#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3s s LYS 2 N 0.00 3.21 -0.12 2.12 2.20 -0.07 -5.00 119.74 122.09 1b3s s LYS 2 Ca 0.00 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1b3s s LYS 2 Cb 0.00 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1b3s s LYS 2 CO 0.00 0.57 -0.23 0.21 -0.36 0.00 0.00 175.35 175.54 1b3s s LYS 3 N -0.51 3.05 -0.13 4.03 2.47 -1.26 -1.20 119.74 126.19 1b3s s LYS 3 Ca 0.09 -0.86 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 1b3s s LYS 3 Cb -0.12 -2.38 -0.00 0.00 -1.46 0.00 0.00 37.83 33.87 1b3s s LYS 3 CO 0.02 0.08 -0.18 0.00 0.16 0.00 0.00 175.35 175.43 1b3s s ALA 4 N 0.58 2.40 -0.08 3.13 0.00 -0.30 -4.96 121.76 122.53 1b3s s ALA 4 Ca -0.13 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1b3s s ALA 4 Cb -0.17 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1b3s s ALA 4 CO 0.04 0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.90 1b3s s VAL 5 N 0.50 3.02 -0.21 0.00 1.01 -1.26 -0.57 120.40 122.90 1b3s s VAL 5 Ca -0.12 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1b3s s VAL 5 Cb -0.16 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1b3s s VAL 5 CO 0.05 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1b3s s ILE 6 N -0.33 2.22 -0.76 2.22 1.01 -0.59 -4.96 121.20 120.01 1b3s s ILE 6 Ca 0.03 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1b3s s ILE 6 Cb -0.13 -2.04 0.14 0.00 0.01 0.00 0.00 42.46 40.44 1b3s s ILE 6 CO 0.02 0.38 0.87 0.20 0.00 0.00 0.00 174.94 176.42 1b3s s ASN 7 N 1.26 6.46 0.31 3.58 -0.87 -1.26 -0.97 114.94 123.44 1b3s s ASN 7 Ca 0.02 -1.89 0.06 0.00 -1.57 0.00 0.00 52.86 49.47 1b3s s ASN 7 Cb -0.15 -2.32 0.83 0.00 -0.02 0.00 0.00 41.25 39.59 1b3s s ASN 7 CO -0.10 -1.00 1.65 1.23 -2.57 0.00 0.00 177.10 176.31 1b3s h GLY 8 N 9.71 1.58 2.00 0.66 0.00 0.18 0.69 103.07 117.89 1b3s h GLY 8 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1b3s h GLY 8 CO 1.03 -0.42 0.00 1.05 0.00 0.00 0.00 176.54 178.20 1b3s h GLU 9 N 0.23 0.00 -0.01 4.80 9.09 -1.76 -1.68 114.58 125.26 1b3s h GLU 9 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 1b3s h GLU 9 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1b3s h GLU 9 CO -0.65 0.00 -0.44 1.04 0.05 0.00 0.00 179.01 179.01 1b3s n GLN 10 N -2.88 0.62 -2.75 1.06 6.02 0.23 -4.86 117.38 114.82 1b3s n GLN 10 Ca -0.02 -0.42 -0.43 0.00 -0.01 0.00 0.00 57.00 56.12 1b3s n GLN 10 Cb 0.08 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 1b3s n GLN 10 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b3s s ILE 11 N -2.67 4.56 -1.02 5.09 -1.09 -0.63 -4.88 121.20 120.55 1b3s s ILE 11 Ca 0.18 1.38 0.09 0.00 -2.23 0.00 0.00 60.65 60.07 1b3s s ILE 11 Cb 0.18 -4.36 0.05 0.00 -1.58 0.00 0.00 42.46 36.75 1b3s s ILE 11 CO 0.61 -0.52 0.71 0.54 -1.23 0.00 0.00 174.94 175.06 1b3s n ARG 12 N 6.81 0.97 -3.73 2.79 5.12 -1.26 -4.76 116.66 122.60 1b3s n ARG 12 Ca 0.09 -0.87 -0.05 0.00 -1.93 0.00 0.00 57.85 55.09 1b3s n ARG 12 Cb 0.48 -1.13 -0.02 0.00 -1.16 0.00 0.00 32.46 30.64 1b3s n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1b3s s SER 13 N -0.94 -0.23 0.31 0.55 1.04 -1.22 -4.81 113.70 108.40 1b3s s SER 13 Ca 0.09 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.22 1b3s s SER 13 Cb 0.07 0.53 0.52 0.00 0.10 0.00 0.00 66.02 67.24 1b3s s SER 13 CO 0.15 -0.95 1.75 -0.29 0.98 0.00 0.00 173.24 174.87 1b3s h ILE 14 N 2.00 1.28 -0.88 -1.02 6.09 -1.87 -2.01 117.51 121.10 1b3s h ILE 14 Ca -0.23 -1.37 0.04 0.00 -1.37 0.00 0.00 64.86 61.94 1b3s h ILE 14 Cb 1.24 1.58 -0.05 0.00 0.47 0.00 0.00 36.82 40.06 1b3s h ILE 14 CO 0.26 0.41 0.58 -1.28 -3.07 0.00 0.00 178.15 175.05 1b3s h SER 15 N 0.21 0.93 -0.48 2.19 0.87 -1.95 -1.32 113.55 113.99 1b3s h SER 15 Ca 0.02 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1b3s h SER 15 Cb 0.72 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1b3s h SER 15 CO 0.05 0.62 0.01 0.44 -0.53 0.00 0.00 176.83 177.43 1b3s h ASP 16 N 1.07 0.87 -0.38 6.23 3.32 -1.76 -1.77 116.42 123.99 1b3s h ASP 16 Ca 0.36 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1b3s h ASP 16 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1b3s h ASP 16 CO -0.12 0.92 -0.09 0.25 -1.72 0.00 0.00 179.24 178.48 1b3s h LEU 17 N 0.84 0.74 -0.22 1.55 5.85 -1.03 0.23 115.31 123.26 1b3s h LEU 17 Ca 0.16 -0.36 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 1b3s h LEU 17 Cb 0.48 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.31 1b3s h LEU 17 CO 0.02 0.93 -0.77 0.45 -0.34 0.00 0.00 178.44 178.73 1b3s h HIS 18 N 0.54 0.94 -0.25 1.25 3.86 -1.25 -1.47 115.15 118.77 1b3s h HIS 18 Ca 0.10 -0.42 -0.08 0.00 -1.16 0.00 0.00 60.37 58.81 1b3s h HIS 18 Cb 0.61 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1b3s h HIS 18 CO 0.05 1.23 -0.20 1.96 0.86 0.00 0.00 177.93 181.83 1b3s h GLN 19 N 0.47 0.45 -0.32 2.45 4.20 -1.32 0.16 115.11 121.20 1b3s h GLN 19 Ca -0.05 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1b3s h GLN 19 Cb 1.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1b3s h GLN 19 CO 0.15 0.63 -0.42 1.15 -0.67 0.00 0.00 178.83 179.68 1b3s h THR 20 N 0.40 1.28 -0.47 -0.54 2.02 -0.47 -2.88 112.91 112.26 1b3s h THR 20 Ca 0.07 -1.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.56 1b3s h THR 20 Cb 0.58 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1b3s h THR 20 CO 0.04 0.52 -0.06 -0.07 0.37 0.00 0.00 175.52 176.32 1b3s h LEU 21 N 0.63 0.86 -0.45 2.58 3.38 -0.76 -2.18 115.31 119.38 1b3s h LEU 21 Ca 0.05 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1b3s h LEU 21 Cb 0.98 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1b3s h LEU 21 CO 0.09 0.99 0.05 0.50 0.09 0.00 0.00 178.44 180.17 1b3s h LYS 22 N 0.71 0.17 -0.02 1.13 3.64 -0.62 -0.12 116.57 121.46 1b3s h LYS 22 Ca 0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1b3s h LYS 22 Cb 0.59 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1b3s h LYS 22 CO 0.04 0.11 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.10 1b3s h LYS 23 N 0.17 0.04 0.00 1.90 1.63 -1.48 0.91 116.57 119.74 1b3s h LYS 23 Ca 0.22 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1b3s h LYS 23 Cb 0.31 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1b3s h LYS 23 CO -0.33 0.35 -0.29 0.93 -3.45 0.00 0.00 179.45 176.67 1b3s h GLU 24 N -0.28 0.00 -0.30 1.90 4.39 -1.17 -2.97 114.58 116.15 1b3s h GLU 24 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1b3s h GLU 24 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1b3s h GLU 24 CO 0.00 0.29 0.00 1.28 -1.16 0.00 0.00 179.01 179.42 1b3s n LEU 25 N -3.35 2.85 -3.84 1.33 4.77 -0.08 -4.54 117.00 114.15 1b3s n LEU 25 Ca 0.01 -1.63 -0.24 0.00 -0.03 0.00 0.00 56.01 54.11 1b3s n LEU 25 Cb 0.51 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1b3s n LEU 25 CO 0.35 0.66 -0.16 0.00 -1.33 0.00 0.00 177.39 176.91 1b3s n ALA 26 N 0.83 -2.04 -1.27 -1.18 0.00 -0.76 -4.80 120.51 111.28 1b3s n ALA 26 Ca 0.13 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 1b3s n ALA 26 Cb 0.44 -1.79 0.13 0.00 0.00 0.00 0.00 19.45 18.22 1b3s n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b3s s LEU 27 N -6.82 2.36 0.69 0.00 1.43 0.24 -4.96 118.68 111.62 1b3s s LEU 27 Ca 0.03 1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.43 1b3s s LEU 27 Cb -0.01 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.24 1b3s s LEU 27 CO 0.86 -2.49 0.71 -2.65 0.23 0.00 0.00 176.35 173.01 1b3s n PRO 28 N -3.78 0.44 -0.36 1.29 -0.02 -1.26 -4.85 135.00 126.46 1b3s n PRO 28 Ca 0.07 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.80 1b3s n PRO 28 Cb 0.55 -1.98 0.22 0.00 -0.02 0.00 0.00 33.50 32.28 1b3s n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1b3s h GLU 29 N -0.19 1.03 -0.89 -0.52 4.81 -1.99 -0.38 114.58 116.45 1b3s h GLU 29 Ca -0.46 -0.06 -0.51 0.00 -0.13 0.00 0.00 59.36 58.19 1b3s h GLU 29 Cb 1.35 -0.23 -0.28 0.00 0.63 0.00 0.00 28.75 30.22 1b3s h GLU 29 CO 0.45 0.68 0.54 1.19 -0.73 0.00 0.00 179.01 181.15 1b3s n PHE 30 N -4.57 2.81 -1.64 0.92 3.72 -1.26 -5.01 117.46 112.43 1b3s n PHE 30 Ca 0.18 -2.15 -0.60 0.00 -0.05 0.00 0.00 57.45 54.82 1b3s n PHE 30 Cb 0.30 -0.99 -0.08 0.00 -0.94 0.00 0.00 39.48 37.76 1b3s n PHE 30 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1b3s n TYR 31 N -1.07 1.43 0.25 1.38 9.36 -0.15 -4.79 117.16 123.57 1b3s n TYR 31 Ca 0.56 0.90 0.14 0.00 3.32 0.00 0.00 57.90 62.83 1b3s n TYR 31 Cb 1.28 -2.25 0.71 0.00 -0.63 0.00 0.00 39.34 38.45 1b3s n TYR 31 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1b3s h GLY 32 N 4.76 0.00 -6.14 2.98 0.00 -1.90 -3.47 103.07 99.31 1b3s h GLY 32 Ca -0.47 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.41 1b3s h GLY 32 CO 0.84 0.00 -0.74 1.18 0.00 0.00 0.00 176.54 177.82 1b3s n GLU 33 N -2.48 -6.24 -4.32 4.80 1.02 -1.26 -4.95 120.64 107.21 1b3s n GLU 33 Ca -0.01 0.67 -0.19 0.00 -0.02 0.00 0.00 57.16 57.61 1b3s n GLU 33 Cb 0.10 -5.59 -0.09 0.00 -0.02 0.00 0.00 31.44 25.84 1b3s n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b3s s ASN 34 N -3.42 1.66 0.22 1.62 2.20 -1.26 -4.98 114.94 110.98 1b3s s ASN 34 Ca 0.58 -1.67 -0.01 0.00 -0.94 0.00 0.00 52.86 50.81 1b3s s ASN 34 Cb -0.28 0.50 0.22 0.00 -2.00 0.00 0.00 41.25 39.69 1b3s s ASN 34 CO 0.80 -0.99 1.59 -0.07 -2.94 0.00 0.00 177.10 175.49 1b3s h LEU 35 N 2.15 0.58 -0.43 3.54 3.38 -1.98 -1.69 115.31 120.87 1b3s h LEU 35 Ca -0.29 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 1b3s h LEU 35 Cb 1.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1b3s h LEU 35 CO 0.44 0.93 0.03 0.44 0.09 0.00 0.00 178.44 180.37 1b3s h ASP 36 N 0.45 0.71 0.46 -0.43 3.32 -1.99 -1.25 116.42 117.69 1b3s h ASP 36 Ca 0.04 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1b3s h ASP 36 Cb 0.91 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1b3s h ASP 36 CO 0.08 0.82 -0.41 0.00 -1.72 0.00 0.00 179.24 178.01 1b3s h ALA 37 N 0.92 1.27 -0.23 3.45 0.00 -1.92 -2.27 119.26 120.47 1b3s h ALA 37 Ca 0.13 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1b3s h ALA 37 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b3s h ALA 37 CO 0.02 0.51 -0.16 1.25 0.00 0.00 0.00 179.25 180.87 1b3s h LEU 38 N 0.00 0.54 -0.24 0.00 5.85 -0.80 -0.92 115.31 119.74 1b3s h LEU 38 Ca -0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1b3s h LEU 38 Cb 0.75 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1b3s h LEU 38 CO 0.05 0.86 0.15 -0.25 -0.34 0.00 0.00 178.44 178.92 1b3s h TRP 39 N 0.21 0.29 -0.30 1.25 2.91 -1.11 0.71 115.95 119.93 1b3s h TRP 39 Ca 0.04 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 1b3s h TRP 39 Cb 0.69 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 1b3s h TRP 39 CO 0.07 0.18 0.05 0.22 -1.03 0.00 0.00 178.44 177.93 1b3s h ASP 40 N 0.32 0.40 0.00 2.65 3.58 -1.40 -0.63 116.42 121.33 1b3s h ASP 40 Ca 0.09 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 1b3s h ASP 40 Cb -0.03 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 40.92 1b3s h ASP 40 CO -0.02 0.43 -0.46 0.00 -2.88 0.00 0.00 179.24 176.30 1b3s h LEU 42 N -0.27 0.40 -3.04 0.00 3.38 -0.61 -1.18 115.31 113.98 1b3s h LEU 42 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1b3s h LEU 42 Cb 1.20 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1b3s h LEU 42 CO 0.09 0.29 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1b3s n THR 43 N -4.48 1.56 -1.93 0.22 -2.24 -0.27 -4.63 114.28 102.51 1b3s n THR 43 Ca 0.02 -1.24 -0.05 0.00 -2.27 0.00 0.00 64.05 60.52 1b3s n THR 43 Cb 0.07 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1b3s n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b3s n GLY 44 N 0.70 0.32 1.82 3.38 0.00 -0.74 -5.01 105.19 105.66 1b3s n GLY 44 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1b3s n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b3s n TRP 45 N -0.09 -3.21 -1.44 1.61 -0.00 -0.52 -4.85 117.44 108.95 1b3s n TRP 45 Ca -0.20 0.65 -0.40 0.00 -0.00 0.00 0.00 57.50 57.55 1b3s n TRP 45 Cb 0.60 1.88 0.02 0.00 -0.00 0.00 0.00 31.31 33.80 1b3s n TRP 45 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1b3s n VAL 46 N -2.83 1.71 -3.09 5.87 0.31 -0.78 -4.98 118.33 114.53 1b3s n VAL 46 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1b3s n VAL 46 Cb 0.00 -0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 1b3s n VAL 46 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1b3s s GLU 47 N -1.66 4.17 0.15 5.55 2.12 -1.26 -4.99 118.70 122.79 1b3s s GLU 47 Ca 0.64 0.82 0.05 0.00 0.36 0.00 0.00 54.97 56.84 1b3s s GLU 47 Cb -0.55 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1b3s s GLU 47 CO 0.58 0.29 -0.11 0.71 -0.54 0.00 0.00 175.26 176.19 1b3s s TYR 48 N -1.72 1.35 0.72 5.30 2.02 -1.26 -4.44 117.35 119.33 1b3s s TYR 48 Ca 0.48 -0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 56.35 1b3s s TYR 48 Cb -0.14 -0.68 0.03 0.00 -0.40 0.00 0.00 41.96 40.78 1b3s s TYR 48 CO 0.19 0.14 1.10 -1.25 -1.57 0.00 0.00 175.55 174.17 1b3s s PRO 49 N -3.60 2.46 -0.03 -1.71 0.04 -1.26 -4.76 135.00 126.14 1b3s s PRO 49 Ca 0.17 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1b3s s PRO 49 Cb 0.01 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1b3s s PRO 49 CO 0.02 -1.50 -0.13 -1.17 0.04 0.00 0.00 177.00 174.26 1b3s s LEU 50 N -5.44 1.91 -0.26 -3.56 2.96 0.62 -0.89 118.68 114.02 1b3s s LEU 50 Ca 0.64 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1b3s s LEU 50 Cb -0.19 -0.73 0.04 0.00 0.50 0.00 0.00 46.19 45.80 1b3s s LEU 50 CO 0.49 0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.91 1b3s s VAL 51 N -0.04 2.82 -0.34 1.68 1.01 -0.34 0.63 120.40 125.81 1b3s s VAL 51 Ca -0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 1b3s s VAL 51 Cb -0.08 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1b3s s VAL 51 CO 0.01 0.10 0.23 -0.22 0.00 0.00 0.00 175.10 175.21 1b3s s LEU 52 N 1.28 4.53 -0.40 3.92 2.96 0.11 -1.15 118.68 129.93 1b3s s LEU 52 Ca -0.02 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 1b3s s LEU 52 Cb -0.18 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.42 1b3s s LEU 52 CO -0.04 -0.25 0.26 -0.70 -1.32 0.00 0.00 176.35 174.30 1b3s s GLU 53 N 1.70 2.88 -0.57 1.98 2.12 0.26 -0.30 118.70 126.77 1b3s s GLU 53 Ca 0.06 -1.10 -0.12 0.00 0.36 0.00 0.00 54.97 54.17 1b3s s GLU 53 Cb -0.18 -3.87 0.14 0.00 0.26 0.00 0.00 34.13 30.49 1b3s s GLU 53 CO 0.10 -0.76 0.49 -0.46 -0.54 0.00 0.00 175.26 174.08 1b3s s TRP 54 N 1.61 3.42 0.29 5.30 -0.11 0.46 -1.54 118.94 128.37 1b3s s TRP 54 Ca 0.03 -1.74 -0.13 0.00 1.22 0.00 0.00 56.10 55.49 1b3s s TRP 54 Cb -0.20 -3.65 -0.08 0.00 -1.50 0.00 0.00 33.47 28.04 1b3s s TRP 54 CO 0.08 -0.99 0.68 1.03 -4.62 0.00 0.00 176.95 173.12 1b3s s ARG 55 N 1.14 3.94 -1.24 5.86 0.52 -0.15 -1.97 118.95 127.05 1b3s s ARG 55 Ca 0.08 0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 55.82 1b3s s ARG 55 Cb -0.24 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 1b3s s ARG 55 CO -0.01 0.21 0.85 1.04 0.02 0.00 0.00 175.30 177.41 1b3s n GLN 56 N -0.28 -5.34 0.09 3.54 3.00 -1.08 0.77 117.38 118.09 1b3s n GLN 56 Ca 0.02 0.73 -0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1b3s n GLN 56 Cb 0.53 -5.48 -0.06 0.00 0.00 0.00 0.00 30.24 25.22 1b3s n GLN 56 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1b3s h PHE 57 N -1.83 -0.33 -0.62 1.08 3.57 -1.57 -2.33 116.94 114.92 1b3s h PHE 57 Ca -0.60 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.00 1b3s h PHE 57 Cb 1.35 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 40.14 1b3s h PHE 57 CO 0.44 -0.20 0.21 1.49 -2.23 0.00 0.00 178.31 178.02 1b3s h GLU 58 N -0.27 0.36 -0.56 1.11 4.57 -1.91 -1.19 114.58 116.69 1b3s h GLU 58 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1b3s h GLU 58 Cb 0.27 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1b3s h GLU 58 CO -0.06 0.24 0.35 1.96 -1.18 0.00 0.00 179.01 180.32 1b3s h GLN 59 N 0.37 0.75 0.00 1.92 4.20 -1.85 -2.14 115.11 118.36 1b3s h GLN 59 Ca 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1b3s h GLN 59 Cb 0.43 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1b3s h GLN 59 CO -0.34 0.52 -0.11 0.66 -0.67 0.00 0.00 178.83 178.90 1b3s h SER 60 N 0.76 0.00 0.67 1.46 4.64 -0.70 -2.32 113.55 118.05 1b3s h SER 60 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1b3s h SER 60 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1b3s h SER 60 CO -0.04 0.11 -0.24 0.50 -0.87 0.00 0.00 176.83 176.28 1b3s h LYS 61 N 0.00 0.00 0.00 4.77 3.64 -0.60 -3.31 116.57 121.07 1b3s h LYS 61 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1b3s h LYS 61 Cb 0.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1b3s h LYS 61 CO 0.01 0.24 -0.07 1.96 -2.27 0.00 0.00 179.45 179.33 1b3s h GLN 62 N 0.00 0.00 0.00 1.90 4.20 -1.36 -3.25 115.11 116.60 1b3s h GLN 62 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1b3s h GLN 62 Cb 0.64 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1b3s h GLN 62 CO 0.03 0.07 -0.39 1.47 -0.67 0.00 0.00 178.83 179.35 1b3s n LEU 63 N -3.25 1.41 0.00 1.46 -0.00 -1.25 -4.62 117.00 110.75 1b3s n LEU 63 Ca -0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 56.01 53.67 1b3s n LEU 63 Cb 0.30 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1b3s n LEU 63 CO 0.28 0.63 0.11 0.35 -0.00 0.00 0.00 177.39 178.76 1b3s n THR 64 N -0.63 0.00 0.00 1.47 -2.24 -1.23 -3.44 114.28 108.21 1b3s n THR 64 Ca 0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1b3s n THR 64 Cb 0.74 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 1b3s n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b3s n GLU 65 N -0.27 0.00 0.00 -0.78 -0.58 -1.23 -0.84 120.64 116.94 1b3s n GLU 65 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1b3s n GLU 65 Cb 0.05 0.00 0.74 0.00 -0.57 0.00 0.00 31.44 31.66 1b3s n GLU 65 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1b3s n ASN 66 N 7.49 0.05 0.07 1.62 2.85 -1.26 -4.46 115.26 121.62 1b3s n ASN 66 Ca 0.00 -0.19 -0.09 0.00 -0.11 0.00 0.00 54.58 54.19 1b3s n ASN 66 Cb 0.00 -0.26 -0.05 0.00 1.24 0.00 0.00 39.78 40.71 1b3s n ASN 66 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1b3s h GLY 67 N 5.00 -1.16 -0.87 8.20 0.00 -1.34 -1.47 103.07 111.41 1b3s h GLY 67 Ca 0.00 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.00 1b3s h GLY 67 CO 0.00 -0.36 -0.51 0.00 0.00 0.00 0.00 176.54 175.68 1b3s h ALA 68 N -1.07 -0.33 -0.68 3.60 0.00 -1.79 0.15 119.26 119.14 1b3s h ALA 68 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1b3s h ALA 68 Cb 0.40 1.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1b3s h ALA 68 CO -0.13 -0.86 0.35 1.49 0.00 0.00 0.00 179.25 180.11 1b3s h GLU 69 N -0.07 0.61 -0.97 0.00 4.57 -1.85 -0.98 114.58 115.90 1b3s h GLU 69 Ca 0.21 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1b3s h GLU 69 Cb 0.50 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 1b3s h GLU 69 CO -0.89 0.40 0.60 0.77 -1.18 0.00 0.00 179.01 178.71 1b3s h SER 70 N 0.63 1.15 -0.05 1.04 0.02 0.31 -1.47 113.55 115.18 1b3s h SER 70 Ca 0.32 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 61.00 1b3s h SER 70 Cb 0.29 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1b3s h SER 70 CO -0.23 0.87 -0.78 0.58 -1.14 0.00 0.00 176.83 176.13 1b3s h VAL 71 N 1.33 1.30 -0.71 2.27 2.07 -0.16 -2.97 116.25 119.38 1b3s h VAL 71 Ca 0.35 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1b3s h VAL 71 Cb -0.08 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1b3s h VAL 71 CO -0.07 0.63 0.29 0.25 0.02 0.00 0.00 177.57 178.70 1b3s h LEU 72 N 0.48 0.97 -0.76 2.57 5.85 -1.04 -2.61 115.31 120.77 1b3s h LEU 72 Ca -0.05 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1b3s h LEU 72 Cb 1.40 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 1b3s h LEU 72 CO 0.15 0.87 0.45 -0.61 -0.34 0.00 0.00 178.44 178.96 1b3s h GLN 73 N 1.01 0.81 -0.26 1.25 5.75 -1.27 -0.01 115.11 122.39 1b3s h GLN 73 Ca 0.24 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1b3s h GLN 73 Cb 0.19 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1b3s h GLN 73 CO -0.02 0.53 0.14 0.28 -2.65 0.00 0.00 178.83 177.12 1b3s h VAL 74 N 0.83 1.02 -0.60 2.39 2.07 -1.31 0.88 116.25 121.53 1b3s h VAL 74 Ca 0.33 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1b3s h VAL 74 Cb 0.16 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1b3s h VAL 74 CO -0.17 0.05 0.34 -0.26 0.02 0.00 0.00 177.57 177.55 1b3s h PHE 75 N 0.30 0.62 -0.53 1.57 0.04 -1.04 -0.59 116.94 117.30 1b3s h PHE 75 Ca 0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1b3s h PHE 75 Cb 0.01 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 1b3s h PHE 75 CO -0.08 0.32 0.24 0.00 -0.60 0.00 0.00 178.31 178.18 1b3s h ARG 76 N 0.64 0.76 0.00 1.51 2.47 -0.51 -1.28 114.38 117.97 1b3s h ARG 76 Ca 0.26 -0.10 -0.17 0.00 -1.26 0.00 0.00 59.98 58.71 1b3s h ARG 76 Cb 0.11 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1b3s h ARG 76 CO -0.15 0.61 -0.80 0.93 0.56 0.00 0.00 179.97 181.12 1b3s h GLU 77 N 0.76 0.00 -0.46 0.04 5.08 -0.14 -0.73 114.58 119.12 1b3s h GLU 77 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1b3s h GLU 77 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1b3s h GLU 77 CO -0.02 0.80 -0.19 0.00 -1.00 0.00 0.00 179.01 178.60 1b3s h ALA 78 N 1.20 0.79 -0.06 3.43 0.00 -0.86 0.23 119.26 123.99 1b3s h ALA 78 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1b3s h ALA 78 Cb 1.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1b3s h ALA 78 CO 0.10 0.66 -0.55 -0.22 0.00 0.00 0.00 179.25 179.24 1b3s h LYS 79 N 0.80 0.17 -0.39 0.00 3.64 -1.14 -1.59 116.57 118.06 1b3s h LYS 79 Ca 0.11 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1b3s h LYS 79 Cb 0.74 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1b3s h LYS 79 CO 0.06 0.67 -0.26 0.00 -2.27 0.00 0.00 179.45 177.65 1b3s h ALA 80 N 1.31 0.80 0.00 5.00 0.00 -0.27 -3.07 119.26 123.03 1b3s h ALA 80 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1b3s h ALA 80 Cb 1.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1b3s h ALA 80 CO 0.08 0.65 -0.03 1.49 0.00 0.00 0.00 179.25 181.44 1b3s h GLU 81 N 0.70 0.00 0.00 0.00 4.57 -0.24 -3.45 114.58 116.15 1b3s h GLU 81 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1b3s h GLU 81 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1b3s h GLU 81 CO 0.07 0.03 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 1b3s n GLY 82 N -1.28 0.29 3.77 1.92 0.00 -1.04 -5.08 105.19 103.76 1b3s n GLY 82 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1b3s n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3s s ASP 84 N -0.91 6.72 -0.08 0.00 -1.08 -1.26 -4.43 116.67 115.63 1b3s s ASP 84 Ca 0.54 -2.18 0.03 0.00 -0.52 0.00 0.00 52.55 50.42 1b3s s ASP 84 Cb -0.34 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 1b3s s ASP 84 CO 0.43 -1.08 -0.19 -0.63 0.52 0.00 0.00 175.17 174.22 1b3s s ILE 85 N 2.96 1.68 -0.23 4.11 1.01 -1.26 -0.28 121.20 129.20 1b3s s ILE 85 Ca 0.39 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1b3s s ILE 85 Cb -0.03 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1b3s s ILE 85 CO -0.06 0.47 -0.08 -0.89 0.00 0.00 0.00 174.94 174.38 1b3s s THR 86 N 0.42 2.87 -0.25 2.92 2.01 0.21 -4.95 115.64 118.87 1b3s s THR 86 Ca -0.16 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 1b3s s THR 86 Cb -0.17 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1b3s s THR 86 CO 0.06 0.34 0.13 -0.63 -0.69 0.00 0.00 174.62 173.83 1b3s s ILE 87 N 1.37 4.98 -0.31 1.82 1.01 -1.26 0.05 121.20 128.86 1b3s s ILE 87 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1b3s s ILE 87 Cb -0.15 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1b3s s ILE 87 CO -0.06 0.33 0.05 -0.63 0.00 0.00 0.00 174.94 174.64 1b3s s ILE 88 N 1.31 3.57 -0.32 2.92 1.01 0.59 -4.98 121.20 125.29 1b3s s ILE 88 Ca 0.06 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 1b3s s ILE 88 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1b3s s ILE 88 CO 0.06 -0.03 0.18 -0.76 0.00 0.00 0.00 174.94 174.38 1b3s s LEU 89 N 1.39 4.23 0.00 2.97 1.43 -1.26 -0.40 118.68 127.04 1b3s s LEU 89 Ca -0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1b3s s LEU 89 Cb -0.18 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1b3s s LEU 89 CO 0.01 -0.20 0.13 -1.54 0.23 0.00 0.00 176.35 174.98