#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 3.40 -0.07 3.04 0.00 -1.20 -4.94 121.76 121.99 2k5c s ALA 9 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2k5c s ALA 9 Cb 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2k5c s ALA 9 CO 0.00 0.57 -0.07 0.15 0.00 0.00 0.00 175.76 176.42 2k5c s LYS 10 N -0.84 2.82 0.09 0.00 1.02 -1.26 -0.54 119.74 121.03 2k5c s LYS 10 Ca 0.13 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.26 2k5c s LYS 10 Cb -0.12 -2.61 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 2k5c s LYS 10 CO 0.03 0.63 1.39 0.00 -0.92 0.00 0.00 175.35 176.47 2k5c n PRO 12 N 4.22 0.13 -0.09 0.00 -0.02 -1.26 -1.29 135.00 136.68 2k5c n PRO 12 Ca 0.12 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 2k5c n PRO 12 Cb 0.43 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.98 1.49 -0.10 4.25 -0.00 -1.26 -4.81 119.36 116.95 2k5c n ILE 13 Ca 0.03 0.05 -0.14 0.00 -0.00 0.00 0.00 62.75 62.69 2k5c n ILE 13 Cb 0.23 -2.18 -0.09 0.00 -0.00 0.00 0.00 39.64 37.60 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 2.55 1.04 3.84 0.00 0.00 -0.41 -5.01 105.19 107.21 2k5c n GLY 15 Ca -0.34 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 2k5c n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k5c s SER 16 N -2.40 6.80 0.26 1.61 1.04 -1.26 -4.71 113.70 115.04 2k5c s SER 16 Ca 0.00 0.99 -0.29 0.00 0.48 0.00 0.00 55.95 57.12 2k5c s SER 16 Cb 0.00 -2.25 -0.10 0.00 0.10 0.00 0.00 66.02 63.77 2k5c s SER 16 CO 0.00 0.21 1.30 -2.84 0.98 0.00 0.00 173.24 172.88 2k5c s PRO 17 N -1.59 4.39 0.03 4.02 0.02 -1.26 -2.82 135.00 137.79 2k5c s PRO 17 Ca 0.31 2.11 0.08 0.00 0.02 0.00 0.00 61.00 63.53 2k5c s PRO 17 Cb -0.16 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2k5c s PRO 17 CO 0.17 -0.19 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.90 2k5c s LEU 18 N -0.94 2.28 -0.14 -5.54 1.43 0.30 -5.01 118.68 111.06 2k5c s LEU 18 Ca 0.52 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 2k5c s LEU 18 Cb -0.38 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2k5c s LEU 18 CO 0.45 0.28 0.32 -0.54 0.23 0.00 0.00 176.35 177.08 2k5c s LYS 19 N -1.14 4.19 0.43 1.70 1.02 -1.26 -3.22 119.74 121.46 2k5c s LYS 19 Ca 0.12 0.15 0.21 0.00 0.02 0.00 0.00 55.97 56.47 2k5c s LYS 19 Cb -0.10 -3.39 0.97 0.00 -0.52 0.00 0.00 37.83 34.78 2k5c s LYS 19 CO 0.02 0.30 1.88 -1.49 -0.92 0.00 0.00 175.35 175.14 2k5c h TRP 20 N 6.39 0.00 -0.12 3.18 4.06 -2.00 -2.97 115.95 124.50 2k5c h TRP 20 Ca -0.43 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.40 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 0.62 0.27 -0.47 0.93 -3.56 0.00 0.00 178.44 176.23 2k5c h GLU 21 N 0.00 0.29 0.02 0.49 5.08 -1.95 -3.03 114.58 115.48 2k5c h GLU 21 Ca -0.00 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 57.99 2k5c h GLU 21 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2k5c h GLU 21 CO 0.04 0.71 -0.94 0.93 -1.00 0.00 0.00 179.01 178.74 2k5c h GLU 22 N 0.24 0.24 -0.55 2.33 5.08 -1.89 -2.91 114.58 117.12 2k5c h GLU 22 Ca 0.01 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2k5c h GLU 22 Cb 0.92 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2k5c h GLU 22 CO 0.08 1.02 0.03 1.25 -1.00 0.00 0.00 179.01 180.38 2k5c h LEU 23 N 0.12 0.92 0.05 1.33 5.85 -1.52 -1.69 115.31 120.37 2k5c h LEU 23 Ca -0.06 -0.29 -0.28 0.00 0.84 0.00 0.00 57.88 58.09 2k5c h LEU 23 Cb 1.59 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 42.39 2k5c h LEU 23 CO 0.15 0.98 -1.15 0.40 -0.34 0.00 0.00 178.44 178.49 2k5c h ILE 24 N 0.83 1.30 -0.35 4.05 1.08 -1.66 -2.89 117.51 119.86 2k5c h ILE 24 Ca 0.16 -2.39 -0.11 0.00 -0.39 0.00 0.00 64.86 62.13 2k5c h ILE 24 Cb 0.49 2.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2k5c h ILE 24 CO 0.02 0.73 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.90 2k5c h GLU 25 N 0.32 0.68 0.00 2.37 4.81 -1.54 -2.02 114.58 119.20 2k5c h GLU 25 Ca -0.16 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2k5c h GLU 25 Cb 1.81 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.14 2k5c h GLU 25 CO 0.22 0.85 -0.34 0.93 -0.73 0.00 0.00 179.01 179.94 2k5c h GLU 26 N 0.60 0.00 -0.54 1.92 5.08 -1.43 -3.31 114.58 116.89 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 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k5c h GLU 26 CO 0.05 0.24 0.00 -1.33 -1.00 0.00 0.00 179.01 176.97 2k5c n MET 27 N -3.13 3.16 -0.35 2.33 2.81 -1.09 -4.49 117.12 116.36 2k5c n MET 27 Ca 0.02 -2.59 0.08 0.00 -1.81 0.00 0.00 57.70 53.40 2k5c n MET 27 Cb 0.64 -1.63 0.24 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.91 3.14 -0.29 4.03 7.94 -0.77 -4.23 117.00 127.72 2k5c n LEU 28 Ca 0.21 -1.57 0.13 0.00 -1.11 0.00 0.00 56.01 53.66 2k5c n LEU 28 Cb 0.69 -0.41 0.60 0.00 0.53 0.00 0.00 43.42 44.83 2k5c n LEU 28 CO 0.17 0.66 0.91 2.30 -1.11 0.00 0.00 177.39 180.31 2k5c n ILE 29 N 0.90 0.05 -4.51 1.96 -5.35 -1.26 -4.87 119.36 106.27 2k5c n ILE 29 Ca 0.18 -0.17 -0.34 0.00 -0.27 0.00 0.00 62.75 62.15 2k5c n ILE 29 Cb 0.55 0.08 -0.10 0.00 -1.74 0.00 0.00 39.64 38.42 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 -1.95 3.98 -0.44 7.28 1.01 -1.26 -5.04 121.20 124.78 2k5c s ILE 30 Ca 0.38 -0.38 0.23 0.00 0.00 0.00 0.00 60.65 60.87 2k5c s ILE 30 Cb 0.19 -2.65 0.31 0.00 0.01 0.00 0.00 42.46 40.32 2k5c s ILE 30 CO 0.31 0.60 1.57 -0.33 0.00 0.00 0.00 174.94 177.08 2k5c h GLU 31 N 5.18 0.00 0.00 2.79 5.08 -1.96 -3.27 114.58 122.40 2k5c h GLU 31 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 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 0.00 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.51 2k5c h ASN 32 N 0.00 0.00 -0.62 1.42 2.35 -2.00 -3.34 115.58 113.39 2k5c h ASN 32 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2k5c h ASN 32 Cb 0.98 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.32 2k5c h ASN 32 CO 0.00 0.12 0.41 0.15 -1.65 0.00 0.00 177.43 176.47 2k5c h PHE 33 N 0.00 0.61 -0.07 1.19 3.57 -1.92 -1.54 116.94 118.77 2k5c h PHE 33 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k5c h PHE 33 Cb 1.05 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2k5c h PHE 33 CO 0.00 0.32 0.04 0.93 -2.23 0.00 0.00 178.31 177.37 2k5c h GLU 34 N 0.60 0.09 0.07 1.11 5.08 -1.79 -0.51 114.58 119.22 2k5c h GLU 34 Ca 0.27 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 2k5c h GLU 34 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2k5c h GLU 34 CO -0.08 0.07 -1.63 0.93 -1.00 0.00 0.00 179.01 177.29 2k5c h GLU 35 N 0.10 0.14 -0.20 2.33 5.08 -1.55 -3.39 114.58 117.08 2k5c h GLU 35 Ca 0.03 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 2k5c h GLU 35 Cb -0.00 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k5c h GLU 35 CO -0.00 0.90 -0.57 0.82 -1.00 0.00 0.00 179.01 179.15 2k5c h ILE 36 N 0.04 1.31 0.00 3.13 2.04 -1.07 -3.26 117.51 119.70 2k5c h ILE 36 Ca -0.27 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2k5c h ILE 36 Cb 2.00 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2k5c h ILE 36 CO 0.12 0.57 0.00 -0.37 0.00 0.00 0.00 178.15 178.46 2k5c h VAL 37 N 0.48 0.00 0.00 1.67 -1.51 -1.28 -1.96 116.25 113.64 2k5c h VAL 37 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2k5c h VAL 37 Cb 1.14 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2k5c h VAL 37 CO 0.11 0.00 -1.24 0.29 -1.23 0.00 0.00 177.57 175.50 2k5c n LYS 38 N -2.90 0.55 -4.01 5.19 5.02 -1.23 -4.76 118.16 116.03 2k5c n LYS 38 Ca -0.02 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2k5c n LYS 38 Cb 0.11 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 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 -4.87 4.48 0.34 4.39 1.01 -0.74 -5.01 116.67 116.28 2k5c s ASP 39 Ca -0.01 -1.73 0.04 0.00 0.71 0.00 0.00 52.55 51.56 2k5c s ASP 39 Cb 0.12 -1.49 0.66 0.00 1.01 0.00 0.00 42.92 43.22 2k5c s ASP 39 CO 0.82 -0.30 1.96 0.08 0.21 0.00 0.00 175.17 177.94 2k5c h ARG 40 N 7.75 0.83 -0.17 8.23 0.11 -1.89 -1.52 114.38 127.72 2k5c h ARG 40 Ca -0.12 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.84 2k5c h ARG 40 Cb 1.03 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 2k5c h ARG 40 CO 0.48 0.55 -0.23 1.49 0.10 0.00 0.00 179.97 182.36 2k5c h GLU 41 N 0.86 0.30 0.04 0.08 4.81 -1.95 -1.24 114.58 117.47 2k5c h GLU 41 Ca 0.31 -0.10 -0.26 0.00 -0.13 0.00 0.00 59.36 59.18 2k5c h GLU 41 Cb 0.14 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2k5c h GLU 41 CO -0.10 0.52 -1.33 0.00 -0.73 0.00 0.00 179.01 177.37 2k5c h ARG 42 N 0.27 0.07 -0.03 1.92 3.08 -1.83 -3.25 114.38 114.62 2k5c h ARG 42 Ca 0.05 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2k5c h ARG 42 Cb 0.56 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2k5c h ARG 42 CO 0.04 0.91 -0.28 0.35 -1.07 0.00 0.00 179.97 179.92 2k5c h PHE 43 N 0.02 0.33 -0.10 3.04 3.04 -1.13 -2.81 116.94 119.33 2k5c h PHE 43 Ca -0.15 -0.16 -0.14 0.00 3.98 0.00 0.00 57.97 61.50 2k5c h PHE 43 Cb 1.90 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 2k5c h PHE 43 CO 0.02 0.92 -0.57 -0.07 -2.02 0.00 0.00 178.31 176.59 2k5c h LEU 44 N -0.35 0.35 -0.61 0.59 3.38 -1.43 -2.67 115.31 114.57 2k5c h LEU 44 Ca -0.03 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2k5c h LEU 44 Cb 0.98 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2k5c h LEU 44 CO 0.06 0.85 -0.61 0.00 0.09 0.00 0.00 178.44 178.83 2k5c h ALA 45 N 1.16 0.84 0.15 1.53 0.00 -1.70 -3.12 119.26 118.13 2k5c h ALA 45 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 2k5c h ALA 45 Cb 1.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k5c h ALA 45 CO 0.09 0.76 -1.29 1.96 0.00 0.00 0.00 179.25 180.77 2k5c h GLN 46 N 0.00 0.32 -0.45 0.00 4.20 -1.46 -3.11 115.11 114.61 2k5c h GLN 46 Ca -0.01 -0.55 -0.12 0.00 0.06 0.00 0.00 58.65 58.04 2k5c h GLN 46 Cb 1.19 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2k5c h GLN 46 CO 0.08 1.26 -0.17 0.28 -0.67 0.00 0.00 178.83 179.61 2k5c h VAL 47 N 0.09 1.27 0.00 -0.54 2.07 -1.56 0.60 116.25 118.18 2k5c h VAL 47 Ca -0.16 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2k5c h VAL 47 Cb 2.01 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2k5c h VAL 47 CO 0.22 0.45 -0.16 -0.33 0.02 0.00 0.00 177.57 177.77 2k5c h GLU 48 N 0.76 0.00 0.00 1.57 5.08 -1.68 -2.74 114.58 117.57 2k5c h GLU 48 Ca 0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 2k5c h GLU 48 Cb 0.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2k5c h GLU 48 CO 0.06 0.16 -2.07 0.39 -1.00 0.00 0.00 179.01 176.54 2k5c n GLU 49 N -3.28 0.67 -3.84 2.33 1.02 -1.17 -3.71 120.64 112.65 2k5c n GLU 49 Ca 0.01 -0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2k5c n GLU 49 Cb 0.41 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.86 3.57 0.19 -0.32 0.08 0.19 -4.98 117.98 113.85 2k5c s PHE 50 Ca -0.08 0.48 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 2k5c s PHE 50 Cb 0.09 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 2k5c s PHE 50 CO 0.85 0.66 0.43 0.14 -0.10 0.00 0.00 175.22 177.19 2k5c s VAL 51 N -1.24 5.12 0.09 -0.44 -7.23 -1.26 -3.42 120.40 112.02 2k5c s VAL 51 Ca 0.24 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.51 2k5c s VAL 51 Cb -0.13 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 2k5c s VAL 51 CO 0.14 -0.08 -0.23 -0.36 -0.31 0.00 0.00 175.10 174.26 2k5c s PHE 52 N -1.79 2.01 -0.08 2.82 0.08 0.49 -4.89 117.98 116.62 2k5c s PHE 52 Ca 0.42 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 2k5c s PHE 52 Cb -0.12 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2k5c s PHE 52 CO 0.26 0.21 0.20 0.15 -0.10 0.00 0.00 175.22 175.94 2k5c s LYS 53 N -1.69 3.53 -0.05 0.44 1.02 -1.26 -1.36 119.74 120.36 2k5c s LYS 53 Ca 0.09 -0.05 -0.19 0.00 0.02 0.00 0.00 55.97 55.84 2k5c s LYS 53 Cb -0.10 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2k5c s LYS 53 CO 0.04 0.74 0.55 0.00 -0.92 0.00 0.00 175.35 175.76 2k5c n PRO 55 N 3.13 0.06 -0.11 0.00 -0.04 -1.26 -1.45 135.00 135.33 2k5c n PRO 55 Ca -0.07 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 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 -1.46 1.28 -0.10 0.52 0.31 -1.26 -4.85 118.33 112.78 2k5c n VAL 56 Ca 0.06 -0.26 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 2k5c n VAL 56 Cb 0.23 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 31.21 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 1.48 0.90 3.93 0.00 0.00 -0.53 -5.00 105.19 105.96 2k5c n GLY 58 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.85 3.52 -0.01 1.61 2.02 -1.26 -4.72 118.70 119.01 2k5c s GLU 59 Ca 0.00 -0.36 -0.21 0.00 0.02 0.00 0.00 54.97 54.42 2k5c s GLU 59 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 2k5c s GLU 59 CO 0.00 0.41 0.63 -1.21 0.02 0.00 0.00 175.26 175.11 2k5c s GLU 60 N -3.29 4.36 0.05 1.61 2.02 -1.26 -2.93 118.70 119.27 2k5c s GLU 60 Ca 0.38 0.79 0.05 0.00 0.02 0.00 0.00 54.97 56.21 2k5c s GLU 60 Cb -0.11 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 2k5c s GLU 60 CO 0.29 0.30 -0.13 -0.59 0.02 0.00 0.00 175.26 175.14 2k5c s PHE 61 N 0.03 1.14 0.21 1.61 -0.12 -0.47 -4.92 117.98 115.46 2k5c s PHE 61 Ca 0.33 -0.41 -0.10 0.00 -0.05 0.00 0.00 56.93 56.70 2k5c s PHE 61 Cb -0.18 -0.66 -0.07 0.00 -0.63 0.00 0.00 43.02 41.48 2k5c s PHE 61 CO 0.18 0.03 0.53 0.71 -0.05 0.00 0.00 175.22 176.62 2k5c s TYR 62 N -1.10 3.45 -1.98 3.49 2.02 -1.26 -0.38 117.35 121.59 2k5c s TYR 62 Ca -0.01 0.87 0.31 0.00 -0.37 0.00 0.00 57.07 57.86 2k5c s TYR 62 Cb -0.09 -2.25 1.82 0.00 -0.40 0.00 0.00 41.96 41.04 2k5c s TYR 62 CO 0.02 0.30 2.15 0.41 -1.57 0.00 0.00 175.55 176.86 2k5c n GLY 63 N 0.01 -0.97 0.09 0.71 0.00 -1.04 -3.30 105.19 100.69 2k5c n GLY 63 Ca -0.01 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.11 1.61 3.64 -1.78 -3.29 116.57 116.64 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 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 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 -2.25 0.13 -2.99 1.00 -2.24 -1.21 -4.96 114.28 101.77 2k5c n THR 65 Ca 0.04 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 2k5c n THR 65 Cb 0.45 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.77 4.33 0.76 3.22 1.43 -1.24 -5.09 118.68 120.32 2k5c s LEU 66 Ca 0.35 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 54.88 2k5c s LEU 66 Cb 0.19 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.71 2k5c s LEU 66 CO 0.30 -0.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.84 2k5c s PRO 67 N -2.03 2.14 0.45 1.29 0.04 -1.26 -4.96 135.00 130.67 2k5c s PRO 67 Ca 0.46 1.46 0.13 0.00 0.04 0.00 0.00 61.00 63.09 2k5c s PRO 67 Cb -0.17 -1.86 1.02 0.00 0.04 0.00 0.00 34.50 33.53 2k5c s PRO 67 CO 0.22 -1.77 2.03 0.00 0.04 0.00 0.00 177.00 177.51 2k5c h ARG 68 N -0.73 0.09 -0.87 4.56 3.08 -2.00 -2.84 114.38 115.67 2k5c h ARG 68 Ca -0.45 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2k5c h ARG 68 Cb 1.26 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 2k5c h ARG 68 CO 0.50 0.18 0.56 0.00 -1.07 0.00 0.00 179.97 180.14 2k5c h ARG 69 N 0.09 1.15 0.00 0.04 3.08 -2.01 -2.81 114.38 113.92 2k5c h ARG 69 Ca 0.02 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2k5c h ARG 69 Cb 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2k5c h ARG 69 CO 0.01 0.77 -0.55 0.93 -1.07 0.00 0.00 179.97 180.07 2k5c h GLU 70 N 1.18 0.00 -0.11 0.04 5.08 -1.89 -3.22 114.58 115.67 2k5c h GLU 70 Ca 0.32 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2k5c h GLU 70 Cb -0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2k5c h GLU 70 CO -0.07 0.55 -0.37 0.00 -1.00 0.00 0.00 179.01 178.12 2k5c h ALA 71 N 1.45 1.17 0.00 3.43 0.00 -1.47 -3.05 119.26 120.79 2k5c h ALA 71 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2k5c h ALA 71 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k5c h ALA 71 CO 0.07 0.56 -0.33 0.93 0.00 0.00 0.00 179.25 180.48 2k5c h GLU 72 N 0.19 0.00 0.00 0.00 5.08 -1.51 -3.18 114.58 115.17 2k5c h GLU 72 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2k5c h GLU 72 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2k5c h GLU 72 CO 0.06 0.33 -0.58 0.87 -1.00 0.00 0.00 179.01 178.69 2k5c h LYS 73 N 0.00 0.00 -0.35 2.33 1.57 -1.58 -3.26 116.57 115.28 2k5c h LYS 73 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2k5c h LYS 73 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2k5c h LYS 73 CO 0.04 0.58 -0.18 0.28 -0.57 0.00 0.00 179.45 179.60 2k5c h VAL 74 N 0.00 1.26 0.00 0.50 2.07 -1.56 -3.03 116.25 115.49 2k5c h VAL 74 Ca -0.01 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 2k5c h VAL 74 Cb 1.13 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2k5c h VAL 74 CO 0.08 0.41 -0.20 -0.26 0.02 0.00 0.00 177.57 177.61 2k5c h PHE 75 N 0.59 0.00 -0.57 1.57 0.04 -1.67 -3.23 116.94 113.68 2k5c h PHE 75 Ca 0.09 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.77 2k5c h PHE 75 Cb 0.64 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 2k5c h PHE 75 CO 0.03 0.20 -0.02 1.49 -0.60 0.00 0.00 178.31 179.41 2k5c h GLU 76 N 0.00 0.99 -0.03 1.51 4.81 -1.65 0.79 114.58 121.01 2k5c h GLU 76 Ca -0.00 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 2k5c h GLU 76 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2k5c h GLU 76 CO 0.03 0.98 -0.73 1.37 -0.73 0.00 0.00 179.01 179.93 2k5c h LEU 77 N 0.91 0.21 0.00 1.64 8.10 -1.67 -2.87 115.31 121.62 2k5c h LEU 77 Ca 0.16 -0.14 -0.06 0.00 0.11 0.00 0.00 57.88 57.95 2k5c h LEU 77 Cb 0.55 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 2k5c h LEU 77 CO 0.03 0.87 -0.50 -0.07 -4.11 0.00 0.00 178.44 174.65 2k5c h LEU 78 N 0.11 0.00 0.00 0.17 3.38 -1.55 -3.26 115.31 114.17 2k5c h LEU 78 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2k5c h LEU 78 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2k5c h LEU 78 CO 0.11 0.24 -0.83 0.78 0.09 0.00 0.00 178.44 178.83 2k5c h ASN 79 N 0.00 0.00 0.58 -0.43 4.21 -0.87 -3.36 115.58 115.72 2k5c h ASN 79 Ca -0.02 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.21 2k5c h ASN 79 Cb 1.20 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 2k5c h ASN 79 CO 0.03 0.16 -1.36 0.44 -1.29 0.00 0.00 177.43 175.41 2k5c h ASP 80 N 0.00 0.35 0.00 5.81 3.32 -1.62 -3.49 116.42 120.79 2k5c h ASP 80 Ca -0.03 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k5c h ASP 80 Cb 1.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k5c h ASP 80 CO 0.02 1.34 0.00 0.49 -1.72 0.00 0.00 179.24 179.37 2k5c n PHE 81 N -3.46 0.00 -4.92 4.55 3.01 -1.23 -4.68 117.46 110.73 2k5c n PHE 81 Ca -0.11 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.07 2k5c n PHE 81 Cb 1.03 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 40.33 2k5c n PHE 81 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2k5c s LYS 82 N 0.00 1.98 0.00 -1.08 -2.85 -1.26 -5.05 119.74 111.48 2k5c s LYS 82 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 2k5c s LYS 82 Cb 0.00 -1.69 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 2k5c s LYS 82 CO 0.00 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.12 2k5c n GLY 83 N 3.15 0.98 2.57 0.59 0.00 -1.26 -5.03 105.19 106.19 2k5c n GLY 83 Ca -0.18 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 5.89 3.17 -0.02 0.00 -1.26 -5.00 105.19 107.97 2k5c n GLY 84 Ca 0.00 -2.67 -0.33 0.00 0.00 0.00 0.00 46.02 43.02 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 -5.33 2.19 -0.12 -0.61 1.09 -1.26 -3.26 121.20 113.90 2k5c s ILE 85 Ca 0.50 -0.92 0.02 0.00 -1.10 0.00 0.00 60.65 59.15 2k5c s ILE 85 Cb 0.42 -1.90 -0.00 0.00 -1.06 0.00 0.00 42.46 39.91 2k5c s ILE 85 CO -0.24 0.54 -0.20 -1.81 -0.10 0.00 0.00 174.94 173.13 2k5c s ASP 86 N 1.00 3.38 0.19 3.58 1.01 -0.83 -5.01 116.67 119.99 2k5c s ASP 86 Ca -0.02 -0.51 0.11 0.00 0.71 0.00 0.00 52.55 52.85 2k5c s ASP 86 Cb -0.15 -1.48 -0.07 0.00 1.01 0.00 0.00 42.92 42.23 2k5c s ASP 86 CO -0.05 0.13 1.32 -0.50 0.21 0.00 0.00 175.17 176.28 2k5c h TRP 87 N 6.94 0.00 0.14 4.23 4.06 -1.98 -1.50 115.95 127.84 2k5c h TRP 87 Ca -0.25 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.40 2k5c h TRP 87 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2k5c h TRP 87 CO 0.48 0.74 -1.43 0.93 -3.56 0.00 0.00 178.44 175.60 2k5c h GLU 88 N 0.00 0.30 0.00 0.49 5.08 -1.99 -3.36 114.58 115.10 2k5c h GLU 88 Ca -0.02 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2k5c h GLU 88 Cb 1.58 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.02 2k5c h GLU 88 CO 0.09 1.20 -1.26 0.09 -1.00 0.00 0.00 179.01 178.14 2k5c n ASN 89 N -3.52 0.54 -3.42 1.42 3.02 -1.26 -5.04 115.26 107.00 2k5c n ASN 89 Ca -0.14 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.20 2k5c n ASN 89 Cb 1.05 0.99 0.06 0.00 -0.61 0.00 0.00 39.78 41.27 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 -2.24 -2.60 -4.77 3.52 5.02 -0.59 -5.05 118.16 111.45 2k5c n LYS 90 Ca -0.00 0.74 -0.28 0.00 -2.02 0.00 0.00 58.31 56.75 2k5c n LYS 90 Cb 0.50 -5.34 -0.17 0.00 -0.02 0.00 0.00 35.03 30.00 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 -5.02 2.24 -0.11 1.97 0.52 -1.05 -4.95 118.95 112.54 2k5c s ARG 91 Ca 0.38 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2k5c s ARG 91 Cb -0.08 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2k5c s ARG 91 CO 0.78 0.06 -0.23 0.08 0.02 0.00 0.00 175.30 176.01 2k5c s VAL 92 N 0.62 2.01 -0.08 3.52 1.01 -1.26 -1.96 120.40 124.27 2k5c s VAL 92 Ca -0.14 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2k5c s VAL 92 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2k5c s VAL 92 CO 0.04 0.55 -0.21 -0.54 0.00 0.00 0.00 175.10 174.94 2k5c s LYS 93 N 0.54 2.59 -0.08 2.72 1.02 -1.20 -4.80 119.74 120.52 2k5c s LYS 93 Ca -0.14 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.12 2k5c s LYS 93 Cb -0.17 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2k5c s LYS 93 CO 0.05 0.19 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.94 2k5c s LEU 94 N 0.29 1.99 0.00 3.17 1.43 -1.26 -4.70 118.68 119.60 2k5c s LEU 94 Ca -0.14 -0.49 0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2k5c s LEU 94 Cb -0.16 -1.26 0.09 0.00 0.03 0.00 0.00 46.19 44.89 2k5c s LEU 94 CO 0.06 0.15 0.87 0.29 0.23 0.00 0.00 176.35 177.96