#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uub s ARG 3 N 0.00 3.59 0.21 0.54 0.52 -1.26 -5.10 118.95 117.45 2uub s ARG 3 Ca 0.00 0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 55.84 2uub s ARG 3 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2uub s ARG 3 CO 0.00 -0.49 0.15 0.45 0.02 0.00 0.00 175.30 175.43 2uub s SER 4 N -4.16 0.30 0.00 0.23 0.15 -1.26 -5.04 113.70 103.93 2uub s SER 4 Ca 0.53 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2uub s SER 4 Cb -0.11 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2uub s SER 4 CO 0.52 -0.86 0.00 0.18 1.20 0.00 0.00 173.24 174.28 2uub n LEU 5 N -0.31 -0.03 0.00 3.45 4.77 -1.26 -5.14 117.00 118.48 2uub n LEU 5 Ca 0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2uub n LEU 5 Cb 0.66 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2uub n LEU 5 CO 0.33 -0.09 0.00 1.17 -1.33 0.00 0.00 177.39 177.47 2uub n LYS 6 N -1.75 0.00 -3.15 3.23 4.81 -1.26 -4.97 118.16 115.07 2uub n LYS 6 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2uub n LYS 6 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2uub n LYS 6 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2uub s LYS 7 N 0.00 0.56 0.00 1.64 -2.85 -1.26 -4.99 119.74 112.85 2uub s LYS 7 Ca 0.00 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 2uub s LYS 7 Cb 0.00 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2uub s LYS 7 CO 0.00 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.18 2uub n GLY 8 N 5.43 0.79 1.71 0.59 0.00 -1.26 -5.01 105.19 107.43 2uub n GLY 8 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2uub n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uub n VAL 9 N 0.00 0.00 -1.95 1.61 0.31 -1.26 -4.75 118.33 112.28 2uub n VAL 9 Ca 0.00 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 2uub n VAL 9 Cb 0.00 -0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.69 2uub n VAL 9 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2uub s PHE 10 N 3.86 2.60 -0.07 3.52 0.08 -1.26 -4.94 117.98 121.76 2uub s PHE 10 Ca 0.66 0.43 -0.06 0.00 0.12 0.00 0.00 56.93 58.08 2uub s PHE 10 Cb -0.59 -3.93 0.02 0.00 -0.57 0.00 0.00 43.02 37.95 2uub s PHE 10 CO 0.24 -3.65 0.19 0.08 -0.10 0.00 0.00 175.22 171.99 2uub s VAL 11 N 2.29 -0.01 -0.05 -0.44 1.01 -1.26 -2.53 120.40 119.41 2uub s VAL 11 Ca 0.72 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 2uub s VAL 11 Cb -0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2uub s VAL 11 CO 0.32 0.01 1.15 -1.81 0.00 0.00 0.00 175.10 174.77 2uub s ASP 12 N 0.35 7.11 0.00 3.32 -0.00 -1.26 -4.91 116.67 121.28 2uub s ASP 12 Ca -0.02 1.77 0.12 0.00 -0.00 0.00 0.00 52.55 54.42 2uub s ASP 12 Cb -0.03 -2.56 0.67 0.00 -0.00 0.00 0.00 42.92 40.99 2uub s ASP 12 CO -0.01 -0.53 1.19 -0.90 -0.00 0.00 0.00 175.17 174.91 2uub n ASP 13 N 4.98 0.00 0.36 0.27 3.85 -1.26 -1.84 116.55 122.92 2uub n ASP 13 Ca 0.10 -0.21 -0.18 0.00 -0.71 0.00 0.00 54.79 53.79 2uub n ASP 13 Cb 0.47 -0.10 -0.09 0.00 -1.35 0.00 0.00 41.12 40.05 2uub n ASP 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 2uub h HIS 14 N 0.00 -1.14 0.00 2.11 3.86 -2.00 -3.16 115.15 114.81 2uub h HIS 14 Ca 0.00 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 2uub h HIS 14 Cb 0.04 0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2uub h HIS 14 CO 0.00 -0.64 -1.84 1.47 0.86 0.00 0.00 177.93 177.78 2uub n LEU 15 N -5.56 0.39 -0.34 2.43 -0.00 -1.17 -3.37 117.00 109.39 2uub n LEU 15 Ca -0.13 0.17 0.19 0.00 -0.00 0.00 0.00 56.01 56.23 2uub n LEU 15 Cb 0.44 0.18 0.42 0.00 -0.00 0.00 0.00 43.42 44.46 2uub n LEU 15 CO 0.34 0.20 1.19 0.25 -0.00 0.00 0.00 177.39 179.36 2uub h LEU 16 N 0.00 0.61 0.01 1.47 5.85 -1.43 2.11 115.31 123.91 2uub h LEU 16 Ca -0.23 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.32 2uub h LEU 16 Cb 1.62 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 2uub h LEU 16 CO 0.03 0.12 -1.61 1.05 -0.34 0.00 0.00 178.44 177.69 2uub h GLU 17 N 0.54 0.01 0.00 1.25 4.11 -1.72 -2.95 114.58 115.82 2uub h GLU 17 Ca 0.62 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2uub h GLU 17 Cb 1.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2uub h GLU 17 CO -0.40 0.59 0.00 1.17 0.07 0.00 0.00 179.01 180.44 2uub n LYS 18 N -3.11 0.27 -0.10 1.06 4.81 0.15 -1.72 118.16 119.52 2uub n LYS 18 Ca -0.15 0.08 -0.16 0.00 -0.87 0.00 0.00 58.31 57.22 2uub n LYS 18 Cb 1.04 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.50 2uub n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2uub n VAL 19 N -1.31 1.14 0.09 3.15 3.14 0.67 -4.20 118.33 121.00 2uub n VAL 19 Ca 0.10 -0.40 -0.05 0.00 -2.96 0.00 0.00 64.34 61.03 2uub n VAL 19 Cb 0.19 -1.35 0.09 0.00 -1.06 0.00 0.00 33.84 31.71 2uub n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2uub h LEU 20 N -0.20 0.20 0.00 6.55 8.10 -1.54 -2.41 115.31 126.01 2uub h LEU 20 Ca -0.47 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.39 2uub h LEU 20 Cb 1.63 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.79 2uub h LEU 20 CO -0.13 0.83 0.00 -0.62 -4.11 0.00 0.00 178.44 174.40 2uub n GLU 21 N -3.79 0.49 -0.14 0.17 1.02 -0.70 -1.34 120.64 116.35 2uub n GLU 21 Ca -0.02 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 2uub n GLU 21 Cb 0.68 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.75 2uub n GLU 21 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2uub n LEU 22 N -1.16 2.93 -0.12 -4.62 4.77 -0.91 -4.27 117.00 113.61 2uub n LEU 22 Ca 0.13 -1.50 -0.22 0.00 -0.03 0.00 0.00 56.01 54.39 2uub n LEU 22 Cb 0.13 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 2uub n LEU 22 CO 0.15 0.64 -1.32 0.59 -1.33 0.00 0.00 177.39 176.12 2uub n ASN 23 N 1.01 1.98 -0.29 -1.43 3.02 -0.45 -3.46 115.26 115.64 2uub n ASN 23 Ca 0.14 0.07 0.08 0.00 -0.03 0.00 0.00 54.58 54.84 2uub n ASN 23 Cb 0.48 -0.60 0.24 0.00 -0.61 0.00 0.00 39.78 39.28 2uub n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uub h ALA 24 N -0.36 1.29 -3.00 5.41 0.00 -1.73 -3.36 119.26 117.51 2uub h ALA 24 Ca -0.61 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2uub h ALA 24 Cb 1.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2uub h ALA 24 CO -0.20 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.53 2uub n LYS 25 N -4.92 0.00 0.00 0.00 5.02 -1.26 -5.11 118.16 111.90 2uub n LYS 25 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2uub n LYS 25 Cb 0.47 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2uub n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uub n GLY 26 N 3.89 2.54 2.68 0.72 0.00 -1.22 -5.10 105.19 108.70 2uub n GLY 26 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 2uub n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uub s GLU 27 N 1.91 0.94 -0.89 1.61 0.41 -1.24 -4.28 118.70 117.15 2uub s GLU 27 Ca 0.00 -1.29 -0.26 0.00 -0.41 0.00 0.00 54.97 53.01 2uub s GLU 27 Cb 0.00 -0.55 -0.14 0.00 -1.78 0.00 0.00 34.13 31.66 2uub s GLU 27 CO 0.00 -1.32 2.26 0.21 -0.49 0.00 0.00 175.26 175.92 2uub s LYS 28 N 0.78 1.67 0.00 1.61 2.20 -1.26 -4.88 119.74 119.85 2uub s LYS 28 Ca 0.28 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2uub s LYS 28 Cb -0.01 -4.89 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 2uub s LYS 28 CO -0.09 -4.53 0.00 -2.13 -0.36 0.00 0.00 175.35 168.23 2uub n ARG 29 N 8.65 0.00 -1.99 4.03 0.63 -1.26 -4.50 116.66 122.22 2uub n ARG 29 Ca 0.45 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.05 2uub n ARG 29 Cb 0.45 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.37 2uub n ARG 29 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2uub s LEU 30 N 0.00 3.48 -0.20 6.15 1.43 -1.25 -3.39 118.68 124.90 2uub s LEU 30 Ca 0.00 1.85 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 2uub s LEU 30 Cb 0.00 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.76 2uub s LEU 30 CO 0.00 -1.26 0.14 -0.63 0.23 0.00 0.00 176.35 174.83 2uub s ILE 31 N -2.43 -0.16 -0.16 -0.59 -1.09 -0.89 -4.96 121.20 110.93 2uub s ILE 31 Ca 0.64 -0.24 -0.29 0.00 -2.23 0.00 0.00 60.65 58.53 2uub s ILE 31 Cb -0.17 -0.67 -0.01 0.00 -1.58 0.00 0.00 42.46 40.03 2uub s ILE 31 CO 0.38 -0.32 1.24 -0.54 -1.23 0.00 0.00 174.94 174.47 2uub s LYS 32 N 2.19 4.24 0.15 2.79 -0.14 -1.26 -0.32 119.74 127.39 2uub s LYS 32 Ca 0.04 1.64 0.02 0.00 -1.36 0.00 0.00 55.97 56.32 2uub s LYS 32 Cb -0.16 -3.74 -0.05 0.00 -1.68 0.00 0.00 37.83 32.21 2uub s LYS 32 CO -0.14 -0.68 -0.03 0.99 -0.76 0.00 0.00 175.35 174.73 2uub s THR 33 N 3.36 0.77 0.00 2.17 2.01 -0.81 -4.97 115.64 118.18 2uub s THR 33 Ca 0.54 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.56 2uub s THR 33 Cb -0.22 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.31 2uub s THR 33 CO 0.15 -0.61 0.39 0.79 -0.69 0.00 0.00 174.62 174.65 2uub n TRP 34 N -0.20 0.00 -3.12 4.92 8.01 -1.26 -2.82 117.44 122.98 2uub n TRP 34 Ca -0.08 -0.06 -0.45 0.00 -1.31 0.00 0.00 57.50 55.59 2uub n TRP 34 Cb 0.62 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 29.89 2uub n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2uub s SER 35 N -0.13 6.71 0.16 -0.99 0.15 -1.26 -4.78 113.70 113.57 2uub s SER 35 Ca 0.00 -2.39 0.04 0.00 0.70 0.00 0.00 55.95 54.29 2uub s SER 35 Cb 0.00 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2uub s SER 35 CO 0.00 -0.82 1.38 0.03 1.20 0.00 0.00 173.24 175.03 2uub h ARG 36 N 8.27 0.15 0.00 5.44 3.08 -1.92 -3.23 114.38 126.17 2uub h ARG 36 Ca 0.14 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2uub h ARG 36 Cb 1.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2uub h ARG 36 CO 0.94 0.94 0.00 0.07 -1.07 0.00 0.00 179.97 180.85 2uub h ARG 37 N 0.08 0.00 -6.50 0.04 0.11 -1.97 -1.99 114.38 104.15 2uub h ARG 37 Ca -0.04 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.51 2uub h ARG 37 Cb 1.52 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.62 2uub h ARG 37 CO 0.13 0.00 0.77 -1.54 0.10 0.00 0.00 179.97 179.43 2uub s SER 38 N -4.60 6.81 -0.06 0.08 1.04 -1.22 -4.83 113.70 110.92 2uub s SER 38 Ca -0.00 2.29 -0.30 0.00 0.48 0.00 0.00 55.95 58.42 2uub s SER 38 Cb 0.09 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2uub s SER 38 CO 0.36 -0.69 1.24 -0.89 0.98 0.00 0.00 173.24 174.24 2uub s THR 39 N 1.52 4.18 0.27 2.02 2.01 -1.05 -2.21 115.64 122.38 2uub s THR 39 Ca 0.65 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 2uub s THR 39 Cb -0.36 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.07 2uub s THR 39 CO 0.29 -0.02 1.62 -0.63 -0.69 0.00 0.00 174.62 175.20 2uub s ILE 40 N 2.40 2.07 0.13 1.82 1.01 -0.42 -4.86 121.20 123.35 2uub s ILE 40 Ca 0.57 0.06 0.06 0.00 0.00 0.00 0.00 60.65 61.34 2uub s ILE 40 Cb -0.25 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2uub s ILE 40 CO 0.22 0.01 -0.14 0.68 0.00 0.00 0.00 174.94 175.70 2uub s VAL 41 N 0.26 1.38 0.18 2.92 -7.23 -1.26 -4.20 120.40 112.45 2uub s VAL 41 Ca 0.66 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.97 2uub s VAL 41 Cb -0.48 -1.59 0.24 0.00 0.56 0.00 0.00 36.38 35.12 2uub s VAL 41 CO 0.44 -0.43 1.11 -2.65 -0.31 0.00 0.00 175.10 173.26 2uub n PRO 42 N 0.45 -0.12 0.00 4.82 -0.02 -1.26 -1.06 135.00 137.81 2uub n PRO 42 Ca -0.15 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2uub n PRO 42 Cb 0.57 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2uub n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2uub n GLU 43 N -5.10 0.22 0.00 -0.52 0.00 -1.26 -0.89 120.64 113.09 2uub n GLU 43 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 2uub n GLU 43 Cb 0.32 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.44 2uub n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2uub n MET 44 N 0.77 2.63 -1.64 3.44 2.81 -0.23 -4.71 117.12 120.19 2uub n MET 44 Ca 0.00 0.00 -0.53 0.00 -1.81 0.00 0.00 57.70 55.36 2uub n MET 44 Cb 0.10 -0.72 -0.06 0.00 -0.71 0.00 0.00 33.22 31.82 2uub n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2uub n VAL 45 N -0.89 0.14 0.00 2.03 0.31 -0.07 0.18 118.33 120.03 2uub n VAL 45 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2uub n VAL 45 Cb 0.10 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2uub n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uub n GLY 46 N 3.29 3.30 3.92 2.92 0.00 -1.01 -5.05 105.19 112.55 2uub n GLY 46 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2uub n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uub s HIS 47 N -2.86 3.09 -0.35 1.61 4.02 0.13 -4.92 115.29 116.00 2uub s HIS 47 Ca 0.00 0.61 0.01 0.00 1.02 0.00 0.00 55.06 56.71 2uub s HIS 47 Cb 0.00 -3.05 0.11 0.00 -1.02 0.00 0.00 32.58 28.62 2uub s HIS 47 CO 0.00 -1.21 0.12 0.99 1.02 0.00 0.00 174.74 175.66 2uub s THR 48 N -3.20 1.48 -0.24 1.30 2.01 -1.22 -2.50 115.64 113.27 2uub s THR 48 Ca 0.58 -1.99 -0.14 0.00 0.31 0.00 0.00 61.69 60.45 2uub s THR 48 Cb -0.11 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2uub s THR 48 CO 0.46 -0.70 0.31 -0.63 -0.69 0.00 0.00 174.62 173.37 2uub s ILE 49 N 1.08 5.24 -0.62 1.82 1.01 -0.97 -2.08 121.20 126.67 2uub s ILE 49 Ca 0.12 0.48 -0.23 0.00 0.00 0.00 0.00 60.65 61.01 2uub s ILE 49 Cb -0.20 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.69 2uub s ILE 49 CO -0.14 0.25 0.96 0.00 0.00 0.00 0.00 174.94 176.01 2uub s ALA 50 N 1.52 3.12 -0.06 9.38 0.00 0.56 -0.54 121.76 135.74 2uub s ALA 50 Ca 0.14 -1.62 -0.22 0.00 0.00 0.00 0.00 51.96 50.26 2uub s ALA 50 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 2uub s ALA 50 CO 0.08 -2.65 0.63 0.08 0.00 0.00 0.00 175.76 173.89 2uub s VAL 51 N 4.07 5.03 0.12 0.00 1.01 -0.18 -1.92 120.40 128.52 2uub s VAL 51 Ca 0.25 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 2uub s VAL 51 Cb -0.15 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2uub s VAL 51 CO 0.13 0.31 1.09 -0.47 0.00 0.00 0.00 175.10 176.17 2uub s TYR 52 N 0.48 3.60 -2.38 5.22 5.04 -1.13 0.33 117.35 128.51 2uub s TYR 52 Ca 0.33 1.57 0.24 0.00 -2.44 0.00 0.00 57.07 56.77 2uub s TYR 52 Cb -0.17 -3.26 0.18 0.00 0.35 0.00 0.00 41.96 39.05 2uub s TYR 52 CO 0.16 -0.58 1.22 0.27 -1.34 0.00 0.00 175.55 175.29 2uub n ASN 53 N 3.01 2.27 0.00 4.32 0.23 0.40 -4.90 115.26 120.59 2uub n ASN 53 Ca 0.05 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 2uub n ASN 53 Cb 0.47 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 2uub n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uub n GLY 54 N 1.38 1.11 0.00 4.83 0.00 -1.26 -4.60 105.19 106.64 2uub n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2uub n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uub n LYS 55 N -0.30 0.00 -4.32 1.61 4.81 -1.26 -5.14 118.16 113.56 2uub n LYS 55 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2uub n LYS 55 Cb 0.00 -0.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.60 2uub n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2uub s GLN 56 N -1.00 1.41 -0.46 1.64 -0.21 -1.26 -5.11 119.66 114.67 2uub s GLN 56 Ca 0.00 -1.76 -0.06 0.00 0.02 0.00 0.00 55.36 53.56 2uub s GLN 56 Cb 0.00 -0.29 0.12 0.00 1.00 0.00 0.00 33.01 33.84 2uub s GLN 56 CO 0.00 -0.28 0.30 -1.01 -2.12 0.00 0.00 175.29 172.17 2uub s HIS 57 N -3.73 3.51 -0.30 0.91 3.76 -1.26 -0.45 115.29 117.73 2uub s HIS 57 Ca 0.37 -2.20 -0.24 0.00 -0.15 0.00 0.00 55.06 52.85 2uub s HIS 57 Cb 0.08 -3.36 -0.00 0.00 1.11 0.00 0.00 32.58 30.41 2uub s HIS 57 CO 0.13 -0.97 0.80 0.14 -0.85 0.00 0.00 174.74 173.99 2uub s VAL 58 N 1.12 4.79 0.13 -0.90 -7.23 0.15 -4.72 120.40 113.75 2uub s VAL 58 Ca 0.08 1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 61.17 2uub s VAL 58 Cb -0.24 -4.14 -0.10 0.00 0.56 0.00 0.00 36.38 32.45 2uub s VAL 58 CO -0.03 -0.23 1.80 -2.16 -0.31 0.00 0.00 175.10 174.17 2uub s PRO 59 N 2.95 4.14 -0.26 4.82 0.04 -1.26 -1.01 135.00 144.42 2uub s PRO 59 Ca 0.33 2.58 0.01 0.00 0.04 0.00 0.00 61.00 63.96 2uub s PRO 59 Cb -0.14 -3.51 0.07 0.00 0.04 0.00 0.00 34.50 30.96 2uub s PRO 59 CO 0.12 -0.82 -0.01 0.08 0.04 0.00 0.00 177.00 176.41 2uub s VAL 60 N 2.48 1.44 -0.41 -0.36 1.01 0.29 -4.92 120.40 119.93 2uub s VAL 60 Ca 0.80 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2uub s VAL 60 Cb -0.46 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2uub s VAL 60 CO 0.35 -0.27 1.11 -0.47 0.00 0.00 0.00 175.10 175.82 2uub s TYR 61 N 1.40 2.95 -0.03 5.22 5.04 -1.26 -2.30 117.35 128.37 2uub s TYR 61 Ca -0.01 0.91 -0.30 0.00 -2.44 0.00 0.00 57.07 55.23 2uub s TYR 61 Cb -0.18 -4.13 -0.03 0.00 0.35 0.00 0.00 41.96 37.97 2uub s TYR 61 CO -0.10 -1.06 1.12 -1.50 -1.34 0.00 0.00 175.55 172.67 2uub s ILE 62 N 4.12 4.44 0.27 3.14 2.07 -1.04 -5.03 121.20 129.17 2uub s ILE 62 Ca 0.47 1.75 0.03 0.00 -1.41 0.00 0.00 60.65 61.48 2uub s ILE 62 Cb -0.09 -4.12 0.03 0.00 0.13 0.00 0.00 42.46 38.40 2uub s ILE 62 CO 0.25 0.05 0.24 0.35 -1.91 0.00 0.00 174.94 173.92 2uub n THR 63 N 4.34 0.00 -0.04 4.00 -2.24 -1.26 -2.41 114.28 116.67 2uub n THR 63 Ca 0.09 -1.02 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 2uub n THR 63 Cb 0.48 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 2uub n THR 63 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2uub h GLU 64 N 0.00 0.23 0.00 -0.78 4.57 -1.99 -3.13 114.58 113.49 2uub h GLU 64 Ca -0.16 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2uub h GLU 64 Cb 0.61 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2uub h GLU 64 CO 0.25 0.68 0.00 0.27 -1.18 0.00 0.00 179.01 179.02 2uub n ASN 65 N -4.64 0.00 -0.05 1.04 0.23 -1.26 -2.83 115.26 107.75 2uub n ASN 65 Ca -0.07 -0.82 -0.07 0.00 -0.53 0.00 0.00 54.58 53.08 2uub n ASN 65 Cb 0.34 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.90 2uub n ASN 65 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2uub n MET 66 N -0.72 0.65 0.00 -3.83 2.81 -1.18 -4.82 117.12 110.03 2uub n MET 66 Ca 0.06 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2uub n MET 66 Cb 0.03 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 2uub n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2uub n VAL 67 N -2.87 0.00 0.13 2.03 0.31 -1.13 -0.79 118.33 116.01 2uub n VAL 67 Ca -0.22 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.31 2uub n VAL 67 Cb 1.05 0.00 0.73 0.00 -0.91 0.00 0.00 33.84 34.71 2uub n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2uub h GLY 68 N 0.00 0.00 -1.52 2.92 0.00 -1.88 -3.27 103.07 99.33 2uub h GLY 68 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2uub h GLY 68 CO 0.00 0.00 0.37 0.30 0.00 0.00 0.00 176.54 177.21 2uub s HIS 69 N -4.48 3.05 0.57 5.60 3.76 0.03 -4.68 115.29 119.13 2uub s HIS 69 Ca -0.04 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.22 2uub s HIS 69 Cb 0.14 -2.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 2uub s HIS 69 CO 0.47 -1.18 0.98 0.15 -0.85 0.00 0.00 174.74 174.32 2uub s LYS 70 N -4.60 3.71 0.35 1.40 3.01 -1.26 -1.29 119.74 121.06 2uub s LYS 70 Ca 0.61 0.75 0.09 0.00 -1.01 0.00 0.00 55.97 56.40 2uub s LYS 70 Cb -0.15 -2.14 0.67 0.00 -1.01 0.00 0.00 37.83 35.20 2uub s LYS 70 CO 0.47 -0.42 1.84 -0.07 0.51 0.00 0.00 175.35 177.67 2uub h LEU 71 N 0.18 0.23 -1.07 3.17 3.38 -1.11 -2.91 115.31 117.18 2uub h LEU 71 Ca -0.45 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.47 2uub h LEU 71 Cb 1.19 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2uub h LEU 71 CO 0.62 0.47 0.63 1.23 0.09 0.00 0.00 178.44 181.48 2uub h GLY 72 N 0.92 1.35 1.19 0.83 0.00 -1.67 -2.49 103.07 103.20 2uub h GLY 72 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2uub h GLY 72 CO 0.04 0.47 0.24 1.18 0.00 0.00 0.00 176.54 178.46 2uub n GLU 73 N -4.40 0.03 -0.01 4.80 1.02 -1.10 0.27 120.64 121.25 2uub n GLU 73 Ca 0.12 0.40 0.04 0.00 -0.02 0.00 0.00 57.16 57.69 2uub n GLU 73 Cb 0.04 -1.84 0.04 0.00 -0.02 0.00 0.00 31.44 29.65 2uub n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2uub n PHE 74 N -1.57 0.04 -3.66 -0.32 3.01 -0.94 -4.74 117.46 109.28 2uub n PHE 74 Ca -0.00 -0.06 -0.27 0.00 1.01 0.00 0.00 57.45 58.13 2uub n PHE 74 Cb 0.25 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.61 2uub n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uub n ALA 75 N 0.39 3.44 -1.70 4.37 0.00 0.14 -4.98 120.51 122.17 2uub n ALA 75 Ca 0.05 -4.31 -0.40 0.00 0.00 0.00 0.00 53.44 48.78 2uub n ALA 75 Cb 0.21 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.74 2uub n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2uub n PRO 76 N 1.76 1.74 0.00 0.00 -0.04 -1.26 -4.77 135.00 132.44 2uub n PRO 76 Ca 0.24 0.63 0.01 0.00 -0.04 0.00 0.00 63.50 64.34 2uub n PRO 76 Cb 0.40 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 2uub n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2uub n THR 77 N -0.57 0.97 -4.04 0.52 -2.24 -1.26 -4.83 114.28 102.84 2uub n THR 77 Ca 0.08 -0.68 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 2uub n THR 77 Cb 0.42 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 2uub n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2uub s ARG 78 N -2.98 3.14 -0.19 -0.78 0.52 -1.26 -4.96 118.95 112.45 2uub s ARG 78 Ca -0.05 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2uub s ARG 78 Cb 0.09 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.82 2uub s ARG 78 CO 0.83 0.46 -0.14 0.99 0.02 0.00 0.00 175.30 177.46 2uub s THR 79 N -1.91 2.65 0.02 0.02 2.01 -1.26 -5.12 115.64 112.06 2uub s THR 79 Ca 0.33 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.66 2uub s THR 79 Cb -0.09 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2uub s THR 79 CO 0.26 0.50 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.98 2uub s TYR 80 N 1.22 2.39 0.00 4.92 5.04 -1.26 -5.01 117.35 124.65 2uub s TYR 80 Ca 0.02 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 2uub s TYR 80 Cb -0.14 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.72 2uub s TYR 80 CO -0.06 0.11 0.21 -2.13 -1.34 0.00 0.00 175.55 172.34 2uub n ARG 81 N 1.94 0.00 0.00 4.97 0.63 -1.26 -5.33 116.66 117.61 2uub n ARG 81 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2uub n ARG 81 Cb 0.52 -0.26 0.00 0.00 0.45 0.00 0.00 32.46 33.17 2uub n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53