#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 3.36 -0.10 3.04 0.00 -1.04 -4.93 121.76 122.09 2k5c s ALA 9 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2k5c s ALA 9 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2k5c s ALA 9 CO 0.00 0.54 0.00 0.15 0.00 0.00 0.00 175.76 176.45 2k5c s LYS 10 N -0.74 3.10 0.07 0.00 1.02 -1.26 -0.48 119.74 121.45 2k5c s LYS 10 Ca 0.12 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 55.39 2k5c s LYS 10 Cb -0.12 -2.83 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 2k5c s LYS 10 CO 0.02 0.64 1.21 0.00 -0.92 0.00 0.00 175.35 176.31 2k5c n PRO 12 N 3.85 0.08 -0.10 0.00 -0.02 -1.26 -1.41 135.00 136.13 2k5c n PRO 12 Ca 0.09 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2k5c n PRO 12 Cb 0.46 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 2k5c n PRO 12 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k5c n ILE 13 N -1.78 1.49 -0.11 4.25 -0.00 -1.26 -4.82 119.36 117.13 2k5c n ILE 13 Ca 0.04 0.02 -0.16 0.00 -0.00 0.00 0.00 62.75 62.64 2k5c n ILE 13 Cb 0.23 -2.18 -0.10 0.00 -0.00 0.00 0.00 39.64 37.59 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 2.36 1.05 3.86 0.00 0.00 -0.50 -5.00 105.19 106.95 2k5c n GLY 15 Ca -0.39 -0.43 -0.35 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 -2.54 6.72 0.24 1.61 0.01 -1.26 -4.71 113.70 113.77 2k5c s SER 16 Ca 0.00 0.90 -0.30 0.00 1.31 0.00 0.00 55.95 57.87 2k5c s SER 16 Cb 0.00 -2.22 -0.10 0.00 0.21 0.00 0.00 66.02 63.91 2k5c s SER 16 CO 0.00 0.16 1.39 -2.16 0.41 0.00 0.00 173.24 173.04 2k5c s PRO 17 N -1.86 4.31 0.05 12.44 0.04 -1.26 -3.15 135.00 145.57 2k5c s PRO 17 Ca 0.34 2.23 0.09 0.00 0.04 0.00 0.00 61.00 63.70 2k5c s PRO 17 Cb -0.15 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2k5c s PRO 17 CO 0.18 -0.35 -0.26 -0.51 0.04 0.00 0.00 177.00 176.09 2k5c s LEU 18 N -0.45 2.18 -0.13 -3.56 1.43 0.37 -4.99 118.68 113.53 2k5c s LEU 18 Ca 0.58 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2k5c s LEU 18 Cb -0.40 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2k5c s LEU 18 CO 0.43 0.25 0.47 -0.54 0.23 0.00 0.00 176.35 177.19 2k5c s LYS 19 N -1.32 4.31 0.45 1.70 1.02 -1.26 -2.51 119.74 122.13 2k5c s LYS 19 Ca 0.12 0.42 0.22 0.00 0.02 0.00 0.00 55.97 56.75 2k5c s LYS 19 Cb -0.10 -3.46 1.03 0.00 -0.52 0.00 0.00 37.83 34.78 2k5c s LYS 19 CO 0.02 0.11 1.89 -1.49 -0.92 0.00 0.00 175.35 174.97 2k5c h TRP 20 N 6.85 0.00 -0.08 3.18 4.06 -1.98 -3.07 115.95 124.91 2k5c h TRP 20 Ca -0.40 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.43 2k5c h TRP 20 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 2k5c h TRP 20 CO 0.63 0.24 -0.49 0.93 -3.56 0.00 0.00 178.44 176.20 2k5c h GLU 21 N 0.00 0.21 0.02 0.49 5.08 -1.94 -3.06 114.58 115.38 2k5c h GLU 21 Ca -0.00 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 2k5c h GLU 21 Cb 0.62 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k5c h GLU 21 CO 0.03 0.66 -0.95 0.93 -1.00 0.00 0.00 179.01 178.68 2k5c h GLU 22 N 0.17 0.28 -0.55 2.33 5.08 -1.92 -2.77 114.58 117.20 2k5c h GLU 22 Ca 0.01 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 2k5c h GLU 22 Cb 0.93 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2k5c h GLU 22 CO 0.07 1.04 0.03 1.25 -1.00 0.00 0.00 179.01 180.41 2k5c h LEU 23 N 0.15 0.93 0.15 1.33 5.85 -1.56 -2.30 115.31 119.87 2k5c h LEU 23 Ca -0.07 -0.29 -0.30 0.00 0.84 0.00 0.00 57.88 58.06 2k5c h LEU 23 Cb 1.59 -0.25 0.03 0.00 0.37 0.00 0.00 40.66 42.40 2k5c h LEU 23 CO 0.15 0.99 -1.32 0.40 -0.34 0.00 0.00 178.44 178.33 2k5c h ILE 24 N 0.84 1.34 -0.36 4.05 1.08 -1.66 -3.08 117.51 119.72 2k5c h ILE 24 Ca 0.16 -2.68 -0.07 0.00 -0.39 0.00 0.00 64.86 61.88 2k5c h ILE 24 Cb 0.50 2.86 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 2k5c h ILE 24 CO 0.02 0.80 -0.09 -0.08 -0.69 0.00 0.00 178.15 178.12 2k5c h GLU 25 N 0.18 0.60 0.00 2.37 4.81 -1.54 -1.95 114.58 119.05 2k5c h GLU 25 Ca -0.20 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 2k5c h GLU 25 Cb 2.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 2k5c h GLU 25 CO 0.24 0.68 -0.44 0.93 -0.73 0.00 0.00 179.01 179.69 2k5c h GLU 26 N 0.56 0.00 -0.63 1.92 5.08 -1.55 -3.31 114.58 116.65 2k5c h GLU 26 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2k5c h GLU 26 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k5c h GLU 26 CO 0.03 0.39 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 2k5c n MET 27 N -3.18 2.69 -0.26 2.33 2.81 -1.13 -4.46 117.12 115.91 2k5c n MET 27 Ca 0.02 -2.52 0.05 0.00 -1.81 0.00 0.00 57.70 53.43 2k5c n MET 27 Cb 0.70 -1.52 0.17 0.00 -0.71 0.00 0.00 33.22 31.85 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 1.49 2.35 -0.16 4.03 7.94 -0.75 -4.04 117.00 127.87 2k5c n LEU 28 Ca 0.22 -1.18 0.13 0.00 -1.11 0.00 0.00 56.01 54.07 2k5c n LEU 28 Cb 0.60 -0.36 0.39 0.00 0.53 0.00 0.00 43.42 44.58 2k5c n LEU 28 CO 0.15 0.46 0.65 2.30 -1.11 0.00 0.00 177.39 179.84 2k5c n ILE 29 N 0.45 0.00 -3.77 1.96 -5.35 -1.26 -4.91 119.36 106.49 2k5c n ILE 29 Ca 0.12 -0.08 -0.37 0.00 -0.27 0.00 0.00 62.75 62.15 2k5c n ILE 29 Cb 0.43 0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.64 5.36 -0.46 7.28 1.01 -1.26 -5.03 121.20 125.47 2k5c s ILE 30 Ca 0.21 0.35 0.23 0.00 0.00 0.00 0.00 60.65 61.45 2k5c s ILE 30 Cb 0.19 -3.51 0.27 0.00 0.01 0.00 0.00 42.46 39.43 2k5c s ILE 30 CO 0.56 0.56 1.54 -0.33 0.00 0.00 0.00 174.94 177.27 2k5c h GLU 31 N 4.73 0.00 0.00 2.79 5.08 -1.95 -3.29 114.58 121.94 2k5c h GLU 31 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2k5c h GLU 31 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k5c h GLU 31 CO 0.60 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.70 2k5c h ASN 32 N 0.00 0.00 -0.69 1.42 4.21 -1.99 -3.34 115.58 115.18 2k5c h ASN 32 Ca 0.00 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.58 2k5c h ASN 32 Cb 0.95 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.11 2k5c h ASN 32 CO 0.00 0.00 0.45 0.15 -1.29 0.00 0.00 177.43 176.74 2k5c h PHE 33 N 0.00 0.70 0.00 1.19 3.57 -1.93 -1.43 116.94 119.05 2k5c h PHE 33 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k5c h PHE 33 Cb 0.94 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k5c h PHE 33 CO 0.00 0.37 -0.08 0.93 -2.23 0.00 0.00 178.31 177.30 2k5c h GLU 34 N 0.69 0.00 0.06 1.11 5.08 -1.81 -0.88 114.58 118.84 2k5c h GLU 34 Ca 0.30 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.35 2k5c h GLU 34 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k5c h GLU 34 CO -0.10 0.08 -1.66 0.93 -1.00 0.00 0.00 179.01 177.26 2k5c h GLU 35 N 0.00 0.13 -0.29 2.33 5.08 -1.54 -3.39 114.58 116.90 2k5c h GLU 35 Ca -0.00 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 2k5c h GLU 35 Cb 0.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k5c h GLU 35 CO 0.01 0.87 -0.53 0.82 -1.00 0.00 0.00 179.01 179.18 2k5c h ILE 36 N 0.04 1.28 -0.06 3.13 2.04 -1.05 -3.30 117.51 119.59 2k5c h ILE 36 Ca -0.28 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 63.88 2k5c h ILE 36 Cb 2.00 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.71 2k5c h ILE 36 CO 0.11 0.56 0.07 -0.37 0.00 0.00 0.00 178.15 178.52 2k5c h VAL 37 N 0.65 0.42 0.00 1.67 -1.51 -1.36 -1.79 116.25 114.33 2k5c h VAL 37 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2k5c h VAL 37 Cb 1.14 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2k5c h VAL 37 CO 0.12 0.00 -0.59 0.11 -1.23 0.00 0.00 177.57 175.98 2k5c h LYS 38 N 0.00 0.00 -4.31 5.19 1.57 -1.76 -3.45 116.57 113.81 2k5c h LYS 38 Ca 0.03 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.19 2k5c h LYS 38 Cb 0.18 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.10 2k5c h LYS 38 CO -0.00 0.00 -0.77 -0.51 -0.57 0.00 0.00 179.45 177.60 2k5c s ASP 39 N -4.34 4.09 0.44 0.86 1.01 -0.67 -5.02 116.67 113.03 2k5c s ASP 39 Ca 0.06 -1.46 0.11 0.00 0.71 0.00 0.00 52.55 51.97 2k5c s ASP 39 Cb 0.13 -1.23 0.98 0.00 1.01 0.00 0.00 42.92 43.81 2k5c s ASP 39 CO 0.71 -0.29 2.06 0.03 0.21 0.00 0.00 175.17 177.89 2k5c h ARG 40 N 7.90 0.40 -0.04 8.23 3.08 -1.87 -2.18 114.38 129.89 2k5c h ARG 40 Ca -0.14 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 2k5c h ARG 40 Cb 1.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2k5c h ARG 40 CO 0.45 0.26 -0.50 1.49 -1.07 0.00 0.00 179.97 180.60 2k5c h GLU 41 N 0.41 0.11 0.08 0.04 4.81 -1.95 -2.76 114.58 115.33 2k5c h GLU 41 Ca 0.15 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 59.05 2k5c h GLU 41 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k5c h GLU 41 CO -0.03 0.59 -1.30 0.00 -0.73 0.00 0.00 179.01 177.53 2k5c h ARG 42 N 0.09 0.18 -0.14 1.92 3.08 -1.79 -3.22 114.38 114.50 2k5c h ARG 42 Ca 0.00 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.63 2k5c h ARG 42 Cb 0.91 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2k5c h ARG 42 CO 0.07 1.08 -0.39 0.35 -1.07 0.00 0.00 179.97 180.01 2k5c h PHE 43 N 0.05 0.67 -0.04 3.04 3.04 -1.42 -1.66 116.94 120.62 2k5c h PHE 43 Ca -0.15 -0.26 -0.12 0.00 3.98 0.00 0.00 57.97 61.43 2k5c h PHE 43 Cb 1.94 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.32 2k5c h PHE 43 CO 0.04 1.01 -0.51 -0.07 -2.02 0.00 0.00 178.31 176.76 2k5c h LEU 44 N 0.14 0.13 0.00 0.59 3.38 -1.67 -2.52 115.31 115.36 2k5c h LEU 44 Ca -0.01 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2k5c h LEU 44 Cb 1.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2k5c h LEU 44 CO 0.08 0.62 -0.83 0.00 0.09 0.00 0.00 178.44 178.40 2k5c h ALA 45 N 1.39 0.59 0.17 1.53 0.00 -1.63 -3.23 119.26 118.08 2k5c h ALA 45 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 54.91 53.92 2k5c h ALA 45 Cb 0.93 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2k5c h ALA 45 CO 0.07 0.88 -1.33 1.96 0.00 0.00 0.00 179.25 180.83 2k5c h GLN 46 N 0.00 0.47 -0.49 0.00 1.08 -1.25 -3.05 115.11 111.88 2k5c h GLN 46 Ca -0.04 -0.74 -0.13 0.00 -1.45 0.00 0.00 58.65 56.28 2k5c h GLN 46 Cb 1.55 0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 29.23 2k5c h GLN 46 CO 0.08 1.34 -0.21 0.28 -0.95 0.00 0.00 178.83 179.37 2k5c h VAL 47 N 0.16 1.27 0.00 -0.54 2.07 -1.60 -0.34 116.25 117.26 2k5c h VAL 47 Ca -0.20 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 2k5c h VAL 47 Cb 2.02 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2k5c h VAL 47 CO 0.24 0.48 -0.28 -0.33 0.02 0.00 0.00 177.57 177.70 2k5c h GLU 48 N 0.87 0.00 0.00 1.57 5.08 -1.69 -2.66 114.58 117.74 2k5c h GLU 48 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k5c h GLU 48 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k5c h GLU 48 CO 0.07 0.28 -1.45 0.39 -1.00 0.00 0.00 179.01 177.29 2k5c n GLU 49 N -3.46 0.38 -3.51 2.33 1.02 -1.15 -3.39 120.64 112.87 2k5c n GLU 49 Ca -0.00 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 2k5c n GLU 49 Cb 0.45 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.29 3.46 -0.07 -0.32 0.08 -0.15 -5.00 117.98 112.69 2k5c s PHE 50 Ca -0.00 0.68 -0.09 0.00 0.12 0.00 0.00 56.93 57.63 2k5c s PHE 50 Cb 0.14 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2k5c s PHE 50 CO 0.87 0.31 0.23 0.08 -0.10 0.00 0.00 175.22 176.61 2k5c s VAL 51 N -1.82 5.36 0.05 -0.44 1.01 -1.26 -3.55 120.40 119.74 2k5c s VAL 51 Ca 0.44 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.84 2k5c s VAL 51 Cb -0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2k5c s VAL 51 CO 0.25 0.57 -0.16 -0.36 0.00 0.00 0.00 175.10 175.40 2k5c s PHE 52 N -1.08 1.41 -0.06 5.22 0.08 -0.48 -4.98 117.98 118.09 2k5c s PHE 52 Ca 0.19 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 2k5c s PHE 52 Cb -0.13 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2k5c s PHE 52 CO 0.08 0.06 0.05 0.15 -0.10 0.00 0.00 175.22 175.47 2k5c s LYS 53 N -1.27 3.06 -0.09 0.44 1.02 -1.26 -2.49 119.74 119.15 2k5c s LYS 53 Ca 0.03 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 2k5c s LYS 53 Cb -0.08 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2k5c s LYS 53 CO 0.02 0.69 0.52 0.00 -0.92 0.00 0.00 175.35 175.66 2k5c n PRO 55 N 3.43 0.03 -0.12 0.00 -0.04 -1.26 -1.21 135.00 135.83 2k5c n PRO 55 Ca -0.07 0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2k5c n PRO 55 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2k5c n VAL 56 N -1.48 1.46 -0.09 0.52 0.31 -1.26 -4.84 118.33 112.96 2k5c n VAL 56 Ca 0.05 -0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.05 2k5c n VAL 56 Cb 0.23 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.06 2k5c n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5c n GLY 58 N 1.53 0.79 3.92 0.00 0.00 -0.35 -5.00 105.19 106.07 2k5c n GLY 58 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.72 2.78 -0.06 1.61 2.02 -1.26 -4.70 118.70 118.38 2k5c s GLU 59 Ca 0.00 -0.07 -0.17 0.00 0.02 0.00 0.00 54.97 54.75 2k5c s GLU 59 Cb 0.00 -2.26 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2k5c s GLU 59 CO 0.00 -0.80 0.46 -1.21 0.02 0.00 0.00 175.26 173.73 2k5c s GLU 60 N -5.03 4.19 0.03 1.61 2.02 -1.26 -3.39 118.70 116.86 2k5c s GLU 60 Ca 0.55 0.45 -0.05 0.00 0.02 0.00 0.00 54.97 55.95 2k5c s GLU 60 Cb -0.11 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 2k5c s GLU 60 CO 0.45 0.38 0.08 -0.59 0.02 0.00 0.00 175.26 175.60 2k5c s PHE 61 N -0.11 0.20 0.15 1.61 -0.71 -1.04 -5.00 117.98 113.07 2k5c s PHE 61 Ca 0.25 -0.47 0.05 0.00 -1.04 0.00 0.00 56.93 55.72 2k5c s PHE 61 Cb -0.16 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2k5c s PHE 61 CO 0.12 -0.32 0.10 0.71 -1.34 0.00 0.00 175.22 174.49 2k5c s TYR 62 N -2.26 3.11 -1.88 3.49 1.51 -1.26 -1.38 117.35 118.67 2k5c s TYR 62 Ca -0.08 -0.02 0.27 0.00 -1.01 0.00 0.00 57.07 56.23 2k5c s TYR 62 Cb -0.03 -1.51 1.56 0.00 -0.11 0.00 0.00 41.96 41.86 2k5c s TYR 62 CO -0.03 0.52 1.95 0.41 -1.11 0.00 0.00 175.55 177.29 2k5c n GLY 63 N -0.17 -0.91 0.12 0.71 0.00 -1.01 -3.17 105.19 100.76 2k5c n GLY 63 Ca -0.09 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.31 116.57 116.52 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 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 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 -2.51 0.26 -2.59 1.00 -2.24 -1.19 -4.99 114.28 102.01 2k5c n THR 65 Ca 0.03 -0.52 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2k5c n THR 65 Cb 0.49 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.67 3.76 0.60 3.22 1.02 -1.24 -5.02 118.68 119.34 2k5c s LEU 66 Ca 0.35 1.59 -0.19 0.00 0.02 0.00 0.00 54.13 55.89 2k5c s LEU 66 Cb 0.20 -4.49 -0.03 0.00 0.02 0.00 0.00 46.19 41.90 2k5c s LEU 66 CO 0.30 -0.49 1.23 -2.84 0.02 0.00 0.00 176.35 174.57 2k5c s PRO 67 N -3.70 2.90 0.48 1.29 0.02 -1.26 -4.96 135.00 129.76 2k5c s PRO 67 Ca 0.60 1.89 0.32 0.00 0.02 0.00 0.00 61.00 63.83 2k5c s PRO 67 Cb -0.10 -1.92 1.57 0.00 0.02 0.00 0.00 34.50 34.07 2k5c s PRO 67 CO 0.24 -1.28 1.98 0.00 -0.33 0.00 0.00 177.00 177.61 2k5c h ARG 68 N 0.84 0.00 0.07 5.54 3.08 -1.99 -2.87 114.38 119.06 2k5c h ARG 68 Ca -0.51 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.28 2k5c h ARG 68 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2k5c h ARG 68 CO 0.55 0.00 -1.31 0.00 -1.07 0.00 0.00 179.97 178.13 2k5c h ARG 69 N 0.00 0.15 -0.00 0.04 3.08 -2.01 -3.33 114.38 112.31 2k5c h ARG 69 Ca 0.00 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 2k5c h ARG 69 Cb 0.22 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2k5c h ARG 69 CO 0.00 1.04 -0.56 0.93 -1.07 0.00 0.00 179.97 180.31 2k5c h GLU 70 N 0.04 0.01 -0.36 0.04 5.08 -1.90 -3.21 114.58 114.28 2k5c h GLU 70 Ca -0.15 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2k5c h GLU 70 Cb 1.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 2k5c h GLU 70 CO 0.15 0.57 -0.17 0.00 -1.00 0.00 0.00 179.01 178.56 2k5c h ALA 71 N 1.43 1.02 0.00 3.43 0.00 -1.66 -2.99 119.26 120.49 2k5c h ALA 71 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2k5c h ALA 71 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k5c h ALA 71 CO 0.07 0.59 -0.25 0.93 0.00 0.00 0.00 179.25 180.59 2k5c h GLU 72 N 0.60 0.00 0.00 0.00 5.08 -1.66 -3.07 114.58 115.53 2k5c h GLU 72 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2k5c h GLU 72 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k5c h GLU 72 CO 0.04 0.25 -0.59 0.87 -1.00 0.00 0.00 179.01 178.59 2k5c h LYS 73 N 0.00 0.00 -0.54 2.33 1.57 -1.53 -3.31 116.57 115.08 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 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2k5c h LYS 73 CO 0.03 0.59 -0.11 0.28 -0.57 0.00 0.00 179.45 179.67 2k5c h VAL 74 N 0.00 1.27 0.00 0.50 2.07 -1.44 -3.14 116.25 115.50 2k5c h VAL 74 Ca -0.01 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2k5c h VAL 74 Cb 1.19 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2k5c h VAL 74 CO 0.08 0.45 -0.03 0.15 0.02 0.00 0.00 177.57 178.24 2k5c h PHE 75 N 0.91 0.00 -0.28 1.57 3.04 -1.66 -3.14 116.94 117.38 2k5c h PHE 75 Ca 0.14 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.92 2k5c h PHE 75 Cb 0.67 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 2k5c h PHE 75 CO 0.04 0.03 -0.49 1.49 -2.02 0.00 0.00 178.31 177.36 2k5c h GLU 76 N 0.00 0.82 -0.18 1.11 4.81 -1.69 -2.50 114.58 116.95 2k5c h GLU 76 Ca -0.00 -0.52 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 2k5c h GLU 76 Cb 0.05 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2k5c h GLU 76 CO 0.00 1.15 -0.47 1.37 -0.73 0.00 0.00 179.01 180.33 2k5c h LEU 77 N 0.59 0.50 -0.09 1.64 8.10 -1.63 -2.85 115.31 121.57 2k5c h LEU 77 Ca 0.02 -0.24 -0.08 0.00 0.11 0.00 0.00 57.88 57.68 2k5c h LEU 77 Cb 1.10 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.17 2k5c h LEU 77 CO 0.11 0.89 -0.40 -0.07 -4.11 0.00 0.00 178.44 174.86 2k5c h LEU 78 N 0.37 0.00 0.00 0.17 3.38 -1.63 -3.30 115.31 114.30 2k5c h LEU 78 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5c h LEU 78 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k5c h LEU 78 CO 0.08 0.40 -0.39 0.59 0.09 0.00 0.00 178.44 179.22 2k5c n ASN 79 N -3.22 0.72 -0.09 -0.43 4.13 -0.94 -4.18 115.26 111.25 2k5c n ASN 79 Ca 0.02 0.28 -0.05 0.00 1.68 0.00 0.00 54.58 56.50 2k5c n ASN 79 Cb 0.68 -0.18 0.14 0.00 -1.54 0.00 0.00 39.78 38.88 2k5c n ASN 79 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2k5c h ASP 80 N 0.00 0.74 0.00 6.41 3.32 -1.58 -3.47 116.42 121.84 2k5c h ASP 80 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2k5c h ASP 80 Cb 0.73 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2k5c h ASP 80 CO 0.00 0.86 0.00 0.49 -1.72 0.00 0.00 179.24 178.87 2k5c n PHE 81 N -4.18 0.00 -4.66 4.55 3.01 -1.26 -4.67 117.46 110.25 2k5c n PHE 81 Ca 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 2k5c n PHE 81 Cb 0.35 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 2k5c n PHE 81 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2k5c s LYS 82 N 0.00 1.39 0.00 -1.08 1.02 -1.26 -5.02 119.74 114.79 2k5c s LYS 82 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2k5c s LYS 82 Cb 0.00 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 2k5c s LYS 82 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2k5c n GLY 83 N 3.10 -1.22 2.38 -3.33 0.00 -1.26 -5.03 105.19 99.83 2k5c n GLY 83 Ca -0.17 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.35 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 4.91 3.17 -0.02 0.00 -1.26 -5.04 105.19 106.95 2k5c n GLY 84 Ca 0.00 -2.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 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 -4.59 2.17 -0.08 -0.61 1.09 -1.26 -3.22 121.20 114.71 2k5c s ILE 85 Ca 0.43 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 59.07 2k5c s ILE 85 Cb 0.40 -1.89 0.01 0.00 -1.06 0.00 0.00 42.46 39.92 2k5c s ILE 85 CO -0.05 0.54 -0.13 -0.62 -0.10 0.00 0.00 174.94 174.58 2k5c s ASP 86 N 0.96 1.97 0.22 3.58 -1.08 -0.76 -5.00 116.67 116.56 2k5c s ASP 86 Ca -0.03 -0.33 0.13 0.00 -0.52 0.00 0.00 52.55 51.80 2k5c s ASP 86 Cb -0.15 -0.90 -0.02 0.00 -1.46 0.00 0.00 42.92 40.39 2k5c s ASP 86 CO -0.05 0.03 1.35 -0.50 0.52 0.00 0.00 175.17 176.52 2k5c h TRP 87 N 7.09 0.00 0.21 -5.34 4.06 -1.98 -1.92 115.95 118.07 2k5c h TRP 87 Ca -0.30 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.33 2k5c h TRP 87 Cb 1.19 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.37 2k5c h TRP 87 CO 0.48 0.64 -1.46 0.93 -3.56 0.00 0.00 178.44 175.47 2k5c h GLU 88 N 0.00 0.44 0.00 0.49 5.08 -1.99 -3.37 114.58 115.23 2k5c h GLU 88 Ca -0.02 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2k5c h GLU 88 Cb 1.50 0.28 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2k5c h GLU 88 CO 0.08 1.35 -1.25 0.09 -1.00 0.00 0.00 179.01 178.29 2k5c n ASN 89 N -3.64 0.59 -3.29 1.42 4.13 -1.26 -5.05 115.26 108.16 2k5c n ASN 89 Ca -0.16 -0.41 -0.16 0.00 1.68 0.00 0.00 54.58 55.54 2k5c n ASN 89 Cb 1.08 1.14 0.08 0.00 -1.54 0.00 0.00 39.78 40.54 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 -1.88 -4.02 -4.92 3.52 5.02 -0.75 -5.06 118.16 110.07 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 0.43 -5.78 -0.15 0.00 -0.02 0.00 0.00 35.03 29.51 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 -4.77 3.26 -0.10 1.97 0.52 -1.02 -5.00 118.95 113.81 2k5c s ARG 91 Ca 0.26 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2k5c s ARG 91 Cb -0.03 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2k5c s ARG 91 CO 0.72 0.21 -0.17 0.08 0.02 0.00 0.00 175.30 176.16 2k5c s VAL 92 N 0.32 1.62 -0.05 3.52 1.01 -1.26 -1.83 120.40 123.74 2k5c s VAL 92 Ca -0.13 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.18 2k5c s VAL 92 Cb -0.16 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2k5c s VAL 92 CO 0.07 0.46 -0.25 -0.54 0.00 0.00 0.00 175.10 174.84 2k5c s LYS 93 N 0.75 2.43 -0.14 2.72 1.02 -1.20 -4.87 119.74 120.46 2k5c s LYS 93 Ca -0.11 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 2k5c s LYS 93 Cb -0.16 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2k5c s LYS 93 CO 0.02 0.44 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.27 2k5c s LEU 94 N -0.31 2.80 0.00 3.17 2.01 -1.26 -4.84 118.68 120.25 2k5c s LEU 94 Ca 0.01 -0.31 0.08 0.00 0.01 0.00 0.00 54.13 53.93 2k5c s LEU 94 Cb -0.13 -1.64 0.07 0.00 0.01 0.00 0.00 46.19 44.50 2k5c s LEU 94 CO 0.02 0.15 0.76 0.29 1.01 0.00 0.00 176.35 178.59