#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 3.20 -0.06 3.04 0.00 -1.18 -4.94 121.76 121.82 2k5c s ALA 9 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2k5c s ALA 9 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2k5c s ALA 9 CO 0.00 0.55 -0.15 0.15 0.00 0.00 0.00 175.76 176.31 2k5c s LYS 10 N -0.74 2.58 -0.03 0.00 1.02 -1.26 -0.47 119.74 120.84 2k5c s LYS 10 Ca 0.11 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2k5c s LYS 10 Cb -0.11 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 2k5c s LYS 10 CO 0.02 0.58 1.45 0.00 -0.92 0.00 0.00 175.35 176.48 2k5c n PRO 12 N 5.99 0.07 -0.10 0.00 -0.04 -1.26 -1.43 135.00 138.23 2k5c n PRO 12 Ca 0.14 0.24 -0.17 0.00 -0.04 0.00 0.00 63.50 63.68 2k5c n PRO 12 Cb 0.43 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.74 1.49 -0.11 0.52 -0.00 -1.26 -4.80 119.36 113.47 2k5c n ILE 13 Ca 0.04 0.02 -0.16 0.00 -0.00 0.00 0.00 62.75 62.65 2k5c n ILE 13 Cb 0.24 -2.15 -0.10 0.00 -0.00 0.00 0.00 39.64 37.63 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 2.38 1.62 3.85 0.00 0.00 -0.51 -5.04 105.19 107.48 2k5c n GLY 15 Ca -0.39 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2k5c n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5c s SER 16 N -2.21 6.74 0.30 1.61 0.15 -1.26 -4.76 113.70 114.27 2k5c s SER 16 Ca 0.00 0.94 -0.29 0.00 0.70 0.00 0.00 55.95 57.30 2k5c s SER 16 Cb 0.00 -2.24 -0.10 0.00 -1.71 0.00 0.00 66.02 61.98 2k5c s SER 16 CO 0.00 0.15 1.23 -2.84 1.20 0.00 0.00 173.24 172.98 2k5c s PRO 17 N -1.87 4.46 0.04 5.44 0.02 -1.26 -2.63 135.00 139.20 2k5c s PRO 17 Ca 0.35 2.05 0.09 0.00 0.02 0.00 0.00 61.00 63.51 2k5c s PRO 17 Cb -0.15 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 2k5c s PRO 17 CO 0.18 -0.05 -0.26 -0.51 -0.33 0.00 0.00 177.00 176.03 2k5c s LEU 18 N -1.46 2.17 -0.12 -5.54 1.43 0.38 -5.00 118.68 110.54 2k5c s LEU 18 Ca 0.48 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2k5c s LEU 18 Cb -0.37 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2k5c s LEU 18 CO 0.47 0.25 0.31 -0.54 0.23 0.00 0.00 176.35 177.07 2k5c s LYS 19 N -1.22 4.10 0.43 1.70 1.02 -1.26 -3.13 119.74 121.37 2k5c s LYS 19 Ca 0.11 0.16 0.20 0.00 0.02 0.00 0.00 55.97 56.46 2k5c s LYS 19 Cb -0.10 -3.36 0.95 0.00 -0.52 0.00 0.00 37.83 34.80 2k5c s LYS 19 CO 0.02 0.38 1.87 -1.49 -0.92 0.00 0.00 175.35 175.21 2k5c h TRP 20 N 6.10 0.00 -0.03 3.18 4.06 -1.99 -3.07 115.95 124.20 2k5c h TRP 20 Ca -0.45 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.37 2k5c h TRP 20 Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 2k5c h TRP 20 CO 0.64 0.28 -0.61 0.93 -3.56 0.00 0.00 178.44 176.12 2k5c h GLU 21 N 0.00 0.11 -0.03 0.49 5.08 -1.95 -3.18 114.58 115.10 2k5c h GLU 21 Ca -0.00 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 2k5c h GLU 21 Cb 0.65 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k5c h GLU 21 CO 0.04 0.68 -0.83 0.93 -1.00 0.00 0.00 179.01 178.82 2k5c h GLU 22 N 0.08 0.34 -0.56 2.33 5.08 -1.89 -2.83 114.58 117.11 2k5c h GLU 22 Ca -0.01 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2k5c h GLU 22 Cb 1.09 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k5c h GLU 22 CO 0.09 1.00 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.94 2k5c h LEU 23 N 0.21 1.04 0.15 1.33 3.38 -1.59 -2.22 115.31 117.61 2k5c h LEU 23 Ca -0.05 -0.33 -0.28 0.00 0.09 0.00 0.00 57.88 57.30 2k5c h LEU 23 Cb 1.44 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 41.94 2k5c h LEU 23 CO 0.14 1.14 -1.20 0.40 0.09 0.00 0.00 178.44 179.00 2k5c h ILE 24 N 0.94 1.33 -0.37 1.22 1.08 -1.66 -2.99 117.51 117.06 2k5c h ILE 24 Ca 0.15 -2.50 -0.10 0.00 -0.39 0.00 0.00 64.86 62.01 2k5c h ILE 24 Cb 0.65 2.86 -0.02 0.00 -3.07 0.00 0.00 36.82 37.24 2k5c h ILE 24 CO 0.04 0.75 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.97 2k5c h GLU 25 N 0.12 0.70 0.00 2.37 4.81 -1.57 -2.60 114.58 118.40 2k5c h GLU 25 Ca -0.19 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2k5c h GLU 25 Cb 1.90 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 2k5c h GLU 25 CO 0.23 0.85 -0.10 0.93 -0.73 0.00 0.00 179.01 180.18 2k5c h GLU 26 N 0.62 0.00 -0.46 1.92 5.08 -1.54 -3.30 114.58 116.90 2k5c h GLU 26 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2k5c h GLU 26 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k5c h GLU 26 CO 0.05 0.10 0.00 -1.33 -1.00 0.00 0.00 179.01 176.83 2k5c n MET 27 N -3.13 3.57 -0.69 2.33 2.81 -1.13 -4.55 117.12 116.31 2k5c n MET 27 Ca 0.03 -2.80 0.07 0.00 -1.81 0.00 0.00 57.70 53.18 2k5c n MET 27 Cb 0.54 -1.86 0.33 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.38 4.76 -1.17 4.03 -0.00 -0.99 -4.32 117.00 119.70 2k5c n LEU 28 Ca 0.23 -2.41 0.07 0.00 -0.00 0.00 0.00 56.01 53.90 2k5c n LEU 28 Cb 0.88 -0.62 0.26 0.00 -0.00 0.00 0.00 43.42 43.94 2k5c n LEU 28 CO 0.20 0.61 0.70 -0.38 -0.00 0.00 0.00 177.39 178.53 2k5c n ILE 29 N 0.66 1.15 -4.91 1.96 -0.00 -1.26 -4.91 119.36 112.05 2k5c n ILE 29 Ca 0.23 -0.82 -0.32 0.00 -0.00 0.00 0.00 62.75 61.83 2k5c n ILE 29 Cb 0.97 0.13 -0.13 0.00 -0.00 0.00 0.00 39.64 40.61 2k5c n ILE 29 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2k5c s ILE 30 N -1.61 2.95 -0.60 1.39 1.01 -1.26 -5.04 121.20 118.04 2k5c s ILE 30 Ca 0.37 -0.80 0.25 0.00 0.00 0.00 0.00 60.65 60.47 2k5c s ILE 30 Cb 0.23 -2.16 0.18 0.00 0.01 0.00 0.00 42.46 40.72 2k5c s ILE 30 CO 0.20 0.57 1.51 -0.33 0.00 0.00 0.00 174.94 176.89 2k5c h GLU 31 N 5.27 0.00 0.00 2.79 4.39 -1.97 -3.30 114.58 121.77 2k5c h GLU 31 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2k5c h GLU 31 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2k5c h GLU 31 CO 0.50 0.00 -0.28 -0.91 -1.16 0.00 0.00 179.01 177.16 2k5c h ASN 32 N 0.00 0.00 -0.69 1.42 4.21 -2.01 -3.36 115.58 115.16 2k5c h ASN 32 Ca 0.00 -0.08 0.08 0.00 1.21 0.00 0.00 56.30 57.51 2k5c h ASN 32 Cb 0.81 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.97 2k5c h ASN 32 CO 0.00 0.04 0.45 0.15 -1.29 0.00 0.00 177.43 176.78 2k5c h PHE 33 N 0.00 0.66 0.00 1.19 3.57 -1.94 -1.55 116.94 118.87 2k5c h PHE 33 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k5c h PHE 33 Cb 0.78 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2k5c h PHE 33 CO 0.00 0.33 -0.06 0.93 -2.23 0.00 0.00 178.31 177.28 2k5c h GLU 34 N 0.64 0.00 0.07 1.11 5.08 -1.83 -1.16 114.58 118.49 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 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2k5c h GLU 34 CO -0.10 0.06 -1.61 0.93 -1.00 0.00 0.00 179.01 177.29 2k5c h GLU 35 N 0.00 0.14 -0.27 2.33 5.08 -1.58 -3.39 114.58 116.89 2k5c h GLU 35 Ca -0.00 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 2k5c h GLU 35 Cb 0.11 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k5c h GLU 35 CO 0.01 0.90 -0.57 0.82 -1.00 0.00 0.00 179.01 179.17 2k5c h ILE 36 N 0.04 1.28 0.00 3.13 2.04 -1.16 -3.28 117.51 119.56 2k5c h ILE 36 Ca -0.26 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2k5c h ILE 36 Cb 1.99 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 2k5c h ILE 36 CO 0.12 0.57 0.00 -0.37 0.00 0.00 0.00 178.15 178.47 2k5c h VAL 37 N 0.65 0.00 0.00 1.67 -1.51 -1.40 -2.37 116.25 113.29 2k5c h VAL 37 Ca 0.01 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2k5c h VAL 37 Cb 1.18 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2k5c h VAL 37 CO 0.12 0.00 -0.80 0.11 -1.23 0.00 0.00 177.57 175.78 2k5c h LYS 38 N 0.00 0.00 -4.20 5.19 1.57 -1.75 -3.46 116.57 113.92 2k5c h LYS 38 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2k5c h LYS 38 Cb 0.07 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.00 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 -5.26 3.58 0.43 0.86 1.01 -0.89 -5.02 116.67 111.36 2k5c s ASP 39 Ca 0.02 -1.06 0.10 0.00 0.71 0.00 0.00 52.55 52.32 2k5c s ASP 39 Cb 0.10 -1.05 0.93 0.00 1.01 0.00 0.00 42.92 43.90 2k5c s ASP 39 CO 0.76 -0.24 2.03 0.03 0.21 0.00 0.00 175.17 177.96 2k5c h ARG 40 N 8.02 0.30 -0.08 8.23 -0.00 -1.88 -2.36 114.38 126.61 2k5c h ARG 40 Ca -0.19 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.16 2k5c h ARG 40 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 2k5c h ARG 40 CO 0.40 0.28 -0.42 1.49 0.00 0.00 0.00 179.97 181.72 2k5c h GLU 41 N 0.30 0.18 0.06 0.04 4.81 -1.95 -2.34 114.58 115.69 2k5c h GLU 41 Ca 0.08 -0.09 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 2k5c h GLU 41 Cb 0.11 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2k5c h GLU 41 CO -0.00 0.58 -1.27 0.00 -0.73 0.00 0.00 179.01 177.58 2k5c h ARG 42 N 0.16 0.13 -0.07 1.92 3.08 -1.83 -3.21 114.38 114.55 2k5c h ARG 42 Ca 0.01 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 2k5c h ARG 42 Cb 0.81 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k5c h ARG 42 CO 0.06 1.02 -0.30 0.35 -1.07 0.00 0.00 179.97 180.04 2k5c h PHE 43 N 0.04 0.44 -0.09 3.04 3.04 -1.40 -2.96 116.94 119.04 2k5c h PHE 43 Ca -0.13 -0.19 -0.14 0.00 3.98 0.00 0.00 57.97 61.49 2k5c h PHE 43 Cb 1.91 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 40.34 2k5c h PHE 43 CO 0.03 0.91 -0.58 -0.07 -2.02 0.00 0.00 178.31 176.58 2k5c h LEU 44 N -0.16 0.31 -0.89 0.59 3.38 -1.61 -2.76 115.31 114.17 2k5c h LEU 44 Ca -0.02 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2k5c h LEU 44 Cb 0.94 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k5c h LEU 44 CO 0.06 0.82 -0.41 0.00 0.09 0.00 0.00 178.44 179.00 2k5c h ALA 45 N 1.18 1.05 0.10 1.53 0.00 -1.67 -2.64 119.26 118.81 2k5c h ALA 45 Ca -0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 2k5c h ALA 45 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2k5c h ALA 45 CO 0.09 0.60 -1.16 1.96 0.00 0.00 0.00 179.25 180.75 2k5c h GLN 46 N 0.25 0.32 -0.41 0.00 4.20 -1.49 -2.83 115.11 115.14 2k5c h GLN 46 Ca 0.02 -0.47 -0.14 0.00 0.06 0.00 0.00 58.65 58.12 2k5c h GLN 46 Cb 0.84 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2k5c h GLN 46 CO 0.07 1.19 -0.29 0.28 -0.67 0.00 0.00 178.83 179.41 2k5c h VAL 47 N 0.12 1.27 0.00 -0.54 2.07 -1.52 -1.02 116.25 116.63 2k5c h VAL 47 Ca -0.12 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 2k5c h VAL 47 Cb 1.86 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2k5c h VAL 47 CO 0.19 0.49 -0.40 -0.33 0.02 0.00 0.00 177.57 177.54 2k5c h GLU 48 N 0.74 0.00 0.00 1.57 5.08 -1.59 -2.47 114.58 117.91 2k5c h GLU 48 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2k5c h GLU 48 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2k5c h GLU 48 CO 0.08 0.40 -1.73 0.39 -1.00 0.00 0.00 179.01 177.15 2k5c n GLU 49 N -3.41 0.64 -4.19 2.33 1.02 -1.07 -3.51 120.64 112.46 2k5c n GLU 49 Ca 0.01 0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 2k5c n GLU 49 Cb 0.57 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.97 3.24 0.32 -0.32 0.08 -0.39 -5.01 117.98 112.94 2k5c s PHE 50 Ca -0.05 0.21 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 2k5c s PHE 50 Cb 0.09 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 2k5c s PHE 50 CO 0.83 0.53 0.63 0.14 -0.10 0.00 0.00 175.22 177.26 2k5c s VAL 51 N -1.07 4.92 0.03 -0.44 -7.23 -1.26 -3.78 120.40 111.57 2k5c s VAL 51 Ca 0.19 0.34 0.07 0.00 -1.81 0.00 0.00 61.98 60.77 2k5c s VAL 51 Cb -0.12 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 2k5c s VAL 51 CO 0.09 -0.35 -0.20 -0.36 -0.31 0.00 0.00 175.10 173.97 2k5c s PHE 52 N -2.14 1.75 -0.03 2.82 0.08 0.37 -4.89 117.98 115.94 2k5c s PHE 52 Ca 0.47 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 57.03 2k5c s PHE 52 Cb -0.11 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 2k5c s PHE 52 CO 0.29 0.07 0.33 0.15 -0.10 0.00 0.00 175.22 175.96 2k5c s LYS 53 N -1.07 3.79 -0.12 0.44 1.02 -1.26 -1.68 119.74 120.86 2k5c s LYS 53 Ca 0.07 0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.14 2k5c s LYS 53 Cb -0.09 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2k5c s LYS 53 CO 0.01 0.71 0.45 0.00 -0.92 0.00 0.00 175.35 175.61 2k5c n PRO 55 N 3.62 0.13 -0.11 0.00 -0.02 -1.26 -1.87 135.00 135.49 2k5c n PRO 55 Ca -0.08 0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.36 2k5c n PRO 55 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 2k5c n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k5c n VAL 56 N -1.40 1.51 -0.12 -1.45 0.31 -1.26 -4.85 118.33 111.06 2k5c n VAL 56 Ca 0.07 -0.06 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 2k5c n VAL 56 Cb 0.20 -2.15 -0.08 0.00 -0.91 0.00 0.00 33.84 30.90 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 1.34 1.57 3.76 0.00 0.00 -0.78 -5.02 105.19 106.05 2k5c n GLY 58 Ca -0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.45 2.91 0.06 1.61 2.02 -1.26 -4.74 118.70 118.84 2k5c s GLU 59 Ca 0.00 -0.63 -0.26 0.00 0.02 0.00 0.00 54.97 54.10 2k5c s GLU 59 Cb 0.00 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2k5c s GLU 59 CO 0.00 0.60 0.81 -1.21 0.02 0.00 0.00 175.26 175.48 2k5c s GLU 60 N -2.08 4.54 0.05 1.61 2.02 -1.26 -3.24 118.70 120.34 2k5c s GLU 60 Ca 0.26 1.15 0.04 0.00 0.02 0.00 0.00 54.97 56.44 2k5c s GLU 60 Cb -0.12 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 2k5c s GLU 60 CO 0.18 0.26 -0.11 -0.59 0.02 0.00 0.00 175.26 175.01 2k5c s PHE 61 N -0.00 0.97 0.17 1.61 -0.71 -0.67 -4.91 117.98 114.43 2k5c s PHE 61 Ca 0.41 -0.42 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 2k5c s PHE 61 Cb -0.21 -0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 40.97 2k5c s PHE 61 CO 0.24 -0.00 0.43 0.71 -1.34 0.00 0.00 175.22 175.26 2k5c s TYR 62 N -1.13 3.46 -1.07 3.49 2.02 -1.26 -0.48 117.35 122.37 2k5c s TYR 62 Ca -0.04 0.66 0.26 0.00 -0.37 0.00 0.00 57.07 57.58 2k5c s TYR 62 Cb -0.09 -2.09 1.13 0.00 -0.40 0.00 0.00 41.96 40.51 2k5c s TYR 62 CO 0.01 0.39 1.83 0.41 -1.57 0.00 0.00 175.55 176.62 2k5c n GLY 63 N 0.05 -1.34 0.14 0.71 0.00 -0.93 -3.33 105.19 100.49 2k5c n GLY 63 Ca -0.02 -0.09 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 -0.01 1.61 3.64 -1.78 -3.30 116.57 116.74 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 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k5c h LYS 64 CO 0.00 0.00 -0.30 0.25 -2.27 0.00 0.00 179.45 177.13 2k5c n THR 65 N -2.59 0.00 -3.04 1.00 -2.24 -1.21 -4.95 114.28 101.24 2k5c n THR 65 Ca 0.04 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 2k5c n THR 65 Cb 0.48 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.54 4.29 0.84 3.22 1.02 -1.24 -5.09 118.68 119.18 2k5c s LEU 66 Ca 0.23 1.48 -0.10 0.00 0.02 0.00 0.00 54.13 55.75 2k5c s LEU 66 Cb 0.19 -3.76 0.10 0.00 0.02 0.00 0.00 46.19 42.74 2k5c s LEU 66 CO 0.54 -0.03 1.12 -2.16 0.02 0.00 0.00 176.35 175.84 2k5c s PRO 67 N -2.18 1.65 0.47 1.29 0.04 -1.26 -4.91 135.00 130.10 2k5c s PRO 67 Ca 0.46 1.34 0.15 0.00 0.04 0.00 0.00 61.00 62.99 2k5c s PRO 67 Cb -0.16 -1.82 1.08 0.00 0.04 0.00 0.00 34.50 33.65 2k5c s PRO 67 CO 0.21 -2.12 2.04 0.00 0.04 0.00 0.00 177.00 177.16 2k5c h ARG 68 N -1.49 0.02 -0.80 4.56 3.08 -1.98 -2.87 114.38 114.89 2k5c h ARG 68 Ca -0.43 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.64 2k5c h ARG 68 Cb 1.25 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 2k5c h ARG 68 CO 0.47 0.13 0.53 0.00 -1.07 0.00 0.00 179.97 180.03 2k5c h ARG 69 N 0.02 0.99 0.00 0.04 3.08 -2.00 -0.08 114.38 116.43 2k5c h ARG 69 Ca 0.00 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 2k5c h ARG 69 Cb 0.21 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2k5c h ARG 69 CO 0.02 0.65 -0.92 0.93 -1.07 0.00 0.00 179.97 179.58 2k5c h GLU 70 N 1.02 0.00 -0.16 0.04 3.07 -1.88 -3.27 114.58 113.40 2k5c h GLU 70 Ca 0.31 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 2k5c h GLU 70 Cb -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k5c h GLU 70 CO -0.09 0.92 -0.44 0.00 -1.40 0.00 0.00 179.01 178.01 2k5c h ALA 71 N 1.08 0.95 0.00 3.43 0.00 -1.25 -3.16 119.26 120.31 2k5c h ALA 71 Ca -0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2k5c h ALA 71 Cb 1.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2k5c h ALA 71 CO 0.12 0.63 -0.46 0.93 0.00 0.00 0.00 179.25 180.47 2k5c h GLU 72 N 0.32 0.00 0.00 0.00 5.08 -1.12 -3.12 114.58 115.73 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 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2k5c h GLU 72 CO 0.08 0.46 -0.34 0.87 -1.00 0.00 0.00 179.01 179.08 2k5c h LYS 73 N 0.00 0.00 -0.48 2.33 1.57 -1.59 -3.17 116.57 115.23 2k5c h LYS 73 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2k5c h LYS 73 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2k5c h LYS 73 CO 0.06 0.34 -0.03 0.28 -0.57 0.00 0.00 179.45 179.53 2k5c h VAL 74 N 0.00 1.25 0.00 0.50 2.07 -1.58 -3.01 116.25 115.48 2k5c h VAL 74 Ca -0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2k5c h VAL 74 Cb 0.69 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2k5c h VAL 74 CO 0.04 0.37 -0.11 -0.26 0.02 0.00 0.00 177.57 177.63 2k5c h PHE 75 N 0.76 0.00 -0.37 1.57 -1.00 -1.67 -3.17 116.94 113.06 2k5c h PHE 75 Ca 0.14 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.79 2k5c h PHE 75 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2k5c h PHE 75 CO 0.03 0.11 -0.29 1.49 -1.61 0.00 0.00 178.31 178.04 2k5c h GLU 76 N 0.00 0.85 -0.07 1.51 4.81 -1.65 -2.42 114.58 117.61 2k5c h GLU 76 Ca -0.00 -0.42 -0.13 0.00 -0.13 0.00 0.00 59.36 58.68 2k5c h GLU 76 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k5c h GLU 76 CO 0.01 1.06 -0.53 1.37 -0.73 0.00 0.00 179.01 180.20 2k5c h LEU 77 N 0.65 0.21 0.00 1.64 8.10 -1.64 -0.96 115.31 123.30 2k5c h LEU 77 Ca 0.07 -0.11 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2k5c h LEU 77 Cb 0.87 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2k5c h LEU 77 CO 0.08 0.70 -0.15 -0.07 -4.11 0.00 0.00 178.44 174.88 2k5c h LEU 78 N 0.15 0.00 0.00 0.17 3.38 -1.58 -3.31 115.31 114.12 2k5c h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5c h LEU 78 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2k5c h LEU 78 CO 0.08 0.03 -1.59 0.59 0.09 0.00 0.00 178.44 177.64 2k5c n ASN 79 N -3.06 0.40 -3.70 -0.43 3.02 -0.91 -4.64 115.26 105.95 2k5c n ASN 79 Ca 0.03 -0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 53.83 2k5c n ASN 79 Cb 0.55 1.58 -0.03 0.00 -0.61 0.00 0.00 39.78 41.27 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 -1.96 5.36 0.16 6.41 8.00 -0.37 -4.83 116.55 129.32 2k5c n ASP 80 Ca -0.01 -3.46 0.02 0.00 0.71 0.00 0.00 54.79 52.05 2k5c n ASP 80 Cb 0.47 -1.00 0.26 0.00 -0.02 0.00 0.00 41.12 40.84 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 4.75 0.00 -3.14 1.24 0.04 -1.82 -3.45 116.94 114.56 2k5c h PHE 81 Ca 0.22 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.34 2k5c h PHE 81 Cb 0.61 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.62 2k5c h PHE 81 CO 0.91 0.50 -0.56 0.15 -0.60 0.00 0.00 178.31 178.71 2k5c s LYS 82 N -3.67 3.61 0.00 1.51 1.02 -1.26 -4.75 119.74 116.19 2k5c s LYS 82 Ca -0.01 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2k5c s LYS 82 Cb 0.12 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2k5c s LYS 82 CO 0.73 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 176.07 2k5c n GLY 83 N 2.81 -1.04 2.68 -3.33 0.00 -1.26 -4.98 105.19 100.07 2k5c n GLY 83 Ca -0.18 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 2.05 3.14 -0.02 0.00 -1.26 -5.08 105.19 104.02 2k5c n GLY 84 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.52 2.03 -0.07 -0.61 1.09 -1.26 -3.56 121.20 115.30 2k5c s ILE 85 Ca 0.29 -0.94 0.04 0.00 -1.10 0.00 0.00 60.65 58.94 2k5c s ILE 85 Cb 0.42 -1.81 0.00 0.00 -1.06 0.00 0.00 42.46 40.01 2k5c s ILE 85 CO 0.00 0.54 -0.18 -1.81 -0.10 0.00 0.00 174.94 173.39 2k5c s ASP 86 N 1.06 2.36 0.18 3.58 1.01 -0.96 -5.01 116.67 118.89 2k5c s ASP 86 Ca -0.01 -0.41 0.11 0.00 0.71 0.00 0.00 52.55 52.95 2k5c s ASP 86 Cb -0.14 -0.96 -0.08 0.00 1.01 0.00 0.00 42.92 42.74 2k5c s ASP 86 CO -0.07 0.11 1.31 -0.50 0.21 0.00 0.00 175.17 176.23 2k5c h TRP 87 N 6.66 0.00 0.13 4.23 4.06 -1.98 -1.36 115.95 127.69 2k5c h TRP 87 Ca -0.27 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.38 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 0.47 0.75 -1.42 0.93 -3.56 0.00 0.00 178.44 175.61 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 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2k5c h GLU 88 Cb 1.59 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2k5c h GLU 88 CO 0.09 1.17 -1.29 0.09 -1.00 0.00 0.00 179.01 178.07 2k5c n ASN 89 N -3.50 0.52 -3.46 1.42 4.13 -1.26 -5.04 115.26 108.07 2k5c n ASN 89 Ca -0.13 -0.04 -0.18 0.00 1.68 0.00 0.00 54.58 55.91 2k5c n ASN 89 Cb 1.04 1.05 0.08 0.00 -1.54 0.00 0.00 39.78 40.41 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 -2.22 -6.02 -4.90 3.52 5.02 -0.54 -5.04 118.16 107.99 2k5c n LYS 90 Ca -0.00 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.77 2k5c n LYS 90 Cb 0.50 -5.75 -0.15 0.00 -0.02 0.00 0.00 35.03 29.61 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 -5.39 3.23 -0.13 1.97 0.52 -1.08 -4.96 118.95 113.10 2k5c s ARG 91 Ca 0.04 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2k5c s ARG 91 Cb -0.01 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.95 2k5c s ARG 91 CO 0.74 0.24 -0.18 0.08 0.02 0.00 0.00 175.30 176.20 2k5c s VAL 92 N 0.26 1.78 -0.07 3.52 1.01 -1.26 -2.27 120.40 123.37 2k5c s VAL 92 Ca -0.11 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2k5c s VAL 92 Cb -0.16 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2k5c s VAL 92 CO 0.06 0.50 -0.18 -0.54 0.00 0.00 0.00 175.10 174.93 2k5c s LYS 93 N 1.03 2.16 -0.11 2.72 1.02 -1.23 -4.84 119.74 120.48 2k5c s LYS 93 Ca -0.04 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.31 2k5c s LYS 93 Cb -0.15 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2k5c s LYS 93 CO -0.04 0.18 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.91 2k5c s LEU 94 N 0.28 2.68 0.00 3.17 1.43 -1.26 -4.76 118.68 120.22 2k5c s LEU 94 Ca -0.11 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2k5c s LEU 94 Cb -0.15 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2k5c s LEU 94 CO 0.05 0.21 0.00 1.17 0.23 0.00 0.00 176.35 178.00