#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ceh h LEU 2 N 0.00 -0.05 -0.90 0.00 5.85 -1.29 -0.77 115.31 118.15 1ceh h LEU 2 Ca 0.00 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1ceh h LEU 2 Cb 0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ceh h LEU 2 CO 0.00 0.28 -0.53 -0.50 -0.34 0.00 0.00 178.44 177.35 1ceh h TRP 3 N -0.39 0.05 -0.27 1.25 4.06 -1.99 0.59 115.95 119.25 1ceh h TRP 3 Ca -0.01 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 1ceh h TRP 3 Cb 0.35 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1ceh h TRP 3 CO 0.04 0.57 -0.13 1.96 -3.56 0.00 0.00 178.44 177.31 1ceh h GLN 4 N 0.03 0.56 -0.72 0.49 7.50 -1.94 -1.13 115.11 119.90 1ceh h GLN 4 Ca -0.00 -0.25 0.03 0.00 0.50 0.00 0.00 58.65 58.93 1ceh h GLN 4 Cb 0.96 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.43 1ceh h GLN 4 CO 0.07 0.81 0.46 0.35 -1.50 0.00 0.00 178.83 179.02 1ceh h PHE 5 N 0.29 0.86 -0.59 2.96 3.57 -0.90 0.20 116.94 123.33 1ceh h PHE 5 Ca 0.06 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.70 1ceh h PHE 5 Cb 0.64 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 1ceh h PHE 5 CO 0.06 0.50 0.08 -0.97 -2.23 0.00 0.00 178.31 175.75 1ceh h ASN 6 N 0.90 -0.10 -0.41 0.41 -1.24 -0.79 -0.32 115.58 114.04 1ceh h ASN 6 Ca 0.28 0.13 -0.12 0.00 0.71 0.00 0.00 56.30 57.30 1ceh h ASN 6 Cb -0.01 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1ceh h ASN 6 CO -0.10 -0.04 -0.20 1.23 -1.29 0.00 0.00 177.43 177.04 1ceh h GLY 7 N 0.20 0.98 0.99 1.57 0.00 -0.13 -1.60 103.07 105.09 1ceh h GLY 7 Ca 0.31 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1ceh h GLY 7 CO -0.44 0.77 0.32 -0.33 0.00 0.00 0.00 176.54 176.85 1ceh h MET 8 N 0.79 0.72 -0.46 4.80 2.86 -0.17 0.44 114.93 123.91 1ceh h MET 8 Ca 0.11 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1ceh h MET 8 Cb 0.74 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1ceh h MET 8 CO 0.06 0.53 0.16 0.82 1.06 0.00 0.00 176.91 179.53 1ceh h ILE 9 N 0.72 1.22 0.00 -1.22 2.04 -0.81 -1.82 117.51 117.64 1ceh h ILE 9 Ca 0.19 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1ceh h ILE 9 Cb -0.01 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1ceh h ILE 9 CO -0.04 0.26 -0.19 0.11 0.00 0.00 0.00 178.15 178.29 1ceh h LYS 10 N 0.61 0.00 -0.87 2.37 1.57 -1.01 0.45 116.57 119.69 1ceh h LYS 10 Ca 0.15 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1ceh h LYS 10 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1ceh h LYS 10 CO -0.01 0.19 0.56 0.00 -0.57 0.00 0.00 179.45 179.63 1ceh h LYS 12 N 1.09 0.05 -2.96 0.00 1.79 -0.76 -3.40 116.57 112.38 1ceh h LYS 12 Ca 0.35 -0.09 -0.61 0.00 -2.18 0.00 0.00 60.65 58.12 1ceh h LYS 12 Cb 0.01 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 30.29 1ceh h LYS 12 CO -0.12 0.72 -0.71 0.42 -1.08 0.00 0.00 179.45 178.68 1ceh s ILE 13 N -2.62 1.84 -0.35 1.86 1.01 0.15 -4.96 121.20 118.13 1ceh s ILE 13 Ca -0.06 -3.22 0.26 0.00 0.00 0.00 0.00 60.65 57.64 1ceh s ILE 13 Cb 0.08 -2.25 0.28 0.00 0.01 0.00 0.00 42.46 40.58 1ceh s ILE 13 CO 0.82 -0.98 1.78 -0.65 0.00 0.00 0.00 174.94 175.91 1ceh h PRO 14 N 6.09 0.00 -0.01 2.79 0.11 -1.73 -2.26 132.00 136.99 1ceh h PRO 14 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1ceh h PRO 14 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1ceh h PRO 14 CO 0.56 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.16 1ceh n SER 15 N -2.44 0.60 -4.91 -2.05 3.41 -1.26 -4.95 113.62 102.03 1ceh n SER 15 Ca 0.02 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.41 1ceh n SER 15 Cb 0.25 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1ceh n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ceh s SER 16 N -2.25 6.42 -0.70 4.04 0.15 -0.85 -5.04 113.70 115.47 1ceh s SER 16 Ca 0.36 0.41 -0.08 0.00 0.70 0.00 0.00 55.95 57.33 1ceh s SER 16 Cb 0.21 -2.02 0.18 0.00 -1.71 0.00 0.00 66.02 62.68 1ceh s SER 16 CO 0.42 0.17 0.57 -1.61 1.20 0.00 0.00 173.24 173.98 1ceh s GLU 17 N -2.34 2.98 0.38 5.44 0.41 -1.26 -4.82 118.70 119.48 1ceh s GLU 17 Ca 0.34 -2.46 0.07 0.00 -0.41 0.00 0.00 54.97 52.51 1ceh s GLU 17 Cb -0.13 -4.03 0.80 0.00 -1.78 0.00 0.00 34.13 28.99 1ceh s GLU 17 CO 0.24 -1.22 1.99 -1.35 -0.49 0.00 0.00 175.26 174.42 1ceh h PRO 18 N 7.42 0.66 0.00 0.39 0.11 -1.94 0.16 132.00 138.79 1ceh h PRO 18 Ca 0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1ceh h PRO 18 Cb 0.99 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1ceh h PRO 18 CO 0.74 0.43 -0.17 1.25 -0.21 0.00 0.00 178.00 180.05 1ceh h LEU 19 N 0.68 0.00 0.05 2.35 7.12 -1.94 -1.35 115.31 122.22 1ceh h LEU 19 Ca 0.27 0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.93 1ceh h LEU 19 Cb 0.20 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.29 1ceh h LEU 19 CO -0.08 0.17 -1.93 0.18 -0.13 0.00 0.00 178.44 176.65 1ceh n LEU 20 N -3.63 2.36 0.07 2.25 4.32 0.32 -3.99 117.00 118.71 1ceh n LEU 20 Ca -0.01 0.24 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1ceh n LEU 20 Cb 0.30 -1.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.07 1ceh n LEU 20 CO 0.32 0.65 0.21 0.44 -1.22 0.00 0.00 177.39 177.79 1ceh h ASP 21 N -0.42 0.48 -0.01 -1.43 3.32 -0.78 -3.35 116.42 114.23 1ceh h ASP 21 Ca -0.47 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1ceh h ASP 21 Cb 1.73 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1ceh h ASP 21 CO -0.10 1.18 -0.25 0.49 -1.72 0.00 0.00 179.24 178.83 1ceh n PHE 22 N -3.74 0.00 -3.09 4.55 3.72 -0.52 -4.89 117.46 113.50 1ceh n PHE 22 Ca -0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 1ceh n PHE 22 Cb 0.82 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.30 1ceh n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ceh s ASN 23 N -1.56 7.27 -1.10 4.37 2.47 -1.24 -3.85 114.94 121.30 1ceh s ASN 23 Ca 0.10 1.50 -0.09 0.00 0.42 0.00 0.00 52.86 54.80 1ceh s ASN 23 Cb 0.10 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1ceh s ASN 23 CO 0.31 0.23 0.88 -3.20 -3.72 0.00 0.00 177.10 171.60 1ceh n ASN 24 N 1.63 -5.55 -4.07 -4.21 4.05 0.18 -4.79 115.26 102.51 1ceh n ASN 24 Ca -0.07 -0.79 -0.29 0.00 0.45 0.00 0.00 54.58 53.88 1ceh n ASN 24 Cb 0.49 -4.68 -0.17 0.00 1.23 0.00 0.00 39.78 36.66 1ceh n ASN 24 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ceh s TYR 25 N -3.43 2.00 0.00 1.20 6.14 -0.91 -0.30 117.35 122.05 1ceh s TYR 25 Ca 0.39 -0.93 0.00 0.00 0.64 0.00 0.00 57.07 57.17 1ceh s TYR 25 Cb -0.08 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.87 1ceh s TYR 25 CO 0.77 -0.47 0.00 0.41 0.64 0.00 0.00 175.55 176.90 1ceh n GLY 26 N 4.14 0.74 0.09 8.97 0.00 0.34 -2.90 105.19 116.57 1ceh n GLY 26 Ca -0.19 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.21 1ceh n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ceh n TYR 28 N -2.38 0.00 -2.64 0.00 4.01 -1.25 -3.23 117.16 111.67 1ceh n TYR 28 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1ceh n TYR 28 Cb 0.48 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 1ceh n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ceh n GLY 30 N 5.32 1.84 3.60 0.00 0.00 -1.26 -0.64 105.19 114.04 1ceh n GLY 30 Ca 0.02 -2.06 -0.49 0.00 0.00 0.00 0.00 46.02 43.48 1ceh n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ceh n LEU 31 N 0.00 1.81 0.00 0.99 4.77 -1.26 -4.50 117.00 118.81 1ceh n LEU 31 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1ceh n LEU 31 Cb 0.00 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1ceh n LEU 31 CO 0.00 -1.08 0.00 0.61 -1.33 0.00 0.00 177.39 175.59 1ceh n GLY 32 N 2.29 0.99 0.00 -0.72 0.00 -1.26 -4.99 105.19 101.50 1ceh n GLY 32 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ceh n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ceh n GLY 33 N 0.00 4.53 3.59 -0.02 0.00 -1.26 -4.53 105.19 107.50 1ceh n GLY 33 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1ceh n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ceh s SER 34 N 0.00 -0.28 0.00 1.61 0.15 -1.20 -4.97 113.70 109.02 1ceh s SER 34 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1ceh s SER 34 Cb 0.00 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1ceh s SER 34 CO 0.00 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1ceh n GLY 35 N -0.38 -2.00 3.75 9.45 0.00 -1.26 -4.76 105.19 109.98 1ceh n GLY 35 Ca -0.09 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1ceh n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ceh s THR 36 N 0.00 5.08 0.33 2.61 2.01 -0.80 -5.02 115.64 119.85 1ceh s THR 36 Ca 0.00 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 1ceh s THR 36 Cb 0.00 -3.85 -0.12 0.00 0.01 0.00 0.00 72.50 68.54 1ceh s THR 36 CO 0.00 0.38 1.26 -2.65 -0.69 0.00 0.00 174.62 172.92 1ceh n PRO 37 N 3.15 2.05 0.16 4.92 -0.02 -1.26 -4.82 135.00 139.17 1ceh n PRO 37 Ca -0.08 0.72 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1ceh n PRO 37 Cb 0.51 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1ceh n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1ceh h VAL 38 N 2.50 0.51 -2.45 -1.45 -1.51 -1.95 -3.48 116.25 108.41 1ceh h VAL 38 Ca -0.45 -1.74 0.04 0.00 -1.23 0.00 0.00 66.70 63.32 1ceh h VAL 38 Cb 1.29 2.21 -0.00 0.00 -2.13 0.00 0.00 31.29 32.65 1ceh h VAL 38 CO 0.62 0.29 0.28 -0.90 -1.23 0.00 0.00 177.57 176.63 1ceh n ASP 39 N -3.13 -1.34 0.13 4.19 5.68 -1.26 -5.02 116.55 115.79 1ceh n ASP 39 Ca 0.02 -1.84 -0.02 0.00 -0.50 0.00 0.00 54.79 52.45 1ceh n ASP 39 Cb 0.67 2.21 0.19 0.00 -1.14 0.00 0.00 41.12 43.05 1ceh n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ceh h ASP 40 N 1.30 0.10 -0.58 -1.12 3.32 -1.93 0.04 116.42 117.54 1ceh h ASP 40 Ca -0.20 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1ceh h ASP 40 Cb 0.80 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1ceh h ASP 40 CO 0.26 0.63 0.37 0.25 -1.72 0.00 0.00 179.24 179.03 1ceh h LEU 41 N 0.07 0.68 -0.88 1.55 5.85 -1.93 -0.01 115.31 120.65 1ceh h LEU 41 Ca -0.00 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1ceh h LEU 41 Cb 0.99 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1ceh h LEU 41 CO 0.08 0.52 0.00 -0.78 -0.34 0.00 0.00 178.44 177.92 1ceh h ASP 42 N 0.78 0.80 0.01 1.25 3.58 -1.79 0.06 116.42 121.12 1ceh h ASP 42 Ca 0.21 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 1ceh h ASP 42 Cb -0.05 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 1ceh h ASP 42 CO -0.04 0.87 -0.20 -0.09 -2.88 0.00 0.00 179.24 176.90 1ceh h ARG 43 N 0.78 0.34 -0.38 0.28 2.43 -0.48 0.11 114.38 117.45 1ceh h ARG 43 Ca 0.15 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1ceh h ARG 43 Cb 0.46 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1ceh h ARG 43 CO 0.02 0.53 0.20 0.00 -1.51 0.00 0.00 179.97 179.21 1ceh h GLN 46 N 1.15 0.10 -0.64 0.00 4.15 -0.46 -0.82 115.11 118.60 1ceh h GLN 46 Ca 0.40 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1ceh h GLN 46 Cb 0.09 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1ceh h GLN 46 CO -0.15 0.07 0.41 1.15 -1.93 0.00 0.00 178.83 178.38 1ceh h THR 47 N 0.11 1.17 -0.57 2.39 2.02 -1.17 -1.42 112.91 115.44 1ceh h THR 47 Ca 0.07 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1ceh h THR 47 Cb 0.06 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1ceh h THR 47 CO -0.09 0.17 0.35 -0.74 0.37 0.00 0.00 175.52 175.58 1ceh h HIS 48 N 0.86 0.65 -0.66 3.16 -0.00 -1.15 1.00 115.15 119.02 1ceh h HIS 48 Ca 0.23 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.65 1ceh h HIS 48 Cb -0.07 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.09 1ceh h HIS 48 CO -0.02 0.38 0.41 -0.44 -0.00 0.00 0.00 177.93 178.25 1ceh h ASP 49 N 0.69 0.67 -0.46 3.26 5.19 -0.82 -1.13 116.42 123.82 1ceh h ASP 49 Ca 0.23 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1ceh h ASP 49 Cb 0.01 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 1ceh h ASP 49 CO -0.09 0.47 0.07 0.78 -3.12 0.00 0.00 179.24 177.34 1ceh h ASN 50 N 0.80 0.79 -0.17 6.45 2.35 -0.99 -0.77 115.58 124.05 1ceh h ASN 50 Ca 0.26 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1ceh h ASN 50 Cb 0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1ceh h ASN 50 CO -0.10 0.82 0.09 0.00 -1.65 0.00 0.00 177.43 176.59 1ceh h TYR 52 N 0.19 0.60 -0.92 0.00 -1.99 -1.08 -0.11 116.97 113.65 1ceh h TYR 52 Ca 0.06 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.90 1ceh h TYR 52 Cb -0.00 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 38.46 1ceh h TYR 52 CO -0.08 0.34 0.57 0.87 -0.00 0.00 0.00 178.16 179.86 1ceh h LYS 53 N 0.64 0.95 -0.40 4.88 1.57 -0.85 -1.29 116.57 122.06 1ceh h LYS 53 Ca 0.21 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ceh h LYS 53 Cb 0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1ceh h LYS 53 CO -0.09 0.63 0.25 0.37 -0.57 0.00 0.00 179.45 180.04 1ceh h GLN 54 N 0.97 0.53 -0.75 3.15 5.75 -0.51 -3.05 115.11 121.20 1ceh h GLN 54 Ca 0.43 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.90 1ceh h GLN 54 Cb 0.31 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1ceh h GLN 54 CO -0.22 0.37 0.50 0.00 -2.65 0.00 0.00 178.83 176.83 1ceh h ALA 55 N 1.12 1.50 0.00 3.38 0.00 0.12 -1.80 119.26 123.58 1ceh h ALA 55 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ceh h ALA 55 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1ceh h ALA 55 CO -0.03 0.46 -0.00 0.87 0.00 0.00 0.00 179.25 180.54 1ceh h LYS 56 N 0.98 0.00 0.00 0.00 1.57 -1.32 -0.29 116.57 117.51 1ceh h LYS 56 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1ceh h LYS 56 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1ceh h LYS 56 CO -0.07 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.69 1ceh h LYS 57 N 0.00 0.00 -6.34 3.15 1.57 -1.38 -3.41 116.57 110.16 1ceh h LYS 57 Ca -0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1ceh h LYS 57 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1ceh h LYS 57 CO 0.00 0.00 0.81 -0.51 -0.57 0.00 0.00 179.45 179.18 1ceh s LEU 58 N -5.42 4.30 0.54 2.94 1.02 -0.12 -4.89 118.68 117.06 1ceh s LEU 58 Ca 0.06 2.02 0.27 0.00 0.02 0.00 0.00 54.13 56.50 1ceh s LEU 58 Cb 0.09 -3.56 1.44 0.00 0.02 0.00 0.00 46.19 44.18 1ceh s LEU 58 CO 0.57 -0.70 1.99 0.44 0.02 0.00 0.00 176.35 178.67 1ceh h ASP 59 N 7.82 0.00 -0.79 2.29 5.19 -1.87 0.16 116.42 129.22 1ceh h ASP 59 Ca -0.36 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1ceh h ASP 59 Cb 1.17 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.63 1ceh h ASP 59 CO 0.90 0.00 0.49 -1.28 -3.12 0.00 0.00 179.24 176.23 1ceh h SER 60 N 0.00 0.79 0.49 6.45 0.87 -1.92 -2.91 113.55 117.31 1ceh h SER 60 Ca 0.25 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.61 1ceh h SER 60 Cb 1.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1ceh h SER 60 CO -0.00 0.52 -0.87 0.00 -0.53 0.00 0.00 176.83 175.95 1ceh h LYS 62 N 0.15 0.00 -1.01 0.00 1.57 -1.06 -2.45 116.57 113.78 1ceh h LYS 62 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ceh h LYS 62 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1ceh h LYS 62 CO 0.14 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.30 1ceh n VAL 63 N -2.86 0.44 -4.13 0.50 0.31 -1.11 -4.85 118.33 106.63 1ceh n VAL 63 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 1ceh n VAL 63 Cb 0.15 -0.68 -0.09 0.00 -0.91 0.00 0.00 33.84 32.31 1ceh n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ceh s LEU 64 N 0.00 1.06 -0.03 7.52 1.43 -0.92 -5.08 118.68 122.66 1ceh s LEU 64 Ca 0.00 -1.22 0.21 0.00 -1.03 0.00 0.00 54.13 52.09 1ceh s LEU 64 Cb 0.00 0.72 -0.32 0.00 0.03 0.00 0.00 46.19 46.62 1ceh s LEU 64 CO 0.00 -0.89 0.49 0.55 0.23 0.00 0.00 176.35 176.73 1ceh n VAL 65 N -0.26 0.00 -1.35 -1.59 3.14 -1.26 -5.07 118.33 111.93 1ceh n VAL 65 Ca -0.01 -0.45 -0.29 0.00 -2.96 0.00 0.00 64.34 60.63 1ceh n VAL 65 Cb 0.65 0.08 0.13 0.00 -1.06 0.00 0.00 33.84 33.64 1ceh n VAL 65 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1ceh s ASP 66 N -4.32 3.64 0.27 6.55 1.01 -1.26 -5.02 116.67 117.54 1ceh s ASP 66 Ca -0.07 1.30 -0.29 0.00 0.71 0.00 0.00 52.55 54.20 1ceh s ASP 66 Cb 0.14 -1.98 -0.10 0.00 1.01 0.00 0.00 42.92 41.99 1ceh s ASP 66 CO 0.87 -2.51 1.24 0.54 0.21 0.00 0.00 175.17 175.52 1ceh s ASN 67 N -3.66 6.97 0.41 0.27 2.20 -1.26 -4.92 114.94 114.96 1ceh s ASN 67 Ca 0.63 2.46 0.26 0.00 -0.94 0.00 0.00 52.86 55.27 1ceh s ASN 67 Cb -0.16 -2.63 1.33 0.00 -2.00 0.00 0.00 41.25 37.79 1ceh s ASN 67 CO 0.56 -0.40 1.64 1.55 -2.94 0.00 0.00 177.10 177.51 1ceh h PRO 68 N 4.11 0.14 -0.99 3.55 0.13 -2.00 0.29 132.00 137.23 1ceh h PRO 68 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ceh h PRO 68 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ceh h PRO 68 CO 0.69 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 179.22 1ceh n TYR 69 N -4.78 0.00 -1.18 1.56 4.01 -1.26 -2.68 117.16 112.82 1ceh n TYR 69 Ca 0.35 -0.18 0.03 0.00 -0.16 0.00 0.00 57.90 57.95 1ceh n TYR 69 Cb 1.29 -0.14 0.05 0.00 -0.31 0.00 0.00 39.34 40.23 1ceh n TYR 69 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1ceh n THR 70 N 0.37 0.80 -2.53 -0.72 -1.04 0.10 -0.81 114.28 110.46 1ceh n THR 70 Ca 0.00 -0.93 -0.43 0.00 -2.04 0.00 0.00 64.05 60.65 1ceh n THR 70 Cb 0.27 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1ceh n THR 70 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ceh n ASN 71 N -0.56 4.86 -4.68 8.00 5.15 -1.09 -4.28 115.26 122.65 1ceh n ASN 71 Ca 0.05 -2.94 -0.42 0.00 -0.60 0.00 0.00 54.58 50.67 1ceh n ASN 71 Cb 0.57 -1.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.13 1ceh n ASN 71 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ceh s ASN 72 N 3.38 6.72 0.00 1.20 -0.87 -1.26 -3.27 114.94 120.84 1ceh s ASN 72 Ca 0.49 2.29 0.00 0.00 -1.57 0.00 0.00 52.86 54.06 1ceh s ASN 72 Cb 0.04 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 1ceh s ASN 72 CO 0.03 -0.82 0.00 0.00 -2.57 0.00 0.00 177.10 173.74 1ceh n TYR 73 N 5.72 0.00 -4.70 2.20 4.11 -1.26 -4.92 117.16 118.30 1ceh n TYR 73 Ca 0.15 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.82 1ceh n TYR 73 Cb 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.61 1ceh n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1ceh s SER 74 N -0.66 1.84 0.17 9.48 0.01 -1.26 -5.02 113.70 118.26 1ceh s SER 74 Ca 0.00 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 1ceh s SER 74 Cb 0.00 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.07 1ceh s SER 74 CO 0.00 0.18 0.50 -0.72 0.41 0.00 0.00 173.24 173.61 1ceh s TYR 75 N -0.41 -0.19 0.13 2.43 1.13 -1.26 -2.15 117.35 117.03 1ceh s TYR 75 Ca 0.06 -0.13 0.11 0.00 -1.41 0.00 0.00 57.07 55.69 1ceh s TYR 75 Cb -0.06 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 1ceh s TYR 75 CO -0.00 -0.85 -0.26 -1.54 -2.51 0.00 0.00 175.55 170.39 1ceh s SER 76 N -2.84 3.23 -0.22 -0.18 1.04 -0.42 -4.98 113.70 109.33 1ceh s SER 76 Ca 0.07 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 1ceh s SER 76 Cb -0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1ceh s SER 76 CO -0.06 0.15 0.03 0.00 0.98 0.00 0.00 173.24 174.34 1ceh s SER 78 N 1.22 1.18 -1.45 0.00 0.15 -0.36 -4.83 113.70 109.61 1ceh s SER 78 Ca 0.04 -0.02 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 1ceh s SER 78 Cb -0.14 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 1ceh s SER 78 CO 0.02 -0.19 0.84 0.59 1.20 0.00 0.00 173.24 175.71 1ceh n ASN 79 N 4.94 -3.15 -1.47 5.45 3.02 -1.26 -0.65 115.26 122.13 1ceh n ASN 79 Ca -0.11 -0.81 -0.19 0.00 -0.03 0.00 0.00 54.58 53.44 1ceh n ASN 79 Cb 0.50 -3.88 -0.08 0.00 -0.61 0.00 0.00 39.78 35.71 1ceh n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ceh n ASN 80 N -2.92 -5.42 -4.50 6.41 3.02 -1.26 -4.99 115.26 105.60 1ceh n ASN 80 Ca -0.11 0.48 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 1ceh n ASN 80 Cb 0.59 -4.61 -0.12 0.00 -0.61 0.00 0.00 39.78 35.03 1ceh n ASN 80 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ceh s GLU 81 N -3.62 2.34 -0.14 3.52 2.56 0.17 -4.54 118.70 118.98 1ceh s GLU 81 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 54.97 54.01 1ceh s GLU 81 Cb 0.00 -2.33 -0.05 0.00 2.00 0.00 0.00 34.13 33.75 1ceh s GLU 81 CO 0.00 0.58 0.31 0.42 -0.56 0.00 0.00 175.26 176.01 1ceh s ILE 82 N -0.87 5.28 -0.15 -3.70 1.01 -1.26 -1.22 121.20 120.29 1ceh s ILE 82 Ca 0.14 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.38 1ceh s ILE 82 Cb -0.11 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1ceh s ILE 82 CO 0.04 0.41 -0.16 -0.89 0.00 0.00 0.00 174.94 174.35 1ceh s THR 83 N 0.26 1.68 0.26 2.92 2.01 -0.76 -5.00 115.64 117.02 1ceh s THR 83 Ca 0.18 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1ceh s THR 83 Cb -0.13 -1.56 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 1ceh s THR 83 CO 0.05 0.48 0.98 0.00 -0.69 0.00 0.00 174.62 175.44 1ceh s SER 85 N -1.19 6.88 0.25 0.00 0.15 -0.91 -4.95 113.70 113.92 1ceh s SER 85 Ca 0.43 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.52 1ceh s SER 85 Cb -0.26 -2.34 0.96 0.00 -1.71 0.00 0.00 66.02 62.68 1ceh s SER 85 CO 0.33 0.03 1.71 -1.54 1.20 0.00 0.00 173.24 174.97 1ceh n SER 86 N 0.56 0.67 0.02 5.45 3.41 -1.26 -1.65 113.62 120.82 1ceh n SER 86 Ca -0.03 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1ceh n SER 86 Cb 0.52 -0.80 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 1ceh n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ceh n GLU 87 N -2.23 0.03 -2.54 4.33 4.71 -1.26 -4.78 120.64 118.90 1ceh n GLU 87 Ca 0.02 0.32 -0.41 0.00 -0.01 0.00 0.00 57.16 57.09 1ceh n GLU 87 Cb 0.25 -1.55 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 1ceh n GLU 87 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1ceh s ASN 88 N -3.16 7.31 1.07 1.62 0.02 -0.66 -5.00 114.94 116.13 1ceh s ASN 88 Ca 0.05 2.10 -0.12 0.00 -1.02 0.00 0.00 52.86 53.88 1ceh s ASN 88 Cb 0.08 -2.61 0.17 0.00 0.02 0.00 0.00 41.25 38.91 1ceh s ASN 88 CO 0.23 -0.16 0.80 0.59 0.02 0.00 0.00 177.10 178.59 1ceh n ASN 89 N 2.05 -0.69 0.04 -1.22 3.02 -1.26 -4.62 115.26 112.58 1ceh n ASN 89 Ca 0.01 -1.15 -0.12 0.00 -0.03 0.00 0.00 54.58 53.29 1ceh n ASN 89 Cb 0.46 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 1ceh n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ceh h ALA 90 N -2.13 0.01 0.24 5.41 0.00 -1.96 -0.50 119.26 120.34 1ceh h ALA 90 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ceh h ALA 90 Cb 0.79 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ceh h ALA 90 CO 0.19 -0.50 -0.22 0.00 0.00 0.00 0.00 179.25 178.72 1ceh h GLU 92 N -0.49 1.12 -0.20 0.00 5.08 -1.86 -0.71 114.58 117.53 1ceh h GLU 92 Ca -0.01 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1ceh h GLU 92 Cb 0.45 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ceh h GLU 92 CO -0.04 0.74 -0.50 0.00 -1.00 0.00 0.00 179.01 178.21 1ceh h ALA 93 N 1.46 0.76 -0.02 3.43 0.00 -0.89 0.27 119.26 124.27 1ceh h ALA 93 Ca 0.39 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ceh h ALA 93 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ceh h ALA 93 CO -0.13 0.67 -0.00 0.35 0.00 0.00 0.00 179.25 180.14 1ceh h PHE 94 N 0.43 0.03 -0.86 0.00 3.04 -0.54 -1.25 116.94 117.79 1ceh h PHE 94 Ca 0.02 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ceh h PHE 94 Cb 1.02 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 1ceh h PHE 94 CO 0.04 0.38 0.52 0.82 -2.02 0.00 0.00 178.31 178.05 1ceh h ILE 95 N -0.32 1.24 -0.72 1.41 1.08 -1.11 -1.13 117.51 117.95 1ceh h ILE 95 Ca 0.00 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1ceh h ILE 95 Cb 0.37 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 1ceh h ILE 95 CO 0.00 0.25 0.42 0.00 -0.69 0.00 0.00 178.15 178.13 1ceh h ASN 97 N 0.76 0.63 -0.36 0.00 -1.24 -0.74 0.14 115.58 114.76 1ceh h ASN 97 Ca 0.32 -0.33 0.07 0.00 0.71 0.00 0.00 56.30 57.07 1ceh h ASN 97 Cb 0.19 -0.17 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 1ceh h ASN 97 CO -0.18 0.81 -0.01 0.00 -1.29 0.00 0.00 177.43 176.76 1ceh h ASN 99 N 0.09 0.69 -0.35 0.00 2.35 -0.87 -2.26 115.58 115.22 1ceh h ASN 99 Ca 0.18 -0.42 0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1ceh h ASN 99 Cb 0.25 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1ceh h ASN 99 CO -0.30 0.96 0.20 -0.09 -1.65 0.00 0.00 177.43 176.54 1ceh h ARG 100 N 0.42 0.39 -0.80 0.81 2.43 -0.83 -0.70 114.38 116.11 1ceh h ARG 100 Ca 0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ceh h ARG 100 Cb 0.71 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1ceh h ARG 100 CO 0.05 0.26 0.52 -0.91 -1.51 0.00 0.00 179.97 178.39 1ceh h ASN 101 N 0.41 0.90 -0.13 -3.80 2.35 -0.97 -1.83 115.58 112.51 1ceh h ASN 101 Ca 0.14 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1ceh h ASN 101 Cb 0.01 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1ceh h ASN 101 CO -0.07 0.64 -0.58 0.00 -1.65 0.00 0.00 177.43 175.77 1ceh h ALA 102 N 1.30 0.54 -0.92 -0.83 0.00 -1.19 -0.13 119.26 118.04 1ceh h ALA 102 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ceh h ALA 102 Cb -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1ceh h ALA 102 CO -0.07 0.69 0.53 0.00 0.00 0.00 0.00 179.25 180.39 1ceh h ALA 103 N 0.79 1.19 -0.34 0.00 0.00 -0.70 0.38 119.26 120.59 1ceh h ALA 103 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1ceh h ALA 103 Cb 1.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ceh h ALA 103 CO 0.12 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.59 1ceh h ILE 104 N 1.28 1.29 -0.21 0.00 2.04 -1.16 -2.34 117.51 118.41 1ceh h ILE 104 Ca 0.33 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1ceh h ILE 104 Cb -0.01 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1ceh h ILE 104 CO -0.06 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.68 1ceh h PHE 106 N 0.25 0.96 0.00 0.00 -1.00 -0.92 0.81 116.94 117.04 1ceh h PHE 106 Ca 0.07 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1ceh h PHE 106 Cb 0.02 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.29 1ceh h PHE 106 CO -0.05 0.32 0.00 0.66 -1.61 0.00 0.00 178.31 177.63 1ceh h SER 107 N 0.81 0.00 -0.00 2.17 4.64 -0.82 -3.17 113.55 117.17 1ceh h SER 107 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1ceh h SER 107 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1ceh h SER 107 CO -0.31 0.00 -0.67 0.29 -0.87 0.00 0.00 176.83 175.28 1ceh n LYS 108 N -2.44 1.63 -4.14 4.77 4.76 0.22 -5.00 118.16 117.97 1ceh n LYS 108 Ca 0.02 -0.21 -0.23 0.00 -2.87 0.00 0.00 58.31 55.03 1ceh n LYS 108 Cb 0.28 -1.28 -0.05 0.00 -1.84 0.00 0.00 35.03 32.15 1ceh n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ceh s VAL 109 N -2.40 4.29 0.51 -0.18 -7.23 -0.86 -5.09 120.40 109.43 1ceh s VAL 109 Ca 0.08 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1ceh s VAL 109 Cb 0.13 -3.28 -0.06 0.00 0.56 0.00 0.00 36.38 33.72 1ceh s VAL 109 CO 0.61 -0.30 1.17 -2.84 -0.31 0.00 0.00 175.10 173.43 1ceh s PRO 110 N -3.64 3.50 -0.18 4.82 0.02 -1.26 -4.95 135.00 133.31 1ceh s PRO 110 Ca 0.32 1.75 -0.06 0.00 0.02 0.00 0.00 61.00 63.03 1ceh s PRO 110 Cb -0.08 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 1ceh s PRO 110 CO 0.24 -0.76 0.03 -0.47 -0.33 0.00 0.00 177.00 175.71 1ceh s TYR 111 N -1.61 3.15 -0.28 6.54 6.14 -1.26 -4.43 117.35 125.59 1ceh s TYR 111 Ca 0.69 -0.12 0.03 0.00 0.64 0.00 0.00 57.07 58.31 1ceh s TYR 111 Cb -0.28 -2.05 0.08 0.00 0.42 0.00 0.00 41.96 40.12 1ceh s TYR 111 CO 0.32 0.03 -0.04 -0.80 0.64 0.00 0.00 175.55 175.71 1ceh s ASN 112 N 0.51 4.42 0.55 4.32 0.01 -1.26 -4.99 114.94 118.50 1ceh s ASN 112 Ca 0.01 -1.62 0.27 0.00 -0.71 0.00 0.00 52.86 50.81 1ceh s ASN 112 Cb -0.13 -1.47 1.46 0.00 0.41 0.00 0.00 41.25 41.51 1ceh s ASN 112 CO 0.02 -0.27 1.98 0.07 -1.51 0.00 0.00 177.10 177.38 1ceh h LYS 113 N 7.77 0.00 -0.65 -0.60 -0.00 -1.97 0.03 116.57 121.15 1ceh h LYS 113 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 60.65 60.61 1ceh h LYS 113 Cb 1.04 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.23 1ceh h LYS 113 CO 0.47 0.00 0.43 0.93 -0.00 0.00 0.00 179.45 181.28 1ceh h GLU 114 N 0.00 0.46 -0.01 0.07 3.07 -2.03 -1.81 114.58 114.33 1ceh h GLU 114 Ca 0.24 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1ceh h GLU 114 Cb 1.05 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1ceh h GLU 114 CO -0.00 0.30 -0.17 0.72 -1.40 0.00 0.00 179.01 178.46 1ceh n HIS 115 N -4.48 0.00 -2.41 4.33 8.25 -0.01 -4.63 115.22 116.28 1ceh n HIS 115 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1ceh n HIS 115 Cb 0.37 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 1ceh n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ceh s LYS 116 N -2.31 4.44 -1.51 -0.41 2.47 -0.68 -0.50 119.74 121.24 1ceh s LYS 116 Ca 0.29 1.79 -0.09 0.00 -1.56 0.00 0.00 55.97 56.40 1ceh s LYS 116 Cb 0.20 -3.32 0.07 0.00 -1.46 0.00 0.00 37.83 33.31 1ceh s LYS 116 CO 0.45 -0.22 0.69 0.09 0.16 0.00 0.00 175.35 176.52 1ceh n ASN 117 N 3.66 -2.34 -4.71 1.43 4.13 0.59 -4.87 115.26 113.15 1ceh n ASN 117 Ca 0.08 -0.93 -0.42 0.00 1.68 0.00 0.00 54.58 54.99 1ceh n ASN 117 Cb 0.46 -3.30 -0.03 0.00 -1.54 0.00 0.00 39.78 35.37 1ceh n ASN 117 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ceh s LEU 118 N -7.09 4.38 -0.61 3.41 1.98 -1.11 -4.88 118.68 114.75 1ceh s LEU 118 Ca 0.37 2.81 -0.28 0.00 -2.89 0.00 0.00 54.13 54.13 1ceh s LEU 118 Cb -0.19 -3.59 -0.11 0.00 0.66 0.00 0.00 46.19 42.95 1ceh s LEU 118 CO 0.88 -0.97 2.48 0.47 -1.89 0.00 0.00 176.35 177.32 1ceh n ASP 119 N 4.50 1.77 0.00 3.68 9.92 -1.26 -4.84 116.55 130.32 1ceh n ASP 119 Ca 0.16 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1ceh n ASP 119 Cb 0.36 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 1ceh n ASP 119 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ceh n LYS 120 N 8.81 0.00 -2.27 -1.24 4.01 -1.26 -4.43 118.16 121.77 1ceh n LYS 120 Ca 0.45 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.83 1ceh n LYS 120 Cb 0.38 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.82 1ceh n LYS 120 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ceh n LYS 121 N -0.32 3.46 0.00 1.97 5.02 -1.26 -3.63 118.16 123.40 1ceh n LYS 121 Ca 0.00 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 52.91 1ceh n LYS 121 Cb 0.00 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 1ceh n LYS 121 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ceh n ASN 122 N 4.45 0.00 -0.64 4.39 4.05 -1.26 -5.31 115.26 120.95 1ceh n ASN 122 Ca 0.42 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.53 1ceh n ASN 122 Cb 0.37 0.00 0.07 0.00 1.23 0.00 0.00 39.78 41.45 1ceh n ASN 122 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21