#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2u n LYS 3 N 0.00 0.16 -3.99 1.97 2.85 -1.26 -4.74 118.16 113.15 1b2u n LYS 3 Ca 0.00 -0.44 -0.34 0.00 -1.05 0.00 0.00 58.31 56.48 1b2u n LYS 3 Cb 0.00 0.48 -0.15 0.00 -0.65 0.00 0.00 35.03 34.71 1b2u n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b2u s ALA 4 N -1.46 2.61 -0.22 0.58 0.00 -1.04 -5.05 121.76 117.18 1b2u s ALA 4 Ca 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1b2u s ALA 4 Cb -0.01 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 1b2u s ALA 4 CO 0.03 -0.40 -0.05 0.08 0.00 0.00 0.00 175.76 175.42 1b2u s VAL 5 N 1.40 3.27 -0.45 0.00 1.01 -1.26 0.02 120.40 124.38 1b2u s VAL 5 Ca 0.05 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1b2u s VAL 5 Cb -0.14 -2.51 0.11 0.00 0.00 0.00 0.00 36.38 33.85 1b2u s VAL 5 CO -0.07 0.39 0.31 -0.63 0.00 0.00 0.00 175.10 175.10 1b2u s ILE 6 N 1.45 4.09 -0.84 2.22 -1.09 0.16 -4.99 121.20 122.22 1b2u s ILE 6 Ca 0.05 -1.75 -0.23 0.00 -2.23 0.00 0.00 60.65 56.48 1b2u s ILE 6 Cb -0.15 -3.68 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1b2u s ILE 6 CO -0.04 -0.72 1.23 0.21 -1.23 0.00 0.00 174.94 174.40 1b2u s ASN 7 N 2.48 6.34 0.00 3.58 3.84 -1.26 -2.42 114.94 127.50 1b2u s ASN 7 Ca 0.05 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 51.98 1b2u s ASN 7 Cb -0.25 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 1b2u s ASN 7 CO -0.01 -1.52 0.43 0.61 -2.79 0.00 0.00 177.10 173.82 1b2u n GLY 8 N 5.84 0.00 0.03 1.21 0.00 -0.19 -0.88 105.19 111.20 1b2u n GLY 8 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1b2u n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b2u n GLU 9 N -0.93 1.18 0.07 1.61 4.07 -1.26 -4.25 120.64 121.12 1b2u n GLU 9 Ca 0.00 -0.06 0.12 0.00 -0.06 0.00 0.00 57.16 57.15 1b2u n GLU 9 Cb 0.00 -1.28 0.09 0.00 -0.06 0.00 0.00 31.44 30.19 1b2u n GLU 9 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1b2u h GLN 10 N 0.00 0.00 -6.52 5.31 4.15 -1.39 -3.45 115.11 113.21 1b2u h GLN 10 Ca -0.13 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.72 1b2u h GLN 10 Cb 1.04 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 1b2u h GLN 10 CO 0.01 0.00 0.87 0.42 -1.93 0.00 0.00 178.83 178.20 1b2u s ILE 11 N -3.23 4.34 -0.00 2.39 -1.09 -1.08 -4.87 121.20 117.66 1b2u s ILE 11 Ca 0.04 1.40 0.05 0.00 -2.23 0.00 0.00 60.65 59.90 1b2u s ILE 11 Cb 0.13 -4.52 -0.24 0.00 -1.58 0.00 0.00 42.46 36.24 1b2u s ILE 11 CO 0.76 -0.79 0.82 0.03 -1.23 0.00 0.00 174.94 174.52 1b2u h ARG 12 N 8.78 0.10 -4.05 2.79 3.08 -1.91 -3.49 114.38 119.68 1b2u h ARG 12 Ca -0.22 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 1b2u h ARG 12 Cb 1.06 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 31.05 1b2u h ARG 12 CO 1.08 0.85 -0.41 -1.54 -1.07 0.00 0.00 179.97 178.89 1b2u s SER 13 N -6.58 0.10 0.37 7.04 1.04 -1.26 -5.03 113.70 109.38 1b2u s SER 13 Ca -0.07 -1.00 0.06 0.00 0.48 0.00 0.00 55.95 55.43 1b2u s SER 13 Cb 0.08 0.41 0.75 0.00 0.10 0.00 0.00 66.02 67.36 1b2u s SER 13 CO 0.83 -0.87 1.97 -0.29 0.98 0.00 0.00 173.24 175.86 1b2u h ILE 14 N 2.60 1.03 -0.52 -1.02 6.09 -1.97 -1.18 117.51 122.55 1b2u h ILE 14 Ca -0.32 -0.25 -0.05 0.00 -1.37 0.00 0.00 64.86 62.86 1b2u h ILE 14 Cb 1.22 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1b2u h ILE 14 CO 0.50 0.14 0.12 0.28 -3.07 0.00 0.00 178.15 176.12 1b2u h SER 15 N 0.74 0.79 -0.38 2.19 0.02 -1.96 -0.65 113.55 114.31 1b2u h SER 15 Ca 0.30 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1b2u h SER 15 Cb 0.22 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1b2u h SER 15 CO -0.09 0.83 0.08 0.44 -1.14 0.00 0.00 176.83 176.94 1b2u h ASP 16 N 0.73 0.66 -0.21 3.07 5.19 -1.73 -0.02 116.42 124.11 1b2u h ASP 16 Ca 0.16 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1b2u h ASP 16 Cb 0.34 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1b2u h ASP 16 CO 0.00 0.67 0.06 0.25 -3.12 0.00 0.00 179.24 177.11 1b2u h LEU 17 N 0.68 0.31 -0.87 1.55 6.46 -0.55 -0.73 115.31 122.15 1b2u h LEU 17 Ca 0.15 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.60 1b2u h LEU 17 Cb 0.30 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1b2u h LEU 17 CO 0.00 0.44 -0.25 0.45 -0.62 0.00 0.00 178.44 178.46 1b2u h HIS 18 N 0.16 0.62 -0.63 1.25 3.86 0.17 -0.63 115.15 119.95 1b2u h HIS 18 Ca 0.07 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1b2u h HIS 18 Cb 0.24 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1b2u h HIS 18 CO 0.00 0.75 0.29 0.37 0.86 0.00 0.00 177.93 180.21 1b2u h GLN 19 N 0.48 0.91 -0.27 2.45 5.75 -1.08 0.52 115.11 123.87 1b2u h GLN 19 Ca 0.07 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1b2u h GLN 19 Cb 0.69 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1b2u h GLN 19 CO 0.05 0.74 -0.02 1.15 -2.65 0.00 0.00 178.83 178.10 1b2u h THR 20 N 0.86 1.27 -0.93 2.39 2.02 -0.46 -2.17 112.91 115.89 1b2u h THR 20 Ca 0.21 -0.98 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1b2u h THR 20 Cb 0.14 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1b2u h THR 20 CO -0.02 0.31 0.62 -0.07 0.37 0.00 0.00 175.52 176.72 1b2u h LEU 21 N 0.27 1.05 -0.28 2.58 3.38 -0.70 0.13 115.31 121.74 1b2u h LEU 21 Ca 0.07 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1b2u h LEU 21 Cb 0.46 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1b2u h LEU 21 CO 0.02 0.74 -0.13 0.50 0.09 0.00 0.00 178.44 179.66 1b2u h LYS 22 N 1.23 -0.09 0.12 1.13 3.64 0.38 -0.85 116.57 122.12 1b2u h LYS 22 Ca 0.35 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.47 1b2u h LYS 22 Cb -0.08 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1b2u h LYS 22 CO -0.09 -0.06 -1.11 0.87 -2.27 0.00 0.00 179.45 176.79 1b2u h LYS 23 N -0.09 0.55 -0.30 1.90 1.79 -1.02 -1.44 116.57 117.95 1b2u h LYS 23 Ca 0.14 -0.75 -0.06 0.00 -2.18 0.00 0.00 60.65 57.81 1b2u h LYS 23 Cb 0.31 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1b2u h LYS 23 CO -0.34 1.33 -0.08 0.93 -1.08 0.00 0.00 179.45 180.21 1b2u h GLU 24 N 0.12 0.49 -0.02 3.15 4.39 -0.68 -3.16 114.58 118.87 1b2u h GLU 24 Ca -0.17 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1b2u h GLU 24 Cb 1.81 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1b2u h GLU 24 CO 0.21 0.58 -0.32 1.28 -1.16 0.00 0.00 179.01 179.61 1b2u n LEU 25 N -4.23 2.26 -2.92 1.33 4.77 -0.33 -4.80 117.00 113.08 1b2u n LEU 25 Ca 0.01 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.03 1b2u n LEU 25 Cb 0.29 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1b2u n LEU 25 CO 0.40 0.40 0.12 0.00 -1.33 0.00 0.00 177.39 176.98 1b2u n ALA 26 N 0.36 -1.40 -1.28 -1.18 0.00 -0.84 -4.81 120.51 111.36 1b2u n ALA 26 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1b2u n ALA 26 Cb 0.50 -2.85 0.10 0.00 0.00 0.00 0.00 19.45 17.20 1b2u n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b2u s LEU 27 N -5.62 2.87 0.71 0.00 1.43 -0.60 -4.95 118.68 112.51 1b2u s LEU 27 Ca 0.16 1.72 -0.16 0.00 -1.03 0.00 0.00 54.13 54.82 1b2u s LEU 27 Cb -0.07 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.80 1b2u s LEU 27 CO 0.58 -2.11 1.25 -2.16 0.23 0.00 0.00 176.35 174.13 1b2u s PRO 28 N -4.93 2.20 0.53 1.29 0.04 -1.26 -4.88 135.00 127.99 1b2u s PRO 28 Ca 0.61 1.90 0.21 0.00 0.04 0.00 0.00 61.00 63.77 1b2u s PRO 28 Cb -0.17 -1.82 1.38 0.00 0.04 0.00 0.00 34.50 33.93 1b2u s PRO 28 CO 0.56 -1.83 2.11 1.05 0.04 0.00 0.00 177.00 178.93 1b2u h GLU 29 N -0.06 0.00 -0.01 4.56 -0.00 -1.99 -0.42 114.58 116.66 1b2u h GLU 29 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1b2u h GLU 29 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 1b2u h GLU 29 CO 0.50 0.00 -0.00 2.48 -0.00 0.00 0.00 179.01 181.99 1b2u n TYR 30 N -4.38 0.00 -0.96 2.06 0.18 -1.26 -4.98 117.16 107.81 1b2u n TYR 30 Ca 0.01 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.42 1b2u n TYR 30 Cb 0.26 -0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.16 1b2u n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1b2u n TYR 31 N -0.45 0.96 1.08 -3.48 9.36 -0.17 -4.80 117.16 119.67 1b2u n TYR 31 Ca 0.22 0.63 0.12 0.00 3.32 0.00 0.00 57.90 62.18 1b2u n TYR 31 Cb 0.22 -1.23 0.58 0.00 -0.63 0.00 0.00 39.34 38.29 1b2u n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b2u n GLY 32 N 2.25 -1.09 3.70 2.98 0.00 -1.26 -4.92 105.19 106.85 1b2u n GLY 32 Ca 0.17 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1b2u n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b2u n GLU 33 N -1.31 -2.47 -3.86 1.61 1.02 -1.26 -4.98 120.64 109.39 1b2u n GLU 33 Ca 0.11 0.52 -0.09 0.00 -0.02 0.00 0.00 57.16 57.67 1b2u n GLU 33 Cb 0.20 -4.56 0.01 0.00 -0.02 0.00 0.00 31.44 27.06 1b2u n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b2u s ASN 34 N -3.82 0.05 0.10 1.62 2.20 -1.26 -5.01 114.94 108.82 1b2u s ASN 34 Ca 0.29 -1.07 -0.13 0.00 -0.94 0.00 0.00 52.86 51.00 1b2u s ASN 34 Cb -0.09 0.80 -0.15 0.00 -2.00 0.00 0.00 41.25 39.81 1b2u s ASN 34 CO 0.85 -1.56 1.31 -0.07 -2.94 0.00 0.00 177.10 174.69 1b2u h LEU 35 N 2.02 0.91 -0.80 3.54 3.38 -1.98 -1.89 115.31 120.50 1b2u h LEU 35 Ca -0.29 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.11 1b2u h LEU 35 Cb 1.25 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1b2u h LEU 35 CO 0.37 1.37 0.50 0.00 0.09 0.00 0.00 178.44 180.77 1b2u h ALA 36 N 0.57 1.06 -0.57 1.53 0.00 -1.99 0.19 119.26 120.05 1b2u h ALA 36 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1b2u h ALA 36 Cb 1.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1b2u h ALA 36 CO 0.15 0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.82 1b2u h ALA 37 N 1.35 0.75 0.11 0.00 0.00 -1.92 -0.32 119.26 119.22 1b2u h ALA 37 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1b2u h ALA 37 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1b2u h ALA 37 CO -0.13 0.45 -0.05 1.25 0.00 0.00 0.00 179.25 180.77 1b2u h LEU 38 N 0.81 -0.12 -0.21 0.00 5.85 -1.11 0.47 115.31 121.00 1b2u h LEU 38 Ca 0.18 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1b2u h LEU 38 Cb 0.35 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1b2u h LEU 38 CO 0.00 0.01 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.71 1b2u h TRP 39 N -0.24 -0.36 -0.90 1.25 2.91 -0.68 -1.36 115.95 116.56 1b2u h TRP 39 Ca -0.01 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.10 1b2u h TRP 39 Cb 0.20 0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 28.97 1b2u h TRP 39 CO -0.04 -0.21 0.56 0.22 -1.03 0.00 0.00 178.44 177.94 1b2u h ASP 40 N -0.14 0.88 -0.46 2.65 3.58 -0.92 -1.72 116.42 120.28 1b2u h ASP 40 Ca 0.12 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 1b2u h ASP 40 Cb 0.32 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1b2u h ASP 40 CO -0.30 0.54 -0.01 0.00 -2.88 0.00 0.00 179.24 176.60 1b2u h LEU 42 N 0.82 0.54 0.00 0.00 3.38 -0.78 -0.71 115.31 118.57 1b2u h LEU 42 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1b2u h LEU 42 Cb 0.50 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1b2u h LEU 42 CO 0.02 0.82 -1.02 0.35 0.09 0.00 0.00 178.44 178.71 1b2u n THR 43 N -4.09 0.35 -2.71 0.22 -2.24 -0.69 -4.68 114.28 100.43 1b2u n THR 43 Ca -0.01 -0.37 -0.03 0.00 -2.27 0.00 0.00 64.05 61.37 1b2u n THR 43 Cb 0.45 -0.07 0.10 0.00 -2.10 0.00 0.00 70.33 68.71 1b2u n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b2u n GLY 44 N 1.29 1.83 2.19 3.38 0.00 0.85 -4.98 105.19 109.75 1b2u n GLY 44 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1b2u n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b2u n TRP 45 N -1.06 -4.34 -1.98 1.61 -0.00 -0.69 -4.85 117.44 106.13 1b2u n TRP 45 Ca -0.08 1.41 -0.37 0.00 -0.00 0.00 0.00 57.50 58.47 1b2u n TRP 45 Cb 0.85 3.39 0.03 0.00 -0.00 0.00 0.00 31.31 35.59 1b2u n TRP 45 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1b2u s VAL 46 N -2.00 2.55 0.50 5.87 -7.23 -0.36 -5.01 120.40 114.72 1b2u s VAL 46 Ca 0.00 0.36 -0.19 0.00 -1.81 0.00 0.00 61.98 60.34 1b2u s VAL 46 Cb 0.00 -3.16 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 1b2u s VAL 46 CO 0.00 -0.05 1.01 -0.70 -0.31 0.00 0.00 175.10 175.04 1b2u s GLU 47 N -3.18 3.84 0.18 4.82 2.12 -1.26 -5.00 118.70 120.21 1b2u s GLU 47 Ca 0.75 1.18 0.09 0.00 0.36 0.00 0.00 54.97 57.35 1b2u s GLU 47 Cb -0.32 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1b2u s GLU 47 CO 0.36 -0.37 -0.18 0.71 -0.54 0.00 0.00 175.26 175.23 1b2u s TYR 48 N -2.27 1.89 0.75 5.30 2.02 -1.26 -4.22 117.35 119.55 1b2u s TYR 48 Ca 0.63 -0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 56.74 1b2u s TYR 48 Cb -0.13 -0.92 0.05 0.00 -0.40 0.00 0.00 41.96 40.56 1b2u s TYR 48 CO 0.24 0.38 1.15 -1.25 -1.57 0.00 0.00 175.55 174.50 1b2u s PRO 49 N -2.95 2.12 -0.04 -1.71 0.04 -1.26 -5.12 135.00 126.09 1b2u s PRO 49 Ca 0.18 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1b2u s PRO 49 Cb -0.05 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1b2u s PRO 49 CO 0.08 -1.79 -0.25 -1.17 0.04 0.00 0.00 177.00 173.90 1b2u s LEU 50 N -5.49 2.08 -0.26 -3.56 2.96 -0.63 -5.04 118.68 108.75 1b2u s LEU 50 Ca 0.68 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1b2u s LEU 50 Cb -0.23 -1.36 0.07 0.00 0.50 0.00 0.00 46.19 45.17 1b2u s LEU 50 CO 0.49 0.29 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.11 1b2u s VAL 51 N -0.45 1.43 -0.21 1.68 1.01 -1.26 -0.80 120.40 121.81 1b2u s VAL 51 Ca 0.05 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 1b2u s VAL 51 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1b2u s VAL 51 CO 0.01 -0.26 0.09 -0.22 0.00 0.00 0.00 175.10 174.72 1b2u s LEU 52 N 1.41 3.86 -0.29 3.92 1.98 0.60 -2.49 118.68 127.67 1b2u s LEU 52 Ca -0.01 0.05 -0.05 0.00 -2.89 0.00 0.00 54.13 51.23 1b2u s LEU 52 Cb -0.18 -2.00 0.02 0.00 0.66 0.00 0.00 46.19 44.68 1b2u s LEU 52 CO -0.09 0.11 0.04 -0.70 -1.89 0.00 0.00 176.35 173.82 1b2u s GLU 53 N 0.74 2.92 -0.96 1.98 2.12 0.10 0.12 118.70 125.73 1b2u s GLU 53 Ca 0.05 -0.96 -0.11 0.00 0.36 0.00 0.00 54.97 54.31 1b2u s GLU 53 Cb -0.13 -3.27 0.25 0.00 0.26 0.00 0.00 34.13 31.24 1b2u s GLU 53 CO 0.02 -0.47 0.92 -0.46 -0.54 0.00 0.00 175.26 174.73 1b2u s TRP 54 N 1.42 4.00 0.04 5.30 -0.11 0.21 -0.66 118.94 129.15 1b2u s TRP 54 Ca 0.01 -2.37 -0.30 0.00 1.22 0.00 0.00 56.10 54.66 1b2u s TRP 54 Cb -0.18 -3.80 -0.04 0.00 -1.50 0.00 0.00 33.47 27.95 1b2u s TRP 54 CO 0.00 -0.96 1.01 0.50 -4.62 0.00 0.00 176.95 172.88 1b2u s ARG 55 N -0.56 4.58 -1.04 5.86 3.52 -1.02 -2.35 118.95 127.94 1b2u s ARG 55 Ca 0.24 1.49 -0.05 0.00 -0.13 0.00 0.00 55.73 57.28 1b2u s ARG 55 Cb -0.10 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1b2u s ARG 55 CO -0.09 -0.01 0.90 1.04 -0.81 0.00 0.00 175.30 176.33 1b2u n GLN 56 N 3.57 -6.05 -1.08 5.12 1.13 -0.84 -1.02 117.38 118.22 1b2u n GLN 56 Ca 0.05 0.66 -0.35 0.00 -1.94 0.00 0.00 57.00 55.42 1b2u n GLN 56 Cb 0.50 -5.19 0.02 0.00 0.11 0.00 0.00 30.24 25.68 1b2u n GLN 56 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1b2u n PHE 57 N -4.21 -3.43 0.00 1.08 7.35 -1.24 -4.09 117.46 112.92 1b2u n PHE 57 Ca -0.06 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1b2u n PHE 57 Cb 0.57 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.91 1b2u n PHE 57 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b2u n GLY 67 N 2.64 0.00 0.24 7.13 0.00 -1.26 -4.79 105.19 109.15 1b2u n GLY 67 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1b2u n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2u h ALA 68 N 0.00 0.41 -0.46 4.61 0.00 -2.00 -2.95 119.26 118.87 1b2u h ALA 68 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1b2u h ALA 68 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1b2u h ALA 68 CO 0.00 0.66 0.25 1.49 0.00 0.00 0.00 179.25 181.65 1b2u h GLU 69 N 0.62 0.65 -0.97 0.00 4.57 -1.99 -0.95 114.58 116.51 1b2u h GLU 69 Ca -0.00 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1b2u h GLU 69 Cb 1.21 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.60 1b2u h GLU 69 CO 0.13 0.52 0.63 0.77 -1.18 0.00 0.00 179.01 179.88 1b2u h SER 70 N 0.61 0.96 0.16 1.04 0.02 -1.99 -0.20 113.55 114.15 1b2u h SER 70 Ca 0.16 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1b2u h SER 70 Cb 0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1b2u h SER 70 CO -0.02 0.58 -0.08 0.58 -1.14 0.00 0.00 176.83 176.75 1b2u h VAL 71 N 1.07 0.96 -0.72 2.27 2.07 -1.31 -2.99 116.25 117.60 1b2u h VAL 71 Ca 0.44 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.43 1b2u h VAL 71 Cb 0.29 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1b2u h VAL 71 CO -0.19 0.15 0.33 0.25 0.02 0.00 0.00 177.57 178.13 1b2u h LEU 72 N -0.53 0.40 -1.78 2.57 5.85 -0.88 -0.44 115.31 120.49 1b2u h LEU 72 Ca -0.02 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1b2u h LEU 72 Cb 0.41 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1b2u h LEU 72 CO 0.04 0.21 0.30 -0.61 -0.34 0.00 0.00 178.44 178.03 1b2u h GLN 73 N 0.54 0.26 -0.50 1.25 4.15 -0.96 -0.77 115.11 119.08 1b2u h GLN 73 Ca 0.37 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.69 1b2u h GLN 73 Cb 0.45 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1b2u h GLN 73 CO -0.31 0.17 -0.05 0.28 -1.93 0.00 0.00 178.83 176.99 1b2u h VAL 74 N 0.26 1.26 -0.49 2.39 2.07 -0.93 0.21 116.25 121.01 1b2u h VAL 74 Ca 0.20 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1b2u h VAL 74 Cb 0.45 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1b2u h VAL 74 CO -0.04 0.39 -0.09 -0.26 0.02 0.00 0.00 177.57 177.59 1b2u h PHE 75 N 0.80 0.97 -0.42 1.57 0.04 -1.18 0.36 116.94 119.08 1b2u h PHE 75 Ca 0.14 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1b2u h PHE 75 Cb 0.54 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1b2u h PHE 75 CO 0.03 0.92 -0.05 0.00 -0.60 0.00 0.00 178.31 178.62 1b2u h ARG 76 N 0.80 0.77 -0.39 1.51 2.47 -0.82 -0.65 114.38 118.06 1b2u h ARG 76 Ca 0.13 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1b2u h ARG 76 Cb 0.60 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1b2u h ARG 76 CO 0.04 0.87 0.26 0.93 0.56 0.00 0.00 179.97 182.62 1b2u h GLU 77 N 0.59 0.51 -0.42 0.04 5.08 -0.13 0.32 114.58 120.57 1b2u h GLU 77 Ca 0.11 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1b2u h GLU 77 Cb 0.55 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1b2u h GLU 77 CO 0.03 0.34 0.20 0.00 -1.00 0.00 0.00 179.01 178.58 1b2u h ALA 78 N 1.14 0.52 -0.53 3.43 0.00 0.05 -0.41 119.26 123.47 1b2u h ALA 78 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1b2u h ALA 78 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1b2u h ALA 78 CO -0.03 -0.16 0.33 -0.22 0.00 0.00 0.00 179.25 179.17 1b2u h LYS 79 N 0.41 0.64 0.00 0.00 3.64 -0.90 -1.77 116.57 118.59 1b2u h LYS 79 Ca 0.18 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1b2u h LYS 79 Cb 0.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1b2u h LYS 79 CO -0.14 0.42 -0.17 0.00 -2.27 0.00 0.00 179.45 177.30 1b2u h ALA 80 N 1.22 1.26 0.00 5.00 0.00 -0.22 -0.95 119.26 125.58 1b2u h ALA 80 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b2u h ALA 80 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1b2u h ALA 80 CO -0.08 0.21 0.00 -1.91 0.00 0.00 0.00 179.25 177.47 1b2u n GLU 81 N -3.67 0.23 0.00 0.00 2.13 -0.23 -4.87 120.64 114.22 1b2u n GLU 81 Ca -0.02 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1b2u n GLU 81 Cb 0.29 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.14 1b2u n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b2u n GLY 82 N 0.56 1.19 3.77 8.31 0.00 -0.36 -5.10 105.19 113.56 1b2u n GLY 82 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1b2u n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2u n ASP 84 N 0.04 4.67 -4.29 0.00 -0.08 -1.26 -4.46 116.55 111.18 1b2u n ASP 84 Ca 0.04 -2.91 -0.32 0.00 -1.51 0.00 0.00 54.79 50.09 1b2u n ASP 84 Cb 0.46 -1.70 -0.16 0.00 2.34 0.00 0.00 41.12 42.06 1b2u n ASP 84 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1b2u s ILE 85 N 3.62 2.39 -0.22 5.18 1.01 -1.26 -1.61 121.20 130.31 1b2u s ILE 85 Ca 0.51 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1b2u s ILE 85 Cb 0.06 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1b2u s ILE 85 CO 0.02 0.55 -0.04 -0.89 0.00 0.00 0.00 174.94 174.59 1b2u s THR 86 N 0.17 3.43 -0.16 2.92 2.01 0.02 -4.94 115.64 119.09 1b2u s THR 86 Ca -0.12 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1b2u s THR 86 Cb -0.16 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1b2u s THR 86 CO 0.06 0.42 0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 1b2u s ILE 87 N 1.45 4.47 -0.28 1.82 1.01 -1.26 -0.29 121.20 128.12 1b2u s ILE 87 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1b2u s ILE 87 Cb -0.14 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.38 1b2u s ILE 87 CO -0.03 0.49 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 1b2u s ILE 88 N 0.16 3.09 -0.58 2.92 1.01 0.12 -4.97 121.20 122.94 1b2u s ILE 88 Ca 0.02 -1.14 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 1b2u s ILE 88 Cb -0.13 -2.67 0.13 0.00 0.01 0.00 0.00 42.46 39.81 1b2u s ILE 88 CO 0.01 0.04 0.57 -0.76 0.00 0.00 0.00 174.94 174.81 1b2u s LEU 89 N 1.32 6.09 0.00 2.97 1.43 -1.26 -0.62 118.68 128.61 1b2u s LEU 89 Ca -0.02 -1.83 0.05 0.00 -1.03 0.00 0.00 54.13 51.31 1b2u s LEU 89 Cb -0.18 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1b2u s LEU 89 CO -0.02 -0.88 0.66 -1.54 0.23 0.00 0.00 176.35 174.81