#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yji s LYS 2 N 0.00 3.87 -0.30 4.33 -0.14 -1.26 -2.30 119.74 123.94 1yji s LYS 2 Ca 0.00 1.08 -0.01 0.00 -1.36 0.00 0.00 55.97 55.68 1yji s LYS 2 Cb 0.00 -3.88 0.05 0.00 -1.68 0.00 0.00 37.83 32.32 1yji s LYS 2 CO 0.00 -1.18 -0.01 0.08 -0.76 0.00 0.00 175.35 173.48 1yji s VAL 3 N 4.42 2.94 -0.15 3.17 1.01 -1.11 -0.59 120.40 130.09 1yji s VAL 3 Ca 0.54 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1yji s VAL 3 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1yji s VAL 3 CO 0.24 -0.11 0.08 -0.69 0.00 0.00 0.00 175.10 174.63 1yji s VAL 4 N 1.24 5.01 -0.31 2.92 1.01 -0.45 -0.76 120.40 129.06 1yji s VAL 4 Ca -0.05 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1yji s VAL 4 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1yji s VAL 4 CO -0.01 0.53 0.13 -0.31 0.00 0.00 0.00 175.10 175.44 1yji s TYR 5 N -0.29 3.18 -0.34 5.22 1.51 -0.72 -0.18 117.35 125.72 1yji s TYR 5 Ca 0.09 -0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 55.20 1yji s TYR 5 Cb -0.12 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1yji s TYR 5 CO 0.01 -0.53 0.33 0.08 -1.11 0.00 0.00 175.55 174.33 1yji s VAL 6 N 1.55 5.20 0.00 0.71 1.01 0.42 -2.79 120.40 126.51 1yji s VAL 6 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1yji s VAL 6 Cb -0.17 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1yji s VAL 6 CO 0.05 -0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.53 1yji n SER 7 N 5.32 -0.01 -0.05 3.32 3.41 -0.58 -0.62 113.62 124.41 1yji n SER 7 Ca -0.10 -0.03 -0.20 0.00 -0.26 0.00 0.00 58.87 58.28 1yji n SER 7 Cb 0.49 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1yji n SER 7 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1yji h HIS 8 N -0.13 0.18 0.00 7.33 2.07 -1.88 -3.32 115.15 119.39 1yji h HIS 8 Ca 0.00 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 1yji h HIS 8 Cb 0.00 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1yji h HIS 8 CO 0.00 1.46 0.00 -0.40 -3.07 0.00 0.00 177.93 175.92 1yji n ASP 9 N -4.23 0.00 0.00 3.10 5.68 -1.26 -4.81 116.55 115.04 1yji n ASP 9 Ca -0.26 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 1yji n ASP 9 Cb 0.75 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1yji n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yji n GLY 10 N 0.06 0.52 3.72 6.12 0.00 -1.25 -5.05 105.19 109.31 1yji n GLY 10 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1yji n GLY 10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yji s THR 11 N -2.09 2.88 0.20 2.61 -1.32 -1.26 -4.71 115.64 111.95 1yji s THR 11 Ca 0.00 0.65 0.09 0.00 -1.21 0.00 0.00 61.69 61.22 1yji s THR 11 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 72.50 67.53 1yji s THR 11 CO 0.00 0.06 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.30 1yji s ARG 12 N 0.79 2.24 -0.16 7.08 0.52 -1.26 -1.53 118.95 126.63 1yji s ARG 12 Ca 0.66 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1yji s ARG 12 Cb -0.41 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 32.91 1yji s ARG 12 CO 0.33 0.42 0.16 1.03 0.02 0.00 0.00 175.30 177.26 1yji s ARG 13 N -3.10 0.10 -0.21 3.54 1.81 -1.12 -4.93 118.95 115.04 1yji s ARG 13 Ca 0.27 0.20 -0.12 0.00 -1.72 0.00 0.00 55.73 54.36 1yji s ARG 13 Cb -0.08 -1.18 -0.05 0.00 -0.45 0.00 0.00 34.95 33.19 1yji s ARG 13 CO 0.18 -0.57 0.22 -1.21 -0.68 0.00 0.00 175.30 173.23 1yji s GLU 14 N 2.25 4.15 0.00 3.54 8.01 -1.26 -1.75 118.70 133.64 1yji s GLU 14 Ca 0.04 -0.11 0.00 0.00 0.01 0.00 0.00 54.97 54.91 1yji s GLU 14 Cb -0.15 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.19 1yji s GLU 14 CO -0.09 0.14 0.00 1.28 0.01 0.00 0.00 175.26 176.60 1yji n LEU 15 N 3.98 0.00 -3.61 1.80 4.77 0.06 -4.91 117.00 119.10 1yji n LEU 15 Ca -0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 1yji n LEU 15 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1yji n LEU 15 CO 0.37 -0.03 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.46 1yji s ASP 16 N -0.14 3.70 -0.32 -1.43 2.15 -1.26 -2.76 116.67 116.61 1yji s ASP 16 Ca 0.00 -1.43 -0.11 0.00 0.43 0.00 0.00 52.55 51.44 1yji s ASP 16 Cb 0.00 -0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 42.08 1yji s ASP 16 CO 0.00 -0.43 0.19 -0.69 -0.17 0.00 0.00 175.17 174.07 1yji s VAL 17 N 1.90 4.87 1.15 1.11 1.01 -0.97 -4.76 120.40 124.71 1yji s VAL 17 Ca 0.09 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1yji s VAL 17 Cb -0.17 -3.50 0.27 0.00 0.00 0.00 0.00 36.38 32.98 1yji s VAL 17 CO -0.32 0.03 1.14 0.00 0.00 0.00 0.00 175.10 175.95 1yji s ALA 18 N 1.65 0.88 0.21 5.51 0.00 -1.26 -2.60 121.76 126.16 1yji s ALA 18 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1yji s ALA 18 Cb -0.17 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 1yji s ALA 18 CO 0.08 -3.36 1.46 0.16 0.00 0.00 0.00 175.76 174.10 1yji s ASP 19 N -4.01 6.67 0.00 0.00 -4.77 -1.25 -2.38 116.67 110.92 1yji s ASP 19 Ca 0.71 2.61 0.00 0.00 -3.30 0.00 0.00 52.55 52.57 1yji s ASP 19 Cb -0.09 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1yji s ASP 19 CO 0.56 -0.72 0.00 0.61 0.70 0.00 0.00 175.17 176.32 1yji n GLY 20 N 2.70 2.96 3.78 2.12 0.00 -1.11 -5.00 105.19 110.64 1yji n GLY 20 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1yji n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yji s VAL 21 N -2.23 4.53 0.12 1.61 1.01 -1.00 -4.81 120.40 119.62 1yji s VAL 21 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 1yji s VAL 21 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1yji s VAL 21 CO 0.00 0.49 0.44 -0.94 0.00 0.00 0.00 175.10 175.09 1yji s SER 22 N -0.87 6.65 0.45 3.32 1.04 -1.25 -1.34 113.70 121.70 1yji s SER 22 Ca 0.35 0.82 0.26 0.00 0.48 0.00 0.00 55.95 57.86 1yji s SER 22 Cb -0.22 -2.19 1.29 0.00 0.10 0.00 0.00 66.02 65.00 1yji s SER 22 CO 0.24 0.12 1.77 -0.07 0.98 0.00 0.00 173.24 176.28 1yji h LEU 23 N 3.43 0.28 -1.30 2.42 3.38 -1.81 1.38 115.31 123.08 1yji h LEU 23 Ca -0.48 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1yji h LEU 23 Cb 1.19 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1yji h LEU 23 CO 0.67 0.03 -0.34 -0.03 0.09 0.00 0.00 178.44 178.87 1yji h MET 24 N 0.23 0.00 0.31 1.13 4.05 -1.90 -1.71 114.93 117.05 1yji h MET 24 Ca 0.60 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 60.01 1yji h MET 24 Cb 1.85 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 1yji h MET 24 CO -0.21 0.34 -0.15 1.96 0.23 0.00 0.00 176.91 179.08 1yji h GLN 25 N 0.00 -0.41 0.00 0.39 1.08 0.15 -3.26 115.11 113.06 1yji h GLN 25 Ca -0.00 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1yji h GLN 25 Cb 0.64 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1yji h GLN 25 CO 0.04 -0.26 -0.01 0.00 -0.95 0.00 0.00 178.83 177.65 1yji h ALA 26 N -1.09 1.42 0.00 3.87 0.00 -1.51 -0.38 119.26 121.57 1yji h ALA 26 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1yji h ALA 26 Cb 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yji h ALA 26 CO 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.26 1yji h ALA 27 N 1.99 1.33 0.00 0.00 0.00 -1.35 -0.46 119.26 120.77 1yji h ALA 27 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1yji h ALA 27 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yji h ALA 27 CO 0.00 0.10 -0.42 0.28 0.00 0.00 0.00 179.25 179.21 1yji h VAL 28 N 0.00 0.58 0.00 0.00 2.07 -1.12 0.90 116.25 118.68 1yji h VAL 28 Ca -0.00 -1.84 -0.17 0.00 0.82 0.00 0.00 66.70 65.52 1yji h VAL 28 Cb 0.23 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1yji h VAL 28 CO 0.01 0.33 -0.85 -1.28 0.02 0.00 0.00 177.57 175.80 1yji h SER 29 N 0.00 0.00 -0.10 0.57 0.87 -1.11 -3.16 113.55 110.62 1yji h SER 29 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1yji h SER 29 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1yji h SER 29 CO 0.04 0.75 0.00 0.59 -0.53 0.00 0.00 176.83 177.69 1yji n ASN 30 N -3.25 2.81 -2.76 6.23 3.02 -0.87 -5.00 115.26 115.44 1yji n ASN 30 Ca -0.01 -1.86 -0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1yji n ASN 30 Cb 0.85 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 1yji n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yji n GLY 31 N 1.16 -1.07 0.44 7.41 0.00 -0.30 -4.99 105.19 107.83 1yji n GLY 31 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1yji n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yji n ILE 32 N -1.56 0.00 1.43 -0.61 5.41 0.30 -4.70 119.36 119.63 1yji n ILE 32 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1yji n ILE 32 Cb 0.49 -0.71 0.01 0.00 -0.71 0.00 0.00 39.64 38.72 1yji n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1yji n TYR 33 N -2.50 0.03 -0.02 1.39 4.01 -1.23 -4.61 117.16 114.22 1yji n TYR 33 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1yji n TYR 33 Cb 0.39 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1yji n ASP 34 N -0.21 0.00 0.00 7.72 5.68 -1.26 -3.84 116.55 124.64 1yji n ASP 34 Ca 0.00 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1yji n ASP 34 Cb 0.15 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1yji n ASP 34 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1yji n ILE 35 N 3.71 0.00 -3.90 2.12 2.08 -1.26 -5.16 119.36 116.95 1yji n ILE 35 Ca 0.00 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 1yji n ILE 35 Cb 0.00 -0.11 -0.06 0.00 -0.75 0.00 0.00 39.64 38.72 1yji n ILE 35 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1yji s VAL 36 N 0.00 0.07 -0.30 1.39 1.01 -1.25 -5.15 120.40 116.17 1yji s VAL 36 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.68 1yji s VAL 36 Cb 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 36.38 34.86 1yji s VAL 36 CO 0.00 -0.33 0.80 -0.83 0.00 0.00 0.00 175.10 174.74 1yji s GLY 37 N -2.93 -0.72 0.00 4.51 0.00 -1.26 -4.77 107.32 102.14 1yji s GLY 37 Ca 0.14 2.24 0.00 0.00 0.00 0.00 0.00 44.72 47.09 1yji s GLY 37 CO -0.03 3.58 0.00 1.22 0.00 0.00 0.00 173.10 177.88 1yji n ASP 38 N 5.45 0.00 -0.09 1.64 8.00 -1.26 -4.43 116.55 125.85 1yji n ASP 38 Ca -0.03 0.00 0.26 0.00 0.71 0.00 0.00 54.79 55.72 1yji n ASP 38 Cb 0.52 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.34 1yji n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yji n GLY 40 N -1.65 -1.12 0.89 0.00 0.00 -1.26 -3.75 105.19 98.29 1yji n GLY 40 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1yji n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yji n GLY 41 N -1.75 0.70 0.21 -0.02 0.00 -1.26 -5.01 105.19 98.05 1yji n GLY 41 Ca -0.16 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1yji n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yji n SER 42 N -0.89 0.00 -3.72 1.61 7.64 -1.25 -5.03 113.62 111.99 1yji n SER 42 Ca 0.00 -1.08 -0.22 0.00 1.01 0.00 0.00 58.87 58.58 1yji n SER 42 Cb 0.35 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yji n ALA 43 N 0.00 -2.78 -1.89 -0.43 0.00 -1.26 -4.86 120.51 109.29 1yji n ALA 43 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1yji n ALA 43 Cb 0.52 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1yji n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yji n SER 44 N -2.54 -0.19 0.00 0.00 2.88 -1.26 -5.04 113.62 107.47 1yji n SER 44 Ca -0.29 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1yji n SER 44 Cb 0.68 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1yji n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yji n ALA 46 N -3.00 2.14 -0.05 0.00 0.00 -1.26 -4.88 120.51 113.46 1yji n ALA 46 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1yji n ALA 46 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1yji n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yji h THR 47 N 6.10 1.29 -1.03 0.00 1.35 -1.77 -3.21 112.91 115.63 1yji h THR 47 Ca -0.05 -1.76 -0.49 0.00 -0.55 0.00 0.00 66.41 63.55 1yji h THR 47 Cb 1.28 1.68 -0.18 0.00 -1.73 0.00 0.00 68.15 69.20 1yji h THR 47 CO -0.01 0.57 0.45 0.00 -0.25 0.00 0.00 175.52 176.28 1yji s HIS 49 N -1.94 2.80 0.16 0.00 5.04 -1.21 -1.35 115.29 118.77 1yji s HIS 49 Ca 0.54 0.88 -0.07 0.00 -1.54 0.00 0.00 55.06 54.87 1yji s HIS 49 Cb 0.37 -4.07 -0.01 0.00 0.04 0.00 0.00 32.58 28.90 1yji s HIS 49 CO -0.19 -1.39 0.24 0.14 -2.34 0.00 0.00 174.74 171.20 1yji s VAL 50 N 4.38 0.07 -0.29 0.89 -7.23 -1.13 -4.57 120.40 112.52 1yji s VAL 50 Ca 0.52 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1yji s VAL 50 Cb -0.12 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1yji s VAL 50 CO 0.25 -0.34 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.39 1yji s TYR 51 N -3.98 3.21 0.03 2.82 2.02 0.27 -2.71 117.35 119.01 1yji s TYR 51 Ca 0.18 -1.70 -0.23 0.00 -0.37 0.00 0.00 57.07 54.95 1yji s TYR 51 Cb 0.04 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.43 1yji s TYR 51 CO 0.00 -0.77 0.71 0.08 -1.57 0.00 0.00 175.55 174.00 1yji s VAL 52 N 1.30 4.77 0.04 0.71 1.01 -1.26 0.24 120.40 127.20 1yji s VAL 52 Ca -0.03 1.50 -0.37 0.00 0.00 0.00 0.00 61.98 63.08 1yji s VAL 52 Cb -0.19 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 1yji s VAL 52 CO -0.01 0.39 1.47 -3.20 0.00 0.00 0.00 175.10 173.74 1yji n ASN 53 N 2.71 2.08 -0.11 3.32 5.15 0.06 -4.68 115.26 123.79 1yji n ASN 53 Ca -0.04 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.04 1yji n ASN 53 Cb 0.50 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 1yji n ASN 53 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1yji n GLU 54 N 3.28 0.00 -0.01 1.20 0.28 -1.26 -1.32 120.64 122.81 1yji n GLU 54 Ca 0.20 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.30 1yji n GLU 54 Cb 0.20 -0.98 -0.16 0.00 1.43 0.00 0.00 31.44 31.93 1yji n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yji n ALA 55 N -0.23 2.84 0.39 -1.84 0.00 -1.26 -4.42 120.51 115.98 1yji n ALA 55 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 53.44 52.99 1yji n ALA 55 Cb 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1yji n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yji n PHE 56 N -2.19 0.00 -0.06 0.00 3.01 -0.44 -4.54 117.46 113.24 1yji n PHE 56 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.31 1yji n PHE 56 Cb 0.53 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.98 1yji n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1yji h THR 57 N 0.00 1.29 -0.21 4.37 1.35 -1.76 0.25 112.91 118.20 1yji h THR 57 Ca 0.00 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1yji h THR 57 Cb 0.27 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1yji h THR 57 CO 0.00 0.54 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 1yji n ASP 58 N -4.01 1.16 0.00 5.36 5.75 -1.26 -3.82 116.55 119.73 1yji n ASP 58 Ca -0.03 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1yji n ASP 58 Cb 0.58 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1yji n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yji n LYS 59 N 0.13 0.78 -2.15 0.11 5.02 -1.05 -5.03 118.16 115.97 1yji n LYS 59 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1yji n LYS 59 Cb 0.19 -0.97 -0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1yji n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yji s VAL 60 N -1.94 4.73 -0.70 -0.18 0.11 0.05 -4.88 120.40 117.59 1yji s VAL 60 Ca 0.00 0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 59.51 1yji s VAL 60 Cb 0.00 -3.84 -0.15 0.00 -1.53 0.00 0.00 36.38 30.86 1yji s VAL 60 CO 0.00 -0.99 2.50 -2.65 -3.33 0.00 0.00 175.10 170.63 1yji n PRO 61 N -2.42 0.53 -2.30 1.54 -0.01 -1.26 -4.84 135.00 126.24 1yji n PRO 61 Ca 0.05 0.04 -0.40 0.00 -0.01 0.00 0.00 63.50 63.18 1yji n PRO 61 Cb 0.54 -2.33 -0.03 0.00 -0.01 0.00 0.00 33.50 31.67 1yji n PRO 61 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1yji s ALA 62 N 9.77 2.54 0.40 3.55 0.00 -1.26 -4.91 121.76 131.85 1yji s ALA 62 Ca 1.18 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 1yji s ALA 62 Cb -0.83 -4.23 -0.12 0.00 0.00 0.00 0.00 23.12 17.94 1yji s ALA 62 CO 0.42 -3.42 0.82 0.00 0.00 0.00 0.00 175.76 173.57 1yji n ALA 63 N 10.75 -0.60 -0.68 0.00 0.00 -1.26 -4.93 120.51 123.78 1yji n ALA 63 Ca 0.12 0.22 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 1yji n ALA 63 Cb 0.50 -1.94 0.11 0.00 0.00 0.00 0.00 19.45 18.11 1yji n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1yji n ASN 64 N 0.89 -2.48 0.00 0.00 0.23 -1.26 -4.75 115.26 107.89 1yji n ASN 64 Ca 0.11 -0.31 0.07 0.00 -0.53 0.00 0.00 54.58 53.92 1yji n ASN 64 Cb 0.38 -0.44 0.43 0.00 -2.08 0.00 0.00 39.78 38.07 1yji n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1yji n GLU 65 N -2.22 0.41 -0.27 -3.83 0.28 -1.26 -3.13 120.64 110.61 1yji n GLU 65 Ca 0.05 0.04 -0.06 0.00 -0.16 0.00 0.00 57.16 57.02 1yji n GLU 65 Cb 0.21 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.65 1yji n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1yji h ARG 66 N 0.00 1.17 0.13 3.44 3.08 -2.01 -3.00 114.38 117.20 1yji h ARG 66 Ca 0.00 -0.24 -0.29 0.00 0.07 0.00 0.00 59.98 59.52 1yji h ARG 66 Cb 0.03 -0.17 0.03 0.00 0.08 0.00 0.00 29.97 29.94 1yji h ARG 66 CO 0.00 0.98 -1.21 0.93 -1.07 0.00 0.00 179.97 179.61 1yji h GLU 67 N 1.13 0.58 -0.71 0.04 3.07 -1.85 -3.17 114.58 113.66 1yji h GLU 67 Ca 0.25 -0.80 0.21 0.00 -0.50 0.00 0.00 59.36 58.51 1yji h GLU 67 Cb 0.29 0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1yji h GLU 67 CO -0.01 1.36 0.82 0.82 -1.40 0.00 0.00 179.01 180.60 1yji h ILE 68 N 0.18 0.18 0.04 3.13 5.03 -1.66 0.34 117.51 124.74 1yji h ILE 68 Ca -0.19 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1yji h ILE 68 Cb 1.90 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1yji h ILE 68 CO 0.23 0.00 -0.02 1.23 -0.68 0.00 0.00 178.15 178.91 1yji h GLY 69 N 0.00 -0.05 -0.07 5.37 0.00 -1.51 -3.11 103.07 103.70 1yji h GLY 69 Ca 0.34 0.02 0.23 0.00 0.00 0.00 0.00 47.33 47.92 1yji h GLY 69 CO -0.00 -0.02 0.61 -0.33 0.00 0.00 0.00 176.54 176.80 1yji h MET 70 N -0.23 0.58 -0.08 4.80 2.86 -1.38 2.31 114.93 123.78 1yji h MET 70 Ca -0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1yji h MET 70 Cb 0.04 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1yji h MET 70 CO 0.01 0.38 0.26 -0.07 1.06 0.00 0.00 176.91 178.55 1yji h LEU 71 N 0.60 0.00 -1.75 1.22 3.38 -0.47 1.34 115.31 119.64 1yji h LEU 71 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1yji h LEU 71 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1yji h LEU 71 CO -0.42 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.32 1yji n GLU 72 N -3.19 2.26 -0.97 1.13 2.13 0.78 -3.94 120.64 118.85 1yji n GLU 72 Ca -0.00 -1.56 0.03 0.00 0.66 0.00 0.00 57.16 56.29 1yji n GLU 72 Cb 0.34 -1.47 0.15 0.00 0.27 0.00 0.00 31.44 30.73 1yji n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yji s VAL 74 N -2.65 2.42 -1.48 0.00 1.01 -1.25 -4.90 120.40 113.55 1yji s VAL 74 Ca 0.38 -0.93 0.12 0.00 0.00 0.00 0.00 61.98 61.55 1yji s VAL 74 Cb 0.38 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1yji s VAL 74 CO -0.08 0.00 0.86 0.41 0.00 0.00 0.00 175.10 176.29 1yji n THR 75 N -2.21 0.00 -3.75 3.92 -1.04 -1.26 -5.01 114.28 104.93 1yji n THR 75 Ca 0.13 -0.48 -0.21 0.00 -2.04 0.00 0.00 64.05 61.44 1yji n THR 75 Cb 0.61 1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 70.32 1yji n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yji s ALA 76 N -1.09 3.89 -0.34 2.41 0.00 -1.26 -5.02 121.76 120.34 1yji s ALA 76 Ca 0.14 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 1yji s ALA 76 Cb 0.10 -1.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.13 1yji s ALA 76 CO 0.17 -0.10 2.29 -1.91 0.00 0.00 0.00 175.76 176.22 1yji n GLU 77 N -1.42 1.50 -2.29 0.00 2.13 -1.26 -4.93 120.64 114.38 1yji n GLU 77 Ca 0.00 0.32 -0.36 0.00 0.66 0.00 0.00 57.16 57.78 1yji n GLU 77 Cb 0.61 -3.14 -0.01 0.00 0.27 0.00 0.00 31.44 29.17 1yji n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1yji s LEU 78 N 9.38 3.93 0.20 4.31 2.96 -1.26 -5.03 118.68 133.18 1yji s LEU 78 Ca 1.02 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 57.25 1yji s LEU 78 Cb -0.39 -4.36 -0.04 0.00 0.50 0.00 0.00 46.19 41.90 1yji s LEU 78 CO 0.35 -0.98 -0.04 -0.54 -1.32 0.00 0.00 176.35 173.82 1yji s LYS 79 N -2.89 2.24 0.64 1.98 -0.14 -1.26 -4.98 119.74 115.33 1yji s LYS 79 Ca 0.66 -1.25 0.31 0.00 -1.36 0.00 0.00 55.97 54.33 1yji s LYS 79 Cb -0.26 -2.23 1.67 0.00 -1.68 0.00 0.00 37.83 35.33 1yji s LYS 79 CO 0.31 0.42 1.98 -1.00 -0.76 0.00 0.00 175.35 176.30 1yji h PRO 80 N 2.55 0.00 -0.50 -1.68 0.13 -2.02 -1.07 132.00 129.42 1yji h PRO 80 Ca -0.46 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.31 1yji h PRO 80 Cb 1.22 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.99 1yji h PRO 80 CO 0.57 0.00 -0.87 0.27 -0.23 0.00 0.00 178.00 177.74 1yji n ASN 81 N -3.22 3.25 -3.79 1.44 0.23 -1.26 -5.09 115.26 106.82 1yji n ASN 81 Ca 0.01 -3.17 -0.30 0.00 -0.53 0.00 0.00 54.58 50.59 1yji n ASN 81 Cb 0.41 -0.40 0.28 0.00 -2.08 0.00 0.00 39.78 37.99 1yji n ASN 81 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1yji s SER 82 N -3.48 -0.58 0.01 0.53 0.01 -0.41 -4.31 113.70 105.47 1yji s SER 82 Ca 0.41 1.11 -0.28 0.00 1.31 0.00 0.00 55.95 58.50 1yji s SER 82 Cb 0.38 -1.65 0.10 0.00 0.21 0.00 0.00 66.02 65.06 1yji s SER 82 CO -0.01 -5.10 0.85 -0.13 0.41 0.00 0.00 173.24 169.25 1yji s ARG 83 N -4.80 0.88 -0.60 12.44 1.81 -1.10 -4.88 118.95 122.69 1yji s ARG 83 Ca 0.68 -0.32 -0.10 0.00 -1.72 0.00 0.00 55.73 54.28 1yji s ARG 83 Cb -0.18 0.40 0.16 0.00 -0.45 0.00 0.00 34.95 34.88 1yji s ARG 83 CO 0.61 -0.38 0.49 -0.51 -0.68 0.00 0.00 175.30 174.82 1yji s LEU 84 N -2.50 5.91 0.33 2.53 1.43 -1.26 -2.83 118.68 122.29 1yji s LEU 84 Ca 0.04 -2.31 0.08 0.00 -1.03 0.00 0.00 54.13 50.91 1yji s LEU 84 Cb -0.01 -2.04 0.95 0.00 0.03 0.00 0.00 46.19 45.12 1yji s LEU 84 CO -0.09 -0.61 1.55 0.00 0.23 0.00 0.00 176.35 177.43 1yji n GLN 87 N -0.70 1.83 -4.21 0.00 6.02 0.14 -4.19 117.38 116.27 1yji n GLN 87 Ca 0.00 -3.57 -0.15 0.00 -0.01 0.00 0.00 57.00 53.28 1yji n GLN 87 Cb 0.00 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 29.57 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yji s ILE 88 N -3.77 1.09 -0.08 5.09 1.01 -1.08 -4.88 121.20 118.58 1yji s ILE 88 Ca 0.31 -1.75 0.01 0.00 0.00 0.00 0.00 60.65 59.22 1yji s ILE 88 Cb 0.40 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 41.37 1yji s ILE 88 CO -0.01 -0.56 -0.10 -0.63 0.00 0.00 0.00 174.94 173.64 1yji s ILE 89 N -2.56 1.02 0.47 2.92 -1.09 -1.26 -3.82 121.20 116.88 1yji s ILE 89 Ca 0.09 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1yji s ILE 89 Cb -0.02 -0.98 -0.01 0.00 -1.58 0.00 0.00 42.46 39.87 1yji s ILE 89 CO 0.01 0.34 0.72 -0.32 -1.23 0.00 0.00 174.94 174.47 1yji s MET 90 N 1.06 3.14 -0.06 2.79 1.75 -0.45 -4.74 119.30 122.78 1yji s MET 90 Ca -0.07 -0.28 -0.17 0.00 -1.25 0.00 0.00 55.69 53.91 1yji s MET 90 Cb -0.14 -2.48 0.04 0.00 2.84 0.00 0.00 34.83 35.08 1yji s MET 90 CO -0.01 -0.32 0.40 0.95 -0.65 0.00 0.00 175.02 175.40 1yji s THR 91 N -2.65 0.03 0.53 10.11 -4.23 -1.26 -2.74 115.64 115.43 1yji s THR 91 Ca 0.49 -0.27 0.22 0.00 -1.18 0.00 0.00 61.69 60.95 1yji s THR 91 Cb -0.10 -0.67 0.36 0.00 1.34 0.00 0.00 72.50 73.42 1yji s THR 91 CO 0.40 -0.15 2.04 1.55 -0.54 0.00 0.00 174.62 177.93 1yji h PRO 92 N 4.16 0.01 -0.05 3.99 0.13 -1.89 -0.82 132.00 137.52 1yji h PRO 92 Ca -0.28 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1yji h PRO 92 Cb 1.17 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1yji h PRO 92 CO 0.35 0.01 -0.43 1.05 -0.23 0.00 0.00 178.00 178.75 1yji h GLU 93 N 0.01 0.12 -1.06 0.86 4.11 -1.99 -2.83 114.58 113.80 1yji h GLU 93 Ca 0.18 -0.06 -0.44 0.00 0.07 0.00 0.00 59.36 59.11 1yji h GLU 93 Cb 0.69 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.71 1yji h GLU 93 CO -0.00 0.53 0.56 1.28 0.07 0.00 0.00 179.01 181.45 1yji n LEU 94 N -4.02 6.27 -4.77 3.06 4.77 -0.32 -4.98 117.00 117.02 1yji n LEU 94 Ca -0.02 -3.34 -0.41 0.00 -0.03 0.00 0.00 56.01 52.21 1yji n LEU 94 Cb 0.47 -0.83 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1yji n LEU 94 CO 0.41 1.05 1.12 1.51 -1.33 0.00 0.00 177.39 180.14 1yji s ASP 95 N -0.84 6.48 0.00 -1.43 1.47 -1.07 -3.56 116.67 117.71 1yji s ASP 95 Ca 0.46 2.91 0.00 0.00 1.18 0.00 0.00 52.55 57.10 1yji s ASP 95 Cb 0.38 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 1yji s ASP 95 CO 0.06 -0.79 0.00 0.61 0.68 0.00 0.00 175.17 175.73 1yji n GLY 96 N 1.02 1.23 3.72 2.12 0.00 0.24 -4.72 105.19 108.80 1yji n GLY 96 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1yji n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yji s ILE 97 N -2.00 2.73 -0.26 -0.61 -1.16 -0.73 -4.85 121.20 114.32 1yji s ILE 97 Ca 0.00 0.52 -0.07 0.00 -0.51 0.00 0.00 60.65 60.59 1yji s ILE 97 Cb 0.00 -3.33 -0.02 0.00 0.61 0.00 0.00 42.46 39.72 1yji s ILE 97 CO 0.00 0.04 0.06 -0.69 -2.81 0.00 0.00 174.94 171.54 1yji s VAL 98 N 1.17 4.17 -0.16 4.00 1.01 -1.26 -1.34 120.40 127.99 1yji s VAL 98 Ca 0.69 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1yji s VAL 98 Cb -0.43 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1yji s VAL 98 CO 0.31 0.29 0.10 -0.69 0.00 0.00 0.00 175.10 175.11 1yji s VAL 99 N 1.58 5.13 -0.30 2.92 1.01 0.75 -0.77 120.40 130.73 1yji s VAL 99 Ca 0.06 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1yji s VAL 99 Cb -0.15 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1yji s VAL 99 CO 0.03 0.51 0.13 -1.81 0.00 0.00 0.00 175.10 173.95 1yji s ASP 100 N -0.08 5.40 -0.24 3.32 1.11 0.65 0.16 116.67 126.99 1yji s ASP 100 Ca 0.08 -0.57 -0.08 0.00 0.18 0.00 0.00 52.55 52.16 1yji s ASP 100 Cb -0.12 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.88 1yji s ASP 100 CO 0.00 -0.19 0.10 -0.69 1.18 0.00 0.00 175.17 175.58 1yji s VAL 101 N 1.58 4.73 0.92 -1.27 1.01 0.21 0.97 120.40 128.54 1yji s VAL 101 Ca 0.04 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1yji s VAL 101 Cb -0.17 -3.20 0.18 0.00 0.00 0.00 0.00 36.38 33.19 1yji s VAL 101 CO 0.05 0.35 1.26 -2.16 0.00 0.00 0.00 175.10 174.60 1yji s PRO 102 N 1.29 0.85 0.12 2.72 0.04 -1.26 -3.60 135.00 135.15 1yji s PRO 102 Ca 0.06 -0.53 0.25 0.00 0.04 0.00 0.00 61.00 60.82 1yji s PRO 102 Cb -0.15 -1.94 0.56 0.00 0.04 0.00 0.00 34.50 33.02 1yji s PRO 102 CO 0.05 -2.22 1.50 -3.47 0.04 0.00 0.00 177.00 172.89 1yji n ASP 103 N -3.59 0.64 -3.92 6.66 2.03 -1.26 -4.47 116.55 112.64 1yji n ASP 103 Ca 0.15 0.22 -0.29 0.00 0.52 0.00 0.00 54.79 55.39 1yji n ASP 103 Cb 0.60 -0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.74 1yji n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yji s ARG 104 N -3.11 2.08 0.07 -0.67 1.70 -1.26 -4.90 118.95 112.86 1yji s ARG 104 Ca 0.09 -2.81 0.11 0.00 -0.47 0.00 0.00 55.73 52.65 1yji s ARG 104 Cb 0.14 -3.28 -0.17 0.00 -0.57 0.00 0.00 34.95 31.07 1yji s ARG 104 CO 0.67 -1.17 1.02 -0.56 -1.08 0.00 0.00 175.30 174.18 1yji h GLN 105 N 6.16 0.00 0.00 3.89 3.07 -1.87 -3.38 115.11 122.98 1yji h GLN 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1yji h GLN 105 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 1yji h GLN 105 CO 0.69 0.65 0.00 1.87 0.09 0.00 0.00 178.83 182.13