#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 3.26 -0.03 3.04 0.00 -0.93 -5.00 121.76 122.10 2k5c s ALA 9 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2k5c s ALA 9 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k5c s ALA 9 CO 0.00 0.62 -0.21 0.15 0.00 0.00 0.00 175.76 176.31 2k5c s LYS 10 N -1.23 1.90 -0.07 0.00 1.02 -1.26 -0.53 119.74 119.56 2k5c s LYS 10 Ca 0.17 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 2k5c s LYS 10 Cb -0.11 -1.75 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2k5c s LYS 10 CO 0.06 0.41 1.35 0.00 -0.92 0.00 0.00 175.35 176.25 2k5c n PRO 12 N 5.96 0.61 -0.11 0.00 -0.04 -1.26 -1.39 135.00 138.77 2k5c n PRO 12 Ca 0.13 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 2k5c n PRO 12 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.08 1.51 -0.11 0.52 -0.00 -1.26 -4.87 119.36 114.08 2k5c n ILE 13 Ca 0.15 -0.07 -0.16 0.00 -0.00 0.00 0.00 62.75 62.67 2k5c n ILE 13 Cb 0.11 -2.16 -0.09 0.00 -0.00 0.00 0.00 39.64 37.49 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 1.10 3.89 0.00 0.00 -0.49 -5.03 105.19 106.98 2k5c n GLY 15 Ca -0.39 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.46 6.51 0.33 1.61 0.01 -1.26 -4.78 113.70 113.67 2k5c s SER 16 Ca 0.00 0.62 -0.28 0.00 1.31 0.00 0.00 55.95 57.59 2k5c s SER 16 Cb 0.00 -2.10 -0.10 0.00 0.21 0.00 0.00 66.02 64.03 2k5c s SER 16 CO 0.00 0.09 1.23 -2.84 0.41 0.00 0.00 173.24 172.13 2k5c s PRO 17 N -2.46 4.36 0.04 12.44 0.02 -1.26 -3.27 135.00 144.87 2k5c s PRO 17 Ca 0.38 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.51 2k5c s PRO 17 Cb -0.12 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 2k5c s PRO 17 CO 0.23 -0.13 -0.16 -0.51 -0.33 0.00 0.00 177.00 176.10 2k5c s LEU 18 N -1.85 2.17 -0.15 -5.54 1.43 0.31 -5.02 118.68 110.03 2k5c s LEU 18 Ca 0.49 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 2k5c s LEU 18 Cb -0.36 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 2k5c s LEU 18 CO 0.48 0.07 0.16 -0.54 0.23 0.00 0.00 176.35 176.75 2k5c s LYS 19 N -1.14 3.82 0.45 1.70 1.02 -1.26 -2.20 119.74 122.13 2k5c s LYS 19 Ca 0.03 -0.12 0.24 0.00 0.02 0.00 0.00 55.97 56.14 2k5c s LYS 19 Cb -0.08 -3.30 1.05 0.00 -0.52 0.00 0.00 37.83 34.97 2k5c s LYS 19 CO 0.01 0.54 1.89 -1.49 -0.92 0.00 0.00 175.35 175.39 2k5c h TRP 20 N 5.77 0.00 -0.01 3.18 4.06 -1.96 -3.12 115.95 123.86 2k5c h TRP 20 Ca -0.48 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.36 2k5c h TRP 20 Cb 1.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 2k5c h TRP 20 CO 0.67 0.22 -0.52 0.93 -3.56 0.00 0.00 178.44 176.19 2k5c h GLU 21 N 0.00 0.04 -0.05 0.49 5.08 -1.95 -3.24 114.58 114.96 2k5c h GLU 21 Ca -0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 2k5c h GLU 21 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k5c h GLU 21 CO 0.03 0.55 -0.80 0.93 -1.00 0.00 0.00 179.01 178.71 2k5c h GLU 22 N 0.03 0.39 -0.52 2.33 5.08 -1.94 -2.94 114.58 117.00 2k5c h GLU 22 Ca -0.00 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 2k5c h GLU 22 Cb 0.93 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2k5c h GLU 22 CO 0.07 1.01 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.88 2k5c h LEU 23 N 0.25 1.02 -0.07 1.33 3.38 -1.64 -2.32 115.31 117.26 2k5c h LEU 23 Ca -0.05 -0.36 -0.22 0.00 0.09 0.00 0.00 57.88 57.34 2k5c h LEU 23 Cb 1.40 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.89 2k5c h LEU 23 CO 0.14 1.15 -0.80 0.40 0.09 0.00 0.00 178.44 179.42 2k5c h ILE 24 N 0.88 1.31 -0.32 1.22 1.08 -1.67 -2.95 117.51 117.06 2k5c h ILE 24 Ca 0.13 -2.06 -0.10 0.00 -0.39 0.00 0.00 64.86 62.44 2k5c h ILE 24 Cb 0.71 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 2k5c h ILE 24 CO 0.05 0.63 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.85 2k5c h GLU 25 N 0.33 0.62 0.00 2.37 4.81 -1.58 -2.20 114.58 118.93 2k5c h GLU 25 Ca -0.08 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2k5c h GLU 25 Cb 1.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 2k5c h GLU 25 CO 0.16 0.79 -0.33 0.93 -0.73 0.00 0.00 179.01 179.83 2k5c h GLU 26 N 0.55 0.00 -0.13 1.92 5.08 -1.53 -3.32 114.58 117.15 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 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k5c h GLU 26 CO 0.05 0.29 0.00 -1.33 -1.00 0.00 0.00 179.01 177.02 2k5c n MET 27 N -3.16 2.03 -0.04 2.33 2.81 -1.11 -4.51 117.12 115.47 2k5c n MET 27 Ca 0.03 -1.87 0.01 0.00 -1.81 0.00 0.00 57.70 54.05 2k5c n MET 27 Cb 0.65 -1.42 0.03 0.00 -0.71 0.00 0.00 33.22 31.77 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 1.21 0.60 -0.09 4.03 7.94 -0.83 -3.77 117.00 126.10 2k5c n LEU 28 Ca 0.14 -0.30 0.12 0.00 -1.11 0.00 0.00 56.01 54.86 2k5c n LEU 28 Cb 0.53 -0.18 0.32 0.00 0.53 0.00 0.00 43.42 44.62 2k5c n LEU 28 CO 0.13 0.13 0.55 2.30 -1.11 0.00 0.00 177.39 179.40 2k5c n ILE 29 N -0.23 0.00 -3.79 1.96 -6.64 -1.26 -4.89 119.36 104.51 2k5c n ILE 29 Ca 0.02 -0.05 -0.37 0.00 -1.77 0.00 0.00 62.75 60.59 2k5c n ILE 29 Cb 0.13 0.27 -0.06 0.00 -1.44 0.00 0.00 39.64 38.53 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 2k5c s ILE 30 N -2.81 5.42 0.13 7.28 1.01 -1.25 -5.03 121.20 125.95 2k5c s ILE 30 Ca 0.16 0.30 0.15 0.00 0.00 0.00 0.00 60.65 61.26 2k5c s ILE 30 Cb 0.18 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 39.23 2k5c s ILE 30 CO 0.63 0.57 1.59 -0.33 0.00 0.00 0.00 174.94 177.40 2k5c h GLU 31 N 5.37 0.00 0.00 2.79 5.08 -1.94 -3.22 114.58 122.66 2k5c h GLU 31 Ca -0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 2k5c h GLU 31 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k5c h GLU 31 CO 0.63 0.54 -0.15 -0.91 -1.00 0.00 0.00 179.01 178.11 2k5c h ASN 32 N 0.00 0.00 -0.64 1.42 4.21 -1.99 -3.29 115.58 115.28 2k5c h ASN 32 Ca -0.01 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.61 2k5c h ASN 32 Cb 1.14 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.30 2k5c h ASN 32 CO 0.07 0.15 0.43 0.15 -1.29 0.00 0.00 177.43 176.94 2k5c h PHE 33 N 0.00 0.49 0.00 1.19 3.57 -1.92 -1.63 116.94 118.64 2k5c h PHE 33 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2k5c h PHE 33 Cb 0.66 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k5c h PHE 33 CO 0.00 0.23 -0.14 0.93 -2.23 0.00 0.00 178.31 177.09 2k5c h GLU 34 N 0.45 0.00 0.08 1.11 5.08 -1.79 -1.18 114.58 118.34 2k5c h GLU 34 Ca 0.30 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.36 2k5c h GLU 34 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k5c h GLU 34 CO -0.09 0.14 -1.60 0.93 -1.00 0.00 0.00 179.01 177.39 2k5c h GLU 35 N 0.00 0.18 -0.25 2.33 4.39 -1.55 -3.38 114.58 116.29 2k5c h GLU 35 Ca -0.00 -0.30 -0.19 0.00 0.34 0.00 0.00 59.36 59.21 2k5c h GLU 35 Cb 0.29 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2k5c h GLU 35 CO 0.02 0.98 -0.60 0.82 -1.16 0.00 0.00 179.01 179.06 2k5c h ILE 36 N 0.05 1.28 0.00 3.13 2.04 -1.28 -3.29 117.51 119.44 2k5c h ILE 36 Ca -0.26 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 2k5c h ILE 36 Cb 2.00 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2k5c h ILE 36 CO 0.13 0.58 -0.00 -0.37 0.00 0.00 0.00 178.15 178.49 2k5c h VAL 37 N 0.63 0.01 0.00 1.67 -1.51 -1.39 -2.31 116.25 113.34 2k5c h VAL 37 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2k5c h VAL 37 Cb 1.21 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2k5c h VAL 37 CO 0.13 0.00 -0.56 0.11 -1.23 0.00 0.00 177.57 176.02 2k5c h LYS 38 N 0.00 0.00 -4.11 5.19 1.57 -1.74 -3.45 116.57 114.03 2k5c h LYS 38 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2k5c h LYS 38 Cb 0.06 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.98 2k5c h LYS 38 CO 0.00 0.00 -0.78 -0.51 -0.57 0.00 0.00 179.45 177.59 2k5c s ASP 39 N -5.72 3.42 0.45 0.86 1.01 -0.87 -5.04 116.67 110.79 2k5c s ASP 39 Ca 0.03 -0.99 0.11 0.00 0.71 0.00 0.00 52.55 52.40 2k5c s ASP 39 Cb 0.08 -0.98 1.02 0.00 1.01 0.00 0.00 42.92 44.05 2k5c s ASP 39 CO 0.74 -0.24 2.08 0.08 0.21 0.00 0.00 175.17 178.04 2k5c h ARG 40 N 8.06 0.30 -0.09 8.23 -0.00 -1.88 -2.88 114.38 126.13 2k5c h ARG 40 Ca -0.19 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.98 59.68 2k5c h ARG 40 Cb 1.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.98 2k5c h ARG 40 CO 0.39 0.22 -0.39 1.49 -0.00 0.00 0.00 179.97 181.68 2k5c h GLU 41 N 0.31 0.18 0.11 0.08 4.81 -1.96 -2.58 114.58 115.53 2k5c h GLU 41 Ca 0.08 -0.08 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2k5c h GLU 41 Cb -0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2k5c h GLU 41 CO -0.01 0.55 -1.38 0.00 -0.73 0.00 0.00 179.01 177.44 2k5c h ARG 42 N 0.16 0.23 -0.19 1.92 3.08 -1.86 -3.23 114.38 114.48 2k5c h ARG 42 Ca 0.02 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.57 2k5c h ARG 42 Cb 0.76 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 2k5c h ARG 42 CO 0.06 1.12 -0.26 0.35 -1.07 0.00 0.00 179.97 180.17 2k5c h PHE 43 N 0.06 0.64 -0.22 3.04 3.04 -1.51 -2.47 116.94 119.52 2k5c h PHE 43 Ca -0.18 -0.21 -0.14 0.00 3.98 0.00 0.00 57.97 61.42 2k5c h PHE 43 Cb 1.98 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 40.35 2k5c h PHE 43 CO 0.06 0.91 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.72 2k5c h LEU 44 N 0.19 0.60 -0.70 0.59 3.38 -1.64 -2.65 115.31 115.07 2k5c h LEU 44 Ca 0.02 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 2k5c h LEU 44 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2k5c h LEU 44 CO 0.06 0.97 -0.63 0.00 0.09 0.00 0.00 178.44 178.93 2k5c h ALA 45 N 1.05 0.92 0.09 1.53 0.00 -1.65 -3.04 119.26 118.15 2k5c h ALA 45 Ca 0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 2k5c h ALA 45 Cb 0.98 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k5c h ALA 45 CO 0.09 0.79 -1.14 0.37 0.00 0.00 0.00 179.25 179.36 2k5c h GLN 46 N 0.00 0.26 -0.37 0.00 4.15 -1.43 -2.92 115.11 114.80 2k5c h GLN 46 Ca -0.01 -0.39 -0.16 0.00 0.77 0.00 0.00 58.65 58.86 2k5c h GLN 46 Cb 1.15 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 2k5c h GLN 46 CO 0.08 1.16 -0.39 0.28 -1.93 0.00 0.00 178.83 178.03 2k5c h VAL 47 N 0.09 1.27 -0.13 2.39 2.07 -1.54 -1.94 116.25 118.47 2k5c h VAL 47 Ca -0.11 -1.56 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 2k5c h VAL 47 Cb 1.84 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2k5c h VAL 47 CO 0.18 0.52 -0.55 -0.33 0.02 0.00 0.00 177.57 177.42 2k5c h GLU 48 N 0.74 0.38 0.00 1.57 5.08 -1.65 -2.86 114.58 117.85 2k5c h GLU 48 Ca 0.06 -0.24 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 2k5c h GLU 48 Cb 0.99 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2k5c h GLU 48 CO 0.10 0.83 -1.02 0.93 -1.00 0.00 0.00 179.01 178.85 2k5c h GLU 49 N 0.29 0.00 -6.02 2.33 4.39 -1.56 -3.17 114.58 110.84 2k5c h GLU 49 Ca 0.01 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2k5c h GLU 49 Cb 1.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2k5c h GLU 49 CO 0.09 0.60 -0.44 0.12 -1.16 0.00 0.00 179.01 178.22 2k5c s PHE 50 N -2.83 3.50 0.05 4.33 2.19 -0.73 -5.02 117.98 119.47 2k5c s PHE 50 Ca 0.00 0.27 0.02 0.00 0.33 0.00 0.00 56.93 57.55 2k5c s PHE 50 Cb 0.09 -1.78 -0.04 0.00 -1.31 0.00 0.00 43.02 39.98 2k5c s PHE 50 CO 0.79 0.52 0.06 0.54 1.83 0.00 0.00 175.22 178.96 2k5c s VAL 51 N -1.64 4.45 0.15 3.12 0.11 -1.26 -3.53 120.40 121.79 2k5c s VAL 51 Ca 0.36 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 58.83 2k5c s VAL 51 Cb -0.12 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 2k5c s VAL 51 CO 0.28 0.22 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.67 2k5c s PHE 52 N -1.28 2.14 -0.08 1.54 0.08 0.16 -4.96 117.98 115.58 2k5c s PHE 52 Ca 0.26 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 2k5c s PHE 52 Cb -0.12 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2k5c s PHE 52 CO 0.18 0.36 0.11 0.15 -0.10 0.00 0.00 175.22 175.92 2k5c s LYS 53 N -2.32 3.31 -0.28 0.44 1.02 -1.26 -0.52 119.74 120.12 2k5c s LYS 53 Ca 0.15 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 55.73 2k5c s LYS 53 Cb -0.09 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2k5c s LYS 53 CO 0.07 0.73 0.36 0.00 -0.92 0.00 0.00 175.35 175.59 2k5c n PRO 55 N 5.33 0.17 -0.09 0.00 -0.04 -1.26 -1.29 135.00 137.82 2k5c n PRO 55 Ca -0.09 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2k5c n PRO 55 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.85 0.00 0.52 2.07 -1.98 -3.44 116.25 114.26 2k5c h VAL 56 Ca 0.00 -1.97 -0.44 0.00 0.82 0.00 0.00 66.70 65.11 2k5c h VAL 56 Cb 0.29 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 2k5c h VAL 56 CO 0.00 0.29 -2.44 0.00 0.02 0.00 0.00 177.57 175.43 2k5c n GLY 58 N 1.30 1.81 3.85 0.00 0.00 -0.41 -5.07 105.19 106.66 2k5c n GLY 58 Ca -0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.08 3.95 0.08 1.61 2.02 -1.26 -4.57 118.70 120.43 2k5c s GLU 59 Ca 0.00 0.82 -0.22 0.00 0.02 0.00 0.00 54.97 55.60 2k5c s GLU 59 Cb 0.00 -2.24 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 2k5c s GLU 59 CO 0.00 -0.14 0.65 -1.21 0.02 0.00 0.00 175.26 174.58 2k5c s GLU 60 N -3.79 4.35 0.00 1.61 2.02 -1.26 -2.63 118.70 119.00 2k5c s GLU 60 Ca 0.57 0.87 0.05 0.00 0.02 0.00 0.00 54.97 56.48 2k5c s GLU 60 Cb -0.10 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 2k5c s GLU 60 CO 0.28 0.53 -0.14 -0.59 0.02 0.00 0.00 175.26 175.35 2k5c s PHE 61 N -0.82 1.28 0.16 1.61 -0.71 0.32 -4.96 117.98 114.85 2k5c s PHE 61 Ca 0.32 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.92 2k5c s PHE 61 Cb -0.20 -0.81 -0.05 0.00 -1.21 0.00 0.00 43.02 40.75 2k5c s PHE 61 CO 0.21 -0.01 0.37 0.71 -1.34 0.00 0.00 175.22 175.16 2k5c s TYR 62 N -0.45 3.48 -1.20 3.49 2.02 -1.26 -0.66 117.35 122.77 2k5c s TYR 62 Ca 0.05 0.46 0.25 0.00 -0.37 0.00 0.00 57.07 57.46 2k5c s TYR 62 Cb -0.06 -1.93 1.15 0.00 -0.40 0.00 0.00 41.96 40.72 2k5c s TYR 62 CO -0.00 0.43 1.81 0.41 -1.57 0.00 0.00 175.55 176.63 2k5c n GLY 63 N -0.15 -1.24 0.15 0.71 0.00 -1.08 -3.12 105.19 100.46 2k5c n GLY 63 Ca -0.03 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.46 1.61 3.64 -1.77 -3.33 116.57 116.27 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 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 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 -2.78 0.60 -2.54 1.00 -2.24 -1.18 -5.00 114.28 102.14 2k5c n THR 65 Ca 0.02 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 2k5c n THR 65 Cb 0.53 0.70 -0.00 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 -1.32 3.59 0.65 3.22 1.02 -1.25 -5.01 118.68 119.58 2k5c s LEU 66 Ca 0.40 1.05 -0.15 0.00 0.02 0.00 0.00 54.13 55.45 2k5c s LEU 66 Cb 0.22 -4.01 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 2k5c s LEU 66 CO 0.30 -0.60 1.11 -2.84 0.02 0.00 0.00 176.35 174.35 2k5c s PRO 67 N -4.66 2.85 0.46 1.29 0.02 -1.26 -4.98 135.00 128.71 2k5c s PRO 67 Ca 0.49 1.42 0.31 0.00 0.02 0.00 0.00 61.00 63.24 2k5c s PRO 67 Cb -0.10 -1.95 1.36 0.00 0.02 0.00 0.00 34.50 33.82 2k5c s PRO 67 CO 0.44 -1.22 1.92 0.00 -0.33 0.00 0.00 177.00 177.82 2k5c h ARG 68 N 0.14 0.00 0.08 5.54 3.08 -2.00 -3.11 114.38 118.11 2k5c h ARG 68 Ca -0.47 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.30 2k5c h ARG 68 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2k5c h ARG 68 CO 0.54 0.00 -1.41 0.00 -1.07 0.00 0.00 179.97 178.03 2k5c h ARG 69 N 0.00 0.17 0.00 0.04 3.08 -2.02 -3.35 114.38 112.29 2k5c h ARG 69 Ca 0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 2k5c h ARG 69 Cb 0.37 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2k5c h ARG 69 CO 0.00 1.02 -0.43 0.93 -1.07 0.00 0.00 179.97 180.42 2k5c h GLU 70 N 0.05 0.00 -0.14 0.04 5.08 -1.93 -3.17 114.58 114.50 2k5c h GLU 70 Ca -0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2k5c h GLU 70 Cb 1.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 2k5c h GLU 70 CO 0.15 0.43 -0.13 0.00 -1.00 0.00 0.00 179.01 178.45 2k5c h ALA 71 N 1.57 1.52 0.00 3.43 0.00 -1.69 -2.73 119.26 121.36 2k5c h ALA 71 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2k5c h ALA 71 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k5c h ALA 71 CO 0.06 0.34 -0.48 0.93 0.00 0.00 0.00 179.25 180.10 2k5c h GLU 72 N 0.21 0.00 0.00 0.00 5.08 -1.71 -3.18 114.58 114.98 2k5c h GLU 72 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2k5c h GLU 72 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k5c h GLU 72 CO 0.02 0.48 -0.36 0.87 -1.00 0.00 0.00 179.01 179.02 2k5c h LYS 73 N 0.00 0.00 -0.56 2.33 1.57 -1.57 -3.14 116.57 115.20 2k5c h LYS 73 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2k5c h LYS 73 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 2k5c h LYS 73 CO 0.06 0.36 -0.08 0.28 -0.57 0.00 0.00 179.45 179.50 2k5c h VAL 74 N 0.00 1.27 -0.10 0.50 2.07 -1.55 -2.97 116.25 115.47 2k5c h VAL 74 Ca -0.00 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.30 2k5c h VAL 74 Cb 0.69 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k5c h VAL 74 CO 0.05 0.44 0.08 -0.26 0.02 0.00 0.00 177.57 177.90 2k5c h PHE 75 N 0.94 0.00 -0.20 1.57 0.04 -1.66 -3.13 116.94 114.49 2k5c h PHE 75 Ca 0.15 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.78 2k5c h PHE 75 Cb 0.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 2k5c h PHE 75 CO 0.05 0.00 -0.43 1.49 -0.60 0.00 0.00 178.31 178.82 2k5c h GLU 76 N 0.00 0.65 -0.40 1.51 4.81 -1.60 -2.08 114.58 117.47 2k5c h GLU 76 Ca 0.05 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 2k5c h GLU 76 Cb 0.21 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2k5c h GLU 76 CO -0.00 1.04 -0.18 1.37 -0.73 0.00 0.00 179.01 180.51 2k5c h LEU 77 N 0.34 0.76 -0.45 1.64 8.10 -1.60 -0.85 115.31 123.25 2k5c h LEU 77 Ca 0.00 -0.26 -0.17 0.00 0.11 0.00 0.00 57.88 57.57 2k5c h LEU 77 Cb 1.03 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 41.04 2k5c h LEU 77 CO 0.09 0.94 -0.54 -0.07 -4.11 0.00 0.00 178.44 174.75 2k5c h LEU 78 N 0.67 0.74 0.05 0.17 3.38 -1.63 -3.33 115.31 115.36 2k5c h LEU 78 Ca 0.10 -0.39 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 2k5c h LEU 78 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k5c h LEU 78 CO 0.05 1.14 -1.14 0.78 0.09 0.00 0.00 178.44 179.36 2k5c h ASN 79 N 0.51 0.16 -2.05 -0.43 4.21 -1.35 -3.38 115.58 113.26 2k5c h ASN 79 Ca 0.01 -0.18 -0.79 0.00 1.21 0.00 0.00 56.30 56.56 2k5c h ASN 79 Cb 1.11 -0.05 -0.25 0.00 -1.12 0.00 0.00 38.32 38.01 2k5c h ASN 79 CO 0.11 1.14 1.18 -0.67 -1.29 0.00 0.00 177.43 177.90 2k5c n ASP 80 N -3.40 7.45 -4.86 5.81 -0.08 -0.33 -5.00 116.55 116.13 2k5c n ASP 80 Ca -0.04 -3.64 -0.35 0.00 -1.51 0.00 0.00 54.79 49.25 2k5c n ASP 80 Cb 0.98 -1.17 -0.06 0.00 2.34 0.00 0.00 41.12 43.21 2k5c n ASP 80 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2k5c s PHE 81 N -3.86 3.58 0.01 -0.67 5.36 -1.26 -4.90 117.98 116.23 2k5c s PHE 81 Ca 0.44 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 2k5c s PHE 81 Cb 0.24 -2.24 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 2k5c s PHE 81 CO -0.18 0.46 0.00 1.63 -1.46 0.00 0.00 175.22 175.67 2k5c n LYS 82 N 0.75 -0.69 0.00 10.12 5.02 -1.26 -5.06 118.16 127.05 2k5c n LYS 82 Ca -0.06 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2k5c n LYS 82 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 2k5c n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5c n GLY 83 N 0.24 -0.51 0.77 0.72 0.00 -1.26 -4.97 105.19 100.18 2k5c n GLY 83 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 5.15 3.11 -0.02 0.00 -1.26 -5.01 105.19 107.17 2k5c n GLY 84 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.29 2.02 -0.08 -0.61 1.09 -1.26 -3.45 121.20 115.62 2k5c s ILE 85 Ca 0.39 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 59.06 2k5c s ILE 85 Cb 0.37 -1.83 0.01 0.00 -1.06 0.00 0.00 42.46 39.96 2k5c s ILE 85 CO -0.06 0.53 -0.17 -1.81 -0.10 0.00 0.00 174.94 173.33 2k5c s ASP 86 N 1.30 2.33 0.07 3.58 1.01 -0.69 -4.94 116.67 119.33 2k5c s ASP 86 Ca 0.05 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 52.92 2k5c s ASP 86 Cb -0.13 -1.06 -0.25 0.00 1.01 0.00 0.00 42.92 42.49 2k5c s ASP 86 CO -0.13 0.09 1.12 -0.50 0.21 0.00 0.00 175.17 175.97 2k5c h TRP 87 N 6.84 0.24 0.12 4.23 4.06 -1.98 -2.29 115.95 127.17 2k5c h TRP 87 Ca -0.26 -0.18 -0.27 0.00 2.06 0.00 0.00 58.89 60.24 2k5c h TRP 87 Cb 1.21 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2k5c h TRP 87 CO 0.48 1.16 -1.22 0.93 -3.56 0.00 0.00 178.44 176.22 2k5c h GLU 88 N 0.04 0.33 0.00 0.49 5.08 -1.99 -3.35 114.58 115.18 2k5c h GLU 88 Ca -0.11 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2k5c h GLU 88 Cb 1.90 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2k5c h GLU 88 CO 0.16 1.23 -1.13 0.09 -1.00 0.00 0.00 179.01 178.36 2k5c n ASN 89 N -3.59 0.58 -3.39 1.42 4.13 -1.26 -5.04 115.26 108.11 2k5c n ASN 89 Ca -0.09 -0.19 -0.17 0.00 1.68 0.00 0.00 54.58 55.81 2k5c n ASN 89 Cb 1.00 0.91 0.09 0.00 -1.54 0.00 0.00 39.78 40.24 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 -2.02 -6.02 -4.63 3.52 5.02 -0.90 -5.05 118.16 108.07 2k5c n LYS 90 Ca 0.01 0.85 -0.33 0.00 -2.02 0.00 0.00 58.31 56.82 2k5c n LYS 90 Cb 0.45 -5.85 -0.14 0.00 -0.02 0.00 0.00 35.03 29.48 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 -5.22 3.42 -0.08 1.97 0.52 -1.00 -4.98 118.95 113.57 2k5c s ARG 91 Ca 0.06 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2k5c s ARG 91 Cb -0.01 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.76 2k5c s ARG 91 CO 0.73 0.17 -0.18 0.08 0.02 0.00 0.00 175.30 176.12 2k5c s VAL 92 N 0.47 1.59 -0.04 3.52 1.01 -1.26 -1.71 120.40 123.98 2k5c s VAL 92 Ca -0.08 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2k5c s VAL 92 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2k5c s VAL 92 CO 0.04 0.45 -0.23 -0.54 0.00 0.00 0.00 175.10 174.82 2k5c s LYS 93 N 0.44 2.18 -0.08 2.72 -0.14 -1.22 -4.94 119.74 118.69 2k5c s LYS 93 Ca -0.15 -0.83 0.04 0.00 -1.36 0.00 0.00 55.97 53.66 2k5c s LYS 93 Cb -0.16 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 2k5c s LYS 93 CO 0.06 0.40 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.34 2k5c s LEU 94 N -0.27 1.95 0.00 3.17 1.43 -1.26 -4.94 118.68 118.76 2k5c s LEU 94 Ca 0.01 -0.47 0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2k5c s LEU 94 Cb -0.12 -1.21 0.12 0.00 0.03 0.00 0.00 46.19 45.01 2k5c s LEU 94 CO 0.02 0.13 0.98 0.29 0.23 0.00 0.00 176.35 178.00