#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 -0.31 3.50 3.03 0.00 -1.26 -5.00 105.19 105.15 1yju n GLY 2 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1yju n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yju s ASP 3 N -4.35 0.18 0.29 1.61 1.47 -1.26 -5.00 116.67 109.61 1yju s ASP 3 Ca 0.01 -1.14 0.11 0.00 1.18 0.00 0.00 52.55 52.71 1yju s ASP 3 Cb -0.01 0.57 -0.05 0.00 -0.34 0.00 0.00 42.92 43.10 1yju s ASP 3 CO 0.79 -1.13 -0.09 -0.83 0.68 0.00 0.00 175.17 174.59 1yju s GLY 4 N -3.09 1.83 0.14 2.12 0.00 0.99 -5.00 107.32 104.30 1yju s GLY 4 Ca 0.27 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 43.26 1yju s GLY 4 CO 0.12 -1.86 -0.08 0.54 0.00 0.00 0.00 173.10 171.82 1yju s VAL 5 N -2.44 3.41 -0.18 1.40 0.11 -1.26 -0.97 120.40 120.46 1yju s VAL 5 Ca 0.31 -1.39 -0.05 0.00 -2.93 0.00 0.00 61.98 57.92 1yju s VAL 5 Cb -0.05 -2.64 0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1yju s VAL 5 CO 0.18 0.01 0.14 -0.22 -3.33 0.00 0.00 175.10 171.87 1yju s LEU 6 N -2.52 0.19 -0.23 2.54 2.96 0.48 -4.93 118.68 117.17 1yju s LEU 6 Ca 0.24 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1yju s LEU 6 Cb -0.10 -0.03 0.05 0.00 0.50 0.00 0.00 46.19 46.61 1yju s LEU 6 CO 0.15 -0.34 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.12 1yju s GLU 7 N 2.20 2.17 0.01 1.98 2.02 -1.26 -0.51 118.70 125.32 1yju s GLU 7 Ca 0.04 -1.10 0.07 0.00 0.02 0.00 0.00 54.97 54.00 1yju s GLU 7 Cb -0.16 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 1yju s GLU 7 CO -0.10 -0.50 -0.22 -0.48 0.02 0.00 0.00 175.26 173.98 1yju s LEU 8 N 1.25 2.10 0.21 1.80 0.05 -1.02 -1.01 118.68 122.07 1yju s LEU 8 Ca -0.05 -0.46 -0.30 0.00 0.05 0.00 0.00 54.13 53.37 1yju s LEU 8 Cb -0.18 -1.08 -0.08 0.00 -2.05 0.00 0.00 46.19 42.79 1yju s LEU 8 CO -0.07 0.23 1.03 0.54 -0.55 0.00 0.00 176.35 177.52 1yju s VAL 9 N -0.65 3.93 0.13 1.48 0.11 0.89 -0.62 120.40 125.67 1yju s VAL 9 Ca 0.08 1.81 0.04 0.00 -2.93 0.00 0.00 61.98 60.98 1yju s VAL 9 Cb -0.09 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1yju s VAL 9 CO 0.01 0.38 0.10 -0.69 -3.33 0.00 0.00 175.10 171.57 1yju s VAL 10 N -0.75 4.46 -0.02 2.04 1.01 0.06 -0.95 120.40 126.24 1yju s VAL 10 Ca 0.45 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1yju s VAL 10 Cb -0.28 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1yju s VAL 10 CO 0.35 -0.01 -0.00 -0.13 0.00 0.00 0.00 175.10 175.31 1yju s ARG 11 N -2.80 0.26 0.00 2.72 1.81 0.38 -4.68 118.95 116.64 1yju s ARG 11 Ca 0.30 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 1yju s ARG 11 Cb -0.11 -0.42 0.00 0.00 -0.45 0.00 0.00 34.95 33.97 1yju s ARG 11 CO 0.22 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 1yju n GLY 12 N 3.99 0.57 3.62 -3.53 0.00 -1.26 -0.64 105.19 107.95 1yju n GLY 12 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1yju n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yju s MET 13 N -0.11 3.98 0.07 1.61 0.00 -1.26 -4.88 119.30 118.71 1yju s MET 13 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 55.69 55.12 1yju s MET 13 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 34.83 31.51 1yju s MET 13 CO 0.00 0.12 0.59 -0.08 0.00 0.00 0.00 175.02 175.65 1yju s THR 14 N 0.85 0.01 0.41 10.11 -1.32 -1.26 -5.04 115.64 119.40 1yju s THR 14 Ca 0.06 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1yju s THR 14 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1yju s THR 14 CO 0.03 -0.05 0.00 0.00 -2.21 0.00 0.00 174.62 172.38 1yju h ALA 16 N -1.01 1.19 -1.27 0.00 0.00 -2.00 -2.79 119.26 113.38 1yju h ALA 16 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yju h ALA 16 Cb 0.99 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yju h ALA 16 CO 0.05 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 1yju n SER 17 N -5.04 0.00 -0.27 0.00 3.41 -1.26 -0.33 113.62 110.13 1yju n SER 17 Ca 0.17 0.79 0.07 0.00 -0.26 0.00 0.00 58.87 59.65 1yju n SER 17 Cb 0.51 -0.29 0.22 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.39 0.00 0.00 0.00 2.07 -1.15 0.39 116.25 117.95 1yju h VAL 19 Ca 0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.90 1yju h VAL 19 Cb 0.76 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1yju h VAL 19 CO -0.47 0.00 -0.34 1.12 0.02 0.00 0.00 177.57 177.90 1yju h HIS 20 N -0.29 0.00 0.14 1.57 2.07 -0.35 -0.98 115.15 117.31 1yju h HIS 20 Ca -0.01 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.52 1yju h HIS 20 Cb 0.28 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.24 1yju h HIS 20 CO -0.28 0.34 -0.16 -0.22 -3.07 0.00 0.00 177.93 174.54 1yju h LYS 21 N 0.00 -0.33 0.40 5.12 1.63 -0.66 0.25 116.57 122.98 1yju h LYS 21 Ca -0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1yju h LYS 21 Cb 0.67 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1yju h LYS 21 CO 0.04 -0.22 -0.45 0.82 -3.45 0.00 0.00 179.45 176.19 1yju h ILE 22 N -0.35 0.00 0.12 2.00 2.04 -0.25 -0.91 117.51 120.17 1yju h ILE 22 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1yju h ILE 22 Cb 0.34 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1yju h ILE 22 CO -0.06 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.47 1yju h GLU 23 N -0.86 -0.50 -0.79 2.37 5.08 -1.09 0.14 114.58 118.93 1yju h GLU 23 Ca -0.05 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1yju h GLU 23 Cb 0.76 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1yju h GLU 23 CO -0.08 -0.33 0.52 1.03 -1.00 0.00 0.00 179.01 179.15 1yju h SER 24 N -0.52 0.43 0.22 1.42 0.87 -0.53 0.09 113.55 115.54 1yju h SER 24 Ca 0.03 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1yju h SER 24 Cb 0.54 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1yju h SER 24 CO -0.17 0.22 -0.11 -1.28 -0.53 0.00 0.00 176.83 174.96 1yju h SER 25 N 0.46 -0.26 -0.67 6.23 0.87 0.34 -3.36 113.55 117.16 1yju h SER 25 Ca 0.39 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 61.06 1yju h SER 25 Cb 0.85 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 1yju h SER 25 CO -0.14 -0.09 0.30 -0.07 -0.53 0.00 0.00 176.83 176.30 1yju h LEU 26 N -0.50 0.34 -2.08 2.23 4.07 -0.31 -0.45 115.31 118.61 1yju h LEU 26 Ca -0.03 0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.09 1yju h LEU 26 Cb 0.23 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1yju h LEU 26 CO 0.05 0.19 0.34 0.71 -1.08 0.00 0.00 178.44 178.65 1yju h THR 27 N 0.50 0.39 0.00 0.22 1.35 -1.17 -0.35 112.91 113.86 1yju h THR 27 Ca 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1yju h THR 27 Cb 0.40 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1yju h THR 27 CO -0.30 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 175.07 1yju h LYS 28 N 0.00 0.00 -0.62 4.72 1.79 -1.21 -2.58 116.57 118.66 1yju h LYS 28 Ca 0.14 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1yju h LYS 28 Cb 0.81 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1yju h LYS 28 CO -0.00 0.01 0.14 0.45 -1.08 0.00 0.00 179.45 178.98 1yju h HIS 29 N 0.00 1.01 0.00 -1.35 3.86 -1.19 -3.46 115.15 114.02 1yju h HIS 29 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1yju h HIS 29 Cb 0.50 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1yju h HIS 29 CO 0.00 0.84 0.00 0.54 0.86 0.00 0.00 177.93 180.17 1yju n ARG 30 N -4.25 0.00 -0.85 2.45 1.74 -0.98 -4.82 116.66 109.96 1yju n ARG 30 Ca 0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 1yju n ARG 30 Cb 0.25 -3.30 0.05 0.00 -1.02 0.00 0.00 32.46 28.44 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 3.98 2.88 -0.13 0.00 -1.26 -4.83 105.19 103.83 1yju n GLY 31 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.23 -0.01 -0.20 -0.61 1.01 -1.26 -3.69 121.20 114.21 1yju s ILE 32 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 1yju s ILE 32 Cb 0.25 -0.04 -0.21 0.00 0.01 0.00 0.00 42.46 42.47 1yju s ILE 32 CO 0.01 0.01 0.02 0.18 0.00 0.00 0.00 174.94 175.16 1yju n LEU 33 N 3.17 2.82 -3.73 2.97 7.99 0.63 -4.94 117.00 125.91 1yju n LEU 33 Ca -0.13 0.01 -0.10 0.00 -0.01 0.00 0.00 56.01 55.78 1yju n LEU 33 Cb 0.59 -1.00 -0.04 0.00 -0.11 0.00 0.00 43.42 42.86 1yju n LEU 33 CO 0.25 0.90 0.24 -0.47 -1.51 0.00 0.00 177.39 176.80 1yju s TYR 34 N -2.54 -0.10 -0.21 -1.77 5.04 -0.15 -4.96 117.35 112.67 1yju s TYR 34 Ca -0.30 -0.24 -0.09 0.00 -2.44 0.00 0.00 57.07 54.00 1yju s TYR 34 Cb 0.08 0.35 0.08 0.00 0.35 0.00 0.00 41.96 42.82 1yju s TYR 34 CO 0.67 -0.88 0.47 0.00 -1.34 0.00 0.00 175.55 174.47 1yju s SER 36 N 2.05 3.46 -1.18 0.00 0.01 0.28 -5.00 113.70 113.32 1yju s SER 36 Ca -0.06 -1.16 -0.15 0.00 1.31 0.00 0.00 55.95 55.89 1yju s SER 36 Cb -0.10 -0.79 0.15 0.00 0.21 0.00 0.00 66.02 65.49 1yju s SER 36 CO -0.14 -0.33 1.44 -0.69 0.41 0.00 0.00 173.24 173.93 1yju s VAL 37 N 1.70 4.85 -1.03 3.43 1.01 -1.26 -1.06 120.40 128.03 1yju s VAL 37 Ca 0.02 -2.37 -0.23 0.00 0.00 0.00 0.00 61.98 59.39 1yju s VAL 37 Cb -0.17 -4.94 0.05 0.00 0.00 0.00 0.00 36.38 31.32 1yju s VAL 37 CO -0.13 -1.67 1.47 0.00 0.00 0.00 0.00 175.10 174.77 1yju s ALA 38 N 2.13 2.73 0.25 5.51 0.00 0.84 -4.81 121.76 128.41 1yju s ALA 38 Ca 0.43 -2.29 0.09 0.00 0.00 0.00 0.00 51.96 50.19 1yju s ALA 38 Cb -0.02 -4.54 0.78 0.00 0.00 0.00 0.00 23.12 19.34 1yju s ALA 38 CO -0.00 -3.62 1.13 -0.11 0.00 0.00 0.00 175.76 173.16 1yju n LEU 39 N 8.92 0.10 -0.19 0.00 0.00 -1.26 -0.65 117.00 123.92 1yju n LEU 39 Ca 0.34 1.20 0.14 0.00 0.00 0.00 0.00 56.01 57.69 1yju n LEU 39 Cb 0.51 -0.52 0.47 0.00 0.00 0.00 0.00 43.42 43.87 1yju n LEU 39 CO 0.67 -1.29 1.21 0.00 0.00 0.00 0.00 177.39 177.98 1yju h ALA 40 N 1.43 2.02 -0.11 1.96 0.00 -1.94 0.12 119.26 122.75 1yju h ALA 40 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1yju h ALA 40 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yju h ALA 40 CO -0.61 -0.23 0.00 -2.37 0.00 0.00 0.00 179.25 176.04 1yju n THR 41 N -4.50 1.84 -3.57 0.00 5.66 0.18 -5.00 114.28 108.88 1yju n THR 41 Ca 0.15 -1.89 0.00 0.00 -3.05 0.00 0.00 64.05 59.26 1yju n THR 41 Cb 0.50 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1yju n THR 41 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1yju n ASN 42 N -0.88 0.00 -3.95 1.09 2.85 0.41 -4.89 115.26 109.91 1yju n ASN 42 Ca 0.15 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.51 1yju n ASN 42 Cb 0.66 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.55 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1yju s LYS 43 N -4.78 0.24 -0.48 1.20 2.36 -0.96 -0.76 119.74 116.57 1yju s LYS 43 Ca 0.00 -0.34 -0.18 0.00 -2.55 0.00 0.00 55.97 52.89 1yju s LYS 43 Cb 0.00 -0.06 0.05 0.00 -1.05 0.00 0.00 37.83 36.77 1yju s LYS 43 CO 0.00 0.00 0.56 0.00 1.55 0.00 0.00 175.35 177.46 1yju s ALA 44 N -0.72 3.41 -0.66 3.13 0.00 0.21 -0.11 121.76 127.02 1yju s ALA 44 Ca -0.07 -1.69 -0.24 0.00 0.00 0.00 0.00 51.96 49.97 1yju s ALA 44 Cb -0.05 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1yju s ALA 44 CO -0.00 -1.87 1.02 -1.58 0.00 0.00 0.00 175.76 173.33 1yju s HIS 45 N 2.43 2.61 0.09 0.00 2.46 -0.22 -2.42 115.29 120.23 1yju s HIS 45 Ca 0.14 -0.39 -0.08 0.00 0.47 0.00 0.00 55.06 55.19 1yju s HIS 45 Cb -0.19 -4.33 -0.06 0.00 -0.13 0.00 0.00 32.58 27.88 1yju s HIS 45 CO 0.12 -1.69 0.38 0.42 -2.47 0.00 0.00 174.74 171.50 1yju s ILE 46 N 4.36 5.13 -0.06 0.89 1.09 0.33 -0.56 121.20 132.38 1yju s ILE 46 Ca 0.25 0.34 0.05 0.00 -1.10 0.00 0.00 60.65 60.19 1yju s ILE 46 Cb -0.15 -3.63 -0.00 0.00 -1.06 0.00 0.00 42.46 37.62 1yju s ILE 46 CO 0.12 0.24 -0.22 -0.54 -0.10 0.00 0.00 174.94 174.44 1yju s LYS 47 N -2.06 2.40 0.21 2.79 -0.14 0.28 -0.39 119.74 122.84 1yju s LYS 47 Ca 0.34 -0.79 -0.23 0.00 -1.36 0.00 0.00 55.97 53.93 1yju s LYS 47 Cb -0.13 -1.98 0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1yju s LYS 47 CO 0.19 0.28 0.83 1.52 -0.76 0.00 0.00 175.35 177.40 1yju s TYR 48 N 0.06 -0.18 0.01 3.18 1.13 -0.14 -0.27 117.35 121.14 1yju s TYR 48 Ca -0.08 -0.18 -0.16 0.00 -1.41 0.00 0.00 57.07 55.24 1yju s TYR 48 Cb -0.14 0.67 -0.06 0.00 -1.10 0.00 0.00 41.96 41.33 1yju s TYR 48 CO 0.04 -1.02 0.45 0.34 -2.51 0.00 0.00 175.55 172.86 1yju s ASP 49 N -2.91 6.87 0.12 -0.18 -1.08 -1.24 -0.01 116.67 118.24 1yju s ASP 49 Ca 0.11 1.03 -0.03 0.00 -0.52 0.00 0.00 52.55 53.14 1yju s ASP 49 Cb -0.04 -2.28 -0.14 0.00 -1.46 0.00 0.00 42.92 39.01 1yju s ASP 49 CO 0.03 0.30 1.27 1.55 0.52 0.00 0.00 175.17 178.84 1yju h PRO 50 N 4.77 0.31 0.00 4.34 0.13 -1.93 -3.38 132.00 136.23 1yju h PRO 50 Ca -0.51 -0.39 -0.27 0.00 -0.87 0.00 0.00 66.00 63.96 1yju h PRO 50 Cb 1.22 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1yju h PRO 50 CO 0.63 1.11 -1.86 -0.85 -0.23 0.00 0.00 178.00 176.80 1yju n GLU 51 N -3.65 0.65 0.24 0.86 0.28 -1.26 -0.03 120.64 117.72 1yju n GLU 51 Ca -0.06 0.16 0.11 0.00 -0.16 0.00 0.00 57.16 57.20 1yju n GLU 51 Cb 0.89 -1.70 0.56 0.00 1.43 0.00 0.00 31.44 32.63 1yju n GLU 51 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1yju h ILE 52 N 0.00 0.60 0.00 3.84 3.07 -1.93 -3.38 117.51 119.72 1yju h ILE 52 Ca -0.32 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.18 1yju h ILE 52 Cb 1.93 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 1yju h ILE 52 CO 0.05 0.19 -0.92 0.00 -1.05 0.00 0.00 178.15 176.43 1yju n ILE 53 N -3.52 0.00 -0.64 0.16 3.06 -1.24 -4.98 119.36 112.19 1yju n ILE 53 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1yju n ILE 53 Cb 0.35 -0.86 0.00 0.00 0.54 0.00 0.00 39.64 39.67 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 3.15 -3.81 0.37 4.50 0.00 0.96 -4.38 105.19 105.97 1yju n GLY 54 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 0.39 0.84 0.00 1.61 0.13 -1.91 -0.27 132.00 132.79 1yju h PRO 55 Ca 0.00 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1yju h PRO 55 Cb 0.00 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 30.94 1yju h PRO 55 CO 0.00 0.56 -0.00 0.07 -0.23 0.00 0.00 178.00 178.39 1yju h ARG 56 N 0.87 0.00 0.17 0.86 0.11 -1.95 -0.24 114.38 114.20 1yju h ARG 56 Ca 0.42 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.50 1yju h ARG 56 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 1yju h ARG 56 CO -0.18 0.00 -0.10 0.22 0.10 0.00 0.00 179.97 180.01 1yju h ASP 57 N 0.00 -0.24 -0.23 0.08 3.58 -1.24 0.89 116.42 119.25 1yju h ASP 57 Ca -0.00 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1yju h ASP 57 Cb 0.01 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1yju h ASP 57 CO 0.00 -0.16 0.00 0.40 -2.88 0.00 0.00 179.24 176.60 1yju h ILE 58 N -0.26 0.84 0.14 2.25 5.03 -1.19 -0.20 117.51 124.12 1yju h ILE 58 Ca -0.02 -0.03 0.01 0.00 -0.12 0.00 0.00 64.86 64.71 1yju h ILE 58 Cb 0.21 0.75 -0.05 0.00 -3.03 0.00 0.00 36.82 34.71 1yju h ILE 58 CO 0.02 0.01 -0.51 0.40 -0.68 0.00 0.00 178.15 177.40 1yju h ILE 59 N 0.08 0.03 -0.54 -0.67 2.04 -0.86 0.80 117.51 118.39 1yju h ILE 59 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 1yju h ILE 59 Cb 0.14 0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 36.15 1yju h ILE 59 CO -0.18 0.00 -0.14 0.45 0.00 0.00 0.00 178.15 178.28 1yju h HIS 60 N -0.75 -0.29 0.06 1.37 3.86 -0.63 0.60 115.15 119.36 1yju h HIS 60 Ca -0.00 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1yju h HIS 60 Cb 0.75 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1yju h HIS 60 CO -0.43 -0.23 -0.13 1.15 0.86 0.00 0.00 177.93 179.15 1yju h THR 61 N -0.00 0.70 0.42 2.45 2.02 -0.43 0.12 112.91 118.19 1yju h THR 61 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1yju h THR 61 Cb 0.40 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1yju h THR 61 CO -0.56 0.00 -0.38 0.40 0.37 0.00 0.00 175.52 175.35 1yju h ILE 62 N -0.25 0.22 0.09 3.11 2.04 0.18 0.57 117.51 123.48 1yju h ILE 62 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1yju h ILE 62 Cb 0.27 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1yju h ILE 62 CO -0.08 0.00 -0.05 1.05 0.00 0.00 0.00 178.15 179.06 1yju h GLU 63 N -0.81 -0.13 -0.69 2.37 -0.00 -0.77 -2.70 114.58 111.84 1yju h GLU 63 Ca -0.04 0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.39 1yju h GLU 63 Cb 0.71 0.03 -0.04 0.00 -0.00 0.00 0.00 28.75 29.45 1yju h GLU 63 CO -0.04 -0.09 0.46 1.03 -0.00 0.00 0.00 179.01 180.36 1yju h SER 64 N -0.14 0.64 0.03 3.06 0.87 -0.67 0.32 113.55 117.66 1yju h SER 64 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1yju h SER 64 Cb 0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1yju h SER 64 CO 0.01 0.42 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.59 1yju h LEU 65 N 0.73 -0.22 -0.48 2.23 4.07 -0.55 -3.44 115.31 117.66 1yju h LEU 65 Ca 0.29 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1yju h LEU 65 Cb 0.23 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1yju h LEU 65 CO -0.09 -0.08 0.00 0.61 -1.08 0.00 0.00 178.44 177.79 1yju n GLY 66 N -1.07 0.96 3.39 0.83 0.00 -0.93 -5.12 105.19 103.25 1yju n GLY 66 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 1.69 0.12 1.61 0.08 0.06 -4.85 117.98 116.68 1yju s PHE 67 Ca 0.00 -1.32 0.04 0.00 0.12 0.00 0.00 56.93 55.77 1yju s PHE 67 Cb 0.00 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 1yju s PHE 67 CO 0.00 -0.43 0.12 -2.00 -0.10 0.00 0.00 175.22 172.81 1yju s GLU 68 N -3.78 2.93 -0.11 0.44 2.56 0.18 -4.34 118.70 116.58 1yju s GLU 68 Ca 0.33 -0.77 -0.10 0.00 0.00 0.00 0.00 54.97 54.43 1yju s GLU 68 Cb 0.05 -2.70 0.03 0.00 2.00 0.00 0.00 34.13 33.50 1yju s GLU 68 CO 0.17 0.53 0.29 0.00 -0.56 0.00 0.00 175.26 175.69 1yju s ALA 69 N -1.58 -0.72 -0.27 6.30 0.00 -1.26 -0.47 121.76 123.76 1yju s ALA 69 Ca 0.30 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 1yju s ALA 69 Cb -0.11 -0.48 0.16 0.00 0.00 0.00 0.00 23.12 22.69 1yju s ALA 69 CO 0.23 -0.14 0.48 -1.12 0.00 0.00 0.00 175.76 175.22 1yju s SER 70 N 0.16 -0.54 0.27 0.00 0.01 -0.13 -4.99 113.70 108.49 1yju s SER 70 Ca -0.00 0.57 -0.28 0.00 1.31 0.00 0.00 55.95 57.55 1yju s SER 70 Cb -0.02 1.62 -0.15 0.00 0.21 0.00 0.00 66.02 67.69 1yju s SER 70 CO 0.00 -0.28 0.92 0.18 0.41 0.00 0.00 173.24 174.48 1yju n LEU 71 N 5.40 1.26 -1.37 2.44 4.32 -1.26 -0.07 117.00 127.72 1yju n LEU 71 Ca -0.03 1.17 -0.09 0.00 -0.02 0.00 0.00 56.01 57.04 1yju n LEU 71 Cb 0.50 -1.23 0.11 0.00 -1.62 0.00 0.00 43.42 41.18 1yju n LEU 71 CO 0.04 -1.68 0.26 1.33 -1.22 0.00 0.00 177.39 176.12 1yju n VAL 72 N 0.18 2.31 0.00 4.08 0.24 -0.18 -4.78 118.33 120.19 1yju n VAL 72 Ca 0.11 -3.69 0.00 0.00 -2.04 0.00 0.00 64.34 58.72 1yju n VAL 72 Cb 0.31 -0.64 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1yju n VAL 72 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1yju n LYS 73 N -0.88 0.00 0.00 7.34 2.85 -1.26 -5.00 118.16 121.21 1yju n LYS 73 Ca 0.31 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1yju n LYS 73 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1yju n LYS 73 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1yju n ILE 74 N -1.14 0.00 -0.50 0.58 5.41 -1.26 -4.68 119.36 117.77 1yju n ILE 74 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1yju n ILE 74 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93