#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 0.99 3.27 -5.12 0.00 -1.26 -4.81 105.19 98.26 1yju n GLY 2 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 -1.25 -1.13 1.61 1.11 -1.26 -4.84 116.67 106.91 1yju s ASP 3 Ca 0.00 0.93 -0.21 0.00 0.18 0.00 0.00 52.55 53.45 1yju s ASP 3 Cb 0.00 -1.34 -0.07 0.00 1.07 0.00 0.00 42.92 42.58 1yju s ASP 3 CO 0.00 -5.49 1.91 0.61 1.18 0.00 0.00 175.17 173.38 1yju n GLY 4 N 1.70 1.82 3.75 0.21 0.00 -1.24 -4.95 105.19 106.47 1yju n GLY 4 Ca 0.12 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1yju n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yju s VAL 5 N 8.08 3.84 -0.37 1.61 0.11 -1.26 -0.63 120.40 131.78 1yju s VAL 5 Ca 0.62 1.74 0.02 0.00 -2.93 0.00 0.00 61.98 61.43 1yju s VAL 5 Cb 0.04 -4.11 0.15 0.00 -1.53 0.00 0.00 36.38 30.93 1yju s VAL 5 CO 0.11 0.37 0.28 -0.22 -3.33 0.00 0.00 175.10 172.31 1yju s LEU 6 N -0.96 0.72 -0.21 2.54 2.96 0.77 -4.93 118.68 119.57 1yju s LEU 6 Ca 0.45 -2.15 -0.27 0.00 -0.22 0.00 0.00 54.13 51.94 1yju s LEU 6 Cb -0.29 -0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.29 1yju s LEU 6 CO 0.36 -0.27 0.92 -0.70 -1.32 0.00 0.00 176.35 175.34 1yju s GLU 7 N 1.01 4.26 -0.02 1.98 2.56 -1.26 -1.16 118.70 126.07 1yju s GLU 7 Ca 0.20 1.15 0.04 0.00 0.00 0.00 0.00 54.97 56.36 1yju s GLU 7 Cb -0.17 -3.62 -0.01 0.00 2.00 0.00 0.00 34.13 32.34 1yju s GLU 7 CO -0.03 -0.50 -0.14 -0.48 -0.56 0.00 0.00 175.26 173.55 1yju s LEU 8 N 2.75 1.94 0.36 2.70 0.05 -0.41 -1.05 118.68 125.02 1yju s LEU 8 Ca 0.40 -0.27 -0.25 0.00 0.05 0.00 0.00 54.13 54.06 1yju s LEU 8 Cb -0.16 -0.77 -0.10 0.00 -2.05 0.00 0.00 46.19 43.11 1yju s LEU 8 CO 0.09 0.15 0.98 -0.69 -0.55 0.00 0.00 176.35 176.33 1yju s VAL 9 N -0.11 4.08 0.15 1.48 1.01 0.81 -0.51 120.40 127.31 1yju s VAL 9 Ca 0.01 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1yju s VAL 9 Cb -0.08 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1yju s VAL 9 CO 0.00 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.27 1yju s VAL 10 N -1.72 1.68 -0.06 2.92 1.01 0.23 -0.42 120.40 124.04 1yju s VAL 10 Ca 0.55 -1.87 0.03 0.00 0.00 0.00 0.00 61.98 60.69 1yju s VAL 10 Cb -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1yju s VAL 10 CO 0.23 -0.35 -0.16 -0.13 0.00 0.00 0.00 175.10 174.69 1yju s ARG 11 N -2.79 1.91 0.00 2.72 3.00 0.77 -4.60 118.95 119.95 1yju s ARG 11 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 55.73 55.30 1yju s ARG 11 Cb -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 34.95 33.31 1yju s ARG 11 CO 0.06 0.15 0.00 0.41 0.00 0.00 0.00 175.30 175.92 1yju n GLY 12 N 3.44 0.92 3.47 -3.53 0.00 -1.26 -2.27 105.19 105.96 1yju n GLY 12 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1yju n GLY 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yju n MET 13 N -0.58 1.96 0.00 1.61 2.81 -1.26 -4.65 117.12 117.02 1yju n MET 13 Ca 0.00 -2.54 0.12 0.00 -1.81 0.00 0.00 57.70 53.47 1yju n MET 13 Cb 0.00 -3.54 0.13 0.00 -0.71 0.00 0.00 33.22 29.11 1yju n MET 13 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1yju n THR 14 N 7.12 0.00 -3.59 2.03 5.66 -1.26 -4.83 114.28 119.41 1yju n THR 14 Ca 0.47 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 1yju n THR 14 Cb 0.45 1.08 -0.06 0.00 -1.55 0.00 0.00 70.33 70.24 1yju n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yju n ALA 16 N 1.72 1.07 -0.94 0.00 0.00 -1.26 -1.47 120.51 119.64 1yju n ALA 16 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1yju n ALA 16 Cb 0.56 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1yju n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yju n SER 17 N -4.60 0.00 -0.30 0.00 3.41 -1.26 -0.60 113.62 110.27 1yju n SER 17 Ca 0.34 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.52 1yju n SER 17 Cb 1.26 -0.03 0.13 0.00 -0.26 0.00 0.00 64.21 65.31 1yju n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yju h VAL 19 N 0.01 0.00 0.00 0.00 2.07 -1.30 -1.90 116.25 115.13 1yju h VAL 19 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1yju h VAL 19 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1yju h VAL 19 CO -0.86 0.00 0.00 1.12 0.02 0.00 0.00 177.57 177.85 1yju h HIS 20 N -0.04 0.00 -0.28 1.57 2.07 0.31 -3.02 115.15 115.77 1yju h HIS 20 Ca 0.01 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 1yju h HIS 20 Cb 0.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 1yju h HIS 20 CO -0.61 0.00 -0.33 -0.22 -3.07 0.00 0.00 177.93 173.69 1yju h LYS 21 N 0.00 0.71 0.11 5.12 1.63 0.20 0.21 116.57 124.55 1yju h LYS 21 Ca 0.00 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1yju h LYS 21 Cb 0.45 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1yju h LYS 21 CO 0.00 1.02 -0.43 0.82 -3.45 0.00 0.00 179.45 177.41 1yju h ILE 22 N 0.45 0.00 0.35 2.00 2.04 -1.23 0.22 117.51 121.35 1yju h ILE 22 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1yju h ILE 22 Cb 0.92 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1yju h ILE 22 CO 0.08 0.00 -0.22 1.05 0.00 0.00 0.00 178.15 179.06 1yju h GLU 23 N -0.62 -0.54 -0.60 2.37 4.11 -1.61 0.13 114.58 117.82 1yju h GLU 23 Ca -0.01 0.04 0.16 0.00 0.07 0.00 0.00 59.36 59.62 1yju h GLU 23 Cb 0.62 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1yju h GLU 23 CO -0.23 -0.36 0.43 1.03 0.07 0.00 0.00 179.01 179.95 1yju h SER 24 N -0.56 0.09 0.03 3.06 0.87 -0.51 0.86 113.55 117.40 1yju h SER 24 Ca -0.04 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1yju h SER 24 Cb 0.46 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1yju h SER 24 CO 0.03 0.05 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.09 1yju h SER 25 N 0.10 -0.04 -0.60 6.23 0.87 -0.09 -3.39 113.55 116.63 1yju h SER 25 Ca 0.29 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.97 1yju h SER 25 Cb 1.02 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.89 1yju h SER 25 CO -0.03 -0.01 0.08 -0.07 -0.53 0.00 0.00 176.83 176.27 1yju h LEU 26 N -0.08 -0.10 -1.58 2.23 4.07 0.18 -0.52 115.31 119.49 1yju h LEU 26 Ca -0.00 0.13 0.36 0.00 0.08 0.00 0.00 57.88 58.44 1yju h LEU 26 Cb 0.03 0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.88 1yju h LEU 26 CO 0.01 -0.04 0.83 0.71 -1.08 0.00 0.00 178.44 178.86 1yju h THR 27 N 0.20 0.34 0.00 0.22 1.35 -1.09 0.07 112.91 114.00 1yju h THR 27 Ca 0.32 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 66.11 1yju h THR 27 Cb 0.50 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1yju h THR 27 CO -0.45 0.03 -0.04 0.11 -0.25 0.00 0.00 175.52 174.92 1yju h LYS 28 N 0.17 0.00 0.00 4.72 1.79 -1.28 -0.78 116.57 121.19 1yju h LYS 28 Ca 0.68 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 59.11 1yju h LYS 28 Cb 2.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.82 1yju h LYS 28 CO -0.24 0.04 -0.21 0.45 -1.08 0.00 0.00 179.45 178.41 1yju h HIS 29 N 0.00 0.00 0.00 -1.35 3.86 -1.14 -3.46 115.15 113.06 1yju h HIS 29 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yju h HIS 29 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1yju h HIS 29 CO 0.00 0.21 0.00 0.54 0.86 0.00 0.00 177.93 179.54 1yju n ARG 30 N -4.26 0.00 -0.92 2.45 1.74 -0.30 -4.81 116.66 110.56 1yju n ARG 30 Ca -0.02 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.87 1yju n ARG 30 Cb 0.27 -3.60 0.11 0.00 -1.02 0.00 0.00 32.46 28.22 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yju n GLY 31 N -2.00 4.05 2.77 -0.13 0.00 -1.26 -4.85 105.19 103.77 1yju n GLY 31 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1yju n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yju s ILE 32 N -2.59 0.10 -0.11 -0.61 1.01 -1.26 -1.30 121.20 116.44 1yju s ILE 32 Ca 0.41 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 1yju s ILE 32 Cb 0.34 -0.24 -0.25 0.00 0.01 0.00 0.00 42.46 42.32 1yju s ILE 32 CO 0.05 0.16 0.42 0.18 0.00 0.00 0.00 174.94 175.75 1yju n LEU 33 N 4.51 2.23 -3.86 2.97 4.77 0.90 -4.97 117.00 123.55 1yju n LEU 33 Ca -0.20 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1yju n LEU 33 Cb 0.50 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 1yju n LEU 33 CO 0.18 0.75 -0.17 -0.47 -1.33 0.00 0.00 177.39 176.34 1yju s TYR 34 N -2.57 0.01 -0.47 -1.77 5.04 -0.39 -4.94 117.35 112.26 1yju s TYR 34 Ca -0.18 -0.05 0.06 0.00 -2.44 0.00 0.00 57.07 54.46 1yju s TYR 34 Cb 0.07 -0.03 0.26 0.00 0.35 0.00 0.00 41.96 42.60 1yju s TYR 34 CO 0.78 -0.26 0.88 0.00 -1.34 0.00 0.00 175.55 175.61 1yju s SER 36 N -1.59 6.46 -0.38 0.00 0.01 0.38 -4.65 113.70 113.93 1yju s SER 36 Ca 0.31 0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 1yju s SER 36 Cb 0.24 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 64.01 1yju s SER 36 CO -0.20 -1.13 0.47 -0.69 0.41 0.00 0.00 173.24 172.10 1yju s VAL 37 N 3.91 5.05 -0.41 3.43 1.01 -1.26 -0.72 120.40 131.41 1yju s VAL 37 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1yju s VAL 37 Cb -0.10 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1yju s VAL 37 CO 0.25 -0.30 0.16 0.00 0.00 0.00 0.00 175.10 175.21 1yju s ALA 38 N 2.28 3.10 0.28 5.51 0.00 0.33 -4.82 121.76 128.43 1yju s ALA 38 Ca 0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 51.96 49.46 1yju s ALA 38 Cb -0.16 -2.23 0.64 0.00 0.00 0.00 0.00 23.12 21.37 1yju s ALA 38 CO 0.14 -1.80 1.47 -0.11 0.00 0.00 0.00 175.76 175.46 1yju n LEU 39 N 4.25 -0.17 0.21 0.00 0.00 -1.26 -1.51 117.00 118.53 1yju n LEU 39 Ca 0.02 1.60 0.12 0.00 0.00 0.00 0.00 56.01 57.74 1yju n LEU 39 Cb 0.41 -0.56 0.70 0.00 0.00 0.00 0.00 43.42 43.97 1yju n LEU 39 CO 0.29 -1.60 1.10 0.00 0.00 0.00 0.00 177.39 177.18 1yju h ALA 40 N 1.88 2.02 -0.11 1.96 0.00 -1.93 0.41 119.26 123.49 1yju h ALA 40 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1yju h ALA 40 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yju h ALA 40 CO -0.90 -0.14 0.00 -2.37 0.00 0.00 0.00 179.25 175.83 1yju n THR 41 N -4.37 1.06 -3.92 0.00 5.66 -0.57 -5.02 114.28 107.12 1yju n THR 41 Ca -0.00 -1.07 -0.27 0.00 -3.05 0.00 0.00 64.05 59.66 1yju n THR 41 Cb 0.20 0.45 0.01 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.24 -2.20 -3.80 1.09 3.02 0.13 -4.87 115.26 108.39 1yju n ASN 42 Ca 0.05 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.73 1yju n ASN 42 Cb 0.33 -0.89 -0.08 0.00 -0.61 0.00 0.00 39.78 38.52 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1yju s LYS 43 N -6.39 0.69 -0.27 3.52 2.36 -1.16 -0.60 119.74 117.89 1yju s LYS 43 Ca 0.27 -0.44 -0.07 0.00 -2.55 0.00 0.00 55.97 53.18 1yju s LYS 43 Cb -0.15 0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 36.91 1yju s LYS 43 CO 0.56 -0.20 0.08 0.00 1.55 0.00 0.00 175.35 177.34 1yju s ALA 44 N -2.05 3.15 -0.83 3.13 0.00 0.33 -0.52 121.76 124.98 1yju s ALA 44 Ca -0.09 -1.24 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 1yju s ALA 44 Cb -0.03 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.00 1yju s ALA 44 CO -0.01 -0.65 1.30 -1.58 0.00 0.00 0.00 175.76 174.82 1yju s HIS 45 N 1.59 2.43 -0.06 0.00 2.46 0.10 -1.29 115.29 120.51 1yju s HIS 45 Ca 0.05 -0.39 -0.09 0.00 0.47 0.00 0.00 55.06 55.10 1yju s HIS 45 Cb -0.16 -4.61 -0.05 0.00 -0.13 0.00 0.00 32.58 27.64 1yju s HIS 45 CO 0.04 -1.97 0.23 0.42 -2.47 0.00 0.00 174.74 170.99 1yju s ILE 46 N 5.23 5.35 -0.15 0.89 1.01 -0.31 -0.47 121.20 132.75 1yju s ILE 46 Ca 0.37 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.37 1yju s ILE 46 Cb -0.06 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.91 1yju s ILE 46 CO 0.06 0.54 -0.17 -0.54 0.00 0.00 0.00 174.94 174.83 1yju s LYS 47 N -1.23 2.56 0.21 2.79 1.02 0.44 -0.17 119.74 125.36 1yju s LYS 47 Ca 0.20 -0.67 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 1yju s LYS 47 Cb -0.13 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1yju s LYS 47 CO 0.09 -0.16 0.10 1.52 -0.92 0.00 0.00 175.35 175.99 1yju s TYR 48 N 1.24 1.27 -0.46 3.18 1.13 0.19 -0.07 117.35 123.83 1yju s TYR 48 Ca 0.01 -1.28 -0.08 0.00 -1.41 0.00 0.00 57.07 54.31 1yju s TYR 48 Cb -0.14 -0.68 0.12 0.00 -1.10 0.00 0.00 41.96 40.16 1yju s TYR 48 CO -0.08 -0.50 0.32 -0.51 -2.51 0.00 0.00 175.55 172.27 1yju s ASP 49 N -3.20 5.62 0.00 -0.18 1.01 -0.42 -3.65 116.67 115.85 1yju s ASP 49 Ca 0.36 -1.95 -0.04 0.00 0.71 0.00 0.00 52.55 51.64 1yju s ASP 49 Cb 0.07 -1.98 -0.17 0.00 1.01 0.00 0.00 42.92 41.85 1yju s ASP 49 CO 0.11 -0.67 2.70 -0.81 0.21 0.00 0.00 175.17 176.71 1yju n PRO 50 N 4.83 1.42 -0.35 8.23 -0.04 -1.26 -2.91 135.00 144.92 1yju n PRO 50 Ca -0.07 -0.64 0.01 0.00 -0.04 0.00 0.00 63.50 62.77 1yju n PRO 50 Cb 0.41 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1yju n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yju n GLU 51 N 2.42 0.23 0.14 0.54 0.28 -1.26 -4.91 120.64 118.09 1yju n GLU 51 Ca 0.27 -1.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.17 1yju n GLU 51 Cb 0.66 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 32.90 1yju n GLU 51 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1yju n ILE 52 N -0.18 0.00 -3.65 3.84 0.00 -1.15 -5.11 119.36 113.12 1yju n ILE 52 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 62.75 62.41 1yju n ILE 52 Cb 0.65 -0.15 -0.06 0.00 0.00 0.00 0.00 39.64 40.08 1yju n ILE 52 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1yju s ILE 53 N -2.00 5.19 0.21 9.51 1.01 -1.20 -5.08 121.20 128.84 1yju s ILE 53 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 1yju s ILE 53 Cb 0.00 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 1yju s ILE 53 CO 0.00 0.45 0.48 -0.83 0.00 0.00 0.00 174.94 175.04 1yju s GLY 54 N -1.43 2.15 0.23 6.18 0.00 -1.26 -4.36 107.32 108.83 1yju s GLY 54 Ca 0.26 -0.46 -0.05 0.00 0.00 0.00 0.00 44.72 44.47 1yju s GLY 54 CO 0.14 -0.35 1.74 -0.56 0.00 0.00 0.00 173.10 174.07 1yju h PRO 55 N 2.42 0.98 -0.78 2.90 0.13 -1.99 -2.34 132.00 133.32 1yju h PRO 55 Ca -0.47 -0.25 0.16 0.00 -0.87 0.00 0.00 66.00 64.58 1yju h PRO 55 Cb 1.17 -0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1yju h PRO 55 CO 0.70 0.91 0.28 0.00 -0.23 0.00 0.00 178.00 179.65 1yju h ARG 56 N 0.92 0.37 -0.21 0.86 3.08 -1.98 -0.59 114.38 116.82 1yju h ARG 56 Ca 0.19 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1yju h ARG 56 Cb 0.40 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1yju h ARG 56 CO 0.01 0.24 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.46 1yju h ASP 57 N 0.38 -0.81 0.40 7.04 5.19 -1.83 0.19 116.42 126.98 1yju h ASP 57 Ca 0.44 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.97 1yju h ASP 57 Cb 0.74 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1yju h ASP 57 CO -0.46 -0.29 -0.19 0.40 -3.12 0.00 0.00 179.24 175.57 1yju h ILE 58 N -0.28 0.61 -0.37 0.35 2.04 -1.34 0.42 117.51 118.95 1yju h ILE 58 Ca 0.13 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.83 1yju h ILE 58 Cb 0.47 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 1yju h ILE 58 CO -0.37 0.04 -0.24 0.40 0.00 0.00 0.00 178.15 177.98 1yju h ILE 59 N -0.67 0.36 -0.42 -0.67 2.04 -0.77 0.17 117.51 117.56 1yju h ILE 59 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1yju h ILE 59 Cb 0.48 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1yju h ILE 59 CO 0.09 0.00 0.15 -0.74 0.00 0.00 0.00 178.15 177.65 1yju h HIS 60 N -0.18 0.26 -0.44 1.37 2.76 -0.57 -0.16 115.15 118.18 1yju h HIS 60 Ca 0.18 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1yju h HIS 60 Cb 0.46 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1yju h HIS 60 CO -0.45 0.10 0.25 1.15 -1.30 0.00 0.00 177.93 177.67 1yju h THR 61 N 0.31 1.01 0.22 6.26 2.02 0.88 0.15 112.91 123.77 1yju h THR 61 Ca 0.19 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1yju h THR 61 Cb 0.18 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1yju h THR 61 CO -0.20 0.09 -0.26 0.40 0.37 0.00 0.00 175.52 175.92 1yju h ILE 62 N 0.49 0.00 -0.42 3.11 2.04 -0.04 -2.15 117.51 120.56 1yju h ILE 62 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1yju h ILE 62 Cb 0.05 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.08 1yju h ILE 62 CO -0.10 0.00 0.09 -0.33 0.00 0.00 0.00 178.15 177.81 1yju h GLU 63 N -0.50 0.22 -0.00 2.37 5.08 -0.89 -1.01 114.58 119.85 1yju h GLU 63 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1yju h GLU 63 Cb 0.44 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1yju h GLU 63 CO -0.05 0.14 0.08 1.03 -1.00 0.00 0.00 179.01 179.21 1yju h SER 64 N 0.22 0.00 0.00 1.42 0.87 -0.62 -1.08 113.55 114.36 1yju h SER 64 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1yju h SER 64 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1yju h SER 64 CO -0.26 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.22 1yju n LEU 65 N -3.08 0.79 -1.93 2.23 4.77 -0.38 -4.91 117.00 114.49 1yju n LEU 65 Ca -0.03 0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 56.39 1yju n LEU 65 Cb 0.14 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1yju n LEU 65 CO 0.19 -0.18 0.50 0.61 -1.33 0.00 0.00 177.39 177.18 1yju n GLY 66 N 0.56 1.37 3.48 -0.72 0.00 -1.05 -5.14 105.19 103.68 1yju n GLY 66 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 0.04 1.81 0.06 1.61 0.08 -0.43 -4.87 117.98 116.28 1yju s PHE 67 Ca 0.05 -1.19 0.09 0.00 0.12 0.00 0.00 56.93 56.00 1yju s PHE 67 Cb 0.25 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 1yju s PHE 67 CO -0.07 -0.22 -0.23 -2.00 -0.10 0.00 0.00 175.22 172.60 1yju s GLU 68 N -3.79 1.86 0.10 0.44 2.12 -0.96 -4.36 118.70 114.10 1yju s GLU 68 Ca 0.28 -1.09 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 1yju s GLU 68 Cb 0.05 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 1yju s GLU 68 CO 0.15 0.51 0.06 0.00 -0.54 0.00 0.00 175.26 175.44 1yju s ALA 69 N -0.90 0.52 -0.27 6.30 0.00 -1.26 -0.16 121.76 125.99 1yju s ALA 69 Ca 0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 1yju s ALA 69 Cb -0.10 0.59 0.15 0.00 0.00 0.00 0.00 23.12 23.75 1yju s ALA 69 CO 0.04 -0.46 0.50 0.45 0.00 0.00 0.00 175.76 176.30 1yju s SER 70 N -2.97 -0.63 0.10 0.00 0.15 0.44 -4.98 113.70 105.82 1yju s SER 70 Ca 0.15 0.77 -0.31 0.00 0.70 0.00 0.00 55.95 57.26 1yju s SER 70 Cb 0.07 1.71 -0.09 0.00 -1.71 0.00 0.00 66.02 66.00 1yju s SER 70 CO -0.04 -0.26 1.67 -1.48 1.20 0.00 0.00 173.24 174.32 1yju s LEU 71 N 2.72 4.37 -0.25 3.45 2.34 -1.26 -0.14 118.68 129.92 1yju s LEU 71 Ca 0.11 2.57 -0.06 0.00 0.06 0.00 0.00 54.13 56.81 1yju s LEU 71 Cb -0.14 -3.57 -0.01 0.00 -0.56 0.00 0.00 46.19 41.91 1yju s LEU 71 CO -0.18 -0.90 0.03 0.68 -1.06 0.00 0.00 176.35 174.93 1yju s VAL 72 N 2.31 3.86 -1.18 1.48 -7.23 -0.22 -4.89 120.40 114.54 1yju s VAL 72 Ca 0.74 -0.43 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 1yju s VAL 72 Cb -0.42 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1yju s VAL 72 CO 0.33 0.30 2.08 1.17 -0.31 0.00 0.00 175.10 178.67 1yju n LYS 73 N 4.86 2.31 -0.11 4.82 3.00 -1.26 -4.51 118.16 127.27 1yju n LYS 73 Ca -0.16 -2.34 -0.11 0.00 -0.00 0.00 0.00 58.31 55.70 1yju n LYS 73 Cb 0.50 -3.17 -0.03 0.00 0.00 0.00 0.00 35.03 32.33 1yju n LYS 73 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1yju h ILE 74 N 4.32 1.28 0.00 3.15 2.10 -1.95 -3.53 117.51 122.87 1yju h ILE 74 Ca 0.50 -1.12 0.00 0.00 1.08 0.00 0.00 64.86 65.32 1yju h ILE 74 Cb 0.67 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1yju h ILE 74 CO 1.88 0.36 0.00 -0.62 -1.08 0.00 0.00 178.15 178.69