 1.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 2k5c h GLU 70 CO 0.19 0.48 -0.26 0.00 -1.00 0.00 0.00 179.01 178.41 2k5c h ALA 71 N 1.52 1.43 0.00 3.43 0.00 -1.65 -2.99 119.26 121.00 2k5c h ALA 71 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2k5c h ALA 71 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k5c h ALA 71 CO 0.06 0.41 -0.34 0.93 0.00 0.00 0.00 179.25 180.31 2k5c h GLU 72 N 0.12 0.00 0.00 0.00 5.08 -1.67 -3.14 114.58 114.97 2k5c h GLU 72 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2k5c h GLU 72 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2k5c h GLU 72 CO 0.04 0.34 -0.35 0.87 -1.00 0.00 0.00 179.01 178.91 2k5c h LYS 73 N 0.00 0.00 -0.25 2.33 1.57 -1.62 -3.14 116.57 115.46 2k5c h LYS 73 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2k5c h LYS 73 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2k5c h LYS 73 CO 0.04 0.35 -0.17 0.28 -0.57 0.00 0.00 179.45 179.39 2k5c h VAL 74 N 0.00 1.23 0.00 0.50 2.07 -1.64 -2.96 116.25 115.46 2k5c h VAL 74 Ca -0.00 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2k5c h VAL 74 Cb 0.70 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2k5c h VAL 74 CO 0.05 0.34 -0.24 -0.26 0.02 0.00 0.00 177.57 177.47 2k5c h PHE 75 N 0.39 0.00 -0.41 1.57 -1.00 -1.69 -3.28 116.94 112.53 2k5c h PHE 75 Ca 0.07 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.72 2k5c h PHE 75 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 2k5c h PHE 75 CO 0.02 0.24 -0.25 1.49 -1.61 0.00 0.00 178.31 178.20 2k5c h GLU 76 N 0.00 0.86 0.00 1.51 4.81 -1.64 -2.60 114.58 117.52 2k5c h GLU 76 Ca -0.00 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 2k5c h GLU 76 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2k5c h GLU 76 CO 0.03 1.01 -0.60 1.37 -0.73 0.00 0.00 179.01 180.10 2k5c h LEU 77 N 0.74 0.00 -0.12 1.64 8.10 -1.66 -1.42 115.31 122.58 2k5c h LEU 77 Ca 0.09 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.94 2k5c h LEU 77 Cb 0.80 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.00 2k5c h LEU 77 CO 0.07 0.60 -0.66 0.25 -4.11 0.00 0.00 178.44 174.59 2k5c h LEU 78 N 0.00 0.00 0.00 0.17 5.85 -1.62 -3.35 115.31 116.36 2k5c h LEU 78 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k5c h LEU 78 Cb 1.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k5c h LEU 78 CO 0.08 0.66 -1.82 0.59 -0.34 0.00 0.00 178.44 177.60 2k5c n ASN 79 N -3.32 0.16 -3.28 1.25 3.02 -0.99 -4.62 115.26 107.49 2k5c n ASN 79 Ca 0.01 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.30 2k5c n ASN 79 Cb 0.78 1.70 -0.03 0.00 -0.61 0.00 0.00 39.78 41.62 2k5c n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k5c n ASP 80 N -2.35 5.32 0.02 6.41 -0.08 -0.54 -4.83 116.55 120.50 2k5c n ASP 80 Ca -0.04 -3.63 -0.06 0.00 -1.51 0.00 0.00 54.79 49.55 2k5c n ASP 80 Cb 0.58 -0.80 0.13 0.00 2.34 0.00 0.00 41.12 43.38 2k5c n ASP 80 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2k5c h PHE 81 N 3.67 0.57 -3.62 -0.67 0.04 -1.82 -3.42 116.94 111.69 2k5c h PHE 81 Ca 0.26 -0.16 -0.65 0.00 2.80 0.00 0.00 57.97 60.21 2k5c h PHE 81 Cb 0.48 -0.12 -0.23 0.00 2.20 0.00 0.00 35.95 38.28 2k5c h PHE 81 CO 0.97 0.81 -0.63 0.15 -0.60 0.00 0.00 178.31 179.02 2k5c s LYS 82 N -4.21 3.65 0.00 1.51 1.02 -1.26 -4.54 119.74 115.90 2k5c s LYS 82 Ca -0.07 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2k5c s LYS 82 Cb 0.13 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2k5c s LYS 82 CO 0.81 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 2k5c n GLY 83 N 4.88 -0.17 0.00 -3.33 0.00 -1.26 -4.96 105.19 100.35 2k5c n GLY 83 Ca -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.06 3.18 3.43 -0.02 0.00 -1.26 -5.03 105.19 105.43 2k5c n GLY 84 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 3.86 -0.08 -0.61 1.09 -1.26 -2.89 121.20 121.32 2k5c s ILE 85 Ca 0.00 -0.34 0.05 0.00 -1.10 0.00 0.00 60.65 59.25 2k5c s ILE 85 Cb 0.00 -2.74 -0.01 0.00 -1.06 0.00 0.00 42.46 38.65 2k5c s ILE 85 CO 0.00 0.43 -0.23 -1.81 -0.10 0.00 0.00 174.94 173.23 2k5c s ASP 86 N 1.00 3.23 0.13 3.58 1.01 -0.82 -4.70 116.67 120.09 2k5c s ASP 86 Ca 0.01 -0.49 0.08 0.00 0.71 0.00 0.00 52.55 52.86 2k5c s ASP 86 Cb -0.14 -1.13 -0.18 0.00 1.01 0.00 0.00 42.92 42.48 2k5c s ASP 86 CO 0.01 0.21 1.27 -0.50 0.21 0.00 0.00 175.17 176.38 2k5c h TRP 87 N 6.32 0.00 0.13 4.23 4.06 -1.95 -2.11 115.95 126.63 2k5c h TRP 87 Ca -0.27 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.39 2k5c h TRP 87 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2k5c h TRP 87 CO 0.45 0.94 -1.39 0.93 -3.56 0.00 0.00 178.44 175.81 2k5c h GLU 88 N 0.00 0.27 0.00 0.49 5.08 -1.99 -3.36 114.58 115.07 2k5c h GLU 88 Ca -0.02 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k5c h GLU 88 Cb 1.73 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2k5c h GLU 88 CO 0.12 1.17 -1.14 0.09 -1.00 0.00 0.00 179.01 178.25 2k5c n ASN 89 N -3.49 0.62 -3.54 1.42 3.02 -1.26 -5.03 115.26 107.00 2k5c n ASN 89 Ca -0.13 0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 2k5c n ASN 89 Cb 1.04 0.78 0.08 0.00 -0.61 0.00 0.00 39.78 41.07 2k5c n ASN 89 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k5c n LYS 90 N -2.34 -6.98 -4.95 3.52 5.02 -0.81 -5.05 118.16 106.57 2k5c n LYS 90 Ca 0.00 0.81 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 2k5c n LYS 90 Cb 0.51 -5.81 -0.14 0.00 -0.02 0.00 0.00 35.03 29.57 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 -5.85 2.59 -0.14 1.97 1.81 -1.14 -5.01 118.95 113.19 2k5c s ARG 91 Ca 0.26 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.55 2k5c s ARG 91 Cb -0.12 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 2k5c s ARG 91 CO 0.74 0.54 -0.19 0.08 -0.68 0.00 0.00 175.30 175.79 2k5c s VAL 92 N -0.52 2.42 -0.08 3.52 1.01 -1.26 -1.95 120.40 123.54 2k5c s VAL 92 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2k5c s VAL 92 Cb -0.12 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2k5c s VAL 92 CO 0.01 0.54 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 2k5c s LYS 93 N 0.65 1.95 -0.06 2.72 2.20 -1.14 -4.94 119.74 121.12 2k5c s LYS 93 Ca -0.10 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2k5c s LYS 93 Cb -0.16 -1.59 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2k5c s LYS 93 CO 0.02 0.04 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.36 2k5c s LEU 94 N 0.67 1.88 0.00 5.43 1.43 -1.26 -4.62 118.68 122.21 2k5c s LEU 94 Ca -0.14 -0.38 0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2k5c s LEU 94 Cb -0.16 -1.03 0.13 0.00 0.03 0.00 0.00 46.19 45.16 2k5c s LEU 94 CO 0.04 0.13 1.03 0.29 0.23 0.00 0.00 176.35 178.07