#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yju n GLY 2 N 0.00 -0.45 3.81 -5.12 0.00 -1.26 -4.87 105.19 97.30 1yju n GLY 2 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1yju n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yju s ASP 3 N -3.42 5.91 -1.11 1.61 1.11 -1.26 -4.89 116.67 114.63 1yju s ASP 3 Ca 0.61 1.78 -0.21 0.00 0.18 0.00 0.00 52.55 54.92 1yju s ASP 3 Cb -0.32 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.07 1yju s ASP 3 CO 0.86 -1.08 1.92 0.61 1.18 0.00 0.00 175.17 178.67 1yju n GLY 4 N -1.07 2.06 3.76 0.21 0.00 -1.24 -4.91 105.19 103.99 1yju n GLY 4 Ca 0.08 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 1yju n GLY 4 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yju s VAL 5 N 7.37 4.16 -0.36 1.61 -7.23 -1.26 -0.59 120.40 124.10 1yju s VAL 5 Ca 0.61 1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 62.74 1yju s VAL 5 Cb 0.06 -4.25 0.13 0.00 0.56 0.00 0.00 36.38 32.88 1yju s VAL 5 CO 0.10 0.48 0.20 -0.22 -0.31 0.00 0.00 175.10 175.35 1yju s LEU 6 N -1.25 1.35 -0.32 1.32 2.96 0.60 -4.94 118.68 118.40 1yju s LEU 6 Ca 0.40 -2.14 -0.22 0.00 -0.22 0.00 0.00 54.13 51.95 1yju s LEU 6 Cb -0.25 -0.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 1yju s LEU 6 CO 0.30 -0.32 0.74 -0.70 -1.32 0.00 0.00 176.35 175.04 1yju s GLU 7 N 1.07 3.89 -0.01 1.98 2.56 -1.26 -1.00 118.70 125.94 1yju s GLU 7 Ca 0.16 0.43 0.06 0.00 0.00 0.00 0.00 54.97 55.63 1yju s GLU 7 Cb -0.22 -3.75 -0.02 0.00 2.00 0.00 0.00 34.13 32.15 1yju s GLU 7 CO -0.05 -0.68 -0.20 -0.48 -0.56 0.00 0.00 175.26 173.29 1yju s LEU 8 N 2.87 2.06 0.24 2.70 -0.00 -0.23 -1.39 118.68 124.93 1yju s LEU 8 Ca 0.30 -0.38 -0.30 0.00 -0.00 0.00 0.00 54.13 53.75 1yju s LEU 8 Cb -0.14 -1.00 -0.09 0.00 -0.00 0.00 0.00 46.19 44.96 1yju s LEU 8 CO 0.13 0.23 0.95 0.54 -0.00 0.00 0.00 176.35 178.20 1yju s VAL 9 N -0.51 4.04 0.03 1.48 0.11 0.38 -0.57 120.40 125.37 1yju s VAL 9 Ca 0.07 2.06 0.01 0.00 -2.93 0.00 0.00 61.98 61.19 1yju s VAL 9 Cb -0.08 -4.31 -0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1yju s VAL 9 CO -0.00 0.49 -0.06 0.54 -3.33 0.00 0.00 175.10 172.74 1yju s VAL 10 N -1.16 0.35 0.20 2.04 0.11 0.28 -0.16 120.40 122.06 1yju s VAL 10 Ca 0.41 -1.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.33 1yju s VAL 10 Cb -0.26 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1yju s VAL 10 CO 0.32 -0.47 0.29 0.00 -3.33 0.00 0.00 175.10 171.92 1yju s ARG 11 N -1.68 1.28 0.00 1.54 1.70 -1.25 -4.53 118.95 116.00 1yju s ARG 11 Ca -0.11 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 1yju s ARG 11 Cb -0.09 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1yju s ARG 11 CO -0.01 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 1yju n GLY 12 N -0.28 2.23 3.77 3.88 0.00 -1.26 -3.20 105.19 110.34 1yju n GLY 12 Ca -0.03 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1yju n GLY 12 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1yju s MET 13 N 0.00 4.11 0.00 1.61 0.23 -1.26 -4.90 119.30 119.09 1yju s MET 13 Ca 0.00 2.58 0.00 0.00 -1.03 0.00 0.00 55.69 57.24 1yju s MET 13 Cb 0.00 -2.98 0.00 0.00 -1.53 0.00 0.00 34.83 30.32 1yju s MET 13 CO 0.00 -0.56 0.52 -2.37 -2.03 0.00 0.00 175.02 170.58 1yju n THR 14 N 0.83 0.00 -3.58 3.16 5.66 -1.26 -5.01 114.28 114.09 1yju n THR 14 Ca 0.03 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.97 1yju n THR 14 Cb 0.39 0.02 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 1yju n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yju h ALA 16 N 2.02 1.54 0.25 0.00 0.00 -2.01 0.85 119.26 121.92 1yju h ALA 16 Ca -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yju h ALA 16 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yju h ALA 16 CO 0.25 -0.12 -0.12 0.66 0.00 0.00 0.00 179.25 179.91 1yju h SER 17 N 0.66 -0.28 -0.96 0.00 4.64 -1.98 0.81 113.55 116.43 1yju h SER 17 Ca 0.55 0.01 0.30 0.00 -0.47 0.00 0.00 61.79 62.19 1yju h SER 17 Cb 0.89 0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.90 1yju h SER 17 CO -0.41 -0.18 0.39 0.00 -0.87 0.00 0.00 176.83 175.76 1yju n VAL 19 N -5.19 0.00 0.30 0.00 0.31 0.27 -2.87 118.33 111.15 1yju n VAL 19 Ca 0.28 1.31 0.19 0.00 -0.01 0.00 0.00 64.34 66.10 1yju n VAL 19 Cb 0.91 -2.16 0.91 0.00 -0.91 0.00 0.00 33.84 32.59 1yju n VAL 19 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1yju h HIS 20 N 0.00 0.00 -0.30 3.52 2.07 0.08 -0.93 115.15 119.59 1yju h HIS 20 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 1yju h HIS 20 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 1yju h HIS 20 CO -0.07 0.03 0.13 -0.22 -3.07 0.00 0.00 177.93 174.73 1yju h LYS 21 N 0.00 0.28 0.43 5.12 1.63 -0.76 0.13 116.57 123.39 1yju h LYS 21 Ca -0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1yju h LYS 21 Cb 0.27 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1yju h LYS 21 CO 0.00 0.18 -0.21 0.82 -3.45 0.00 0.00 179.45 176.80 1yju h ILE 22 N 0.28 0.57 0.40 2.00 2.04 -1.02 0.14 117.51 121.93 1yju h ILE 22 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1yju h ILE 22 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1yju h ILE 22 CO -0.11 0.00 -0.51 -0.33 0.00 0.00 0.00 178.15 177.20 1yju h GLU 23 N -0.58 -0.91 -0.48 2.37 5.08 -1.45 0.70 114.58 119.32 1yju h GLU 23 Ca -0.06 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1yju h GLU 23 Cb 0.45 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 1yju h GLU 23 CO 0.09 -0.60 -0.05 1.03 -1.00 0.00 0.00 179.01 178.48 1yju h SER 24 N -0.94 -0.30 0.02 1.42 0.87 -0.75 0.82 113.55 114.69 1yju h SER 24 Ca -0.05 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1yju h SER 24 Cb 0.85 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1yju h SER 24 CO -0.12 -0.11 -0.07 -1.28 -0.53 0.00 0.00 176.83 174.72 1yju h SER 25 N 0.07 -0.21 -0.42 6.23 0.87 -0.28 -2.24 113.55 117.56 1yju h SER 25 Ca 0.24 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1yju h SER 25 Cb 0.36 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1yju h SER 25 CO -0.44 -0.11 0.09 -0.07 -0.53 0.00 0.00 176.83 175.77 1yju h LEU 26 N -0.14 0.72 0.00 2.23 3.38 -0.21 0.01 115.31 121.29 1yju h LEU 26 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yju h LEU 26 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yju h LEU 26 CO -0.06 0.73 0.00 0.41 0.09 0.00 0.00 178.44 179.61 1yju n THR 27 N -4.27 0.00 -0.03 0.22 -1.04 0.22 -0.05 114.28 109.33 1yju n THR 27 Ca 0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 1yju n THR 27 Cb 0.24 -0.54 -0.10 0.00 -1.82 0.00 0.00 70.33 68.11 1yju n THR 27 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1yju h LYS 28 N 0.00 0.26 -7.25 -2.82 1.79 -0.70 -3.47 116.57 104.37 1yju h LYS 28 Ca 0.00 -0.22 -0.50 0.00 -2.18 0.00 0.00 60.65 57.75 1yju h LYS 28 Cb 0.00 0.05 0.19 0.00 -1.58 0.00 0.00 32.23 30.89 1yju h LYS 28 CO 0.00 0.88 0.19 -1.01 -1.08 0.00 0.00 179.45 178.43 1yju s HIS 29 N -3.53 1.74 -0.35 -1.35 3.76 0.92 -4.98 115.29 111.50 1yju s HIS 29 Ca -0.15 1.57 0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1yju s HIS 29 Cb 0.03 -3.23 0.02 0.00 1.11 0.00 0.00 32.58 30.51 1yju s HIS 29 CO 0.76 -2.90 0.57 -2.13 -0.85 0.00 0.00 174.74 170.18 1yju n ARG 30 N -4.28 -0.25 0.07 1.40 3.00 -1.26 -4.55 116.66 110.79 1yju n ARG 30 Ca 0.09 -0.64 0.12 0.00 -0.00 0.00 0.00 57.85 57.42 1yju n ARG 30 Cb 0.53 -1.03 0.18 0.00 0.00 0.00 0.00 32.46 32.14 1yju n ARG 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1yju h GLY 31 N 0.57 0.00 -4.79 5.14 0.00 -1.92 -3.45 103.07 98.62 1yju h GLY 31 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1yju h GLY 31 CO 0.00 0.00 -0.24 -0.26 0.00 0.00 0.00 176.54 176.04 1yju s ILE 32 N -3.17 5.08 -0.21 2.60 -5.25 -1.26 -0.93 121.20 118.06 1yju s ILE 32 Ca 0.06 0.61 -0.06 0.00 -0.99 0.00 0.00 60.65 60.27 1yju s ILE 32 Cb 0.13 -3.66 -0.11 0.00 2.95 0.00 0.00 42.46 41.77 1yju s ILE 32 CO 0.71 0.42 -0.24 0.18 -1.79 0.00 0.00 174.94 174.23 1yju n LEU 33 N 1.32 2.15 -4.06 0.37 7.99 0.69 -4.93 117.00 120.53 1yju n LEU 33 Ca -0.11 0.11 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 1yju n LEU 33 Cb 0.52 -0.67 -0.11 0.00 -0.11 0.00 0.00 43.42 43.05 1yju n LEU 33 CO 0.40 0.62 -0.38 -0.47 -1.51 0.00 0.00 177.39 176.05 1yju s TYR 34 N -2.40 0.54 -0.44 -1.77 5.04 -0.09 -4.95 117.35 113.28 1yju s TYR 34 Ca -0.29 -0.71 0.07 0.00 -2.44 0.00 0.00 57.07 53.70 1yju s TYR 34 Cb 0.10 -0.35 0.33 0.00 0.35 0.00 0.00 41.96 42.39 1yju s TYR 34 CO 0.42 -0.20 1.05 0.00 -1.34 0.00 0.00 175.55 175.49 1yju s SER 36 N -1.50 6.30 -0.82 0.00 0.01 0.35 -4.47 113.70 113.57 1yju s SER 36 Ca 0.25 -0.51 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 1yju s SER 36 Cb 0.31 -2.43 0.14 0.00 0.21 0.00 0.00 66.02 64.25 1yju s SER 36 CO -0.06 -1.25 0.95 0.54 0.41 0.00 0.00 173.24 173.83 1yju s VAL 37 N 3.91 4.90 -0.96 3.43 0.11 -1.26 -0.56 120.40 129.97 1yju s VAL 37 Ca 0.28 -1.54 -0.21 0.00 -2.93 0.00 0.00 61.98 57.58 1yju s VAL 37 Cb -0.14 -4.65 0.09 0.00 -1.53 0.00 0.00 36.38 30.15 1yju s VAL 37 CO 0.17 -1.33 1.28 0.00 -3.33 0.00 0.00 175.10 171.89 1yju s ALA 38 N 2.27 3.03 0.40 1.54 0.00 0.47 -4.83 121.76 124.63 1yju s ALA 38 Ca 0.24 -2.45 0.23 0.00 0.00 0.00 0.00 51.96 49.98 1yju s ALA 38 Cb -0.11 -4.28 1.26 0.00 0.00 0.00 0.00 23.12 20.00 1yju s ALA 38 CO -0.04 -3.29 1.66 1.25 0.00 0.00 0.00 175.76 175.34 1yju h LEU 39 N 11.65 0.36 -1.79 0.00 6.46 -1.94 0.10 115.31 130.16 1yju h LEU 39 Ca 0.15 0.15 0.24 0.00 -0.12 0.00 0.00 57.88 58.30 1yju h LEU 39 Cb 1.02 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.01 1yju h LEU 39 CO 1.27 -0.13 0.63 0.00 -0.62 0.00 0.00 178.44 179.59 1yju h ALA 40 N 1.69 2.59 0.00 1.25 0.00 -1.94 0.66 119.26 123.51 1yju h ALA 40 Ca 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1yju h ALA 40 Cb 2.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1yju h ALA 40 CO -0.46 -0.86 -0.01 -2.37 0.00 0.00 0.00 179.25 175.54 1yju n THR 41 N -4.38 1.43 -3.97 0.00 5.66 0.22 -5.01 114.28 108.22 1yju n THR 41 Ca 0.19 -1.62 -0.26 0.00 -3.05 0.00 0.00 64.05 59.31 1yju n THR 41 Cb 0.87 0.12 -0.07 0.00 -1.55 0.00 0.00 70.33 69.70 1yju n THR 41 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1yju n ASN 42 N -0.97 0.53 -3.90 1.09 4.13 0.22 -4.89 115.26 111.47 1yju n ASN 42 Ca 0.08 -1.04 -0.11 0.00 1.68 0.00 0.00 54.58 55.20 1yju n ASN 42 Cb 0.47 -1.28 -0.13 0.00 -1.54 0.00 0.00 39.78 37.30 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1yju s LYS 43 N -6.57 0.14 -0.29 3.52 2.36 -1.09 -0.56 119.74 117.24 1yju s LYS 43 Ca 0.02 -0.18 -0.13 0.00 -2.55 0.00 0.00 55.97 53.14 1yju s LYS 43 Cb -0.01 0.05 -0.04 0.00 -1.05 0.00 0.00 37.83 36.78 1yju s LYS 43 CO 0.81 -0.02 0.25 0.00 1.55 0.00 0.00 175.35 177.94 1yju s ALA 44 N -0.51 3.53 -0.79 3.13 0.00 0.27 -0.40 121.76 126.98 1yju s ALA 44 Ca -0.06 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 1yju s ALA 44 Cb -0.04 -2.59 0.09 0.00 0.00 0.00 0.00 23.12 20.58 1yju s ALA 44 CO -0.00 -0.70 1.09 -1.58 0.00 0.00 0.00 175.76 174.57 1yju s HIS 45 N 1.84 2.79 0.01 0.00 2.46 0.28 -1.07 115.29 121.60 1yju s HIS 45 Ca 0.09 -0.84 -0.14 0.00 0.47 0.00 0.00 55.06 54.64 1yju s HIS 45 Cb -0.16 -4.35 -0.06 0.00 -0.13 0.00 0.00 32.58 27.88 1yju s HIS 45 CO 0.11 -1.65 0.41 0.42 -2.47 0.00 0.00 174.74 171.56 1yju s ILE 46 N 3.77 5.04 -0.05 0.89 1.01 -0.17 -0.49 121.20 131.20 1yju s ILE 46 Ca 0.29 0.77 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1yju s ILE 46 Cb -0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1yju s ILE 46 CO 0.02 0.53 -0.23 -0.54 0.00 0.00 0.00 174.94 174.72 1yju s LYS 47 N -1.22 2.49 0.30 2.79 1.02 -0.03 -0.29 119.74 124.81 1yju s LYS 47 Ca 0.25 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 1yju s LYS 47 Cb -0.16 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1yju s LYS 47 CO 0.14 0.45 0.60 1.52 -0.92 0.00 0.00 175.35 177.14 1yju s TYR 48 N -0.33 0.33 -0.24 3.18 1.13 0.24 -0.22 117.35 121.44 1yju s TYR 48 Ca 0.02 -0.76 -0.03 0.00 -1.41 0.00 0.00 57.07 54.88 1yju s TYR 48 Cb -0.12 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1yju s TYR 48 CO 0.02 -1.21 -0.04 0.34 -2.51 0.00 0.00 175.55 172.15 1yju s ASP 49 N -3.05 4.33 0.28 -0.18 2.15 -0.10 -3.66 116.67 116.43 1yju s ASP 49 Ca 0.20 -0.64 0.02 0.00 0.43 0.00 0.00 52.55 52.56 1yju s ASP 49 Cb -0.03 -1.71 0.57 0.00 -0.30 0.00 0.00 42.92 41.45 1yju s ASP 49 CO 0.11 -0.08 1.83 1.55 -0.17 0.00 0.00 175.17 178.41 1yju h PRO 50 N 8.08 0.94 0.00 4.34 0.13 -1.92 -2.86 132.00 140.71 1yju h PRO 50 Ca -0.37 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1yju h PRO 50 Cb 1.13 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1yju h PRO 50 CO 0.59 0.62 0.00 0.39 -0.23 0.00 0.00 178.00 179.38 1yju n GLU 51 N -4.64 0.10 -0.02 0.86 -0.58 -1.26 0.02 120.64 115.12 1yju n GLU 51 Ca 0.19 0.40 0.01 0.00 -0.42 0.00 0.00 57.16 57.35 1yju n GLU 51 Cb 0.37 -1.72 0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1yju n GLU 51 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1yju n ILE 52 N -1.92 0.62 0.00 -3.67 -5.35 -1.09 -4.90 119.36 103.06 1yju n ILE 52 Ca 0.02 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1yju n ILE 52 Cb 0.16 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1yju n ILE 52 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yju n ILE 53 N -0.12 0.00 -0.49 7.28 3.06 -0.37 -4.51 119.36 124.21 1yju n ILE 53 Ca 0.02 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.33 1yju n ILE 53 Cb 0.20 -0.02 -0.03 0.00 0.54 0.00 0.00 39.64 40.34 1yju n ILE 53 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1yju n GLY 54 N -1.11 -2.91 0.28 4.50 0.00 0.10 -4.15 105.19 101.91 1yju n GLY 54 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1yju n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yju h PRO 55 N -0.44 0.55 -0.63 1.61 0.13 -1.95 -3.23 132.00 128.03 1yju h PRO 55 Ca -0.06 -0.10 0.11 0.00 -0.87 0.00 0.00 66.00 65.08 1yju h PRO 55 Cb 0.46 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 31.41 1yju h PRO 55 CO 0.02 0.53 0.18 0.00 -0.23 0.00 0.00 178.00 178.51 1yju h ARG 56 N 0.53 0.31 -0.15 0.86 3.08 -1.99 0.52 114.38 117.54 1yju h ARG 56 Ca 0.12 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1yju h ARG 56 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1yju h ARG 56 CO 0.00 0.21 -0.57 0.22 -1.07 0.00 0.00 179.97 178.76 1yju h ASP 57 N 0.32 0.52 -0.36 7.04 3.58 -1.71 0.11 116.42 125.92 1yju h ASP 57 Ca 0.33 -0.29 0.03 0.00 0.42 0.00 0.00 57.03 57.52 1yju h ASP 57 Cb 0.48 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1yju h ASP 57 CO -0.39 0.98 0.17 0.40 -2.88 0.00 0.00 179.24 177.53 1yju h ILE 58 N 0.35 0.98 -0.24 2.25 2.04 -1.48 -0.14 117.51 121.26 1yju h ILE 58 Ca 0.00 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1yju h ILE 58 Cb 1.10 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1yju h ILE 58 CO 0.10 0.07 0.08 0.40 0.00 0.00 0.00 178.15 178.79 1yju h ILE 59 N 0.36 0.93 -0.67 -0.67 2.04 -0.62 -0.80 117.51 118.08 1yju h ILE 59 Ca 0.15 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 66.08 1yju h ILE 59 Cb 0.06 0.73 -0.12 0.00 -0.74 0.00 0.00 36.82 36.75 1yju h ILE 59 CO -0.11 0.03 -0.12 0.45 0.00 0.00 0.00 178.15 178.40 1yju h HIS 60 N 0.18 -0.27 0.53 1.37 3.86 -0.15 0.44 115.15 121.11 1yju h HIS 60 Ca 0.11 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1yju h HIS 60 Cb 0.08 0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1yju h HIS 60 CO -0.13 -0.26 -0.29 1.15 0.86 0.00 0.00 177.93 179.25 1yju h THR 61 N 0.03 0.41 -0.35 2.45 2.02 0.04 0.23 112.91 117.73 1yju h THR 61 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1yju h THR 61 Cb 0.52 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1yju h THR 61 CO -0.66 0.00 0.13 0.40 0.37 0.00 0.00 175.52 175.76 1yju h ILE 62 N -0.76 1.20 0.43 3.11 2.04 -0.48 -0.23 117.51 122.82 1yju h ILE 62 Ca -0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1yju h ILE 62 Cb 0.60 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1yju h ILE 62 CO 0.09 0.22 -0.21 -0.33 0.00 0.00 0.00 178.15 177.92 1yju h GLU 63 N 0.42 -0.55 0.00 2.37 5.08 -0.83 -1.14 114.58 119.93 1yju h GLU 63 Ca 0.12 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1yju h GLU 63 Cb 0.21 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1yju h GLU 63 CO -0.01 -0.32 -0.02 1.03 -1.00 0.00 0.00 179.01 178.70 1yju h SER 64 N -0.67 0.00 0.00 1.42 0.87 -0.22 -2.72 113.55 112.24 1yju h SER 64 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1yju h SER 64 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1yju h SER 64 CO 0.10 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 1yju n LEU 65 N -3.17 0.36 -0.40 2.23 4.77 -0.12 -4.97 117.00 115.69 1yju n LEU 65 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1yju n LEU 65 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1yju n LEU 65 CO 0.24 0.00 0.20 0.61 -1.33 0.00 0.00 177.39 177.11 1yju n GLY 66 N 0.73 0.98 3.10 -0.72 0.00 -1.03 -5.11 105.19 103.14 1yju n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1yju n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yju s PHE 67 N 0.00 2.43 -1.09 1.61 0.08 -0.44 -4.79 117.98 115.78 1yju s PHE 67 Ca 0.00 -1.29 -0.22 0.00 0.12 0.00 0.00 56.93 55.54 1yju s PHE 67 Cb 0.00 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1yju s PHE 67 CO 0.00 -0.64 1.59 -1.21 -0.10 0.00 0.00 175.22 174.86 1yju s GLU 68 N 1.11 3.57 0.73 0.44 2.02 -1.19 -2.99 118.70 122.38 1yju s GLU 68 Ca -0.02 -1.30 -0.11 0.00 0.02 0.00 0.00 54.97 53.56 1yju s GLU 68 Cb -0.14 -5.38 0.03 0.00 0.10 0.00 0.00 34.13 28.73 1yju s GLU 68 CO -0.06 -2.39 1.08 0.00 0.02 0.00 0.00 175.26 173.91 1yju s ALA 69 N 5.43 2.64 -0.28 5.21 0.00 -1.26 -3.93 121.76 129.56 1yju s ALA 69 Ca 0.51 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1yju s ALA 69 Cb 0.01 -3.09 0.17 0.00 0.00 0.00 0.00 23.12 20.20 1yju s ALA 69 CO -0.03 -1.32 0.47 -1.12 0.00 0.00 0.00 175.76 173.76 1yju s SER 70 N -4.05 -0.32 0.13 0.00 0.01 0.77 -4.97 113.70 105.26 1yju s SER 70 Ca 0.59 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.64 1yju s SER 70 Cb -0.13 1.46 -0.10 0.00 0.21 0.00 0.00 66.02 67.46 1yju s SER 70 CO 0.54 -0.31 1.74 -1.48 0.41 0.00 0.00 173.24 174.13 1yju s LEU 71 N 2.65 4.38 -0.36 2.44 2.34 -1.26 -0.47 118.68 128.41 1yju s LEU 71 Ca 0.13 2.69 -0.12 0.00 0.06 0.00 0.00 54.13 56.88 1yju s LEU 71 Cb -0.13 -3.57 0.00 0.00 -0.56 0.00 0.00 46.19 41.93 1yju s LEU 71 CO -0.24 -0.95 0.23 0.68 -1.06 0.00 0.00 176.35 175.01 1yju s VAL 72 N 2.31 4.99 -1.01 1.48 -7.23 -0.48 -4.88 120.40 115.58 1yju s VAL 72 Ca 0.77 -0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.23 1yju s VAL 72 Cb -0.45 -3.65 -0.12 0.00 0.56 0.00 0.00 36.38 32.72 1yju s VAL 72 CO 0.34 -0.10 1.92 0.29 -0.31 0.00 0.00 175.10 177.24 1yju n LYS 73 N 5.07 1.55 -2.21 4.82 4.76 -1.26 -4.79 118.16 126.10 1yju n LYS 73 Ca -0.12 -2.21 -0.32 0.00 -2.87 0.00 0.00 58.31 52.79 1yju n LYS 73 Cb 0.48 -3.39 -0.04 0.00 -1.84 0.00 0.00 35.03 30.23 1yju n LYS 73 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yju s ILE 74 N 8.59 3.59 0.00 -0.18 1.01 -1.26 -5.25 121.20 127.69 1yju s ILE 74 Ca 0.64 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1yju s ILE 74 Cb 0.06 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1yju s ILE 74 CO 0.13 -1.25 0.00 -0.62 0.00 0.00 0.00 174.94 173.20