#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjj s LYS 2 N 0.00 4.11 -0.19 1.43 -0.14 -1.26 -2.72 119.74 120.97 1yjj s LYS 2 Ca 0.00 0.87 -0.02 0.00 -1.36 0.00 0.00 55.97 55.47 1yjj s LYS 2 Cb 0.00 -3.68 0.00 0.00 -1.68 0.00 0.00 37.83 32.47 1yjj s LYS 2 CO 0.00 -0.60 -0.11 0.08 -0.76 0.00 0.00 175.35 173.96 1yjj s VAL 3 N 2.96 2.89 -0.13 3.17 1.01 -0.11 -0.45 120.40 129.74 1yjj s VAL 3 Ca 0.35 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1yjj s VAL 3 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1yjj s VAL 3 CO 0.09 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 1yjj s VAL 4 N 1.26 3.43 -0.26 2.92 1.01 -0.36 -0.27 120.40 128.13 1yjj s VAL 4 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1yjj s VAL 4 Cb -0.14 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1yjj s VAL 4 CO -0.05 0.53 0.05 -0.31 0.00 0.00 0.00 175.10 175.32 1yjj s TYR 5 N 0.13 3.08 -0.42 5.22 1.51 0.37 -0.27 117.35 126.97 1yjj s TYR 5 Ca -0.04 -0.78 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 1yjj s TYR 5 Cb -0.14 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1yjj s TYR 5 CO 0.04 -0.50 0.32 0.08 -1.11 0.00 0.00 175.55 174.38 1yjj s VAL 6 N 1.53 5.24 0.80 0.71 1.01 0.31 -1.61 120.40 128.40 1yjj s VAL 6 Ca 0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1yjj s VAL 6 Cb -0.16 -3.96 0.19 0.00 0.00 0.00 0.00 36.38 32.46 1yjj s VAL 6 CO 0.02 -0.34 0.91 -1.54 0.00 0.00 0.00 175.10 174.14 1yjj n SER 7 N 5.20 -0.71 -0.00 3.32 3.41 -0.69 -0.76 113.62 123.39 1yjj n SER 7 Ca -0.11 -1.20 -0.18 0.00 -0.26 0.00 0.00 58.87 57.12 1yjj n SER 7 Cb 0.47 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.53 1yjj n SER 7 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1yjj h HIS 8 N -1.92 0.32 0.00 7.33 2.07 -1.74 -3.16 115.15 118.05 1yjj h HIS 8 Ca -0.31 -0.23 0.00 0.00 -2.85 0.00 0.00 60.37 56.98 1yjj h HIS 8 Cb 0.89 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1yjj h HIS 8 CO 0.00 1.21 0.00 -0.40 -3.07 0.00 0.00 177.93 175.67 1yjj n ASP 9 N -4.31 0.00 0.00 3.10 5.75 -1.26 -4.78 116.55 115.05 1yjj n ASP 9 Ca -0.13 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1yjj n ASP 9 Cb 0.69 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1yjj n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 10 N -1.01 0.50 3.72 6.12 0.00 -1.19 -5.05 105.19 108.28 1yjj n GLY 10 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1yjj n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yjj s THR 11 N -2.14 3.28 -0.16 2.61 -1.32 -1.26 -4.69 115.64 111.96 1yjj s THR 11 Ca 0.00 0.97 -0.06 0.00 -1.21 0.00 0.00 61.69 61.38 1yjj s THR 11 Cb 0.00 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1yjj s THR 11 CO 0.00 0.10 0.06 -0.13 -2.21 0.00 0.00 174.62 172.45 1yjj s ARG 12 N 0.62 3.73 -0.13 7.08 0.52 -1.26 -1.70 118.95 127.81 1yjj s ARG 12 Ca 0.61 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 1yjj s ARG 12 Cb -0.37 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 31.99 1yjj s ARG 12 CO 0.33 0.43 -0.12 0.50 0.02 0.00 0.00 175.30 176.47 1yjj s ARG 13 N -0.07 1.95 -0.14 3.54 6.06 -0.63 -4.96 118.95 124.69 1yjj s ARG 13 Ca 0.07 -0.43 -0.03 0.00 -2.50 0.00 0.00 55.73 52.84 1yjj s ARG 13 Cb -0.12 -1.84 -0.03 0.00 0.06 0.00 0.00 34.95 33.02 1yjj s ARG 13 CO 0.01 -0.22 -0.04 -1.21 -2.50 0.00 0.00 175.30 171.34 1yjj s GLU 14 N 1.49 3.56 0.37 5.12 8.01 -1.26 -0.48 118.70 135.50 1yjj s GLU 14 Ca 0.03 -0.52 0.05 0.00 0.01 0.00 0.00 54.97 54.54 1yjj s GLU 14 Cb -0.13 -2.88 -0.06 0.00 -4.31 0.00 0.00 34.13 26.75 1yjj s GLU 14 CO -0.08 0.30 0.05 -0.51 0.01 0.00 0.00 175.26 175.03 1yjj s LEU 15 N 0.19 2.39 -0.29 1.80 1.43 0.63 -4.94 118.68 119.88 1yjj s LEU 15 Ca -0.02 -1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 51.60 1yjj s LEU 15 Cb -0.14 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.55 1yjj s LEU 15 CO 0.03 -0.60 0.08 -0.62 0.23 0.00 0.00 176.35 175.47 1yjj s ASP 16 N -3.59 5.13 -0.21 2.29 2.15 -1.26 -0.93 116.67 120.25 1yjj s ASP 16 Ca 0.33 -0.69 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 1yjj s ASP 16 Cb 0.08 -1.88 -0.01 0.00 -0.30 0.00 0.00 42.92 40.81 1yjj s ASP 16 CO 0.15 -0.19 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.23 1yjj s VAL 17 N 1.51 3.43 0.87 1.11 1.01 -1.10 -4.86 120.40 122.36 1yjj s VAL 17 Ca 0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1yjj s VAL 17 Cb -0.17 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.77 1yjj s VAL 17 CO 0.03 0.43 1.09 0.00 0.00 0.00 0.00 175.10 176.65 1yjj s ALA 18 N 1.32 1.71 0.39 5.51 0.00 -1.26 -2.09 121.76 127.33 1yjj s ALA 18 Ca 0.04 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1yjj s ALA 18 Cb -0.14 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1yjj s ALA 18 CO -0.02 -2.24 1.47 0.16 0.00 0.00 0.00 175.76 175.13 1yjj s ASP 19 N -3.33 6.25 0.00 0.00 -4.77 -1.26 -1.66 116.67 111.90 1yjj s ASP 19 Ca 0.63 3.02 0.00 0.00 -3.30 0.00 0.00 52.55 52.90 1yjj s ASP 19 Cb -0.18 -2.67 0.00 0.00 -1.09 0.00 0.00 42.92 38.98 1yjj s ASP 19 CO 0.57 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 176.11 1yjj n GLY 20 N 0.48 1.51 3.89 2.12 0.00 -1.10 -5.01 105.19 107.09 1yjj n GLY 20 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1yjj n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yjj s VAL 21 N -3.66 5.11 0.07 1.61 1.01 -0.67 -4.88 120.40 119.00 1yjj s VAL 21 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1yjj s VAL 21 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1yjj s VAL 21 CO 0.00 0.05 0.37 -0.94 0.00 0.00 0.00 175.10 174.58 1yjj s SER 22 N -2.33 6.58 0.05 3.32 1.04 -1.26 -1.39 113.70 119.70 1yjj s SER 22 Ca 0.41 0.70 0.03 0.00 0.48 0.00 0.00 55.95 57.57 1yjj s SER 22 Cb -0.12 -2.14 0.14 0.00 0.10 0.00 0.00 66.02 63.99 1yjj s SER 22 CO 0.23 0.17 0.96 0.18 0.98 0.00 0.00 173.24 175.76 1yjj n LEU 23 N 0.81 0.07 0.05 2.42 4.77 -1.17 0.67 117.00 124.62 1yjj n LEU 23 Ca -0.08 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1yjj n LEU 23 Cb 0.52 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1yjj n LEU 23 CO 0.43 -0.44 -0.25 -0.03 -1.33 0.00 0.00 177.39 175.78 1yjj h MET 24 N 0.00 0.17 0.14 3.23 1.85 -1.85 -2.72 114.93 115.75 1yjj h MET 24 Ca 0.00 -0.29 -0.01 0.00 -0.61 0.00 0.00 59.70 58.80 1yjj h MET 24 Cb 0.27 0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1yjj h MET 24 CO 0.00 1.01 -0.07 1.96 -0.40 0.00 0.00 176.91 179.42 1yjj h GLN 25 N 0.05 -0.18 0.00 0.39 7.50 -0.13 -3.02 115.11 119.71 1yjj h GLN 25 Ca -0.20 0.01 -0.11 0.00 0.50 0.00 0.00 58.65 58.86 1yjj h GLN 25 Cb 1.96 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.52 1yjj h GLN 25 CO 0.15 0.26 -0.51 0.00 -1.50 0.00 0.00 178.83 177.23 1yjj h ALA 26 N -0.05 1.09 0.23 3.87 0.00 -1.67 -3.27 119.26 119.46 1yjj h ALA 26 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1yjj h ALA 26 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yjj h ALA 26 CO 0.03 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 1yjj h ALA 27 N 1.49 -0.32 -0.09 0.00 0.00 -1.55 -1.99 119.26 116.80 1yjj h ALA 27 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1yjj h ALA 27 Cb 0.94 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yjj h ALA 27 CO 0.07 -0.48 0.48 0.28 0.00 0.00 0.00 179.25 179.60 1yjj h VAL 28 N -0.71 0.06 0.00 0.00 2.07 -1.59 0.53 116.25 116.61 1yjj h VAL 28 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1yjj h VAL 28 Cb 0.49 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1yjj h VAL 28 CO 0.05 0.00 -1.41 -0.24 0.02 0.00 0.00 177.57 176.00 1yjj n SER 29 N -2.96 0.51 -1.44 0.57 2.88 -1.03 -3.87 113.62 108.28 1yjj n SER 29 Ca 0.01 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.85 1yjj n SER 29 Cb 0.55 1.07 0.34 0.00 -0.75 0.00 0.00 64.21 65.42 1yjj n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1yjj n ASN 30 N -2.51 4.22 -1.65 -3.46 3.02 0.18 -4.93 115.26 110.13 1yjj n ASN 30 Ca -0.02 -2.16 -0.12 0.00 -0.03 0.00 0.00 54.58 52.26 1yjj n ASN 30 Cb 0.56 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1yjj n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yjj n GLY 31 N 1.49 0.03 0.03 7.41 0.00 -0.71 -4.92 105.19 108.52 1yjj n GLY 31 Ca 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1yjj n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yjj n ILE 32 N -3.92 0.35 1.45 -0.61 5.41 -0.95 -4.64 119.36 116.45 1yjj n ILE 32 Ca -0.07 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1yjj n ILE 32 Cb 0.57 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 1yjj n ILE 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yjj n TYR 33 N -2.48 0.00 -0.09 1.39 9.36 -1.24 -4.63 117.16 119.47 1yjj n TYR 33 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1yjj n TYR 33 Cb 0.63 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 1yjj n TYR 33 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1yjj n ASP 34 N -0.48 0.00 0.00 2.98 5.68 -1.26 -3.93 116.55 119.54 1yjj n ASP 34 Ca 0.00 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1yjj n ASP 34 Cb 0.01 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1yjj n ASP 34 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1yjj n ILE 35 N 2.64 0.00 -3.64 2.12 5.41 -1.26 -5.11 119.36 119.52 1yjj n ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1yjj n ILE 35 Cb 0.00 -0.71 -0.06 0.00 -0.71 0.00 0.00 39.64 38.16 1yjj n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1yjj s VAL 36 N 0.00 -0.01 -1.51 1.39 0.11 -1.25 -5.04 120.40 114.09 1yjj s VAL 36 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1yjj s VAL 36 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1yjj s VAL 36 CO 0.00 0.00 2.56 0.61 -3.33 0.00 0.00 175.10 174.94 1yjj n GLY 37 N 3.52 4.47 0.00 6.54 0.00 -1.26 -4.72 105.19 113.74 1yjj n GLY 37 Ca -0.18 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1yjj n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yjj n ASP 38 N 4.20 0.00 0.02 1.61 -0.08 -1.26 -4.25 116.55 116.79 1yjj n ASP 38 Ca 0.65 0.74 0.11 0.00 -1.51 0.00 0.00 54.79 54.77 1yjj n ASP 38 Cb 0.30 -0.39 -0.04 0.00 2.34 0.00 0.00 41.12 43.32 1yjj n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yjj n GLY 40 N 1.36 0.77 0.18 0.00 0.00 -1.26 -2.54 105.19 103.71 1yjj n GLY 40 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1yjj n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yjj n GLY 41 N -1.58 1.12 1.66 -0.02 0.00 -1.26 -4.97 105.19 100.13 1yjj n GLY 41 Ca -0.06 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1yjj n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yjj n SER 42 N 0.18 4.95 -3.36 1.61 7.64 -1.05 -4.89 113.62 118.71 1yjj n SER 42 Ca 0.00 -2.62 -0.13 0.00 1.01 0.00 0.00 58.87 57.13 1yjj n SER 42 Cb 0.01 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1yjj n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yjj n ALA 43 N 0.86 -2.57 -1.31 -0.43 0.00 -1.26 -4.92 120.51 110.88 1yjj n ALA 43 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1yjj n ALA 43 Cb 0.98 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1yjj n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yjj n SER 44 N -2.34 0.00 -2.21 0.00 7.64 -1.26 -4.92 113.62 110.53 1yjj n SER 44 Ca -0.09 -1.00 -0.10 0.00 1.01 0.00 0.00 58.87 58.69 1yjj n SER 44 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1yjj n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yjj n ALA 46 N -1.69 2.38 0.09 0.00 0.00 -1.26 -4.84 120.51 115.18 1yjj n ALA 46 Ca -0.07 -2.36 -0.07 0.00 0.00 0.00 0.00 53.44 50.94 1yjj n ALA 46 Cb 0.34 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1yjj n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yjj h THR 47 N 6.89 1.59 0.00 0.00 1.03 -1.91 -3.23 112.91 117.28 1yjj h THR 47 Ca -0.22 -2.91 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 1yjj h THR 47 Cb 1.88 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 71.56 1yjj h THR 47 CO 0.10 0.84 0.00 0.00 -0.01 0.00 0.00 175.52 176.44 1yjj s HIS 49 N 0.12 2.05 0.31 0.00 5.04 -1.22 -2.10 115.29 119.49 1yjj s HIS 49 Ca 0.00 0.56 0.01 0.00 -1.54 0.00 0.00 55.06 54.08 1yjj s HIS 49 Cb 0.00 -4.04 -0.02 0.00 0.04 0.00 0.00 32.58 28.57 1yjj s HIS 49 CO 0.00 -2.92 0.36 0.14 -2.34 0.00 0.00 174.74 169.98 1yjj s VAL 50 N 5.58 0.00 -0.21 0.89 -7.23 -1.24 -4.56 120.40 113.63 1yjj s VAL 50 Ca 0.73 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1yjj s VAL 50 Cb -0.24 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.19 1yjj s VAL 50 CO 0.30 0.00 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.63 1yjj s TYR 51 N -3.41 2.97 -0.07 2.82 2.02 0.56 -3.17 117.35 119.08 1yjj s TYR 51 Ca 0.35 -1.85 -0.21 0.00 -0.37 0.00 0.00 57.07 55.00 1yjj s TYR 51 Cb 0.02 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 1yjj s TYR 51 CO 0.21 -0.82 0.59 0.08 -1.57 0.00 0.00 175.55 174.04 1yjj s VAL 52 N 1.24 5.07 -0.18 0.71 1.01 -1.26 0.25 120.40 127.23 1yjj s VAL 52 Ca 0.00 1.21 -0.38 0.00 0.00 0.00 0.00 61.98 62.82 1yjj s VAL 52 Cb -0.16 -3.93 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1yjj s VAL 52 CO -0.09 0.32 1.79 -3.20 0.00 0.00 0.00 175.10 173.92 1yjj n ASN 53 N 3.46 2.81 0.00 3.32 5.15 -0.08 -4.67 115.26 125.25 1yjj n ASN 53 Ca -0.05 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 1yjj n ASN 53 Cb 0.51 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 1yjj n ASN 53 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1yjj n GLU 54 N 5.78 0.00 0.06 1.20 0.28 -1.26 -0.78 120.64 125.91 1yjj n GLU 54 Ca 0.25 0.05 0.12 0.00 -0.16 0.00 0.00 57.16 57.42 1yjj n GLU 54 Cb 0.20 -1.57 0.22 0.00 1.43 0.00 0.00 31.44 31.72 1yjj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj n ALA 55 N -0.83 2.91 0.17 -1.84 0.00 -1.26 -3.89 120.51 115.76 1yjj n ALA 55 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.23 1yjj n ALA 55 Cb 0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1yjj n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yjj n PHE 56 N -2.04 0.00 -0.05 0.00 3.01 0.04 -4.63 117.46 113.79 1yjj n PHE 56 Ca 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.38 1yjj n PHE 56 Cb 0.42 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 1yjj n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1yjj h THR 57 N 0.29 1.29 -0.22 4.37 1.35 -1.67 -1.12 112.91 117.21 1yjj h THR 57 Ca 0.00 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1yjj h THR 57 Cb 0.12 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1yjj h THR 57 CO 0.00 0.55 0.00 -0.90 -0.25 0.00 0.00 175.52 174.92 1yjj n ASP 58 N -3.99 1.77 -0.05 5.36 5.75 -1.26 -4.08 116.55 120.04 1yjj n ASP 58 Ca -0.03 -1.78 -0.10 0.00 -0.01 0.00 0.00 54.79 52.87 1yjj n ASP 58 Cb 0.61 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 1yjj n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yjj n LYS 59 N 0.40 0.24 -1.36 0.11 5.02 -1.15 -5.01 118.16 116.42 1yjj n LYS 59 Ca 0.15 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 1yjj n LYS 59 Cb 0.33 -1.03 0.08 0.00 -0.02 0.00 0.00 35.03 34.39 1yjj n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yjj s VAL 60 N -2.20 3.48 -0.11 -0.18 0.11 -0.43 -4.88 120.40 116.18 1yjj s VAL 60 Ca -0.15 0.48 -0.32 0.00 -2.93 0.00 0.00 61.98 59.07 1yjj s VAL 60 Cb 0.05 -3.05 -0.09 0.00 -1.53 0.00 0.00 36.38 31.75 1yjj s VAL 60 CO 0.21 -0.63 2.02 -0.81 -3.33 0.00 0.00 175.10 172.56 1yjj n PRO 61 N -3.43 2.24 -1.49 1.54 -0.04 -1.26 -4.86 135.00 127.70 1yjj n PRO 61 Ca 0.08 0.77 -0.59 0.00 -0.04 0.00 0.00 63.50 63.73 1yjj n PRO 61 Cb 0.53 -2.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 1yjj n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yjj n ALA 62 N 8.34 -3.55 -1.43 0.55 0.00 -1.26 -4.85 120.51 118.31 1yjj n ALA 62 Ca 0.25 0.59 -0.35 0.00 0.00 0.00 0.00 53.44 53.93 1yjj n ALA 62 Cb 0.36 -1.75 0.10 0.00 0.00 0.00 0.00 19.45 18.16 1yjj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yjj n ALA 63 N 1.57 0.60 -2.12 0.00 0.00 -1.26 -4.99 120.51 114.31 1yjj n ALA 63 Ca 0.20 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1yjj n ALA 63 Cb 0.07 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 1yjj n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yjj s ASN 64 N -1.73 6.44 0.12 0.00 4.22 -1.26 -4.94 114.94 117.79 1yjj s ASN 64 Ca 0.78 1.18 0.08 0.00 -2.14 0.00 0.00 52.86 52.77 1yjj s ASN 64 Cb -0.34 -2.35 0.45 0.00 1.28 0.00 0.00 41.25 40.29 1yjj s ASN 64 CO 0.45 -0.52 1.25 -1.84 -2.04 0.00 0.00 177.10 174.40 1yjj n GLU 65 N -1.74 0.05 0.06 3.55 0.28 -1.26 -1.61 120.64 119.97 1yjj n GLU 65 Ca 0.03 0.55 -0.08 0.00 -0.16 0.00 0.00 57.16 57.51 1yjj n GLU 65 Cb 0.54 -1.68 0.07 0.00 1.43 0.00 0.00 31.44 31.81 1yjj n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj h ARG 66 N 0.00 0.35 -0.16 3.44 2.47 -1.95 -3.10 114.38 115.42 1yjj h ARG 66 Ca 0.00 -0.25 -0.18 0.00 -1.26 0.00 0.00 59.98 58.28 1yjj h ARG 66 Cb 0.00 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1yjj h ARG 66 CO 0.00 0.88 -0.64 0.93 0.56 0.00 0.00 179.97 181.69 1yjj h GLU 67 N 0.25 0.60 -0.95 0.04 3.07 -1.66 -3.02 114.58 112.92 1yjj h GLU 67 Ca -0.01 -0.43 0.17 0.00 -0.50 0.00 0.00 59.36 58.59 1yjj h GLU 67 Cb 1.18 0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 29.06 1yjj h GLU 67 CO 0.11 1.05 0.54 0.82 -1.40 0.00 0.00 179.01 180.13 1yjj h ILE 68 N 0.44 0.71 -0.02 3.13 5.03 -1.59 1.67 117.51 126.89 1yjj h ILE 68 Ca -0.01 -0.24 -0.15 0.00 -0.12 0.00 0.00 64.86 64.33 1yjj h ILE 68 Cb 1.22 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.93 1yjj h ILE 68 CO 0.12 0.13 -0.69 1.23 -0.68 0.00 0.00 178.15 178.26 1yjj h GLY 69 N 0.71 0.10 1.65 5.37 0.00 -1.56 -2.85 103.07 106.49 1yjj h GLY 69 Ca 0.54 -0.15 -0.27 0.00 0.00 0.00 0.00 47.33 47.45 1yjj h GLY 69 CO -0.38 0.13 -1.22 -0.33 0.00 0.00 0.00 176.54 174.75 1yjj h MET 70 N 0.06 0.27 -0.36 4.80 2.86 -0.61 -3.14 114.93 118.80 1yjj h MET 70 Ca -0.01 -0.44 0.08 0.00 -2.06 0.00 0.00 59.70 57.26 1yjj h MET 70 Cb 1.23 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 1yjj h MET 70 CO 0.10 1.21 0.25 -0.07 1.06 0.00 0.00 176.91 179.46 1yjj h LEU 71 N 0.08 0.14 -0.01 1.22 3.38 0.24 0.53 115.31 120.88 1yjj h LEU 71 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1yjj h LEU 71 Cb 1.94 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1yjj h LEU 71 CO 0.20 0.09 -0.10 1.21 0.09 0.00 0.00 178.44 179.93 1yjj n GLU 72 N -4.46 0.08 -0.43 1.13 4.07 -1.08 -3.19 120.64 116.74 1yjj n GLU 72 Ca 0.05 -0.01 0.10 0.00 -0.06 0.00 0.00 57.16 57.23 1yjj n GLU 72 Cb 0.33 -1.50 0.31 0.00 -0.06 0.00 0.00 31.44 30.51 1yjj n GLU 72 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yjj s VAL 74 N -1.36 3.45 -0.21 0.00 -7.23 -1.05 -4.91 120.40 109.09 1yjj s VAL 74 Ca 0.46 0.47 0.22 0.00 -1.81 0.00 0.00 61.98 61.32 1yjj s VAL 74 Cb 0.26 -3.32 -0.13 0.00 0.56 0.00 0.00 36.38 33.76 1yjj s VAL 74 CO 0.27 -0.61 0.85 0.41 -0.31 0.00 0.00 175.10 175.70 1yjj n THR 75 N -3.20 0.36 -2.96 5.32 -1.04 -1.26 -4.96 114.28 106.53 1yjj n THR 75 Ca 0.07 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.38 1yjj n THR 75 Cb 0.56 -0.16 0.07 0.00 -1.82 0.00 0.00 70.33 68.98 1yjj n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yjj s ALA 76 N -3.40 4.56 0.05 2.41 0.00 -1.26 -4.99 121.76 119.14 1yjj s ALA 76 Ca -0.03 -2.11 -0.31 0.00 0.00 0.00 0.00 51.96 49.52 1yjj s ALA 76 Cb 0.12 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 1yjj s ALA 76 CO 0.83 -0.99 1.29 -2.00 0.00 0.00 0.00 175.76 174.89 1yjj s GLU 77 N -4.76 4.36 0.54 0.00 2.12 -1.26 -5.01 118.70 114.70 1yjj s GLU 77 Ca 0.63 1.89 -0.11 0.00 0.36 0.00 0.00 54.97 57.73 1yjj s GLU 77 Cb -0.05 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1yjj s GLU 77 CO 0.40 -0.39 0.94 -1.17 -0.54 0.00 0.00 175.26 174.51 1yjj s LEU 78 N 1.44 3.47 0.24 2.70 2.96 -1.26 -5.08 118.68 123.16 1yjj s LEU 78 Ca 0.61 1.33 0.11 0.00 -0.22 0.00 0.00 54.13 55.97 1yjj s LEU 78 Cb -0.31 -4.32 -0.05 0.00 0.50 0.00 0.00 46.19 42.01 1yjj s LEU 78 CO 0.28 -0.69 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.87 1yjj s LYS 79 N -4.67 1.58 0.44 1.98 -0.14 -1.26 -4.99 119.74 112.68 1yjj s LYS 79 Ca 0.54 -1.66 0.10 0.00 -1.36 0.00 0.00 55.97 53.59 1yjj s LYS 79 Cb -0.11 -1.72 0.97 0.00 -1.68 0.00 0.00 37.83 35.29 1yjj s LYS 79 CO 0.44 0.34 2.08 -1.00 -0.76 0.00 0.00 175.35 176.45 1yjj h PRO 80 N 2.65 0.40 -0.44 -1.68 0.13 -2.03 -1.57 132.00 129.46 1yjj h PRO 80 Ca -0.42 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1yjj h PRO 80 Cb 1.24 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1yjj h PRO 80 CO 0.56 0.26 0.04 0.27 -0.23 0.00 0.00 178.00 178.90 1yjj n ASN 81 N -4.49 4.51 -4.77 1.44 0.23 -1.26 -5.00 115.26 105.92 1yjj n ASN 81 Ca 0.02 -3.08 -0.38 0.00 -0.53 0.00 0.00 54.58 50.61 1yjj n ASN 81 Cb 0.07 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1yjj n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1yjj s SER 82 N -1.50 6.01 -0.21 0.53 0.15 -0.59 -4.27 113.70 113.82 1yjj s SER 82 Ca 0.48 2.47 -0.22 0.00 0.70 0.00 0.00 55.95 59.39 1yjj s SER 82 Cb 0.39 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 62.14 1yjj s SER 82 CO 0.11 -1.04 0.61 -0.13 1.20 0.00 0.00 173.24 173.99 1yjj s ARG 83 N -2.64 0.74 0.58 5.44 0.52 -1.19 -4.94 118.95 117.47 1yjj s ARG 83 Ca 0.64 0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 56.43 1yjj s ARG 83 Cb -0.33 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 1yjj s ARG 83 CO 0.40 -0.11 1.21 -0.51 0.02 0.00 0.00 175.30 176.31 1yjj s LEU 84 N 0.15 3.69 0.00 2.53 1.02 -1.26 -3.69 118.68 121.12 1yjj s LEU 84 Ca -0.01 2.39 0.26 0.00 0.02 0.00 0.00 54.13 56.79 1yjj s LEU 84 Cb -0.04 -4.57 0.67 0.00 0.02 0.00 0.00 46.19 42.27 1yjj s LEU 84 CO 0.02 -1.54 1.53 0.00 0.02 0.00 0.00 176.35 176.38 1yjj n GLN 87 N -2.79 3.15 -4.42 0.00 1.13 -1.26 -4.73 117.38 108.47 1yjj n GLN 87 Ca -0.08 -1.86 -0.34 0.00 -1.94 0.00 0.00 57.00 52.78 1yjj n GLN 87 Cb 0.77 -1.87 -0.14 0.00 0.11 0.00 0.00 30.24 29.12 1yjj n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yjj s ILE 88 N -1.96 3.33 -0.26 5.09 -1.09 -1.25 -4.87 121.20 120.19 1yjj s ILE 88 Ca 0.33 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 58.10 1yjj s ILE 88 Cb 0.24 -2.45 -0.05 0.00 -1.58 0.00 0.00 42.46 38.62 1yjj s ILE 88 CO 0.11 0.49 0.15 -0.63 -1.23 0.00 0.00 174.94 173.84 1yjj s ILE 89 N 0.70 5.13 0.58 2.92 -1.09 -1.26 -3.03 121.20 125.15 1yjj s ILE 89 Ca -0.04 0.10 -0.14 0.00 -2.23 0.00 0.00 60.65 58.35 1yjj s ILE 89 Cb -0.15 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1yjj s ILE 89 CO 0.02 0.31 1.02 -0.32 -1.23 0.00 0.00 174.94 174.74 1yjj s MET 90 N 1.43 3.62 -0.03 2.79 1.75 -0.49 -4.80 119.30 123.58 1yjj s MET 90 Ca 0.07 0.91 -0.13 0.00 -1.25 0.00 0.00 55.69 55.28 1yjj s MET 90 Cb -0.15 -2.09 0.02 0.00 2.84 0.00 0.00 34.83 35.46 1yjj s MET 90 CO 0.07 -0.54 0.28 0.95 -0.65 0.00 0.00 175.02 175.13 1yjj s THR 91 N -2.86 0.05 0.24 10.11 -4.23 -1.26 -2.71 115.64 114.97 1yjj s THR 91 Ca 0.58 -0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1yjj s THR 91 Cb -0.12 -0.56 0.20 0.00 1.34 0.00 0.00 72.50 73.37 1yjj s THR 91 CO 0.43 -0.24 1.83 1.55 -0.54 0.00 0.00 174.62 177.65 1yjj h PRO 92 N 4.19 0.83 -0.81 3.99 0.13 -1.93 -1.59 132.00 136.81 1yjj h PRO 92 Ca -0.29 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.85 1yjj h PRO 92 Cb 1.18 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1yjj h PRO 92 CO 0.39 0.55 0.53 1.05 -0.23 0.00 0.00 178.00 180.29 1yjj h GLU 93 N 0.86 0.88 -0.84 0.86 4.11 -2.01 -0.39 114.58 118.04 1yjj h GLU 93 Ca 0.37 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.72 1yjj h GLU 93 Cb 0.25 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1yjj h GLU 93 CO -0.21 0.58 0.04 1.28 0.07 0.00 0.00 179.01 180.77 1yjj n LEU 94 N -4.48 3.30 -4.72 3.06 4.77 -0.61 -4.94 117.00 113.40 1yjj n LEU 94 Ca 0.12 -1.68 -0.42 0.00 -0.03 0.00 0.00 56.01 53.99 1yjj n LEU 94 Cb 0.19 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1yjj n LEU 94 CO 0.34 0.46 0.98 -0.90 -1.33 0.00 0.00 177.39 176.94 1yjj n ASP 95 N 0.22 3.05 0.00 -1.43 5.75 -0.16 -3.10 116.55 120.88 1yjj n ASP 95 Ca 0.14 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.12 1yjj n ASP 95 Cb 0.72 -1.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.29 1yjj n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 96 N 0.90 0.75 3.66 6.12 0.00 0.40 -4.75 105.19 112.27 1yjj n GLY 96 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1yjj n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yjj n ILE 97 N -0.98 0.00 -3.84 -0.61 0.13 -1.10 -4.79 119.36 108.16 1yjj n ILE 97 Ca 0.00 -0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.29 1yjj n ILE 97 Cb 0.00 -1.47 -0.12 0.00 -0.84 0.00 0.00 39.64 37.21 1yjj n ILE 97 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1yjj s VAL 98 N 0.89 4.34 -0.16 9.51 1.01 -1.26 -1.22 120.40 133.50 1yjj s VAL 98 Ca 0.79 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1yjj s VAL 98 Cb -0.71 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1yjj s VAL 98 CO 0.39 0.37 -0.03 -0.69 0.00 0.00 0.00 175.10 175.13 1yjj s VAL 99 N 1.35 3.86 -0.28 2.92 1.01 0.62 -0.90 120.40 128.98 1yjj s VAL 99 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1yjj s VAL 99 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1yjj s VAL 99 CO 0.03 0.48 0.13 -1.81 0.00 0.00 0.00 175.10 173.94 1yjj s ASP 100 N 0.50 5.54 -0.19 3.32 1.01 0.70 0.11 116.67 127.68 1yjj s ASP 100 Ca -0.03 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 52.95 1yjj s ASP 100 Cb -0.14 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 1yjj s ASP 100 CO 0.03 -0.08 0.01 -0.69 0.21 0.00 0.00 175.17 174.64 1yjj s VAL 101 N 1.66 4.13 0.17 -1.27 1.01 0.06 0.21 120.40 126.37 1yjj s VAL 101 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1yjj s VAL 101 Cb -0.16 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1yjj s VAL 101 CO 0.07 0.45 0.23 -0.81 0.00 0.00 0.00 175.10 175.04 1yjj n PRO 102 N 3.95 -0.22 0.04 2.72 -0.04 -1.26 -2.68 135.00 137.50 1yjj n PRO 102 Ca -0.17 -0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.04 1yjj n PRO 102 Cb 0.52 -0.24 0.10 0.00 -0.04 0.00 0.00 33.50 33.84 1yjj n PRO 102 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1yjj n ASP 103 N -3.15 0.64 -3.99 3.54 9.92 -1.26 -4.52 116.55 117.73 1yjj n ASP 103 Ca 0.03 -0.09 -0.31 0.00 -0.53 0.00 0.00 54.79 53.89 1yjj n ASP 103 Cb 0.10 0.50 -0.16 0.00 -0.64 0.00 0.00 41.12 40.93 1yjj n ASP 103 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1yjj s ARG 104 N -3.17 1.91 0.00 -1.24 1.81 -1.26 -4.92 118.95 112.09 1yjj s ARG 104 Ca 0.05 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1yjj s ARG 104 Cb 0.14 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.04 1yjj s ARG 104 CO 0.76 -0.53 0.00 0.00 -0.68 0.00 0.00 175.30 174.85 1yjj n GLN 105 N 4.62 2.71 0.00 3.54 10.64 -1.26 -4.16 117.38 133.47 1yjj n GLN 105 Ca -0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.04 1yjj n GLN 105 Cb 0.44 -0.84 0.00 0.00 -0.86 0.00 0.00 30.24 28.98 1yjj n GLN 105 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14