#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 -2.86 3.68 3.03 0.00 -1.26 -4.50 105.19 103.28 1yju n GLY 2 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1yju n GLY 2 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yju n ASP 3 N -3.95 -5.19 -4.75 1.61 2.03 -1.25 -4.96 116.55 100.09 1yju n ASP 3 Ca 0.07 -1.01 -0.40 0.00 0.52 0.00 0.00 54.79 53.96 1yju n ASP 3 Cb 0.27 -3.40 -0.05 0.00 -0.72 0.00 0.00 41.12 37.22 1yju n ASP 3 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1yju s GLY 4 N -3.50 3.07 0.49 0.27 0.00 0.79 -4.77 107.32 103.67 1yju s GLY 4 Ca 0.46 0.72 -0.19 0.00 0.00 0.00 0.00 44.72 45.72 1yju s GLY 4 CO 0.86 1.35 0.99 -1.34 0.00 0.00 0.00 173.10 174.96 1yju s VAL 5 N -1.00 4.26 -0.25 1.40 -7.23 -1.26 -0.80 120.40 115.52 1yju s VAL 5 Ca 0.43 1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 61.83 1yju s VAL 5 Cb -0.28 -3.58 0.14 0.00 0.56 0.00 0.00 36.38 33.21 1yju s VAL 5 CO 0.35 -0.44 0.41 -0.22 -0.31 0.00 0.00 175.10 174.88 1yju s LEU 6 N -3.67 -0.72 -0.28 1.32 2.96 0.43 -4.89 118.68 113.83 1yju s LEU 6 Ca 0.62 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.84 1yju s LEU 6 Cb -0.11 1.26 -0.01 0.00 0.50 0.00 0.00 46.19 47.83 1yju s LEU 6 CO 0.23 -0.29 0.09 -1.61 -1.32 0.00 0.00 176.35 173.45 1yju s GLU 7 N 2.59 3.41 -0.17 1.98 2.02 -1.26 -0.52 118.70 126.76 1yju s GLU 7 Ca 0.12 -0.64 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1yju s GLU 7 Cb -0.15 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1yju s GLU 7 CO -0.16 -0.31 0.01 -0.51 0.02 0.00 0.00 175.26 174.30 1yju s LEU 8 N 1.58 3.49 -0.67 1.80 1.43 -1.02 -0.87 118.68 124.42 1yju s LEU 8 Ca 0.05 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 1yju s LEU 8 Cb -0.16 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1yju s LEU 8 CO 0.04 0.17 1.45 0.54 0.23 0.00 0.00 176.35 178.78 1yju s VAL 9 N 0.36 3.65 -1.32 -1.59 0.11 0.75 -0.64 120.40 121.72 1yju s VAL 9 Ca -0.01 0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 59.28 1yju s VAL 9 Cb -0.13 -4.58 0.06 0.00 -1.53 0.00 0.00 36.38 30.20 1yju s VAL 9 CO 0.02 -1.48 1.81 0.52 -3.33 0.00 0.00 175.10 172.64 1yju n VAL 10 N 6.69 3.86 -2.52 2.04 0.31 0.17 -3.26 118.33 125.61 1yju n VAL 10 Ca 0.09 -3.93 -0.43 0.00 -0.01 0.00 0.00 64.34 60.06 1yju n VAL 10 Cb 0.50 -2.39 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 1yju n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yju s ARG 11 N 4.10 4.01 0.00 5.55 1.70 -1.26 -3.71 118.95 129.34 1yju s ARG 11 Ca 0.53 1.20 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 1yju s ARG 11 Cb 0.05 -3.81 0.00 0.00 -0.57 0.00 0.00 34.95 30.63 1yju s ARG 11 CO 0.06 -0.99 0.00 0.41 -1.08 0.00 0.00 175.30 173.70 1yju n GLY 12 N 4.06 0.62 3.75 3.88 0.00 -1.26 -2.54 105.19 113.69 1yju n GLY 12 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1yju n GLY 12 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yju s MET 13 N 0.00 2.91 0.00 1.61 -1.94 -1.24 -4.95 119.30 115.69 1yju s MET 13 Ca 0.00 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 55.90 1yju s MET 13 Cb 0.00 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.89 1yju s MET 13 CO 0.00 -1.28 0.48 -2.37 -0.01 0.00 0.00 175.02 171.84 1yju n THR 14 N -1.58 0.00 -3.58 2.05 5.66 -1.26 -5.09 114.28 110.48 1yju n THR 14 Ca 0.14 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.06 1yju n THR 14 Cb 0.49 0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 69.34 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 2.34 2.53 0.03 0.00 0.00 -2.01 -0.19 119.26 121.97 1yju h ALA 16 Ca -0.16 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yju h ALA 16 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yju h ALA 16 CO 0.28 -1.06 -0.02 0.66 0.00 0.00 0.00 179.25 179.11 1yju h SER 17 N 0.21 -0.04 -0.99 0.00 4.64 -1.98 0.89 113.55 116.28 1yju h SER 17 Ca 0.72 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 62.33 1yju h SER 17 Cb 2.12 0.01 -0.18 0.00 -0.31 0.00 0.00 62.40 64.04 1yju h SER 17 CO -0.36 -0.03 0.09 0.00 -0.87 0.00 0.00 176.83 175.67 1yju n VAL 19 N -5.46 0.00 0.27 0.00 0.31 -0.15 -3.29 118.33 110.01 1yju n VAL 19 Ca 0.25 1.35 0.16 0.00 -0.01 0.00 0.00 64.34 66.08 1yju n VAL 19 Cb 0.82 -2.18 0.70 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.42 3.52 2.07 0.47 -1.61 115.15 119.18 1yju h HIS 20 Ca 0.00 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.58 1yju h HIS 20 Cb 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 1yju h HIS 20 CO -0.11 0.07 0.13 -0.22 -3.07 0.00 0.00 177.93 174.73 1yju h LYS 21 N 0.00 0.28 0.85 5.12 1.63 -0.81 0.15 116.57 123.79 1yju h LYS 21 Ca -0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1yju h LYS 21 Cb 0.49 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1yju h LYS 21 CO 0.01 0.19 -0.41 0.82 -3.45 0.00 0.00 179.45 176.61 1yju h ILE 22 N 0.29 0.05 0.00 2.00 2.04 -1.27 0.66 117.51 121.28 1yju h ILE 22 Ca 0.20 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1yju h ILE 22 Cb 0.21 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 1yju h ILE 22 CO -0.22 0.00 -0.51 -0.33 0.00 0.00 0.00 178.15 177.10 1yju h GLU 23 N -1.26 -0.62 -0.73 2.37 5.08 -1.53 0.14 114.58 118.03 1yju h GLU 23 Ca -0.12 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1yju h GLU 23 Cb 0.88 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.18 1yju h GLU 23 CO 0.19 -0.41 0.30 1.03 -1.00 0.00 0.00 179.01 179.12 1yju h SER 24 N -0.64 0.30 0.68 1.42 0.87 -0.72 0.11 113.55 115.58 1yju h SER 24 Ca 0.01 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1yju h SER 24 Cb 0.68 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1yju h SER 24 CO -0.34 0.14 -0.33 -1.28 -0.53 0.00 0.00 176.83 174.49 1yju h SER 25 N 0.47 -0.77 0.06 6.23 0.87 -0.23 -3.30 113.55 116.88 1yju h SER 25 Ca 0.39 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.88 1yju h SER 25 Cb 0.54 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1yju h SER 25 CO -0.36 -0.53 -0.29 -0.07 -0.53 0.00 0.00 176.83 175.05 1yju h LEU 26 N -0.97 0.35 -0.60 2.23 3.38 -0.28 -1.03 115.31 118.40 1yju h LEU 26 Ca -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1yju h LEU 26 Cb 0.70 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1yju h LEU 26 CO 0.15 0.64 0.00 0.35 0.09 0.00 0.00 178.44 179.67 1yju n THR 27 N -4.11 1.60 -0.28 0.22 -2.24 -0.02 -0.42 114.28 109.03 1yju n THR 27 Ca -0.01 0.60 -0.05 0.00 -2.27 0.00 0.00 64.05 62.33 1yju n THR 27 Cb 0.41 -1.60 0.10 0.00 -2.10 0.00 0.00 70.33 67.14 1yju n THR 27 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yju h LYS 28 N 0.00 1.17 -6.39 -0.78 1.79 -1.26 -3.42 116.57 107.68 1yju h LYS 28 Ca 0.00 -0.18 -0.54 0.00 -2.18 0.00 0.00 60.65 57.74 1yju h LYS 28 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1yju h LYS 28 CO 0.00 0.92 0.81 -1.01 -1.08 0.00 0.00 179.45 179.09 1yju s HIS 29 N -5.61 2.92 0.00 -1.35 3.76 0.44 -4.89 115.29 110.56 1yju s HIS 29 Ca -0.12 0.85 -0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1yju s HIS 29 Cb 0.16 -3.65 -0.19 0.00 1.11 0.00 0.00 32.58 30.01 1yju s HIS 29 CO 0.83 -2.38 2.81 -2.13 -0.85 0.00 0.00 174.74 173.01 1yju n ARG 30 N 5.17 1.49 0.00 1.40 0.63 -1.26 -3.17 116.66 120.91 1yju n ARG 30 Ca 0.13 -0.70 0.00 0.00 -0.92 0.00 0.00 57.85 56.36 1yju n ARG 30 Cb 0.44 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yju n GLY 31 N 2.49 0.00 3.66 5.14 0.00 -1.26 -4.91 105.19 110.31 1yju n GLY 31 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.21 4.61 -0.11 -0.61 1.09 -1.19 -4.00 121.20 119.78 1yju s ILE 32 Ca 0.00 1.94 0.15 0.00 -1.10 0.00 0.00 60.65 61.64 1yju s ILE 32 Cb 0.00 -4.27 -0.10 0.00 -1.06 0.00 0.00 42.46 37.03 1yju s ILE 32 CO 0.00 -0.19 1.00 -0.07 -0.10 0.00 0.00 174.94 175.57 1yju h LEU 33 N 9.54 0.00 -7.26 2.97 3.38 -0.94 -3.48 115.31 119.52 1yju h LEU 33 Ca -0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1yju h LEU 33 Cb 1.07 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1yju h LEU 33 CO 0.98 0.61 -0.01 -0.47 0.09 0.00 0.00 178.44 179.64 1yju s TYR 34 N -2.90 -0.37 -0.14 1.13 5.04 0.00 -4.90 117.35 115.22 1yju s TYR 34 Ca -0.01 0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.90 1yju s TYR 34 Cb 0.08 0.30 0.05 0.00 0.35 0.00 0.00 41.96 42.75 1yju s TYR 34 CO 0.80 -0.63 0.35 0.00 -1.34 0.00 0.00 175.55 174.73 1yju s SER 36 N 1.17 1.00 -0.60 0.00 0.01 0.10 -4.97 113.70 110.39 1yju s SER 36 Ca -0.08 0.17 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 1yju s SER 36 Cb -0.08 0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.43 1yju s SER 36 CO -0.09 -0.26 0.57 0.54 0.41 0.00 0.00 173.24 174.41 1yju s VAL 37 N 2.25 5.28 -0.72 3.43 0.11 -1.26 -0.75 120.40 128.74 1yju s VAL 37 Ca 0.04 -1.69 -0.22 0.00 -2.93 0.00 0.00 61.98 57.18 1yju s VAL 37 Cb -0.12 -4.37 0.08 0.00 -1.53 0.00 0.00 36.38 30.43 1yju s VAL 37 CO -0.05 -0.92 1.01 0.00 -3.33 0.00 0.00 175.10 171.81 1yju s ALA 38 N 1.34 3.14 0.45 1.54 0.00 0.46 -4.88 121.76 123.81 1yju s ALA 38 Ca 0.07 -2.02 0.23 0.00 0.00 0.00 0.00 51.96 50.23 1yju s ALA 38 Cb -0.26 -3.92 1.22 0.00 0.00 0.00 0.00 23.12 20.16 1yju s ALA 38 CO 0.01 -2.85 1.82 1.37 0.00 0.00 0.00 175.76 176.10 1yju h LEU 39 N 11.25 0.30 -2.00 0.00 8.10 -1.93 0.31 115.31 131.34 1yju h LEU 39 Ca -0.19 0.05 0.12 0.00 0.11 0.00 0.00 57.88 57.97 1yju h LEU 39 Cb 1.06 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 1yju h LEU 39 CO 1.18 0.08 0.30 0.00 -4.11 0.00 0.00 178.44 175.89 1yju h ALA 40 N 1.58 2.39 -0.02 0.17 0.00 -1.95 0.29 119.26 121.71 1yju h ALA 40 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1yju h ALA 40 Cb 1.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1yju h ALA 40 CO -0.18 -0.51 0.00 -2.37 0.00 0.00 0.00 179.25 176.19 1yju n THR 41 N -4.41 1.15 -3.96 0.00 5.66 -0.07 -5.00 114.28 107.67 1yju n THR 41 Ca 0.07 -1.21 -0.33 0.00 -3.05 0.00 0.00 64.05 59.53 1yju n THR 41 Cb 0.50 0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.59 -1.53 -4.19 1.09 4.13 0.09 -4.90 115.26 109.36 1yju n ASN 42 Ca 0.03 -0.91 -0.29 0.00 1.68 0.00 0.00 54.58 55.09 1yju n ASN 42 Cb 0.33 -1.35 -0.16 0.00 -1.54 0.00 0.00 39.78 37.05 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 -6.27 2.37 -0.56 3.52 2.36 -0.98 0.44 119.74 120.61 1yju s LYS 43 Ca 0.65 -0.77 -0.19 0.00 -2.55 0.00 0.00 55.97 53.12 1yju s LYS 43 Cb -0.38 -1.94 0.09 0.00 -1.05 0.00 0.00 37.83 34.55 1yju s LYS 43 CO 0.80 0.26 0.65 0.00 1.55 0.00 0.00 175.35 178.61 1yju s ALA 44 N 0.10 3.44 -0.91 3.13 0.00 0.19 -0.40 121.76 127.30 1yju s ALA 44 Ca -0.08 -2.15 -0.24 0.00 0.00 0.00 0.00 51.96 49.49 1yju s ALA 44 Cb -0.14 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1yju s ALA 44 CO 0.05 -2.22 1.57 -1.58 0.00 0.00 0.00 175.76 173.58 1yju s HIS 45 N 2.53 2.24 0.33 0.00 2.46 0.07 -2.44 115.29 120.48 1yju s HIS 45 Ca 0.11 -0.21 -0.15 0.00 0.47 0.00 0.00 55.06 55.29 1yju s HIS 45 Cb -0.24 -4.48 -0.09 0.00 -0.13 0.00 0.00 32.58 27.65 1yju s HIS 45 CO 0.07 -1.95 0.74 0.42 -2.47 0.00 0.00 174.74 171.56 1yju s ILE 46 N 6.69 4.69 0.01 0.89 1.01 0.32 -0.72 121.20 134.08 1yju s ILE 46 Ca 0.52 0.92 0.06 0.00 0.00 0.00 0.00 60.65 62.14 1yju s ILE 46 Cb -0.04 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1yju s ILE 46 CO -0.01 -0.23 -0.18 -0.54 0.00 0.00 0.00 174.94 173.98 1yju s LYS 47 N -3.09 1.36 0.34 2.79 1.02 0.33 -0.43 119.74 122.06 1yju s LYS 47 Ca 0.54 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 1yju s LYS 47 Cb -0.10 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.86 1yju s LYS 47 CO 0.19 0.36 0.69 1.52 -0.92 0.00 0.00 175.35 177.20 1yju s TYR 48 N -0.61 0.20 -0.12 3.18 1.13 0.02 -0.21 117.35 120.94 1yju s TYR 48 Ca 0.06 -0.73 0.02 0.00 -1.41 0.00 0.00 57.07 55.02 1yju s TYR 48 Cb -0.08 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1yju s TYR 48 CO 0.00 -1.37 -0.20 -0.51 -2.51 0.00 0.00 175.55 170.97 1yju s ASP 49 N -3.05 2.85 -1.31 -0.18 1.01 -1.26 -0.15 116.67 114.59 1yju s ASP 49 Ca 0.17 -0.53 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 1yju s ASP 49 Cb -0.04 -1.31 -0.07 0.00 1.01 0.00 0.00 42.92 42.51 1yju s ASP 49 CO 0.11 0.07 2.55 -0.81 0.21 0.00 0.00 175.17 177.30 1yju n PRO 50 N 4.05 2.94 0.00 8.23 -0.04 -1.25 -2.52 135.00 146.41 1yju n PRO 50 Ca -0.20 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1yju n PRO 50 Cb 0.52 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.12 0.00 0.12 0.54 0.28 -1.26 -4.89 120.64 119.56 1yju n GLU 51 Ca 0.63 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.61 1yju n GLU 51 Cb 0.21 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.21 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 1.47 -2.64 3.84 3.07 -1.85 -3.44 117.51 117.97 1yju h ILE 52 Ca 0.00 -2.27 -0.10 0.00 1.55 0.00 0.00 64.86 64.04 1yju h ILE 52 Cb 0.00 2.22 -0.20 0.00 -0.27 0.00 0.00 36.82 38.57 1yju h ILE 52 CO 0.00 0.65 -0.10 -0.51 -1.05 0.00 0.00 178.15 177.14 1yju s ILE 53 N -3.51 0.03 0.55 0.16 2.07 -1.08 -4.69 121.20 114.73 1yju s ILE 53 Ca -0.01 -0.27 -0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1yju s ILE 53 Cb 0.12 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.98 1yju s ILE 53 CO 0.77 -0.15 0.80 -0.83 -1.91 0.00 0.00 174.94 173.62 1yju s GLY 54 N -1.15 1.68 0.03 1.50 0.00 -1.26 -3.94 107.32 104.19 1yju s GLY 54 Ca -0.12 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 1yju s GLY 54 CO 0.06 -0.81 1.31 -0.56 0.00 0.00 0.00 173.10 173.10 1yju h PRO 55 N 0.04 0.35 -0.98 2.90 0.13 -1.97 -3.19 132.00 129.28 1yju h PRO 55 Ca -0.44 -0.20 0.29 0.00 -0.87 0.00 0.00 66.00 64.77 1yju h PRO 55 Cb 1.28 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1yju h PRO 55 CO 0.56 0.78 0.52 0.00 -0.23 0.00 0.00 178.00 179.63 1yju h ARG 56 N -0.05 0.35 0.57 0.86 -0.00 -1.98 0.78 114.38 114.90 1yju h ARG 56 Ca 0.01 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 1yju h ARG 56 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.62 1yju h ARG 56 CO 0.04 0.23 -0.38 -0.44 0.00 0.00 0.00 179.97 179.42 1yju h ASP 57 N 0.36 -0.98 -0.09 7.04 5.19 -1.96 0.14 116.42 126.11 1yju h ASP 57 Ca 0.68 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 57.15 1yju h ASP 57 Cb 1.48 0.30 -0.00 0.00 0.18 0.00 0.00 39.33 41.28 1yju h ASP 57 CO -0.59 -0.58 0.04 0.40 -3.12 0.00 0.00 179.24 175.39 1yju h ILE 58 N -0.91 1.15 -0.50 0.35 2.04 -1.28 -0.33 117.51 118.03 1yju h ILE 58 Ca -0.07 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1yju h ILE 58 Cb 0.75 1.27 -0.09 0.00 -0.74 0.00 0.00 36.82 38.02 1yju h ILE 58 CO 0.05 0.13 -0.54 0.40 0.00 0.00 0.00 178.15 178.18 1yju h ILE 59 N -0.01 0.00 -0.79 -0.67 1.08 -0.76 0.15 117.51 116.52 1yju h ILE 59 Ca 0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.55 1yju h ILE 59 Cb 0.17 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 1yju h ILE 59 CO -0.00 0.00 0.49 -0.74 -0.69 0.00 0.00 178.15 177.21 1yju h HIS 60 N -0.32 0.91 -0.27 1.37 2.76 -0.56 0.73 115.15 119.77 1yju h HIS 60 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1yju h HIS 60 Cb 0.54 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1yju h HIS 60 CO -0.78 0.49 0.15 1.15 -1.30 0.00 0.00 177.93 177.64 1yju h THR 61 N 0.92 1.11 -0.40 6.26 2.02 0.08 0.19 112.91 123.09 1yju h THR 61 Ca 0.33 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1yju h THR 61 Cb 0.10 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1yju h THR 61 CO -0.14 0.11 0.16 0.40 0.37 0.00 0.00 175.52 176.42 1yju h ILE 62 N 0.32 1.19 0.12 3.11 2.04 0.32 0.17 117.51 124.79 1yju h ILE 62 Ca 0.09 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1yju h ILE 62 Cb 0.04 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1yju h ILE 62 CO -0.02 0.22 -0.17 -0.33 0.00 0.00 0.00 178.15 177.85 1yju h GLU 63 N 0.50 -0.34 -0.84 2.37 5.08 -0.73 0.12 114.58 120.75 1yju h GLU 63 Ca 0.13 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.62 1yju h GLU 63 Cb 0.18 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1yju h GLU 63 CO -0.01 -0.22 0.48 1.03 -1.00 0.00 0.00 179.01 179.28 1yju h SER 64 N -0.35 0.68 0.43 1.42 0.87 -0.31 -2.08 113.55 114.19 1yju h SER 64 Ca 0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1yju h SER 64 Cb 0.35 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1yju h SER 64 CO -0.08 0.37 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.32 1yju h LEU 65 N 0.79 -0.48 0.00 2.23 3.38 -0.44 -3.47 115.31 117.31 1yju h LEU 65 Ca 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1yju h LEU 65 Cb 0.41 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1yju h LEU 65 CO -0.26 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1yju n GLY 66 N -0.66 0.01 3.26 0.83 0.00 0.21 -5.10 105.19 103.74 1yju n GLY 66 Ca -0.11 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.30 2.02 -1.28 1.61 0.08 -0.02 -4.87 117.98 114.22 1yju s PHE 67 Ca 0.00 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 1yju s PHE 67 Cb 0.00 -1.28 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1yju s PHE 67 CO 0.00 -0.00 1.79 0.39 -0.10 0.00 0.00 175.22 177.30 1yju n GLU 68 N 2.38 2.85 -2.51 0.44 1.02 -1.05 -2.80 120.64 120.97 1yju n GLU 68 Ca -0.16 -3.09 -0.40 0.00 -0.02 0.00 0.00 57.16 53.49 1yju n GLU 68 Cb 0.52 -3.54 -0.04 0.00 -0.02 0.00 0.00 31.44 28.36 1yju n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yju s ALA 69 N 5.63 3.34 -0.24 0.62 0.00 -1.26 -4.26 121.76 125.60 1yju s ALA 69 Ca 0.57 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1yju s ALA 69 Cb 0.03 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1yju s ALA 69 CO 0.09 -0.14 0.57 -1.12 0.00 0.00 0.00 175.76 175.15 1yju s SER 70 N -1.03 -0.76 -0.23 0.00 0.01 -1.20 -4.92 113.70 105.57 1yju s SER 70 Ca 0.47 1.26 -0.36 0.00 1.31 0.00 0.00 55.95 58.63 1yju s SER 70 Cb -0.30 1.25 -0.13 0.00 0.21 0.00 0.00 66.02 67.06 1yju s SER 70 CO 0.38 -0.22 1.94 0.18 0.41 0.00 0.00 173.24 175.92 1yju n LEU 71 N 4.48 2.76 -3.95 2.44 7.99 -1.26 -0.18 117.00 129.28 1yju n LEU 71 Ca -0.20 0.83 -0.31 0.00 -0.01 0.00 0.00 56.01 56.32 1yju n LEU 71 Cb 0.56 -1.27 -0.15 0.00 -0.11 0.00 0.00 43.42 42.45 1yju n LEU 71 CO 0.02 -0.37 -0.30 0.68 -1.51 0.00 0.00 177.39 175.90 1yju s VAL 72 N 4.96 2.08 -0.55 4.08 -7.23 -0.05 -4.88 120.40 118.81 1yju s VAL 72 Ca 0.99 -2.36 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1yju s VAL 72 Cb -0.85 -2.52 -0.14 0.00 0.56 0.00 0.00 36.38 33.43 1yju s VAL 72 CO 0.55 -0.65 2.69 0.29 -0.31 0.00 0.00 175.10 177.66 1yju n LYS 73 N 4.14 2.09 -1.22 4.82 4.76 -1.26 -4.54 118.16 126.94 1yju n LYS 73 Ca 0.03 -1.22 -0.21 0.00 -2.87 0.00 0.00 58.31 54.05 1yju n LYS 73 Cb 0.40 -2.20 -0.11 0.00 -1.84 0.00 0.00 35.03 31.28 1yju n LYS 73 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1yju n ILE 74 N 3.21 3.40 -0.91 -0.18 -5.35 -1.26 -5.15 119.36 113.13 1yju n ILE 74 Ca 0.45 -2.18 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 1yju n ILE 74 Cb 0.46 -2.00 0.00 0.00 -1.74 0.00 0.00 39.64 36.36 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17