#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 4.21 -0.15 4.33 -0.14 -1.26 -2.84 119.74 123.89 1yjj s LYS 2 Ca 0.00 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.41 1yjj s LYS 2 Cb 0.00 -3.61 0.01 0.00 -1.68 0.00 0.00 37.83 32.56 1yjj s LYS 2 CO 0.00 -0.36 -0.21 0.08 -0.76 0.00 0.00 175.35 174.10 1yjj s VAL 3 N 2.30 2.13 -0.13 3.17 1.01 -0.36 0.83 120.40 129.34 1yjj s VAL 3 Ca 0.32 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1yjj s VAL 3 Cb -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1yjj s VAL 3 CO 0.10 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.96 1yjj s VAL 4 N 0.93 3.41 -0.23 2.92 1.01 -0.08 -0.56 120.40 127.80 1yjj s VAL 4 Ca -0.04 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1yjj s VAL 4 Cb -0.15 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1yjj s VAL 4 CO -0.04 0.52 0.00 -0.31 0.00 0.00 0.00 175.10 175.27 1yjj s TYR 5 N 0.20 3.01 -0.41 5.22 2.02 0.14 0.06 117.35 127.60 1yjj s TYR 5 Ca -0.06 -0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 55.77 1yjj s TYR 5 Cb -0.15 -2.16 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1yjj s TYR 5 CO 0.04 -0.47 0.30 0.08 -1.57 0.00 0.00 175.55 173.93 1yjj s VAL 6 N 1.53 5.26 1.16 0.71 1.01 0.40 -1.66 120.40 128.81 1yjj s VAL 6 Ca 0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1yjj s VAL 6 Cb -0.15 -3.92 0.27 0.00 0.00 0.00 0.00 36.38 32.58 1yjj s VAL 6 CO -0.00 -0.30 1.12 -0.94 0.00 0.00 0.00 175.10 174.98 1yjj s SER 7 N 1.68 1.26 0.04 3.32 1.04 0.02 -0.76 113.70 120.29 1yjj s SER 7 Ca 0.05 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 1yjj s SER 7 Cb -0.19 -0.92 -0.24 0.00 0.10 0.00 0.00 66.02 64.76 1yjj s SER 7 CO 0.10 -3.92 1.13 1.12 0.98 0.00 0.00 173.24 172.65 1yjj h HIS 8 N -2.44 0.86 0.00 5.02 2.07 -1.72 -2.85 115.15 116.09 1yjj h HIS 8 Ca -0.46 -0.48 0.00 0.00 -2.85 0.00 0.00 60.37 56.58 1yjj h HIS 8 Cb 1.29 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1yjj h HIS 8 CO -1.81 1.32 0.00 -0.40 -3.07 0.00 0.00 177.93 173.96 1yjj n ASP 9 N -4.00 0.00 0.00 3.10 5.75 -1.26 -4.78 116.55 115.36 1yjj n ASP 9 Ca -0.11 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1yjj n ASP 9 Cb 0.81 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 -0.55 2.43 3.75 6.12 0.00 -1.08 -5.03 105.19 110.83 1yjj n GLY 10 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.42 3.01 -0.08 2.61 -1.32 -1.26 -4.62 115.64 111.56 1yjj s THR 11 Ca 0.00 0.93 0.01 0.00 -1.21 0.00 0.00 61.69 61.42 1yjj s THR 11 Cb 0.00 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.37 1yjj s THR 11 CO 0.00 0.19 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.36 1yjj s ARG 12 N -1.03 2.80 -0.07 7.08 0.52 -1.26 -0.80 118.95 126.19 1yjj s ARG 12 Ca 0.52 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1yjj s ARG 12 Cb -0.38 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 32.58 1yjj s ARG 12 CO 0.45 0.56 -0.09 -0.98 0.02 0.00 0.00 175.30 175.25 1yjj s ARG 13 N -0.54 1.46 -0.04 3.54 1.70 -0.67 -4.97 118.95 119.43 1yjj s ARG 13 Ca 0.08 -0.30 0.05 0.00 -0.47 0.00 0.00 55.73 55.08 1yjj s ARG 13 Cb -0.12 -1.32 -0.02 0.00 -0.57 0.00 0.00 34.95 32.92 1yjj s ARG 13 CO 0.02 -0.07 -0.18 -1.21 -1.08 0.00 0.00 175.30 172.77 1yjj s GLU 14 N 0.98 2.42 0.36 3.89 8.01 -1.26 -0.68 118.70 132.42 1yjj s GLU 14 Ca -0.09 -0.78 0.04 0.00 0.01 0.00 0.00 54.97 54.15 1yjj s GLU 14 Cb -0.15 -2.27 -0.05 0.00 -4.31 0.00 0.00 34.13 27.35 1yjj s GLU 14 CO 0.00 0.58 0.07 -0.51 0.01 0.00 0.00 175.26 175.41 1yjj s LEU 15 N -0.63 2.18 -0.31 1.80 1.43 0.28 -4.94 118.68 118.49 1yjj s LEU 15 Ca 0.09 -1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 51.66 1yjj s LEU 15 Cb -0.11 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.76 1yjj s LEU 15 CO 0.00 -0.69 0.10 -1.81 0.23 0.00 0.00 176.35 174.18 1yjj s ASP 16 N -3.55 5.23 -0.19 2.29 1.11 -1.26 -1.23 116.67 119.07 1yjj s ASP 16 Ca 0.32 -0.76 -0.03 0.00 0.18 0.00 0.00 52.55 52.26 1yjj s ASP 16 Cb 0.07 -1.90 -0.01 0.00 1.07 0.00 0.00 42.92 42.15 1yjj s ASP 16 CO 0.15 -0.22 -0.06 -0.69 1.18 0.00 0.00 175.17 175.52 1yjj s VAL 17 N 1.50 3.38 0.80 -1.27 1.01 -1.13 -4.89 120.40 119.81 1yjj s VAL 17 Ca 0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1yjj s VAL 17 Cb -0.18 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1yjj s VAL 17 CO 0.03 0.46 1.11 0.00 0.00 0.00 0.00 175.10 176.71 1yjj s ALA 18 N 1.02 2.04 0.35 5.51 0.00 -1.26 -2.72 121.76 126.70 1yjj s ALA 18 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 1yjj s ALA 18 Cb -0.15 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1yjj s ALA 18 CO -0.00 -2.03 1.38 -0.40 0.00 0.00 0.00 175.76 174.71 1yjj n ASP 19 N -3.60 3.17 0.00 0.00 5.75 -1.26 -1.37 116.55 119.24 1yjj n ASP 19 Ca 0.10 1.21 0.00 0.00 -0.01 0.00 0.00 54.79 56.09 1yjj n ASP 19 Cb 0.52 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.08 1yjj n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yjj n GLY 20 N 0.77 1.33 3.87 6.12 0.00 -0.93 -4.97 105.19 111.38 1yjj n GLY 20 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.83 4.88 0.01 1.61 1.01 -0.47 -4.83 120.40 118.79 1yjj s VAL 21 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1yjj s VAL 21 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1yjj s VAL 21 CO 0.00 -0.08 0.55 -0.94 0.00 0.00 0.00 175.10 174.63 1yjj s SER 22 N -2.32 6.96 0.60 3.32 1.04 -1.26 -1.69 113.70 120.35 1yjj s SER 22 Ca 0.48 1.14 0.28 0.00 0.48 0.00 0.00 55.95 58.34 1yjj s SER 22 Cb -0.11 -2.34 1.44 0.00 0.10 0.00 0.00 66.02 65.10 1yjj s SER 22 CO 0.20 0.19 1.84 -0.07 0.98 0.00 0.00 173.24 176.38 1yjj h LEU 23 N 5.21 0.00 -0.54 2.42 3.38 -1.51 1.16 115.31 125.43 1yjj h LEU 23 Ca -0.47 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1yjj h LEU 23 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1yjj h LEU 23 CO 0.67 0.00 -0.52 -0.03 0.09 0.00 0.00 178.44 178.65 1yjj h MET 24 N 0.00 0.00 0.23 1.13 4.05 -1.72 -2.23 114.93 116.39 1yjj h MET 24 Ca 0.21 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 1yjj h MET 24 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1yjj h MET 24 CO -0.00 0.52 -0.11 0.37 0.23 0.00 0.00 176.91 177.91 1yjj h GLN 25 N 0.00 -0.30 0.00 0.39 5.75 0.11 -2.78 115.11 118.28 1yjj h GLN 25 Ca -0.01 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1yjj h GLN 25 Cb 1.16 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1yjj h GLN 25 CO 0.07 0.04 -0.17 0.00 -2.65 0.00 0.00 178.83 176.12 1yjj h ALA 26 N -0.55 1.31 0.46 3.38 0.00 -1.59 -3.16 119.26 119.11 1yjj h ALA 26 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1yjj h ALA 26 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yjj h ALA 26 CO 0.05 0.21 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 1yjj h ALA 27 N 1.83 -0.86 0.00 0.00 0.00 -1.41 -1.73 119.26 117.09 1yjj h ALA 27 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yjj h ALA 27 Cb 0.42 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1yjj h ALA 27 CO 0.02 -0.82 0.61 0.28 0.00 0.00 0.00 179.25 179.35 1yjj h VAL 28 N -0.81 0.00 0.00 0.00 2.07 -1.50 2.38 116.25 118.40 1yjj h VAL 28 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1yjj h VAL 28 Cb 0.47 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1yjj h VAL 28 CO 0.10 0.00 -1.08 -0.24 0.02 0.00 0.00 177.57 176.37 1yjj n SER 29 N -2.59 0.82 -0.57 0.57 2.88 -1.02 -3.81 113.62 109.90 1yjj n SER 29 Ca -0.01 0.32 0.05 0.00 -1.33 0.00 0.00 58.87 57.91 1yjj n SER 29 Cb 0.64 0.48 0.12 0.00 -0.75 0.00 0.00 64.21 64.69 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 -2.68 2.63 -2.45 -3.46 3.02 0.76 -5.00 115.26 108.07 1yjj n ASN 30 Ca -0.01 -1.85 -0.10 0.00 -0.03 0.00 0.00 54.58 52.59 1yjj n ASN 30 Cb 0.58 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.53 -0.08 0.60 7.41 0.00 0.14 -4.99 105.19 108.79 1yjj n GLY 31 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.78 1.20 0.71 -0.61 5.41 -1.12 -4.68 119.36 117.48 1yjj n ILE 32 Ca -0.15 0.28 -0.01 0.00 1.00 0.00 0.00 62.75 63.87 1yjj n ILE 32 Cb 0.59 -1.86 0.04 0.00 -0.71 0.00 0.00 39.64 37.71 1yjj n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1yjj n TYR 33 N -3.77 0.37 -1.10 1.39 4.01 -1.26 -4.83 117.16 111.96 1yjj n TYR 33 Ca -0.06 -0.38 -0.08 0.00 -0.16 0.00 0.00 57.90 57.22 1yjj n TYR 33 Cb 0.21 -0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 1yjj n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1yjj n ASP 34 N 0.17 -0.64 -4.29 7.72 5.75 -1.26 -4.76 116.55 119.24 1yjj n ASP 34 Ca 0.06 -1.63 -0.18 0.00 -0.01 0.00 0.00 54.79 53.03 1yjj n ASP 34 Cb 0.52 -0.77 -0.11 0.00 -1.03 0.00 0.00 41.12 39.73 1yjj n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1yjj s ILE 35 N 5.82 1.52 0.50 2.12 -1.09 -1.26 -5.01 121.20 123.79 1yjj s ILE 35 Ca 0.28 -1.95 0.39 0.00 -2.23 0.00 0.00 60.65 57.14 1yjj s ILE 35 Cb 0.00 -1.78 0.59 0.00 -1.58 0.00 0.00 42.46 39.70 1yjj s ILE 35 CO 0.09 -0.50 1.64 0.58 -1.23 0.00 0.00 174.94 175.52 1yjj h VAL 36 N 3.09 0.14 -5.79 2.92 2.07 -1.97 -3.46 116.25 113.25 1yjj h VAL 36 Ca -0.39 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1yjj h VAL 36 Cb 1.20 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1yjj h VAL 36 CO 0.56 0.01 -1.00 0.61 0.02 0.00 0.00 177.57 177.77 1yjj n GLY 37 N -1.72 -2.01 0.01 2.17 0.00 -1.26 -4.84 105.19 97.53 1yjj n GLY 37 Ca 0.38 0.25 -0.00 0.00 0.00 0.00 0.00 46.02 46.64 1yjj n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yjj h ASP 38 N 3.31 -0.02 0.00 1.61 1.82 -1.96 -3.07 116.42 118.11 1yjj h ASP 38 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1yjj h ASP 38 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1yjj h ASP 38 CO 0.05 -0.01 0.00 0.00 -1.61 0.00 0.00 179.24 177.67 1yjj n GLY 40 N -0.16 0.45 0.00 0.00 0.00 -1.16 -2.56 105.19 101.76 1yjj n GLY 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.70 1.43 1.78 -0.02 0.00 -1.26 -4.99 105.19 100.43 1yjj n GLY 41 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1yjj n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yjj n SER 42 N 0.00 5.35 -3.35 1.61 3.41 -1.06 -4.85 113.62 114.72 1yjj n SER 42 Ca 0.00 -2.85 -0.19 0.00 -0.26 0.00 0.00 58.87 55.57 1yjj n SER 42 Cb 0.00 -0.67 0.06 0.00 -0.26 0.00 0.00 64.21 63.34 1yjj n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yjj n ALA 43 N 0.58 -2.51 -2.01 7.33 0.00 -1.26 -4.93 120.51 117.72 1yjj n ALA 43 Ca 0.26 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1yjj n ALA 43 Cb 1.12 -5.40 -0.00 0.00 0.00 0.00 0.00 19.45 15.17 1yjj n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yjj n SER 44 N -3.09 0.01 -2.04 0.00 2.88 -1.26 -4.98 113.62 105.14 1yjj n SER 44 Ca -0.07 -1.65 -0.07 0.00 -1.33 0.00 0.00 58.87 55.75 1yjj n SER 44 Cb 0.61 -0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1yjj n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yjj n ALA 46 N -1.71 3.51 0.04 0.00 0.00 -1.26 -4.73 120.51 116.35 1yjj n ALA 46 Ca -0.08 -3.12 -0.02 0.00 0.00 0.00 0.00 53.44 50.21 1yjj n ALA 46 Cb 0.32 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 1yjj n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yjj h THR 47 N 2.99 0.75 -0.20 0.00 2.02 -1.83 -3.35 112.91 113.29 1yjj h THR 47 Ca -0.00 -2.33 -0.13 0.00 0.77 0.00 0.00 66.41 64.72 1yjj h THR 47 Cb 1.33 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.94 1yjj h THR 47 CO 0.17 0.43 0.17 0.00 0.37 0.00 0.00 175.52 176.65 1yjj s HIS 49 N -0.75 1.60 0.30 0.00 5.04 -1.24 -3.73 115.29 116.50 1yjj s HIS 49 Ca 0.13 0.50 0.04 0.00 -1.54 0.00 0.00 55.06 54.19 1yjj s HIS 49 Cb 0.10 -4.05 -0.03 0.00 0.04 0.00 0.00 32.58 28.64 1yjj s HIS 49 CO 0.00 -3.53 0.21 0.14 -2.34 0.00 0.00 174.74 169.23 1yjj s VAL 50 N 6.89 0.09 -0.22 0.89 -7.23 -0.68 -4.58 120.40 115.56 1yjj s VAL 50 Ca 0.86 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1yjj s VAL 50 Cb -0.28 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.22 1yjj s VAL 50 CO 0.34 0.00 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.74 1yjj s TYR 51 N -3.63 2.49 -0.03 2.82 2.02 0.30 -1.98 117.35 119.35 1yjj s TYR 51 Ca 0.38 -1.74 -0.21 0.00 -0.37 0.00 0.00 57.07 55.14 1yjj s TYR 51 Cb 0.04 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1yjj s TYR 51 CO 0.21 -0.77 0.60 0.08 -1.57 0.00 0.00 175.55 174.10 1yjj s VAL 52 N 1.37 4.98 -0.11 0.71 1.01 -1.26 0.23 120.40 127.32 1yjj s VAL 52 Ca -0.04 1.24 -0.36 0.00 0.00 0.00 0.00 61.98 62.82 1yjj s VAL 52 Cb -0.18 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 1yjj s VAL 52 CO -0.07 0.37 1.79 -3.20 0.00 0.00 0.00 175.10 173.99 1yjj n ASN 53 N 3.05 3.04 0.00 3.32 5.15 0.16 -4.69 115.26 125.30 1yjj n ASN 53 Ca -0.06 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1yjj n ASN 53 Cb 0.51 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.46 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 5.77 0.00 0.09 1.20 0.28 -1.26 -1.11 120.64 125.61 1yjj n GLU 54 Ca 0.23 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.35 1yjj n GLU 54 Cb 0.24 -1.47 0.13 0.00 1.43 0.00 0.00 31.44 31.77 1yjj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yjj h ALA 55 N 0.91 0.62 -0.00 -1.84 0.00 -1.97 -3.34 119.26 113.64 1yjj h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yjj h ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yjj h ALA 55 CO 0.00 0.00 -0.16 1.19 0.00 0.00 0.00 179.25 180.28 1yjj n PHE 56 N -2.41 0.00 -0.12 0.00 3.01 -0.27 -4.57 117.46 113.10 1yjj n PHE 56 Ca 0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.35 1yjj n PHE 56 Cb 0.48 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 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 0.28 1.27 -0.08 4.37 1.35 -1.68 -0.12 112.91 118.31 1yjj h THR 57 Ca 0.00 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1yjj h THR 57 Cb 0.14 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1yjj h THR 57 CO 0.00 0.52 0.00 -0.90 -0.25 0.00 0.00 175.52 174.89 1yjj n ASP 58 N -4.06 1.23 -0.09 5.36 5.75 -1.26 -3.94 116.55 119.55 1yjj n ASP 58 Ca -0.02 -1.53 -0.16 0.00 -0.01 0.00 0.00 54.79 53.07 1yjj n ASP 58 Cb 0.54 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.00 0.40 -1.17 0.11 5.02 -1.09 -4.96 118.16 116.46 1yjj n LYS 59 Ca 0.18 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 1yjj n LYS 59 Cb 0.28 -1.23 0.12 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.33 2.86 -0.11 -0.18 0.11 -0.08 -4.85 120.40 115.84 1yjj s VAL 60 Ca -0.24 0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 1yjj s VAL 60 Cb 0.08 -2.72 -0.07 0.00 -1.53 0.00 0.00 36.38 32.13 1yjj s VAL 60 CO 0.35 -0.37 2.10 -0.81 -3.33 0.00 0.00 175.10 173.04 1yjj n PRO 61 N -3.80 2.34 -1.40 1.54 -0.04 -1.26 -4.85 135.00 127.52 1yjj n PRO 61 Ca 0.08 0.76 -0.51 0.00 -0.04 0.00 0.00 63.50 63.79 1yjj n PRO 61 Cb 0.54 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 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 9.56 -3.13 -1.75 0.55 0.00 -1.26 -4.83 120.51 119.65 1yjj n ALA 62 Ca 0.26 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.81 1yjj n ALA 62 Cb 0.41 -1.63 0.03 0.00 0.00 0.00 0.00 19.45 18.27 1yjj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yjj s ALA 63 N -0.58 2.81 0.55 0.00 0.00 -1.26 -5.01 121.76 118.28 1yjj s ALA 63 Ca 0.73 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.84 1yjj s ALA 63 Cb -1.04 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 18.53 1yjj s ALA 63 CO 0.55 -1.22 0.90 0.54 0.00 0.00 0.00 175.76 176.53 1yjj s ASN 64 N -1.10 6.12 0.24 0.00 4.22 -1.26 -4.93 114.94 118.22 1yjj s ASN 64 Ca 0.71 1.07 0.12 0.00 -2.14 0.00 0.00 52.86 52.62 1yjj s ASN 64 Cb -0.37 -2.23 0.66 0.00 1.28 0.00 0.00 41.25 40.59 1yjj s ASN 64 CO 0.44 -0.78 1.29 -1.84 -2.04 0.00 0.00 177.10 174.17 1yjj n GLU 65 N -2.50 0.08 0.08 3.55 0.28 -1.26 -1.08 120.64 119.79 1yjj n GLU 65 Ca 0.03 0.54 -0.09 0.00 -0.16 0.00 0.00 57.16 57.48 1yjj n GLU 65 Cb 0.55 -1.93 -0.05 0.00 1.43 0.00 0.00 31.44 31.45 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 0.14 -0.21 3.44 2.47 -1.98 -3.17 114.38 115.07 1yjj h ARG 66 Ca 0.00 -0.18 -0.10 0.00 -1.26 0.00 0.00 59.98 58.44 1yjj h ARG 66 Cb 0.33 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1yjj h ARG 66 CO 0.00 0.98 -0.28 1.49 0.56 0.00 0.00 179.97 182.73 1yjj h GLU 67 N 0.06 0.56 -0.80 0.04 4.81 -1.47 -2.44 114.58 115.34 1yjj h GLU 67 Ca -0.05 -0.32 0.11 0.00 -0.13 0.00 0.00 59.36 58.98 1yjj h GLU 67 Cb 1.63 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.95 1yjj h GLU 67 CO 0.14 0.92 0.43 0.82 -0.73 0.00 0.00 179.01 180.59 1yjj h ILE 68 N 0.24 0.83 -0.01 2.32 5.03 -1.58 0.90 117.51 125.23 1yjj h ILE 68 Ca 0.02 -0.23 -0.14 0.00 -0.12 0.00 0.00 64.86 64.39 1yjj h ILE 68 Cb 0.85 0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.71 1yjj h ILE 68 CO 0.07 0.12 -0.67 1.23 -0.68 0.00 0.00 178.15 178.22 1yjj h GLY 69 N 0.68 0.06 2.00 5.37 0.00 -1.51 -2.74 103.07 106.93 1yjj h GLY 69 Ca 0.41 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1yjj h GLY 69 CO -0.29 0.08 -0.57 -0.33 0.00 0.00 0.00 176.54 175.42 1yjj h MET 70 N 0.04 0.00 0.00 4.80 2.86 -0.59 -3.06 114.93 118.98 1yjj h MET 70 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1yjj h MET 70 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1yjj h MET 70 CO 0.09 0.57 -0.42 -0.07 1.06 0.00 0.00 176.91 178.15 1yjj h LEU 71 N 0.00 0.00 0.00 1.22 3.38 0.97 -1.96 115.31 118.92 1yjj h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yjj h LEU 71 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1yjj h LEU 71 CO 0.07 0.42 -0.14 1.21 0.09 0.00 0.00 178.44 180.09 1yjj n GLU 72 N -3.76 0.17 -0.31 1.13 4.07 -1.06 -3.12 120.64 117.77 1yjj n GLU 72 Ca -0.01 0.12 0.10 0.00 -0.06 0.00 0.00 57.16 57.30 1yjj n GLU 72 Cb 0.49 -1.68 0.27 0.00 -0.06 0.00 0.00 31.44 30.46 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 -1.19 2.36 -0.71 0.00 -7.23 -1.18 -4.78 120.40 107.67 1yjj s VAL 74 Ca 0.40 0.12 0.20 0.00 -1.81 0.00 0.00 61.98 60.89 1yjj s VAL 74 Cb 0.21 -3.04 -0.24 0.00 0.56 0.00 0.00 36.38 33.87 1yjj s VAL 74 CO 0.27 -0.15 0.74 0.41 -0.31 0.00 0.00 175.10 176.06 1yjj n THR 75 N -3.37 0.00 -3.30 5.32 -1.04 -1.22 -4.99 114.28 105.67 1yjj n THR 75 Ca 0.07 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 1yjj n THR 75 Cb 0.60 0.76 0.04 0.00 -1.82 0.00 0.00 70.33 69.90 1yjj n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yjj n ALA 76 N -1.66 0.96 -2.41 2.41 0.00 -1.26 -5.01 120.51 113.54 1yjj n ALA 76 Ca 0.02 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.18 1yjj n ALA 76 Cb 0.37 0.59 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 1yjj n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yjj s GLU 77 N -4.17 4.38 0.60 0.00 2.12 -1.26 -5.02 118.70 115.35 1yjj s GLU 77 Ca 0.44 1.76 -0.13 0.00 0.36 0.00 0.00 54.97 57.40 1yjj s GLU 77 Cb -0.04 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1yjj s GLU 77 CO 0.28 -0.37 1.03 -1.17 -0.54 0.00 0.00 175.26 174.48 1yjj s LEU 78 N 1.69 3.36 0.24 2.70 2.96 -1.26 -5.07 118.68 123.30 1yjj s LEU 78 Ca 0.58 1.55 0.11 0.00 -0.22 0.00 0.00 54.13 56.15 1yjj s LEU 78 Cb -0.28 -4.49 -0.05 0.00 0.50 0.00 0.00 46.19 41.87 1yjj s LEU 78 CO 0.26 -0.93 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.63 1yjj s LYS 79 N -4.70 1.55 0.33 1.98 -0.14 -1.26 -4.99 119.74 112.51 1yjj s LYS 79 Ca 0.58 -1.67 0.05 0.00 -1.36 0.00 0.00 55.97 53.57 1yjj s LYS 79 Cb -0.12 -1.60 0.69 0.00 -1.68 0.00 0.00 37.83 35.11 1yjj s LYS 79 CO 0.45 0.30 1.89 -1.00 -0.76 0.00 0.00 175.35 176.24 1yjj h PRO 80 N 2.54 0.82 -0.62 -1.68 0.13 -2.02 -1.89 132.00 129.28 1yjj h PRO 80 Ca -0.41 -0.05 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1yjj h PRO 80 Cb 1.24 -0.18 -0.26 0.00 0.13 0.00 0.00 31.00 31.92 1yjj h PRO 80 CO 0.58 0.54 -0.18 0.27 -0.23 0.00 0.00 178.00 178.98 1yjj n ASN 81 N -4.53 4.38 -4.76 1.44 2.04 -1.26 -5.04 115.26 107.52 1yjj n ASN 81 Ca 0.15 -3.78 -0.37 0.00 -0.44 0.00 0.00 54.58 50.14 1yjj n ASN 81 Cb 0.33 -0.59 0.02 0.00 -2.53 0.00 0.00 39.78 37.01 1yjj n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1yjj s SER 82 N -2.81 5.64 0.00 0.53 0.15 -0.71 -4.15 113.70 112.35 1yjj s SER 82 Ca 0.51 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.58 1yjj s SER 82 Cb 0.43 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1yjj s SER 82 CO 0.01 -1.29 0.00 0.54 1.20 0.00 0.00 173.24 173.70 1yjj n ARG 83 N -1.01 0.00 -4.29 5.44 5.12 -0.84 -4.88 116.66 116.20 1yjj n ARG 83 Ca 0.10 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.84 1yjj n ARG 83 Cb 0.48 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.70 1yjj n ARG 83 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1yjj s LEU 84 N 0.00 1.68 -0.05 0.55 2.34 -1.26 -1.69 118.68 120.25 1yjj s LEU 84 Ca 0.00 -1.69 0.12 0.00 0.06 0.00 0.00 54.13 52.61 1yjj s LEU 84 Cb 0.00 0.47 -0.18 0.00 -0.56 0.00 0.00 46.19 45.92 1yjj s LEU 84 CO 0.00 -1.02 0.20 0.00 -1.06 0.00 0.00 176.35 174.48 1yjj n GLN 87 N 0.34 0.18 -4.63 0.00 7.27 -1.26 -4.44 117.38 114.84 1yjj n GLN 87 Ca 0.10 -0.89 -0.33 0.00 0.07 0.00 0.00 57.00 55.95 1yjj n GLN 87 Cb 0.33 -0.57 -0.15 0.00 2.41 0.00 0.00 30.24 32.26 1yjj n GLN 87 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1yjj s ILE 88 N -0.18 2.77 -0.28 1.69 1.01 -1.25 -4.99 121.20 119.96 1yjj s ILE 88 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1yjj s ILE 88 Cb 0.01 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1yjj s ILE 88 CO 0.00 0.52 0.26 -0.63 0.00 0.00 0.00 174.94 175.09 1yjj s ILE 89 N 0.66 5.26 0.65 2.92 1.09 -1.26 -2.91 121.20 127.60 1yjj s ILE 89 Ca -0.08 0.26 -0.14 0.00 -1.10 0.00 0.00 60.65 59.60 1yjj s ILE 89 Cb -0.16 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.63 1yjj s ILE 89 CO 0.02 0.19 1.07 -0.32 -0.10 0.00 0.00 174.94 175.81 1yjj s MET 90 N 1.87 3.00 -0.01 2.79 1.75 -0.68 -4.79 119.30 123.22 1yjj s MET 90 Ca 0.10 1.20 -0.21 0.00 -1.25 0.00 0.00 55.69 55.53 1yjj s MET 90 Cb -0.16 -1.99 0.04 0.00 2.84 0.00 0.00 34.83 35.56 1yjj s MET 90 CO 0.11 -1.07 0.46 0.95 -0.65 0.00 0.00 175.02 174.82 1yjj s THR 91 N -2.58 0.04 0.22 10.11 -4.23 -1.26 -2.18 115.64 115.76 1yjj s THR 91 Ca 0.63 -0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1yjj s THR 91 Cb -0.17 -0.81 0.17 0.00 1.34 0.00 0.00 72.50 73.03 1yjj s THR 91 CO 0.43 -0.17 1.80 1.55 -0.54 0.00 0.00 174.62 177.70 1yjj h PRO 92 N 3.40 0.68 -0.13 3.99 0.13 -1.95 -0.69 132.00 137.42 1yjj h PRO 92 Ca -0.29 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1yjj h PRO 92 Cb 1.17 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1yjj h PRO 92 CO 0.40 0.45 0.07 1.05 -0.23 0.00 0.00 178.00 179.74 1yjj h GLU 93 N 0.70 0.18 -0.33 0.86 9.09 -2.03 0.14 114.58 123.19 1yjj h GLU 93 Ca 0.34 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1yjj h GLU 93 Cb 0.27 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1yjj h GLU 93 CO -0.22 0.13 0.00 1.28 0.05 0.00 0.00 179.01 180.25 1yjj n LEU 94 N -4.50 1.98 -4.67 3.06 4.77 -0.33 -4.93 117.00 112.38 1yjj n LEU 94 Ca -0.01 -0.95 -0.44 0.00 -0.03 0.00 0.00 56.01 54.58 1yjj n LEU 94 Cb 0.09 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1yjj n LEU 94 CO 0.35 0.48 0.91 -0.90 -1.33 0.00 0.00 177.39 176.89 1yjj n ASP 95 N 0.56 2.56 0.00 -1.43 5.75 0.50 -2.69 116.55 121.81 1yjj n ASP 95 Ca 0.14 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 56.09 1yjj n ASP 95 Cb 0.33 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 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 1.48 0.65 3.64 6.12 0.00 0.24 -4.73 105.19 112.59 1yjj n GLY 96 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.28 0.83 -3.66 -0.61 3.06 -1.08 -4.70 119.36 111.91 1yjj n ILE 97 Ca 0.00 -0.21 -0.39 0.00 -2.50 0.00 0.00 62.75 59.65 1yjj n ILE 97 Cb 0.00 -1.27 -0.12 0.00 0.54 0.00 0.00 39.64 38.79 1yjj n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1yjj s VAL 98 N -0.00 4.37 -0.21 9.51 1.01 -1.26 -0.91 120.40 132.91 1yjj s VAL 98 Ca 0.71 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1yjj s VAL 98 Cb -0.72 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1yjj s VAL 98 CO 0.49 -0.12 0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1yjj s VAL 99 N 1.53 5.04 -0.25 2.92 1.01 0.11 -0.66 120.40 130.11 1yjj s VAL 99 Ca 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1yjj s VAL 99 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1yjj s VAL 99 CO 0.05 0.42 0.09 -1.81 0.00 0.00 0.00 175.10 173.85 1yjj s ASP 100 N 0.64 5.38 -0.18 3.32 1.11 0.61 0.15 116.67 127.70 1yjj s ASP 100 Ca 0.06 -0.13 -0.06 0.00 0.18 0.00 0.00 52.55 52.59 1yjj s ASP 100 Cb -0.13 -1.97 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1yjj s ASP 100 CO 0.01 -0.01 0.04 -0.69 1.18 0.00 0.00 175.17 175.70 1yjj s VAL 101 N 1.46 4.49 0.19 -1.27 1.01 0.06 0.11 120.40 126.44 1yjj s VAL 101 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1yjj s VAL 101 Cb -0.15 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1yjj s VAL 101 CO 0.05 0.45 0.25 -0.81 0.00 0.00 0.00 175.10 175.04 1yjj n PRO 102 N 3.71 -0.10 0.07 2.72 -0.04 -1.26 -2.47 135.00 137.63 1yjj n PRO 102 Ca -0.17 -0.44 0.11 0.00 -0.04 0.00 0.00 63.50 62.97 1yjj n PRO 102 Cb 0.52 -0.24 0.01 0.00 -0.04 0.00 0.00 33.50 33.75 1yjj n PRO 102 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1yjj n ASP 103 N -3.13 0.68 -4.07 3.54 -0.08 -1.26 -4.53 116.55 107.71 1yjj n ASP 103 Ca 0.03 0.15 -0.32 0.00 -1.51 0.00 0.00 54.79 53.15 1yjj n ASP 103 Cb 0.12 0.65 -0.15 0.00 2.34 0.00 0.00 41.12 44.08 1yjj n ASP 103 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1yjj s ARG 104 N -3.32 2.26 0.00 -0.67 1.81 -1.26 -4.94 118.95 112.83 1yjj s ARG 104 Ca 0.00 -1.30 0.09 0.00 -1.72 0.00 0.00 55.73 52.80 1yjj s ARG 104 Cb 0.12 -2.85 -0.08 0.00 -0.45 0.00 0.00 34.95 31.68 1yjj s ARG 104 CO 0.80 -0.55 0.40 0.00 -0.68 0.00 0.00 175.30 175.27 1yjj n GLN 105 N 4.45 3.89 0.00 3.54 0.00 -1.26 -4.40 117.38 123.61 1yjj n GLN 105 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 57.00 56.77 1yjj n GLN 105 Cb 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 30.24 29.74 1yjj n GLN 105 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93