#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubb s ASP 12 N 0.00 5.36 0.20 1.69 1.01 -1.26 -4.78 116.67 118.89 1ubb s ASP 12 Ca 0.00 2.73 -0.11 0.00 0.71 0.00 0.00 52.55 55.88 1ubb s ASP 12 Cb 0.00 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.52 1ubb s ASP 12 CO 0.00 -1.50 1.76 0.25 0.21 0.00 0.00 175.17 175.89 1ubb h LEU 13 N 1.53 0.30 -0.53 1.23 5.85 -1.92 0.11 115.31 121.88 1ubb h LEU 13 Ca -0.51 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1ubb h LEU 13 Cb 1.29 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1ubb h LEU 13 CO 0.58 0.19 0.18 0.77 -0.34 0.00 0.00 178.44 179.82 1ubb h SER 14 N 0.46 0.17 -0.42 1.25 4.64 -1.88 0.12 113.55 117.88 1ubb h SER 14 Ca 0.28 0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 1ubb h SER 14 Cb 0.28 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1ubb h SER 14 CO -0.25 0.12 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.26 1ubb h GLU 15 N 0.35 0.91 -0.89 4.77 5.08 -1.76 -1.98 114.58 121.06 1ubb h GLU 15 Ca 0.26 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1ubb h GLU 15 Cb 0.29 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ubb h GLU 15 CO -0.27 1.07 0.53 0.00 -1.00 0.00 0.00 179.01 179.34 1ubb h ALA 16 N 0.82 1.26 -0.33 3.43 0.00 -0.05 -0.92 119.26 123.46 1ubb h ALA 16 Ca 0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1ubb h ALA 16 Cb 0.82 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ubb h ALA 16 CO 0.07 0.63 -0.34 -0.07 0.00 0.00 0.00 179.25 179.54 1ubb h LEU 17 N 1.22 0.87 -0.52 0.00 3.38 -0.65 -0.20 115.31 119.42 1ubb h LEU 17 Ca 0.32 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1ubb h LEU 17 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1ubb h LEU 17 CO -0.06 1.17 0.09 0.50 0.09 0.00 0.00 178.44 180.23 1ubb h LYS 18 N 0.59 0.86 -0.51 1.13 3.64 -1.09 -1.58 116.57 119.62 1ubb h LYS 18 Ca 0.05 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1ubb h LYS 18 Cb 0.93 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1ubb h LYS 18 CO 0.08 0.84 -0.01 1.49 -2.27 0.00 0.00 179.45 179.59 1ubb h GLU 19 N 0.75 0.90 0.00 1.90 4.57 -1.13 -1.70 114.58 119.86 1ubb h GLU 19 Ca 0.16 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 1ubb h GLU 19 Cb 0.39 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1ubb h GLU 19 CO 0.01 0.93 -0.37 0.00 -1.18 0.00 0.00 179.01 178.40 1ubb h ALA 20 N 0.94 1.10 -0.02 2.92 0.00 -0.83 -3.27 119.26 120.09 1ubb h ALA 20 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ubb h ALA 20 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ubb h ALA 20 CO 0.03 0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.99 1ubb n THR 21 N -3.68 0.02 0.25 0.00 -2.24 -0.61 -4.63 114.28 103.40 1ubb n THR 21 Ca -0.01 -0.51 0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1ubb n THR 21 Cb 0.47 1.24 0.63 0.00 -2.10 0.00 0.00 70.33 70.57 1ubb n THR 21 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ubb h LYS 22 N 2.44 0.00 0.12 -0.78 2.10 -1.36 0.17 116.57 119.27 1ubb h LYS 22 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1ubb h LYS 22 Cb 0.53 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1ubb h LYS 22 CO 0.00 0.05 -0.90 0.93 -2.00 0.00 0.00 179.45 177.53 1ubb h GLU 23 N 0.00 0.25 0.00 0.07 5.08 -1.82 -3.10 114.58 115.05 1ubb h GLU 23 Ca -0.00 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1ubb h GLU 23 Cb 0.10 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ubb h GLU 23 CO 0.01 1.20 -0.13 -0.24 -1.00 0.00 0.00 179.01 178.85 1ubb h VAL 24 N -0.44 0.35 -0.56 3.13 3.04 -1.81 -2.31 116.25 117.65 1ubb h VAL 24 Ca -0.18 -0.82 -0.11 0.00 -1.01 0.00 0.00 66.70 64.58 1ubb h VAL 24 Cb 1.60 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 32.48 1ubb h VAL 24 CO 0.10 0.13 -0.10 -0.74 -1.01 0.00 0.00 177.57 175.95 1ubb h HIS 25 N 0.00 1.17 -0.55 3.17 6.17 -0.70 0.21 115.15 124.62 1ubb h HIS 25 Ca -0.00 -0.24 -0.01 0.00 0.71 0.00 0.00 60.37 60.83 1ubb h HIS 25 Cb 0.61 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 1ubb h HIS 25 CO 0.00 1.07 0.30 0.82 0.71 0.00 0.00 177.93 180.83 1ubb h ILE 26 N 0.93 1.19 -0.39 6.26 2.04 -1.34 -0.19 117.51 126.00 1ubb h ILE 26 Ca 0.15 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1ubb h ILE 26 Cb 0.67 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1ubb h ILE 26 CO 0.05 0.20 -0.13 0.03 0.00 0.00 0.00 178.15 178.30 1ubb h ARG 27 N 0.74 0.71 -0.11 2.37 3.08 -1.25 -2.61 114.38 117.31 1ubb h ARG 27 Ca 0.19 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ubb h ARG 27 Cb 0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ubb h ARG 27 CO -0.03 0.81 -0.01 0.00 -1.07 0.00 0.00 179.97 179.67 1ubb h ALA 28 N 1.22 0.16 0.00 0.04 0.00 -0.44 -2.43 119.26 117.81 1ubb h ALA 28 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ubb h ALA 28 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ubb h ALA 28 CO 0.04 -0.13 0.00 -0.85 0.00 0.00 0.00 179.25 178.31 1ubb n GLU 29 N -4.78 0.06 -0.28 0.00 0.28 -0.13 -2.41 120.64 113.38 1ubb n GLU 29 Ca -0.06 0.16 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 1ubb n GLU 29 Cb 0.22 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.79 1ubb n GLU 29 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ubb n ASN 30 N -1.45 3.32 -4.76 -1.84 3.02 -0.99 -4.47 115.26 108.09 1ubb n ASN 30 Ca 0.06 -2.34 -0.34 0.00 -0.03 0.00 0.00 54.58 51.92 1ubb n ASN 30 Cb 0.21 -0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 1ubb n ASN 30 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ubb s SER 31 N -1.29 5.07 0.20 6.41 1.04 -0.94 -4.72 113.70 119.47 1ubb s SER 31 Ca 0.31 2.19 -0.13 0.00 0.48 0.00 0.00 55.95 58.80 1ubb s SER 31 Cb 0.20 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.98 1ubb s SER 31 CO 0.14 -1.67 1.65 -0.08 0.98 0.00 0.00 173.24 174.26 1ubb h GLU 32 N 0.39 0.05 -0.74 4.02 4.81 -1.91 0.69 114.58 121.88 1ubb h GLU 32 Ca -0.48 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1ubb h GLU 32 Cb 1.27 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1ubb h GLU 32 CO 0.54 0.03 0.46 0.35 -0.73 0.00 0.00 179.01 179.66 1ubb h PHE 33 N 0.05 0.85 -0.04 0.92 3.57 -1.91 -1.27 116.94 119.12 1ubb h PHE 33 Ca 0.29 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 1ubb h PHE 33 Cb 0.46 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1ubb h PHE 33 CO -0.42 0.46 -0.64 0.52 -2.23 0.00 0.00 178.31 176.00 1ubb h MET 34 N 0.87 0.14 0.31 1.11 2.86 -1.58 -1.57 114.93 117.08 1ubb h MET 34 Ca 0.31 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1ubb h MET 34 Cb 0.08 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ubb h MET 34 CO -0.14 0.73 -0.15 0.00 1.06 0.00 0.00 176.91 178.41 1ubb h ARG 35 N 0.10 -0.40 -0.80 1.72 3.08 -0.24 0.15 114.38 117.99 1ubb h ARG 35 Ca -0.01 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ubb h ARG 35 Cb 1.14 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 1ubb h ARG 35 CO 0.09 -0.19 0.49 -0.91 -1.07 0.00 0.00 179.97 178.38 1ubb h ASN 36 N -0.54 0.95 -0.20 7.04 2.35 -1.26 -0.77 115.58 123.15 1ubb h ASN 36 Ca -0.04 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1ubb h ASN 36 Cb 0.40 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1ubb h ASN 36 CO 0.07 0.73 0.09 0.15 -1.65 0.00 0.00 177.43 176.82 1ubb h PHE 37 N 1.10 0.30 0.00 1.19 3.04 -1.03 0.82 116.94 122.36 1ubb h PHE 37 Ca 0.29 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 1ubb h PHE 37 Cb -0.05 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1ubb h PHE 37 CO 0.00 0.33 -0.13 1.96 -2.02 0.00 0.00 178.31 178.46 1ubb h GLN 38 N 0.18 0.00 0.00 1.11 4.20 -0.23 -0.50 115.11 119.87 1ubb h GLN 38 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ubb h GLN 38 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ubb h GLN 38 CO -0.01 0.13 -0.12 0.87 -0.67 0.00 0.00 178.83 179.04 1ubb h LYS 39 N 0.00 0.00 0.00 1.46 1.57 -0.68 -3.47 116.57 115.45 1ubb h LYS 39 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ubb h LYS 39 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ubb h LYS 39 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1ubb n GLY 40 N 1.24 0.82 0.59 3.86 0.00 -0.20 -4.95 105.19 106.56 1ubb n GLY 40 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1ubb n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ubb n GLN 41 N -2.32 1.57 -2.75 1.61 6.02 0.19 -4.84 117.38 116.85 1ubb n GLN 41 Ca 0.00 -0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 56.04 1ubb n GLN 41 Cb 0.00 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1ubb n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ubb s VAL 42 N -1.47 4.88 0.43 5.09 0.11 -1.25 -4.88 120.40 123.31 1ubb s VAL 42 Ca 0.09 1.98 0.07 0.00 -2.93 0.00 0.00 61.98 61.20 1ubb s VAL 42 Cb 0.07 -4.28 -0.02 0.00 -1.53 0.00 0.00 36.38 30.61 1ubb s VAL 42 CO 0.04 0.18 0.36 -0.94 -3.33 0.00 0.00 175.10 171.40 1ubb s SER 43 N 0.94 4.89 0.23 3.54 1.04 -1.26 -4.77 113.70 118.31 1ubb s SER 43 Ca 0.50 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 1ubb s SER 43 Cb -0.21 -0.42 0.32 0.00 0.10 0.00 0.00 66.02 65.82 1ubb s SER 43 CO 0.27 -0.71 1.80 -0.09 0.98 0.00 0.00 173.24 175.49 1ubb h ARG 44 N 1.04 0.67 0.10 4.02 2.43 -1.98 0.20 114.38 120.86 1ubb h ARG 44 Ca -0.41 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ubb h ARG 44 Cb 1.27 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1ubb h ARG 44 CO 0.59 0.45 -0.06 1.49 -1.51 0.00 0.00 179.97 180.93 1ubb h GLU 45 N 0.69 -0.15 -0.37 0.20 4.81 -1.99 0.54 114.58 118.31 1ubb h GLU 45 Ca 0.35 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1ubb h GLU 45 Cb 0.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1ubb h GLU 45 CO -0.23 -0.10 0.09 0.78 -0.73 0.00 0.00 179.01 178.83 1ubb h GLY 46 N -0.15 0.64 0.98 1.92 0.00 -1.89 -2.16 103.07 102.41 1ubb h GLY 46 Ca -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1ubb h GLY 46 CO 0.01 0.37 0.26 -2.75 0.00 0.00 0.00 176.54 174.43 1ubb h PHE 47 N 0.46 0.58 -0.83 5.60 3.57 -0.82 -1.41 116.94 124.09 1ubb h PHE 47 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ubb h PHE 47 Cb 0.30 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1ubb h PHE 47 CO 0.02 0.41 0.55 0.87 -2.23 0.00 0.00 178.31 177.93 1ubb h LYS 48 N 0.57 1.10 -0.32 1.11 1.57 -0.81 -1.30 116.57 118.50 1ubb h LYS 48 Ca 0.16 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1ubb h LYS 48 Cb 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1ubb h LYS 48 CO -0.03 0.73 0.04 1.25 -0.57 0.00 0.00 179.45 180.87 1ubb h LEU 49 N 1.13 0.52 -0.45 2.94 5.85 -0.84 -1.85 115.31 122.60 1ubb h LEU 49 Ca 0.30 -0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1ubb h LEU 49 Cb -0.13 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 1ubb h LEU 49 CO -0.07 0.65 -0.64 1.62 -0.34 0.00 0.00 178.44 179.67 1ubb h VAL 50 N 0.36 1.34 -0.14 1.05 3.04 -0.96 -2.49 116.25 118.44 1ubb h VAL 50 Ca 0.10 -1.94 -0.14 0.00 -1.01 0.00 0.00 66.70 63.70 1ubb h VAL 50 Cb 0.36 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1ubb h VAL 50 CO 0.01 0.60 -0.51 0.24 -1.01 0.00 0.00 177.57 176.89 1ubb h MET 51 N 0.37 0.39 -0.49 4.17 2.86 -1.24 -0.81 114.93 120.18 1ubb h MET 51 Ca -0.01 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 1ubb h MET 51 Cb 1.20 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1ubb h MET 51 CO 0.12 0.81 0.02 0.00 1.06 0.00 0.00 176.91 178.92 1ubb h ALA 52 N 1.15 0.66 -0.71 6.32 0.00 -1.32 0.54 119.26 125.89 1ubb h ALA 52 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ubb h ALA 52 Cb 1.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1ubb h ALA 52 CO 0.09 0.45 0.35 0.77 0.00 0.00 0.00 179.25 180.91 1ubb h SER 53 N 0.72 0.92 -0.02 0.00 0.02 -1.20 -1.87 113.55 112.12 1ubb h SER 53 Ca 0.14 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1ubb h SER 53 Cb 0.48 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1ubb h SER 53 CO 0.02 0.79 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.26 1ubb h LEU 54 N 0.99 0.34 -0.25 5.07 3.38 -0.78 -1.92 115.31 122.14 1ubb h LEU 54 Ca 0.25 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1ubb h LEU 54 Cb 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ubb h LEU 54 CO -0.03 0.53 0.01 0.22 0.09 0.00 0.00 178.44 179.26 1ubb h TYR 55 N 0.32 0.02 -0.21 1.13 3.20 -0.08 -0.24 116.97 121.11 1ubb h TYR 55 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1ubb h TYR 55 Cb 0.49 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1ubb h TYR 55 CO 0.01 -0.02 0.09 0.45 -1.64 0.00 0.00 178.16 177.05 1ubb h HIS 56 N 0.10 0.32 0.12 -3.82 3.86 -1.11 -1.83 115.15 112.79 1ubb h HIS 56 Ca 0.12 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1ubb h HIS 56 Cb 0.14 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1ubb h HIS 56 CO -0.18 0.35 -0.07 0.82 0.86 0.00 0.00 177.93 179.71 1ubb h ILE 57 N 0.20 0.85 -0.11 2.45 2.04 -1.06 -1.51 117.51 120.35 1ubb h ILE 57 Ca 0.07 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1ubb h ILE 57 Cb 0.17 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1ubb h ILE 57 CO -0.01 0.00 -0.30 1.88 0.00 0.00 0.00 178.15 179.72 1ubb h TYR 58 N -0.18 0.24 -0.18 1.37 0.05 -1.09 0.50 116.97 117.67 1ubb h TYR 58 Ca -0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1ubb h TYR 58 Cb 0.15 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1ubb h TYR 58 CO -0.08 0.50 0.10 1.15 -1.05 0.00 0.00 178.16 178.78 1ubb h THR 59 N 0.19 1.11 -0.22 -2.88 2.02 -1.07 0.17 112.91 112.23 1ubb h THR 59 Ca 0.03 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1ubb h THR 59 Cb 0.64 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1ubb h THR 59 CO 0.05 0.10 0.02 0.00 0.37 0.00 0.00 175.52 176.06 1ubb h ALA 60 N 0.98 0.29 -0.12 6.16 0.00 -0.96 -1.67 119.26 123.95 1ubb h ALA 60 Ca 0.06 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ubb h ALA 60 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ubb h ALA 60 CO -0.01 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.42 1ubb h LEU 61 N 0.16 -0.20 -1.16 0.00 5.85 -0.71 -1.58 115.31 117.67 1ubb h LEU 61 Ca 0.07 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1ubb h LEU 61 Cb 0.35 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ubb h LEU 61 CO 0.01 -0.08 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.49 1ubb h GLU 62 N -0.05 0.00 -0.32 1.25 5.08 -0.66 -0.67 114.58 119.21 1ubb h GLU 62 Ca 0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 1ubb h GLU 62 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ubb h GLU 62 CO -0.15 0.21 -0.44 1.49 -1.00 0.00 0.00 179.01 179.12 1ubb h GLU 63 N 0.00 0.86 -0.07 2.33 4.81 -0.89 -1.72 114.58 119.90 1ubb h GLU 63 Ca -0.00 -0.50 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 1ubb h GLU 63 Cb 0.72 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1ubb h GLU 63 CO 0.03 1.14 -0.61 0.93 -0.73 0.00 0.00 179.01 179.77 1ubb h GLU 64 N 0.65 0.26 -0.45 1.92 4.39 -0.83 -2.23 114.58 118.29 1ubb h GLU 64 Ca 0.04 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1ubb h GLU 64 Cb 1.04 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1ubb h GLU 64 CO 0.10 0.79 0.18 0.82 -1.16 0.00 0.00 179.01 179.74 1ubb h ILE 65 N 0.19 1.20 -0.71 3.13 2.04 -0.98 -1.76 117.51 120.62 1ubb h ILE 65 Ca -0.01 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1ubb h ILE 65 Cb 1.12 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1ubb h ILE 65 CO 0.10 0.23 0.43 -0.33 0.00 0.00 0.00 178.15 178.58 1ubb h GLU 66 N 0.59 0.97 -0.46 2.37 4.39 -1.19 0.40 114.58 121.65 1ubb h GLU 66 Ca 0.15 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1ubb h GLU 66 Cb 0.19 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1ubb h GLU 66 CO -0.01 0.69 0.31 -0.09 -1.16 0.00 0.00 179.01 178.75 1ubb h ARG 67 N 0.97 0.56 -0.29 2.33 2.43 -1.07 -2.88 114.38 116.43 1ubb h ARG 67 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1ubb h ARG 67 Cb -0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1ubb h ARG 67 CO -0.05 0.37 0.00 0.09 -1.51 0.00 0.00 179.97 178.87 1ubb n ASN 68 N -4.47 3.35 -0.10 -3.80 4.13 -0.69 -4.73 115.26 108.95 1ubb n ASN 68 Ca 0.04 -2.51 0.17 0.00 1.68 0.00 0.00 54.58 53.97 1ubb n ASN 68 Cb 0.10 -0.38 0.57 0.00 -1.54 0.00 0.00 39.78 38.53 1ubb n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ubb h LYS 69 N 1.82 0.25 -0.01 3.52 2.10 -0.00 -0.43 116.57 123.82 1ubb h LYS 69 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ubb h LYS 69 Cb 1.07 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1ubb h LYS 69 CO 0.11 0.17 -0.18 1.04 -2.00 0.00 0.00 179.45 178.58 1ubb n GLN 70 N -4.44 1.22 -2.67 0.07 1.13 -1.26 -4.03 117.38 107.40 1ubb n GLN 70 Ca 0.12 -0.77 -0.43 0.00 -1.94 0.00 0.00 57.00 53.99 1ubb n GLN 70 Cb 0.55 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 1ubb n GLN 70 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ubb s ASN 71 N -2.31 7.19 0.56 1.08 3.84 -0.17 -4.89 114.94 120.24 1ubb s ASN 71 Ca 0.28 1.49 0.30 0.00 0.21 0.00 0.00 52.86 55.15 1ubb s ASN 71 Cb 0.20 -2.55 1.46 0.00 -0.55 0.00 0.00 41.25 39.81 1ubb s ASN 71 CO 0.45 -0.53 1.87 -0.65 -2.79 0.00 0.00 177.10 175.46 1ubb h PRO 72 N 7.23 0.00 0.00 0.43 0.11 -1.89 0.13 132.00 138.01 1ubb h PRO 72 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ubb h PRO 72 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ubb h PRO 72 CO 0.90 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 180.02 1ubb n VAL 73 N -3.98 0.08 0.00 3.15 0.24 -1.26 -4.12 118.33 112.44 1ubb n VAL 73 Ca 0.14 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1ubb n VAL 73 Cb 0.86 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1ubb n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ubb n TYR 74 N -1.07 0.00 -0.21 6.34 9.36 -0.18 -4.75 117.16 126.65 1ubb n TYR 74 Ca 0.15 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.51 1ubb n TYR 74 Cb 0.10 0.00 0.27 0.00 -0.63 0.00 0.00 39.34 39.08 1ubb n TYR 74 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ubb n ALA 75 N -1.37 0.47 0.25 2.98 0.00 0.29 0.24 120.51 123.37 1ubb n ALA 75 Ca 0.00 0.65 0.17 0.00 0.00 0.00 0.00 53.44 54.26 1ubb n ALA 75 Cb 0.00 -0.56 0.90 0.00 0.00 0.00 0.00 19.45 19.79 1ubb n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ubb h PRO 76 N 0.00 0.00 -0.51 0.00 0.11 -1.85 -1.17 132.00 128.57 1ubb h PRO 76 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1ubb h PRO 76 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ubb h PRO 76 CO -0.54 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.53 1ubb n LEU 77 N -2.66 3.66 -4.55 2.35 4.77 0.14 -4.90 117.00 115.80 1ubb n LEU 77 Ca -0.02 -2.17 -0.39 0.00 -0.03 0.00 0.00 56.01 53.40 1ubb n LEU 77 Cb 0.06 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1ubb n LEU 77 CO 0.15 0.82 1.36 -0.47 -1.33 0.00 0.00 177.39 177.92 1ubb s TYR 78 N -1.32 2.11 -0.53 -1.77 5.04 -0.45 -4.86 117.35 115.57 1ubb s TYR 78 Ca 0.38 0.11 0.07 0.00 -2.44 0.00 0.00 57.07 55.18 1ubb s TYR 78 Cb 0.22 -4.44 0.32 0.00 0.35 0.00 0.00 41.96 38.41 1ubb s TYR 78 CO 0.22 -2.08 0.84 1.19 -1.34 0.00 0.00 175.55 174.38 1ubb n PHE 79 N 10.69 2.90 -0.12 4.97 3.72 -1.26 -4.96 117.46 133.40 1ubb n PHE 79 Ca 0.17 -3.96 -0.05 0.00 -0.05 0.00 0.00 57.45 53.56 1ubb n PHE 79 Cb 0.50 -0.48 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1ubb n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ubb h PRO 80 N 3.25 0.20 -0.43 -1.08 0.13 -1.97 -0.82 132.00 131.29 1ubb h PRO 80 Ca 0.13 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1ubb h PRO 80 Cb 0.65 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1ubb h PRO 80 CO 0.73 0.14 0.28 1.49 -0.23 0.00 0.00 178.00 180.41 1ubb h GLU 81 N 0.21 0.56 0.07 0.86 4.57 -1.94 -2.58 114.58 116.33 1ubb h GLU 81 Ca 0.20 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 58.06 1ubb h GLU 81 Cb 0.24 -0.13 0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1ubb h GLU 81 CO -0.26 0.37 -1.16 0.93 -1.18 0.00 0.00 179.01 177.70 1ubb h GLU 82 N 0.57 0.64 0.00 1.92 3.07 -1.84 -3.44 114.58 115.51 1ubb h GLU 82 Ca 0.16 -0.79 -0.26 0.00 -0.50 0.00 0.00 59.36 57.97 1ubb h GLU 82 Cb -0.06 0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 1ubb h GLU 82 CO -0.04 1.35 -1.94 1.28 -1.40 0.00 0.00 179.01 178.26 1ubb n LEU 83 N -3.81 2.41 -4.49 1.33 4.77 -0.33 -4.71 117.00 112.17 1ubb n LEU 83 Ca -0.12 0.01 -0.53 0.00 -0.03 0.00 0.00 56.01 55.34 1ubb n LEU 83 Cb 0.95 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1ubb n LEU 83 CO 0.57 0.64 0.45 1.41 -1.33 0.00 0.00 177.39 179.13 1ubb n HIS 84 N -3.24 0.52 0.52 -1.77 8.25 -0.97 -4.91 115.22 113.61 1ubb n HIS 84 Ca -0.31 0.92 0.05 0.00 -0.26 0.00 0.00 57.72 58.13 1ubb n HIS 84 Cb 0.79 -2.11 -0.04 0.00 1.12 0.00 0.00 29.99 29.75 1ubb n HIS 84 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ubb n ARG 85 N 1.45 2.79 -0.16 -0.41 5.12 -1.26 -4.76 116.66 119.43 1ubb n ARG 85 Ca 0.18 -0.26 -0.03 0.00 -1.93 0.00 0.00 57.85 55.81 1ubb n ARG 85 Cb 0.18 -1.07 0.06 0.00 -1.16 0.00 0.00 32.46 30.47 1ubb n ARG 85 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1ubb h ARG 86 N 0.52 0.37 -0.78 5.56 2.43 -1.91 0.20 114.38 120.77 1ubb h ARG 86 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1ubb h ARG 86 Cb 0.32 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ubb h ARG 86 CO 0.00 0.24 0.31 0.00 -1.51 0.00 0.00 179.97 179.01 1ubb h ALA 87 N 1.33 1.02 -0.41 2.80 0.00 -1.99 -0.35 119.26 121.65 1ubb h ALA 87 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ubb h ALA 87 Cb 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ubb h ALA 87 CO -0.24 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.77 1ubb h ALA 88 N 1.16 0.54 -0.10 0.00 0.00 -1.68 -2.42 119.26 116.76 1ubb h ALA 88 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ubb h ALA 88 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ubb h ALA 88 CO -0.02 0.20 -0.17 -0.07 0.00 0.00 0.00 179.25 179.19 1ubb h LEU 89 N 0.52 0.16 -0.98 0.00 3.38 -0.21 -1.17 115.31 117.01 1ubb h LEU 89 Ca 0.13 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1ubb h LEU 89 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ubb h LEU 89 CO -0.00 0.34 -0.37 -0.33 0.09 0.00 0.00 178.44 178.17 1ubb h GLU 90 N 0.16 0.27 -0.21 1.13 5.08 -0.72 0.23 114.58 120.51 1ubb h GLU 90 Ca 0.03 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1ubb h GLU 90 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ubb h GLU 90 CO 0.03 0.61 -0.42 1.96 -1.00 0.00 0.00 179.01 180.18 1ubb h GLN 91 N 0.23 0.65 -0.70 2.33 4.20 -0.88 -2.49 115.11 118.45 1ubb h GLN 91 Ca 0.03 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 1ubb h GLN 91 Cb 0.76 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1ubb h GLN 91 CO 0.06 1.04 0.15 -0.44 -0.67 0.00 0.00 178.83 178.97 1ubb h ASP 92 N 0.35 1.08 -0.65 1.46 3.45 -0.85 -1.75 116.42 119.50 1ubb h ASP 92 Ca 0.01 -0.24 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 1ubb h ASP 92 Cb 1.02 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.48 1ubb h ASP 92 CO 0.09 1.05 0.24 0.24 -1.57 0.00 0.00 179.24 179.29 1ubb h MET 93 N 1.07 1.02 -0.14 3.56 2.86 -0.52 0.03 114.93 122.81 1ubb h MET 93 Ca 0.22 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1ubb h MET 93 Cb 0.41 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1ubb h MET 93 CO 0.01 0.85 -0.36 0.00 1.06 0.00 0.00 176.91 178.47 1ubb h ALA 94 N 1.27 1.13 -0.03 6.32 0.00 -1.17 0.19 119.26 126.97 1ubb h ALA 94 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ubb h ALA 94 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ubb h ALA 94 CO -0.01 0.57 -0.03 0.35 0.00 0.00 0.00 179.25 180.12 1ubb h PHE 95 N 0.26 0.10 0.00 0.00 3.57 -0.59 0.17 116.94 120.44 1ubb h PHE 95 Ca 0.03 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1ubb h PHE 95 Cb 0.76 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ubb h PHE 95 CO 0.02 0.53 -0.92 -1.49 -2.23 0.00 0.00 178.31 174.22 1ubb h TRP 96 N -0.37 0.00 0.00 0.41 4.06 -0.97 -3.38 115.95 115.71 1ubb h TRP 96 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1ubb h TRP 96 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1ubb h TRP 96 CO 0.09 0.57 -0.55 0.66 -3.56 0.00 0.00 178.44 175.65 1ubb n TYR 97 N -3.10 0.00 -0.32 0.49 4.01 0.67 -5.08 117.16 113.83 1ubb n TYR 97 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1ubb n TYR 97 Cb 0.79 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 1ubb n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ubb n GLY 98 N 1.39 -3.16 0.38 2.72 0.00 0.05 -4.39 105.19 102.17 1ubb n GLY 98 Ca 0.01 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1ubb n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubb h PRO 99 N 0.00 0.56 -1.75 1.61 0.11 -1.92 -2.81 132.00 127.81 1ubb h PRO 99 Ca 0.00 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 65.39 1ubb h PRO 99 Cb 0.00 -0.13 -0.34 0.00 0.11 0.00 0.00 31.00 30.64 1ubb h PRO 99 CO 0.00 0.37 0.20 0.72 -0.21 0.00 0.00 178.00 179.08 1ubb n HIS 100 N -4.54 3.19 0.26 0.65 8.25 -1.26 -4.70 115.22 117.06 1ubb n HIS 100 Ca 0.17 -2.70 0.13 0.00 -0.26 0.00 0.00 57.72 55.06 1ubb n HIS 100 Cb 0.53 -0.66 0.68 0.00 1.12 0.00 0.00 29.99 31.66 1ubb n HIS 100 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1ubb h TRP 101 N 2.78 0.00 -0.31 4.41 5.08 -1.70 -3.17 115.95 123.04 1ubb h TRP 101 Ca 0.44 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.48 1ubb h TRP 101 Cb 0.47 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.55 1ubb h TRP 101 CO 1.01 0.13 -0.34 0.37 -1.28 0.00 0.00 178.44 178.33 1ubb h GLN 102 N 0.00 -0.30 -0.43 0.12 5.75 -1.88 -0.42 115.11 117.95 1ubb h GLN 102 Ca -0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1ubb h GLN 102 Cb 0.44 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1ubb h GLN 102 CO 0.02 -0.20 0.00 -0.85 -2.65 0.00 0.00 178.83 175.15 1ubb n GLU 103 N -5.41 2.18 -0.13 1.69 0.00 -1.21 -4.27 120.64 113.48 1ubb n GLU 103 Ca -0.01 -1.81 -0.22 0.00 0.00 0.00 0.00 57.16 55.13 1ubb n GLU 103 Cb 0.34 -1.43 -0.11 0.00 0.00 0.00 0.00 31.44 30.24 1ubb n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ubb n ALA 104 N 0.98 1.37 -1.73 -1.84 0.00 -0.57 -5.01 120.51 113.72 1ubb n ALA 104 Ca 0.18 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.14 1ubb n ALA 104 Cb 0.45 -0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.94 1ubb n ALA 104 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ubb n ILE 105 N -3.57 4.37 -2.22 0.00 -5.35 -0.27 -5.01 119.36 107.31 1ubb n ILE 105 Ca -0.48 -0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 61.21 1ubb n ILE 105 Cb 0.95 -1.56 0.01 0.00 -1.74 0.00 0.00 39.64 37.31 1ubb n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ubb s PRO 106 N -3.11 3.37 -0.40 6.28 0.04 -1.26 -5.05 135.00 134.88 1ubb s PRO 106 Ca 0.77 0.40 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1ubb s PRO 106 Cb -0.40 -2.20 0.16 0.00 0.04 0.00 0.00 34.50 32.10 1ubb s PRO 106 CO 0.45 -0.53 0.33 -0.47 0.04 0.00 0.00 177.00 176.82 1ubb s TYR 107 N -3.02 0.85 0.77 0.56 5.04 -1.26 -4.64 117.35 115.65 1ubb s TYR 107 Ca 0.53 -2.07 -0.12 0.00 -2.44 0.00 0.00 57.07 52.97 1ubb s TYR 107 Cb -0.11 -0.84 0.06 0.00 0.35 0.00 0.00 41.96 41.42 1ubb s TYR 107 CO 0.49 -0.85 1.12 0.95 -1.34 0.00 0.00 175.55 175.92 1ubb s THR 108 N 0.34 2.90 0.19 4.34 -4.23 -1.26 -4.79 115.64 113.14 1ubb s THR 108 Ca 0.29 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1ubb s THR 108 Cb -0.02 -2.74 0.10 0.00 1.34 0.00 0.00 72.50 71.18 1ubb s THR 108 CO -0.15 -0.34 1.78 -0.65 -0.54 0.00 0.00 174.62 174.73 1ubb h PRO 109 N -0.93 0.52 -0.25 3.99 0.11 -2.00 0.76 132.00 134.19 1ubb h PRO 109 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1ubb h PRO 109 Cb 1.25 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ubb h PRO 109 CO 0.50 0.34 -0.06 0.00 -0.21 0.00 0.00 178.00 178.56 1ubb h ALA 110 N 1.31 1.43 -0.27 -0.75 0.00 -1.93 0.15 119.26 119.21 1ubb h ALA 110 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ubb h ALA 110 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ubb h ALA 110 CO -0.19 0.40 -0.15 1.15 0.00 0.00 0.00 179.25 180.46 1ubb h THR 111 N 0.38 1.30 -0.78 0.00 2.02 -1.64 -2.25 112.91 111.93 1ubb h THR 111 Ca 0.08 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1ubb h THR 111 Cb 0.35 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1ubb h THR 111 CO 0.02 0.40 0.46 1.56 0.37 0.00 0.00 175.52 178.33 1ubb h GLN 112 N 0.32 1.07 -0.35 6.66 4.20 -0.16 -0.81 115.11 126.03 1ubb h GLN 112 Ca 0.06 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ubb h GLN 112 Cb 0.68 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1ubb h GLN 112 CO 0.04 0.76 0.23 1.25 -0.67 0.00 0.00 178.83 180.45 1ubb h HIS 113 N 1.07 0.45 -0.19 2.96 2.76 -0.63 0.14 115.15 121.71 1ubb h HIS 113 Ca 0.28 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1ubb h HIS 113 Cb -0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1ubb h HIS 113 CO -0.01 0.28 0.12 -0.92 -1.30 0.00 0.00 177.93 176.11 1ubb h TYR 114 N 0.48 0.25 -0.90 5.26 5.03 -1.02 -1.78 116.97 124.29 1ubb h TYR 114 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1ubb h TYR 114 Cb -0.05 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 1ubb h TYR 114 CO -0.05 0.18 0.58 0.28 -1.32 0.00 0.00 178.16 177.83 1ubb h VAL 115 N 0.25 1.24 -0.19 1.81 2.07 -0.87 -1.41 116.25 119.15 1ubb h VAL 115 Ca 0.07 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1ubb h VAL 115 Cb -0.00 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 1ubb h VAL 115 CO -0.01 0.24 0.05 0.50 0.02 0.00 0.00 177.57 178.36 1ubb h LYS 116 N 1.23 0.12 -0.74 1.57 3.64 -0.35 -1.70 116.57 120.35 1ubb h LYS 116 Ca 0.33 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1ubb h LYS 116 Cb -0.11 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1ubb h LYS 116 CO -0.07 0.08 0.30 -0.09 -2.27 0.00 0.00 179.45 177.40 1ubb h ARG 117 N 0.13 1.10 -0.92 1.90 9.65 -0.91 -1.95 114.38 123.37 1ubb h ARG 117 Ca 0.09 -0.19 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1ubb h ARG 117 Cb 0.07 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 1ubb h ARG 117 CO -0.11 0.89 0.61 -0.07 2.80 0.00 0.00 179.97 184.09 1ubb h LEU 118 N 1.07 1.00 -0.42 3.80 3.38 -0.66 -0.52 115.31 122.97 1ubb h LEU 118 Ca 0.25 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1ubb h LEU 118 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ubb h LEU 118 CO -0.02 0.69 -0.76 0.45 0.09 0.00 0.00 178.44 178.88 1ubb h HIS 119 N 1.16 0.38 0.09 1.13 3.86 -0.93 -0.51 115.15 120.33 1ubb h HIS 119 Ca 0.37 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1ubb h HIS 119 Cb 0.01 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1ubb h HIS 119 CO -0.00 0.93 -0.05 0.93 0.86 0.00 0.00 177.93 180.61 1ubb h GLU 120 N 0.18 -0.12 0.33 2.45 5.08 -0.66 0.94 114.58 122.78 1ubb h GLU 120 Ca -0.03 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ubb h GLU 120 Cb 1.34 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1ubb h GLU 120 CO 0.12 0.05 -0.26 0.28 -1.00 0.00 0.00 179.01 178.20 1ubb h VAL 121 N -0.28 0.44 -0.81 3.13 2.07 -1.09 0.66 116.25 120.38 1ubb h VAL 121 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1ubb h VAL 121 Cb 0.23 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1ubb h VAL 121 CO 0.02 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.37 1ubb h GLY 122 N -0.60 1.13 0.78 2.17 0.00 -1.03 0.16 103.07 105.68 1ubb h GLY 122 Ca -0.02 -0.37 -0.32 0.00 0.00 0.00 0.00 47.33 46.62 1ubb h GLY 122 CO -0.01 0.29 -1.86 0.61 0.00 0.00 0.00 176.54 175.57 1ubb n GLY 123 N -1.42 -0.90 0.03 4.60 0.00 0.32 -4.38 105.19 103.44 1ubb n GLY 123 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1ubb n GLY 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ubb n THR 124 N -3.10 0.46 -2.70 2.61 -1.04 0.23 -4.80 114.28 105.95 1ubb n THR 124 Ca -0.22 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.05 61.29 1ubb n THR 124 Cb 1.06 -0.82 -0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1ubb n THR 124 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1ubb n HIS 125 N -2.27 2.56 -0.05 -1.42 8.25 0.33 -4.92 115.22 117.70 1ubb n HIS 125 Ca -0.11 -3.29 0.25 0.00 -0.26 0.00 0.00 57.72 54.30 1ubb n HIS 125 Cb 0.72 -0.28 0.67 0.00 1.12 0.00 0.00 29.99 32.22 1ubb n HIS 125 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ubb h PRO 126 N 2.82 0.00 0.00 -0.41 0.13 -1.10 0.26 132.00 133.70 1ubb h PRO 126 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ubb h PRO 126 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ubb h PRO 126 CO 0.71 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1ubb n GLU 127 N -3.65 0.10 0.00 0.86 0.00 -1.26 -1.73 120.64 114.96 1ubb n GLU 127 Ca 0.14 0.42 0.10 0.00 0.00 0.00 0.00 57.16 57.82 1ubb n GLU 127 Cb 0.95 -1.72 -0.03 0.00 0.00 0.00 0.00 31.44 30.64 1ubb n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ubb n LEU 128 N -1.92 1.72 -0.18 -1.84 4.77 0.92 -4.46 117.00 116.02 1ubb n LEU 128 Ca 0.02 -0.69 0.12 0.00 -0.03 0.00 0.00 56.01 55.43 1ubb n LEU 128 Cb 0.15 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.68 1ubb n LEU 128 CO 0.14 0.34 1.21 0.25 -1.33 0.00 0.00 177.39 177.99 1ubb h LEU 129 N 1.74 0.52 -1.56 2.23 5.85 -1.42 -0.93 115.31 121.74 1ubb h LEU 129 Ca 0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1ubb h LEU 129 Cb 0.67 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1ubb h LEU 129 CO 0.00 0.29 0.44 1.62 -0.34 0.00 0.00 178.44 180.45 1ubb h VAL 130 N 0.56 0.90 -0.79 1.05 3.04 -1.78 -0.65 116.25 118.58 1ubb h VAL 130 Ca 0.36 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.88 1ubb h VAL 130 Cb 0.64 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 1ubb h VAL 130 CO -0.13 0.09 0.46 0.00 -1.01 0.00 0.00 177.57 176.98 1ubb h ALA 131 N 1.67 1.33 0.01 3.17 0.00 -1.45 0.45 119.26 124.44 1ubb h ALA 131 Ca 0.31 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1ubb h ALA 131 Cb 0.55 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ubb h ALA 131 CO -0.10 0.57 -0.95 0.45 0.00 0.00 0.00 179.25 179.23 1ubb h HIS 132 N 1.09 0.48 -0.13 0.00 -0.00 -1.21 -2.43 115.15 112.95 1ubb h HIS 132 Ca 0.28 -0.27 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1ubb h HIS 132 Cb -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1ubb h HIS 132 CO 0.01 1.10 -0.23 0.00 -0.00 0.00 0.00 177.93 178.80 1ubb h ALA 133 N 0.81 0.21 0.02 2.45 0.00 -1.16 -2.67 119.26 118.92 1ubb h ALA 133 Ca -0.07 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ubb h ALA 133 Cb 1.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1ubb h ALA 133 CO 0.16 0.18 -0.27 -0.92 0.00 0.00 0.00 179.25 178.39 1ubb h TYR 134 N -0.01 -0.74 -0.38 0.00 3.20 -0.97 0.26 116.97 118.33 1ubb h TYR 134 Ca 0.01 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1ubb h TYR 134 Cb 0.82 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.35 1ubb h TYR 134 CO 0.10 -0.37 0.05 1.15 -1.64 0.00 0.00 178.16 177.45 1ubb h THR 135 N -0.43 0.77 0.21 1.81 2.02 -1.46 -2.20 112.91 113.62 1ubb h THR 135 Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ubb h THR 135 Cb 0.51 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1ubb h THR 135 CO -0.22 0.03 -0.10 0.03 0.37 0.00 0.00 175.52 175.63 1ubb h ARG 136 N 0.16 -0.27 -0.35 6.66 2.47 -1.30 -3.25 114.38 118.51 1ubb h ARG 136 Ca 0.19 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.94 1ubb h ARG 136 Cb 0.24 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1ubb h ARG 136 CO -0.27 -0.18 0.20 1.88 0.56 0.00 0.00 179.97 182.16 1ubb h TYR 137 N -1.07 0.37 0.00 3.04 0.05 -1.02 -0.29 116.97 118.04 1ubb h TYR 137 Ca -0.03 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1ubb h TYR 137 Cb 0.21 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ubb h TYR 137 CO 0.00 0.21 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.14 1ubb h LEU 138 N 0.40 0.00 -0.09 3.88 3.38 -1.54 -1.15 115.31 120.19 1ubb h LEU 138 Ca 0.14 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 1ubb h LEU 138 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ubb h LEU 138 CO -0.07 0.12 -0.92 1.23 0.09 0.00 0.00 178.44 178.89 1ubb h GLY 139 N 1.94 0.79 1.01 0.83 0.00 -1.48 -2.62 103.07 103.55 1ubb h GLY 139 Ca -0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.06 1ubb h GLY 139 CO 0.02 1.12 0.52 -0.55 0.00 0.00 0.00 176.54 177.65 1ubb h ASP 140 N 0.44 1.04 0.00 0.19 3.32 -0.41 -0.67 116.42 120.33 1ubb h ASP 140 Ca -0.09 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ubb h ASP 140 Cb 1.56 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1ubb h ASP 140 CO 0.18 0.80 0.00 0.18 -1.72 0.00 0.00 179.24 178.68 1ubb n LEU 141 N -4.42 0.00 0.00 1.55 4.77 -0.49 -3.08 117.00 115.32 1ubb n LEU 141 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1ubb n LEU 141 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ubb n LEU 141 CO 0.38 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.24 1ubb n SER 142 N -0.97 0.00 -0.15 -1.43 7.64 -0.58 -4.78 113.62 113.35 1ubb n SER 142 Ca 0.22 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 1ubb n SER 142 Cb 0.10 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.51 1ubb n SER 142 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ubb h GLY 143 N 0.00 0.93 0.74 0.23 0.00 -1.48 -2.65 103.07 100.84 1ubb h GLY 143 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 47.33 46.96 1ubb h GLY 143 CO 0.00 0.46 0.53 -1.33 0.00 0.00 0.00 176.54 176.19 1ubb h GLY 144 N 0.97 1.01 1.88 4.60 0.00 -1.22 -0.56 103.07 109.75 1ubb h GLY 144 Ca 0.20 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1ubb h GLY 144 CO -0.02 0.13 -0.37 1.46 0.00 0.00 0.00 176.54 177.75 1ubb h GLN 145 N 0.65 0.13 -0.12 4.80 1.08 -1.40 -0.17 115.11 120.10 1ubb h GLN 145 Ca 0.38 -0.06 -0.22 0.00 -1.45 0.00 0.00 58.65 57.31 1ubb h GLN 145 Cb 0.59 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1ubb h GLN 145 CO -0.15 0.49 -0.79 0.28 -0.95 0.00 0.00 178.83 177.70 1ubb h VAL 146 N 0.12 1.29 -0.08 -0.54 2.07 -1.19 -3.09 116.25 114.83 1ubb h VAL 146 Ca 0.01 -2.01 -0.07 0.00 0.82 0.00 0.00 66.70 65.45 1ubb h VAL 146 Cb 0.71 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1ubb h VAL 146 CO 0.05 0.63 -0.29 -0.07 0.02 0.00 0.00 177.57 177.92 1ubb h LEU 147 N 0.45 0.14 -0.05 2.57 3.38 -0.87 -2.84 115.31 118.09 1ubb h LEU 147 Ca -0.07 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ubb h LEU 147 Cb 1.43 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1ubb h LEU 147 CO 0.16 0.43 -0.07 0.50 0.09 0.00 0.00 178.44 179.56 1ubb h LYS 148 N 0.13 -0.09 -0.68 1.13 3.64 -0.95 0.26 116.57 120.00 1ubb h LYS 148 Ca 0.02 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ubb h LYS 148 Cb 0.58 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1ubb h LYS 148 CO 0.04 -0.06 0.43 0.87 -2.27 0.00 0.00 179.45 178.47 1ubb h LYS 149 N -0.09 0.83 -0.77 1.90 1.57 -1.49 -1.05 116.57 117.47 1ubb h LYS 149 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ubb h LYS 149 Cb 0.16 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1ubb h LYS 149 CO -0.11 0.55 0.32 0.82 -0.57 0.00 0.00 179.45 180.46 1ubb h ILE 150 N 0.86 1.25 -0.30 1.86 2.04 -1.21 -2.32 117.51 119.70 1ubb h ILE 150 Ca 0.27 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1ubb h ILE 150 Cb -0.02 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1ubb h ILE 150 CO -0.09 0.32 0.08 0.00 0.00 0.00 0.00 178.15 178.47 1ubb h ALA 151 N 1.22 0.39 -0.52 1.87 0.00 0.19 -1.37 119.26 121.05 1ubb h ALA 151 Ca 0.26 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ubb h ALA 151 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ubb h ALA 151 CO -0.02 0.04 0.31 1.96 0.00 0.00 0.00 179.25 181.54 1ubb h GLN 152 N 0.32 0.59 0.03 0.00 4.20 -0.99 -1.09 115.11 118.17 1ubb h GLN 152 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1ubb h GLN 152 Cb 0.27 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ubb h GLN 152 CO -0.00 0.39 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.31 1ubb h LYS 153 N 0.61 -0.04 -0.24 1.46 3.64 -1.37 -1.17 116.57 119.47 1ubb h LYS 153 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1ubb h LYS 153 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1ubb h LYS 153 CO -0.10 0.33 0.15 0.00 -2.27 0.00 0.00 179.45 177.56 1ubb h ALA 154 N 0.53 0.30 -0.53 5.00 0.00 -1.13 -3.23 119.26 120.19 1ubb h ALA 154 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ubb h ALA 154 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ubb h ALA 154 CO 0.01 -0.22 0.00 -1.33 0.00 0.00 0.00 179.25 177.71 1ubb n MET 155 N -4.92 2.62 -3.39 0.00 2.81 -0.43 -4.99 117.12 108.82 1ubb n MET 155 Ca -0.03 -2.37 -0.17 0.00 -1.81 0.00 0.00 57.70 53.32 1ubb n MET 155 Cb 0.03 -1.47 0.08 0.00 -0.71 0.00 0.00 33.22 31.15 1ubb n MET 155 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ubb n ALA 156 N 1.32 -2.17 -2.64 3.04 0.00 -0.53 -4.99 120.51 114.54 1ubb n ALA 156 Ca 0.20 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1ubb n ALA 156 Cb 0.56 -3.43 -0.06 0.00 0.00 0.00 0.00 19.45 16.52 1ubb n ALA 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ubb s LEU 157 N -6.09 4.33 0.55 0.00 1.43 -0.67 -5.05 118.68 113.19 1ubb s LEU 157 Ca 0.14 0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 53.90 1ubb s LEU 157 Cb -0.02 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1ubb s LEU 157 CO 0.74 0.09 1.27 -0.81 0.23 0.00 0.00 176.35 177.87 1ubb n PRO 158 N 3.14 1.51 0.25 1.29 -0.04 -1.26 -4.78 135.00 135.11 1ubb n PRO 158 Ca -0.09 0.56 0.17 0.00 -0.04 0.00 0.00 63.50 64.10 1ubb n PRO 158 Cb 0.52 -2.47 0.83 0.00 -0.04 0.00 0.00 33.50 32.33 1ubb n PRO 158 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ubb h SER 159 N 1.24 0.00 0.38 3.54 0.02 -1.96 -2.17 113.55 114.61 1ubb h SER 159 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ubb h SER 159 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1ubb h SER 159 CO 0.56 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.71 1ubb n SER 160 N -2.78 0.31 0.00 3.07 3.41 -1.26 -4.90 113.62 111.47 1ubb n SER 160 Ca -0.01 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1ubb n SER 160 Cb 0.15 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1ubb n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubb n GLY 161 N -0.53 2.40 3.63 5.00 0.00 -0.81 -5.06 105.19 109.82 1ubb n GLY 161 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 1ubb n GLY 161 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ubb n GLU 162 N -1.93 1.66 0.00 1.61 4.71 -1.26 -1.18 120.64 124.24 1ubb n GLU 162 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 1ubb n GLU 162 Cb 0.00 -2.20 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 1ubb n GLU 162 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ubb n GLY 163 N 2.27 2.55 0.81 0.62 0.00 -1.26 -4.64 105.19 105.55 1ubb n GLY 163 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1ubb n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ubb n LEU 164 N 0.00 2.01 -0.08 0.99 4.77 -0.33 -4.81 117.00 119.55 1ubb n LEU 164 Ca 0.00 -3.09 0.07 0.00 -0.03 0.00 0.00 56.01 52.96 1ubb n LEU 164 Cb 0.00 -0.33 0.43 0.00 -2.33 0.00 0.00 43.42 41.19 1ubb n LEU 164 CO 0.00 1.00 1.19 0.00 -1.33 0.00 0.00 177.39 178.25 1ubb h ALA 165 N 0.84 1.81 -0.86 -1.18 0.00 -1.82 -1.84 119.26 116.21 1ubb h ALA 165 Ca -0.07 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1ubb h ALA 165 Cb 1.29 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1ubb h ALA 165 CO 0.03 0.11 0.50 0.35 0.00 0.00 0.00 179.25 180.24 1ubb h PHE 166 N 0.57 0.89 -0.13 0.00 3.57 -1.88 -0.78 116.94 119.18 1ubb h PHE 166 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1ubb h PHE 166 Cb 0.22 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1ubb h PHE 166 CO -0.00 0.35 0.00 1.19 -2.23 0.00 0.00 178.31 177.61 1ubb n PHE 167 N -4.74 0.17 -4.20 0.41 3.72 -0.70 -4.80 117.46 107.34 1ubb n PHE 167 Ca 0.15 -0.09 -0.34 0.00 -0.05 0.00 0.00 57.45 57.13 1ubb n PHE 167 Cb 0.31 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.70 1ubb n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ubb s THR 168 N -1.83 2.60 -0.75 4.37 2.01 -0.30 -4.88 115.64 116.86 1ubb s THR 168 Ca 0.14 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 1ubb s THR 168 Cb 0.07 -2.12 0.19 0.00 0.01 0.00 0.00 72.50 70.64 1ubb s THR 168 CO 0.10 0.50 0.59 -0.36 -0.69 0.00 0.00 174.62 174.76 1ubb s PHE 169 N 1.19 3.62 0.25 4.92 0.40 -1.26 -4.93 117.98 122.17 1ubb s PHE 169 Ca 0.02 -2.87 0.36 0.00 -0.60 0.00 0.00 56.93 53.84 1ubb s PHE 169 Cb -0.14 -3.20 1.72 0.00 0.51 0.00 0.00 43.02 41.91 1ubb s PHE 169 CO -0.06 -0.78 2.09 -1.00 0.70 0.00 0.00 175.22 176.16 1ubb h PRO 170 N 6.52 0.00 -0.25 0.24 0.13 -1.94 -2.53 132.00 134.17 1ubb h PRO 170 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1ubb h PRO 170 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ubb h PRO 170 CO 0.77 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.97 1ubb n SER 171 N -2.97 2.54 -4.06 1.44 7.64 -1.26 -4.76 113.62 112.19 1ubb n SER 171 Ca -0.01 -1.85 -0.32 0.00 1.01 0.00 0.00 58.87 57.70 1ubb n SER 171 Cb 0.20 -0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 63.09 1ubb n SER 171 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ubb s ILE 172 N -1.68 2.07 -0.01 0.44 1.01 -0.95 -4.81 121.20 117.25 1ubb s ILE 172 Ca 0.35 -1.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 1ubb s ILE 172 Cb 0.20 -2.17 -0.22 0.00 0.01 0.00 0.00 42.46 40.29 1ubb s ILE 172 CO 0.29 0.02 1.12 0.44 0.00 0.00 0.00 174.94 176.81 1ubb h ASP 173 N 7.81 0.36 -3.55 3.58 3.32 -1.85 -3.42 116.42 122.67 1ubb h ASP 173 Ca -0.22 -0.71 -0.62 0.00 0.02 0.00 0.00 57.03 55.51 1ubb h ASP 173 Cb 1.05 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.09 1ubb h ASP 173 CO 0.47 1.02 -0.72 0.21 -1.72 0.00 0.00 179.24 178.49 1ubb s ASN 174 N -6.42 4.21 0.49 6.45 3.84 -1.26 -4.99 114.94 117.26 1ubb s ASN 174 Ca -0.15 -2.20 0.22 0.00 0.21 0.00 0.00 52.86 50.94 1ubb s ASN 174 Cb 0.03 -1.24 1.27 0.00 -0.55 0.00 0.00 41.25 40.76 1ubb s ASN 174 CO 0.77 -0.35 1.97 1.55 -2.79 0.00 0.00 177.10 178.26 1ubb h PRO 175 N 7.43 0.15 -0.30 0.43 0.13 -1.94 0.74 132.00 138.63 1ubb h PRO 175 Ca -0.07 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 1ubb h PRO 175 Cb 0.98 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1ubb h PRO 175 CO 0.52 0.10 -0.03 1.15 -0.23 0.00 0.00 178.00 179.50 1ubb h THR 176 N 0.15 1.27 -0.33 1.56 2.02 -1.94 -0.54 112.91 115.11 1ubb h THR 176 Ca 0.29 -1.03 -0.14 0.00 0.77 0.00 0.00 66.41 66.30 1ubb h THR 176 Cb 0.92 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1ubb h THR 176 CO -0.04 0.33 -0.37 0.11 0.37 0.00 0.00 175.52 175.92 1ubb h LYS 177 N 0.33 0.76 -0.48 6.66 6.56 -1.67 -2.71 116.57 126.02 1ubb h LYS 177 Ca 0.08 -0.38 -0.04 0.00 -1.06 0.00 0.00 60.65 59.26 1ubb h LYS 177 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 1ubb h LYS 177 CO 0.02 1.00 0.16 0.35 -2.06 0.00 0.00 179.45 178.92 1ubb h PHE 178 N 0.63 0.76 -0.93 -1.35 3.57 -0.73 -1.38 116.94 117.51 1ubb h PHE 178 Ca 0.06 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ubb h PHE 178 Cb 0.91 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1ubb h PHE 178 CO 0.05 0.66 0.61 0.87 -2.23 0.00 0.00 178.31 178.28 1ubb h LYS 179 N 0.64 1.18 -0.15 1.11 1.57 -1.04 0.20 116.57 120.08 1ubb h LYS 179 Ca 0.16 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ubb h LYS 179 Cb 0.25 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ubb h LYS 179 CO -0.01 0.78 0.10 1.96 -0.57 0.00 0.00 179.45 181.71 1ubb h GLN 180 N 1.21 0.19 -0.53 3.15 4.20 -1.13 0.14 115.11 122.35 1ubb h GLN 180 Ca 0.36 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.10 1ubb h GLN 180 Cb -0.06 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1ubb h GLN 180 CO -0.09 0.13 0.28 1.25 -0.67 0.00 0.00 178.83 179.72 1ubb h LEU 181 N 0.20 0.42 -0.71 1.46 5.85 -0.17 -1.69 115.31 120.66 1ubb h LEU 181 Ca 0.06 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1ubb h LEU 181 Cb -0.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1ubb h LEU 181 CO -0.02 0.29 0.25 0.22 -0.34 0.00 0.00 178.44 178.84 1ubb h TYR 182 N 0.55 1.12 -0.36 1.25 5.03 -0.11 0.25 116.97 124.70 1ubb h TYR 182 Ca 0.23 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 1ubb h TYR 182 Cb 0.11 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.05 1ubb h TYR 182 CO -0.09 0.88 0.09 0.00 -1.32 0.00 0.00 178.16 177.72 1ubb h ARG 183 N 1.04 0.58 -0.68 1.82 3.08 -0.39 -0.17 114.38 119.66 1ubb h ARG 183 Ca 0.23 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1ubb h ARG 183 Cb 0.26 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1ubb h ARG 183 CO -0.01 0.62 0.20 0.00 -1.07 0.00 0.00 179.97 179.71 1ubb h ALA 184 N 0.94 1.06 -0.33 0.04 0.00 -1.13 -2.22 119.26 117.61 1ubb h ALA 184 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ubb h ALA 184 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ubb h ALA 184 CO 0.00 0.63 -0.14 -0.09 0.00 0.00 0.00 179.25 179.65 1ubb h ARG 185 N 1.02 0.59 -0.26 0.00 9.65 -0.61 -1.89 114.38 122.87 1ubb h ARG 185 Ca 0.22 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1ubb h ARG 185 Cb 0.31 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1ubb h ARG 185 CO -0.01 0.71 0.06 0.52 2.80 0.00 0.00 179.97 184.05 1ubb h MET 186 N 0.54 0.37 0.00 0.20 2.86 -0.45 -1.87 114.93 116.58 1ubb h MET 186 Ca 0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ubb h MET 186 Cb 0.55 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1ubb h MET 186 CO 0.03 0.35 0.00 0.09 1.06 0.00 0.00 176.91 178.45 1ubb n ASN 187 N -4.38 0.00 -0.00 1.22 3.02 -0.72 -2.75 115.26 111.65 1ubb n ASN 187 Ca 0.01 -1.13 0.09 0.00 -0.03 0.00 0.00 54.58 53.52 1ubb n ASN 187 Cb 0.16 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 1ubb n ASN 187 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ubb n THR 188 N -0.86 0.00 -1.82 3.41 -2.24 -0.70 -4.93 114.28 107.14 1ubb n THR 188 Ca 0.15 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1ubb n THR 188 Cb 0.07 0.90 0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1ubb n THR 188 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ubb s LEU 189 N -3.06 3.85 0.12 3.22 1.43 -1.11 -4.89 118.68 118.25 1ubb s LEU 189 Ca 0.06 2.72 -0.31 0.00 -1.03 0.00 0.00 54.13 55.57 1ubb s LEU 189 Cb 0.14 -4.29 -0.10 0.00 0.03 0.00 0.00 46.19 41.98 1ubb s LEU 189 CO 0.79 -1.54 1.73 -0.70 0.23 0.00 0.00 176.35 176.87 1ubb s GLU 190 N -2.91 4.16 -0.04 1.70 2.12 -1.26 -4.96 118.70 117.51 1ubb s GLU 190 Ca 0.71 2.49 0.01 0.00 0.36 0.00 0.00 54.97 58.54 1ubb s GLU 190 Cb -0.39 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.55 1ubb s GLU 190 CO 0.46 -0.77 -0.03 1.41 -0.54 0.00 0.00 175.26 175.79 1ubb s MET 191 N 2.30 0.65 0.33 4.30 1.75 -1.26 -5.01 119.30 122.36 1ubb s MET 191 Ca 0.77 -0.04 0.07 0.00 -1.25 0.00 0.00 55.69 55.24 1ubb s MET 191 Cb -0.44 -0.73 -0.06 0.00 2.84 0.00 0.00 34.83 36.43 1ubb s MET 191 CO 0.34 -0.11 -0.05 0.95 -0.65 0.00 0.00 175.02 175.51 1ubb s THR 192 N 0.99 1.84 0.23 10.11 -4.23 -1.26 -4.99 115.64 118.33 1ubb s THR 192 Ca -0.10 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.22 1ubb s THR 192 Cb -0.14 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 71.24 1ubb s THR 192 CO -0.01 -0.19 1.82 -0.65 -0.54 0.00 0.00 174.62 175.06 1ubb h PRO 193 N 2.10 0.78 -0.31 3.99 0.11 -2.00 -0.38 132.00 136.29 1ubb h PRO 193 Ca -0.41 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1ubb h PRO 193 Cb 1.24 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1ubb h PRO 193 CO 0.71 0.52 0.02 1.49 -0.21 0.00 0.00 178.00 180.53 1ubb h GLU 194 N 0.80 0.12 -0.30 1.05 4.22 -1.99 -0.73 114.58 117.75 1ubb h GLU 194 Ca 0.35 -0.01 -0.18 0.00 0.08 0.00 0.00 59.36 59.60 1ubb h GLU 194 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ubb h GLU 194 CO -0.19 0.08 -0.53 0.28 -2.18 0.00 0.00 179.01 176.47 1ubb h VAL 195 N 0.12 1.27 -0.60 0.32 2.07 -1.87 -2.60 116.25 114.96 1ubb h VAL 195 Ca 0.15 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 1ubb h VAL 195 Cb 0.18 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1ubb h VAL 195 CO -0.22 0.56 0.15 0.50 0.02 0.00 0.00 177.57 178.58 1ubb h LYS 196 N 0.67 0.96 -0.01 1.57 3.64 -0.85 0.60 116.57 123.15 1ubb h LYS 196 Ca 0.02 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ubb h LYS 196 Cb 1.14 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ubb h LYS 196 CO 0.12 0.88 0.00 1.25 -2.27 0.00 0.00 179.45 179.43 1ubb h HIS 197 N 0.87 0.02 -0.57 1.91 2.76 -1.16 -2.36 115.15 116.62 1ubb h HIS 197 Ca 0.19 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1ubb h HIS 197 Cb 0.34 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1ubb h HIS 197 CO 0.02 0.14 0.03 0.00 -1.30 0.00 0.00 177.93 176.83 1ubb h ARG 198 N -0.11 0.99 -0.30 5.26 3.08 -1.34 -2.17 114.38 119.78 1ubb h ARG 198 Ca 0.00 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.78 1ubb h ARG 198 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1ubb h ARG 198 CO -0.00 0.97 0.15 0.28 -1.07 0.00 0.00 179.97 180.29 1ubb h VAL 199 N 0.88 0.98 -0.08 2.04 2.07 -0.83 0.18 116.25 121.48 1ubb h VAL 199 Ca 0.17 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1ubb h VAL 199 Cb 0.50 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1ubb h VAL 199 CO 0.02 0.06 -0.28 0.71 0.02 0.00 0.00 177.57 178.10 1ubb h THR 200 N 0.31 1.24 -0.39 2.57 1.35 -1.36 -1.70 112.91 114.92 1ubb h THR 200 Ca 0.13 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.75 1ubb h THR 200 Cb 0.05 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1ubb h THR 200 CO -0.09 0.33 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.21 1ubb h GLU 201 N 0.14 0.84 0.00 4.72 4.57 -0.66 -2.78 114.58 121.40 1ubb h GLU 201 Ca 0.02 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 57.75 1ubb h GLU 201 Cb 0.58 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1ubb h GLU 201 CO 0.04 1.02 -0.32 1.49 -1.18 0.00 0.00 179.01 180.06 1ubb h GLU 202 N 0.65 0.00 -0.54 1.92 4.57 -0.23 -2.44 114.58 118.50 1ubb h GLU 202 Ca 0.08 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 1ubb h GLU 202 Cb 0.79 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1ubb h GLU 202 CO 0.06 0.32 -0.08 0.00 -1.18 0.00 0.00 179.01 178.13 1ubb h ALA 203 N 1.68 0.84 -0.71 2.92 0.00 -1.10 0.56 119.26 123.44 1ubb h ALA 203 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1ubb h ALA 203 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ubb h ALA 203 CO 0.04 0.66 0.28 0.87 0.00 0.00 0.00 179.25 181.10 1ubb h LYS 204 N 0.89 1.07 -0.61 0.00 1.57 -1.20 -1.05 116.57 117.24 1ubb h LYS 204 Ca 0.15 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1ubb h LYS 204 Cb 0.63 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1ubb h LYS 204 CO 0.04 0.88 0.32 1.15 -0.57 0.00 0.00 179.45 181.27 1ubb h THR 205 N 1.02 1.20 -0.40 -0.16 2.02 -1.00 -0.69 112.91 114.92 1ubb h THR 205 Ca 0.24 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.91 1ubb h THR 205 Cb 0.21 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1ubb h THR 205 CO -0.02 0.23 0.18 0.00 0.37 0.00 0.00 175.52 176.28 1ubb h ALA 206 N 1.14 0.48 -0.70 6.16 0.00 -0.23 0.43 119.26 126.54 1ubb h ALA 206 Ca 0.21 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ubb h ALA 206 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ubb h ALA 206 CO -0.03 -0.19 0.45 0.74 0.00 0.00 0.00 179.25 180.22 1ubb h PHE 207 N 0.37 0.85 -0.43 0.00 -1.00 -0.71 -2.00 116.94 114.03 1ubb h PHE 207 Ca 0.17 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1ubb h PHE 207 Cb 0.10 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1ubb h PHE 207 CO -0.11 0.51 0.21 1.25 -1.61 0.00 0.00 178.31 178.56 1ubb h LEU 208 N 0.91 0.57 -1.25 1.54 5.85 -0.34 0.14 115.31 122.72 1ubb h LEU 208 Ca 0.27 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1ubb h LEU 208 Cb -0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1ubb h LEU 208 CO -0.08 0.53 0.56 -0.07 -0.34 0.00 0.00 178.44 179.04 1ubb h LEU 209 N 0.56 0.74 -0.23 2.25 3.38 -0.58 0.31 115.31 121.74 1ubb h LEU 209 Ca 0.15 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ubb h LEU 209 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ubb h LEU 209 CO -0.02 0.44 -0.18 0.78 0.09 0.00 0.00 178.44 179.55 1ubb h ASN 210 N 0.82 0.56 -0.79 -0.43 2.35 -0.57 -1.54 115.58 115.98 1ubb h ASN 210 Ca 0.40 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1ubb h ASN 210 Cb 0.44 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 1ubb h ASN 210 CO -0.17 0.89 0.50 0.40 -1.65 0.00 0.00 177.43 177.41 1ubb h ILE 211 N 0.24 1.21 -0.10 2.81 2.04 0.78 -1.45 117.51 123.05 1ubb h ILE 211 Ca 0.04 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1ubb h ILE 211 Cb 0.71 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1ubb h ILE 211 CO 0.05 0.21 -0.29 -0.33 0.00 0.00 0.00 178.15 177.79 1ubb h GLU 212 N 1.07 0.18 -0.29 2.37 5.08 -0.35 -1.03 114.58 121.60 1ubb h GLU 212 Ca 0.29 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1ubb h GLU 212 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ubb h GLU 212 CO -0.06 0.46 -0.02 1.25 -1.00 0.00 0.00 179.01 179.64 1ubb h LEU 213 N 0.16 0.52 -0.61 1.33 5.85 -0.52 -1.38 115.31 120.66 1ubb h LEU 213 Ca 0.02 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1ubb h LEU 213 Cb 0.60 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ubb h LEU 213 CO 0.04 0.72 0.28 -0.26 -0.34 0.00 0.00 178.44 178.89 1ubb h PHE 214 N 0.31 0.89 -0.72 1.25 0.04 -0.86 0.71 116.94 118.57 1ubb h PHE 214 Ca 0.08 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1ubb h PHE 214 Cb 0.46 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1ubb h PHE 214 CO 0.04 0.68 0.18 0.93 -0.60 0.00 0.00 178.31 179.54 1ubb h GLU 215 N 0.84 1.15 -0.08 1.51 5.08 -1.13 0.06 114.58 122.01 1ubb h GLU 215 Ca 0.21 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ubb h GLU 215 Cb 0.14 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ubb h GLU 215 CO -0.02 1.01 0.03 1.49 -1.00 0.00 0.00 179.01 180.51 1ubb h GLU 216 N 1.09 0.12 -0.77 2.33 4.81 -0.84 -2.06 114.58 119.26 1ubb h GLU 216 Ca 0.23 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1ubb h GLU 216 Cb 0.37 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1ubb h GLU 216 CO 0.00 0.27 0.42 -0.07 -0.73 0.00 0.00 179.01 178.90 1ubb h LEU 217 N -0.06 0.96 -0.82 1.64 3.38 -0.67 -1.03 115.31 118.72 1ubb h LEU 217 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ubb h LEU 217 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1ubb h LEU 217 CO -0.00 0.79 0.54 -0.61 0.09 0.00 0.00 178.44 179.24 1ubb h GLN 218 N 1.07 1.04 -0.44 1.13 5.75 -0.87 -1.67 115.11 121.12 1ubb h GLN 218 Ca 0.27 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1ubb h GLN 218 Cb 0.04 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1ubb h GLN 218 CO -0.04 0.69 0.12 0.00 -2.65 0.00 0.00 178.83 176.94 1ubb h ALA 219 N 1.32 0.58 -0.34 3.38 0.00 -0.81 -2.48 119.26 120.91 1ubb h ALA 219 Ca 0.31 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ubb h ALA 219 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ubb h ALA 219 CO -0.09 0.26 0.23 -0.07 0.00 0.00 0.00 179.25 179.58 1ubb h LEU 220 N 0.58 0.24 0.00 0.00 3.38 -0.59 -0.96 115.31 117.96 1ubb h LEU 220 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ubb h LEU 220 Cb 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ubb h LEU 220 CO 0.00 0.16 -0.02 -0.07 0.09 0.00 0.00 178.44 178.60 1ubb h LEU 221 N 0.27 0.00 -1.10 1.67 3.38 -0.89 -3.51 115.31 115.12 1ubb h LEU 221 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ubb h LEU 221 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ubb h LEU 221 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85