#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 3.69 -0.35 4.33 -0.14 -1.26 -1.47 119.74 124.54 1yji s LYS 2 Ca 0.00 1.03 -0.06 0.00 -1.36 0.00 0.00 55.97 55.57 1yji s LYS 2 Cb 0.00 -3.97 0.05 0.00 -1.68 0.00 0.00 37.83 32.22 1yji s LYS 2 CO 0.00 -1.41 0.12 0.08 -0.76 0.00 0.00 175.35 173.38 1yji s VAL 3 N 5.05 3.80 -0.65 3.17 1.01 -1.01 -0.33 120.40 131.44 1yji s VAL 3 Ca 0.59 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1yji s VAL 3 Cb -0.14 -3.18 0.16 0.00 0.00 0.00 0.00 36.38 33.21 1yji s VAL 3 CO 0.30 -0.22 0.61 -0.69 0.00 0.00 0.00 175.10 175.09 1yji s VAL 4 N 1.39 5.32 -0.31 2.92 1.01 -0.19 -0.53 120.40 130.01 1yji s VAL 4 Ca -0.01 -1.80 -0.29 0.00 0.00 0.00 0.00 61.98 59.88 1yji s VAL 4 Cb -0.20 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 1yji s VAL 4 CO 0.02 -0.95 1.63 -0.31 0.00 0.00 0.00 175.10 175.49 1yji s TYR 5 N 1.19 2.08 -0.31 5.22 2.02 -0.11 -1.29 117.35 126.14 1yji s TYR 5 Ca 0.09 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.27 1yji s TYR 5 Cb -0.23 -4.12 -0.03 0.00 -0.40 0.00 0.00 41.96 37.19 1yji s TYR 5 CO -0.01 -2.66 0.28 0.08 -1.57 0.00 0.00 175.55 171.67 1yji s VAL 6 N 5.88 5.24 0.00 0.71 1.01 0.42 -2.20 120.40 131.46 1yji s VAL 6 Ca 0.72 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1yji s VAL 6 Cb -0.21 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1yji s VAL 6 CO 0.32 0.06 0.00 -1.54 0.00 0.00 0.00 175.10 173.94 1yji n SER 7 N 5.21 0.00 -0.10 3.32 3.41 0.08 -0.84 113.62 124.70 1yji n SER 7 Ca -0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.27 1yji n SER 7 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 1yji n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n HIS 8 N -0.15 0.98 0.64 7.33 1.44 -1.22 -3.95 115.22 120.28 1yji n HIS 8 Ca 0.00 0.42 0.04 0.00 -2.01 0.00 0.00 57.72 56.17 1yji n HIS 8 Cb 0.00 -1.10 0.24 0.00 0.12 0.00 0.00 29.99 29.25 1yji n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1yji n ASP 9 N -4.39 0.00 0.00 4.39 5.75 -1.26 -4.74 116.55 116.30 1yji n ASP 9 Ca -0.33 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1yji n ASP 9 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1yji n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yji n GLY 10 N -0.32 0.60 3.71 6.12 0.00 -1.25 -5.03 105.19 109.00 1yji n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1yji n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yji s THR 11 N -2.39 2.87 0.27 2.61 2.01 -1.26 -4.73 115.64 115.01 1yji s THR 11 Ca 0.00 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.60 1yji s THR 11 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1yji s THR 11 CO 0.00 0.02 0.15 -0.13 -0.69 0.00 0.00 174.62 173.97 1yji s ARG 12 N 1.76 2.71 -0.21 4.92 0.52 -1.26 -0.74 118.95 126.64 1yji s ARG 12 Ca 0.71 -1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 54.67 1yji s ARG 12 Cb -0.41 -2.43 0.11 0.00 0.52 0.00 0.00 34.95 32.74 1yji s ARG 12 CO 0.31 0.35 0.38 0.50 0.02 0.00 0.00 175.30 176.86 1yji s ARG 13 N -3.81 0.31 -0.21 3.54 3.52 -0.93 -4.96 118.95 116.41 1yji s ARG 13 Ca 0.33 0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 56.58 1yji s ARG 13 Cb -0.07 -0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.15 1yji s ARG 13 CO 0.24 -0.44 0.17 -1.21 -0.81 0.00 0.00 175.30 173.25 1yji s GLU 14 N 2.55 4.17 0.21 5.12 0.41 -1.26 -0.94 118.70 128.97 1yji s GLU 14 Ca 0.05 -0.17 0.01 0.00 -0.41 0.00 0.00 54.97 54.46 1yji s GLU 14 Cb -0.14 -3.46 0.01 0.00 -1.78 0.00 0.00 34.13 28.76 1yji s GLU 14 CO -0.14 0.21 0.08 -0.11 -0.49 0.00 0.00 175.26 174.81 1yji n LEU 15 N 3.78 0.00 -3.66 1.80 -0.00 0.31 -4.89 117.00 114.34 1yji n LEU 15 Ca -0.15 -1.21 -0.28 0.00 -0.00 0.00 0.00 56.01 54.37 1yji n LEU 15 Cb 0.52 0.07 -0.16 0.00 -0.00 0.00 0.00 43.42 43.85 1yji n LEU 15 CO 0.37 -0.28 -0.34 -0.62 -0.00 0.00 0.00 177.39 176.52 1yji s ASP 16 N -2.20 3.31 -0.19 1.96 2.15 -1.25 -2.41 116.67 118.04 1yji s ASP 16 Ca 0.06 -1.14 -0.03 0.00 0.43 0.00 0.00 52.55 51.87 1yji s ASP 16 Cb -0.00 -0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 42.07 1yji s ASP 16 CO 0.04 -0.38 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.89 1yji s VAL 17 N 1.91 3.22 1.07 1.11 1.01 -0.54 -4.71 120.40 123.47 1yji s VAL 17 Ca 0.05 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1yji s VAL 17 Cb -0.17 -2.43 0.25 0.00 0.00 0.00 0.00 36.38 34.03 1yji s VAL 17 CO -0.21 0.46 1.28 0.00 0.00 0.00 0.00 175.10 176.63 1yji s ALA 18 N 1.13 1.64 0.29 5.51 0.00 -1.26 -0.89 121.76 128.19 1yji s ALA 18 Ca 0.01 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 1yji s ALA 18 Cb -0.14 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 1yji s ALA 18 CO -0.02 -2.97 1.26 0.16 0.00 0.00 0.00 175.76 174.19 1yji s ASP 19 N -4.66 6.92 0.00 0.00 -4.77 -1.25 -2.81 116.67 110.10 1yji s ASP 19 Ca 0.75 2.53 0.00 0.00 -3.30 0.00 0.00 52.55 52.53 1yji s ASP 19 Cb -0.04 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1yji s ASP 19 CO 0.54 -0.43 0.00 0.61 0.70 0.00 0.00 175.17 176.59 1yji n GLY 20 N 1.23 2.85 3.76 2.12 0.00 -1.18 -5.00 105.19 108.96 1yji n GLY 20 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.91 4.27 0.18 1.61 1.01 -1.12 -4.84 120.40 119.60 1yji s VAL 21 Ca 0.00 1.91 -0.08 0.00 0.00 0.00 0.00 61.98 63.81 1yji s VAL 21 Cb 0.00 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1yji s VAL 21 CO 0.00 0.48 0.48 -0.94 0.00 0.00 0.00 175.10 175.12 1yji s SER 22 N -0.98 6.60 0.40 3.32 1.04 -1.26 -1.35 113.70 121.46 1yji s SER 22 Ca 0.39 0.81 0.17 0.00 0.48 0.00 0.00 55.95 57.81 1yji s SER 22 Cb -0.24 -2.18 1.08 0.00 0.10 0.00 0.00 66.02 64.77 1yji s SER 22 CO 0.29 0.00 1.80 -0.07 0.98 0.00 0.00 173.24 176.24 1yji h LEU 23 N 2.82 0.46 -1.52 2.42 3.38 -1.71 0.93 115.31 122.08 1yji h LEU 23 Ca -0.47 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1yji h LEU 23 Cb 1.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1yji h LEU 23 CO 0.70 0.12 -0.18 -0.03 0.09 0.00 0.00 178.44 179.14 1yji h MET 24 N 0.42 0.00 0.11 1.13 4.05 -1.87 -2.36 114.93 116.41 1yji h MET 24 Ca 0.56 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.97 1yji h MET 24 Cb 1.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 1yji h MET 24 CO -0.26 0.18 -0.05 1.96 0.23 0.00 0.00 176.91 178.96 1yji h GLN 25 N 0.00 -0.14 -0.60 0.39 4.20 0.54 -3.29 115.11 116.21 1yji h GLN 25 Ca -0.00 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.89 1yji h GLN 25 Cb 0.54 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1yji h GLN 25 CO 0.02 -0.09 0.49 0.00 -0.67 0.00 0.00 178.83 178.58 1yji h ALA 26 N -1.36 2.48 -0.03 3.87 0.00 -1.53 0.49 119.26 123.18 1yji h ALA 26 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yji h ALA 26 Cb 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yji h ALA 26 CO 0.02 -0.80 0.15 0.00 0.00 0.00 0.00 179.25 178.63 1yji h ALA 27 N 1.60 1.25 0.00 0.00 0.00 -1.49 0.12 119.26 120.73 1yji h ALA 27 Ca 0.29 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1yji h ALA 27 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1yji h ALA 27 CO -0.00 -0.16 -1.14 0.28 0.00 0.00 0.00 179.25 178.22 1yji h VAL 28 N 0.00 0.38 -0.00 0.00 2.07 -0.13 1.60 116.25 120.16 1yji h VAL 28 Ca 0.01 -1.70 -0.17 0.00 0.82 0.00 0.00 66.70 65.66 1yji h VAL 28 Cb 0.31 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1yji h VAL 28 CO -0.00 0.22 -0.79 -1.28 0.02 0.00 0.00 177.57 175.74 1yji h SER 29 N 0.00 0.10 -0.03 0.57 0.87 -0.80 -3.07 113.55 111.20 1yji h SER 29 Ca -0.09 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1yji h SER 29 Cb 1.38 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1yji h SER 29 CO 0.03 0.85 0.00 0.59 -0.53 0.00 0.00 176.83 177.77 1yji n ASN 30 N -3.66 2.56 -2.87 6.23 5.03 -1.07 -4.99 115.26 116.50 1yji n ASN 30 Ca -0.02 -1.78 -0.12 0.00 0.87 0.00 0.00 54.58 53.54 1yji n ASN 30 Cb 0.75 -0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.57 1yji n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yji n GLY 31 N 1.05 -0.66 3.67 7.41 0.00 -0.87 -4.97 105.19 110.81 1yji n GLY 31 Ca 0.11 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1yji n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yji s ILE 32 N -3.30 5.11 0.00 -0.61 1.01 0.54 -4.88 121.20 119.07 1yji s ILE 32 Ca 0.32 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1yji s ILE 32 Cb -0.04 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1yji s ILE 32 CO 0.58 0.19 0.01 -1.22 0.00 0.00 0.00 174.94 174.49 1yji n TYR 33 N 4.69 0.00 1.04 3.97 4.02 -1.26 -4.05 117.16 125.57 1yji n TYR 33 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.96 1yji n TYR 33 Cb 0.50 -0.15 0.13 0.00 -0.02 0.00 0.00 39.34 39.81 1yji n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1yji n ASP 34 N 1.50 0.90 -3.44 7.72 5.75 -1.26 -4.97 116.55 122.75 1yji n ASP 34 Ca 0.00 -0.72 -0.09 0.00 -0.01 0.00 0.00 54.79 53.97 1yji n ASP 34 Cb 0.00 0.48 0.08 0.00 -1.03 0.00 0.00 41.12 40.66 1yji n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yji n ILE 35 N -1.20 0.00 -2.66 2.12 3.06 -1.26 -4.61 119.36 114.81 1yji n ILE 35 Ca 0.07 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.31 1yji n ILE 35 Cb 0.35 -0.28 -0.01 0.00 0.54 0.00 0.00 39.64 40.24 1yji n ILE 35 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1yji n VAL 36 N -3.68-11.96 -3.78 9.51 0.31 -1.26 -5.06 118.33 102.42 1yji n VAL 36 Ca 0.04 1.95 -0.12 0.00 -0.01 0.00 0.00 64.34 66.20 1yji n VAL 36 Cb 0.17 -6.81 -0.08 0.00 -0.91 0.00 0.00 33.84 26.20 1yji n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yji s GLY 37 N -1.45 -0.11 -0.02 2.92 0.00 -1.26 -4.98 107.32 102.42 1yji s GLY 37 Ca -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1yji s GLY 37 CO 0.77 -0.05 -0.02 -0.55 0.00 0.00 0.00 173.10 173.24 1yji h ASP 38 N 3.73 0.00 0.00 1.64 5.19 -1.97 -3.35 116.42 121.65 1yji h ASP 38 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1yji h ASP 38 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1yji h ASP 38 CO 0.42 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 1yji n GLY 40 N 0.14 0.21 0.34 0.00 0.00 -1.26 0.21 105.19 104.83 1yji n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.43 0.90 1.94 -0.02 0.00 -1.26 -4.97 105.19 102.20 1yji n GLY 41 Ca -0.02 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1yji n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yji n SER 42 N 0.33 5.26 -3.49 1.61 3.41 0.56 -4.65 113.62 116.65 1yji n SER 42 Ca 0.00 -3.21 -0.25 0.00 -0.26 0.00 0.00 58.87 55.16 1yji n SER 42 Cb 0.00 -0.88 0.01 0.00 -0.26 0.00 0.00 64.21 63.08 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n ALA 43 N -0.36 -2.62 -1.77 7.33 0.00 -1.26 -4.90 120.51 116.93 1yji n ALA 43 Ca 0.41 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.96 1yji n ALA 43 Cb 0.94 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1yji n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yji n SER 44 N -1.41 -0.43 -2.33 0.00 3.41 -1.26 -5.05 113.62 106.54 1yji n SER 44 Ca -0.15 -1.10 -0.06 0.00 -0.26 0.00 0.00 58.87 57.31 1yji n SER 44 Cb 0.64 0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.74 1yji n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yji n ALA 46 N -1.30 2.21 0.26 0.00 0.00 -1.26 -4.64 120.51 115.78 1yji n ALA 46 Ca -0.12 -1.45 0.11 0.00 0.00 0.00 0.00 53.44 51.98 1yji n ALA 46 Cb 0.42 -0.27 0.73 0.00 0.00 0.00 0.00 19.45 20.33 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 0.80 0.84 -1.82 0.00 1.35 -1.83 -2.54 112.91 109.71 1yji h THR 47 Ca 0.00 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 65.13 1yji h THR 47 Cb 0.76 0.99 -0.24 0.00 -1.73 0.00 0.00 68.15 67.93 1yji h THR 47 CO 0.03 0.00 1.10 0.00 -0.25 0.00 0.00 175.52 176.40 1yji s HIS 49 N -3.42 2.13 0.19 0.00 5.04 -0.96 -2.81 115.29 115.46 1yji s HIS 49 Ca 0.49 0.05 0.02 0.00 -1.54 0.00 0.00 55.06 54.08 1yji s HIS 49 Cb 0.32 -4.44 -0.05 0.00 0.04 0.00 0.00 32.58 28.46 1yji s HIS 49 CO -0.26 -2.05 -0.00 0.14 -2.34 0.00 0.00 174.74 170.23 1yji s VAL 50 N 6.94 0.80 -0.28 0.89 -7.23 -1.24 -4.43 120.40 115.85 1yji s VAL 50 Ca 0.50 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1yji s VAL 50 Cb -0.07 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.73 1yji s VAL 50 CO 0.08 -0.44 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.11 1yji s TYR 51 N -3.58 3.15 -0.05 2.82 2.02 0.46 -3.28 117.35 118.89 1yji s TYR 51 Ca 0.25 -1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 55.18 1yji s TYR 51 Cb 0.06 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1yji s TYR 51 CO 0.05 -0.73 0.67 0.08 -1.57 0.00 0.00 175.55 174.06 1yji s VAL 52 N 1.34 5.01 0.02 0.71 1.01 -1.26 0.19 120.40 127.42 1yji s VAL 52 Ca -0.01 1.39 -0.37 0.00 0.00 0.00 0.00 61.98 62.98 1yji s VAL 52 Cb -0.18 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.03 1yji s VAL 52 CO -0.02 0.29 1.41 -0.46 0.00 0.00 0.00 175.10 176.32 1yji n ASN 53 N 3.53 1.75 0.00 3.32 2.04 -0.25 -4.67 115.26 120.98 1yji n ASN 53 Ca -0.03 1.11 0.00 0.00 -0.44 0.00 0.00 54.58 55.22 1yji n ASN 53 Cb 0.51 -1.18 0.00 0.00 -2.53 0.00 0.00 39.78 36.59 1yji n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1yji n GLU 54 N 3.03 0.00 0.01 -3.83 0.28 -1.26 -1.30 120.64 117.57 1yji n GLU 54 Ca 0.20 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.31 1yji n GLU 54 Cb 0.18 -1.00 -0.13 0.00 1.43 0.00 0.00 31.44 31.92 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 -0.40 3.04 0.27 -1.84 0.00 -1.26 -4.33 120.51 115.99 1yji n ALA 55 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 52.99 1yji n ALA 55 Cb 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.20 0.00 -0.07 0.00 3.01 -0.42 -4.59 117.46 113.19 1yji n PHE 56 Ca -0.02 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 1yji n PHE 56 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 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 0.32 1.29 -0.20 4.37 1.35 -1.74 0.20 112.91 118.49 1yji h THR 57 Ca 0.00 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1yji h THR 57 Cb 0.17 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1yji h THR 57 CO 0.00 0.55 0.00 -0.90 -0.25 0.00 0.00 175.52 174.92 1yji n ASP 58 N -4.09 1.12 0.00 5.36 5.75 -1.26 -3.79 116.55 119.63 1yji n ASP 58 Ca -0.05 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1yji n ASP 58 Cb 0.61 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.10 0.61 -2.09 0.11 5.02 -1.10 -5.04 118.16 115.78 1yji n LYS 59 Ca 0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.07 1yji n LYS 59 Cb 0.18 -1.00 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.99 3.68 -0.55 -0.18 0.11 0.04 -4.91 120.40 116.60 1yji s VAL 60 Ca 0.00 0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 59.11 1yji s VAL 60 Cb 0.00 -3.51 -0.09 0.00 -1.53 0.00 0.00 36.38 31.25 1yji s VAL 60 CO 0.00 -0.61 2.44 -0.81 -3.33 0.00 0.00 175.10 172.79 1yji n PRO 61 N -2.81 0.92 -1.98 1.54 -0.04 -1.26 -4.88 135.00 126.49 1yji n PRO 61 Ca 0.06 -0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1yji n PRO 61 Cb 0.57 -3.31 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 1yji n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yji s ALA 62 N 12.13 2.32 0.79 0.55 0.00 -1.26 -4.88 121.76 131.41 1yji s ALA 62 Ca 1.01 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1yji s ALA 62 Cb -0.26 -4.22 0.04 0.00 0.00 0.00 0.00 23.12 18.68 1yji s ALA 62 CO 0.27 -3.58 0.94 0.00 0.00 0.00 0.00 175.76 173.40 1yji n ALA 63 N 12.34 -0.61 -0.38 0.00 0.00 -1.26 -4.98 120.51 125.62 1yji n ALA 63 Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1yji n ALA 63 Cb 0.51 -2.10 0.24 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.17 -3.77 0.00 0.00 0.23 -1.26 -4.82 115.26 103.48 1yji n ASN 64 Ca 0.12 -0.70 0.06 0.00 -0.53 0.00 0.00 54.58 53.53 1yji n ASN 64 Cb 0.50 -0.81 0.37 0.00 -2.08 0.00 0.00 39.78 37.77 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 -4.93 0.50 -0.16 -3.83 0.28 -1.26 -3.40 120.64 107.84 1yji n GLU 65 Ca 0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.00 1yji n GLU 65 Cb 0.48 -1.39 -0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 0.93 -0.21 3.44 3.08 -2.02 -2.99 114.38 116.63 1yji h ARG 66 Ca 0.00 -0.37 -0.18 0.00 0.07 0.00 0.00 59.98 59.50 1yji h ARG 66 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1yji h ARG 66 CO 0.00 1.03 -0.58 0.93 -1.07 0.00 0.00 179.97 180.27 1yji h GLU 67 N 0.78 0.76 -1.17 0.04 3.07 -1.90 -2.93 114.58 113.24 1yji h GLU 67 Ca 0.12 -0.54 0.34 0.00 -0.50 0.00 0.00 59.36 58.77 1yji h GLU 67 Cb 0.69 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.64 1yji h GLU 67 CO 0.05 1.16 0.84 0.82 -1.40 0.00 0.00 179.01 180.48 1yji h ILE 68 N 0.49 0.42 0.00 3.13 5.03 -1.69 0.96 117.51 125.85 1yji h ILE 68 Ca -0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1yji h ILE 68 Cb 1.20 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 1yji h ILE 68 CO 0.13 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.21 1yji n GLY 69 N -1.76 -1.03 0.48 5.37 0.00 -1.11 -2.63 105.19 104.51 1yji n GLY 69 Ca 0.25 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.59 1yji n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yji h MET 70 N 0.00 0.16 -0.17 1.61 -0.00 -1.57 2.60 114.93 117.57 1yji h MET 70 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.74 1yji h MET 70 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.56 1yji h MET 70 CO 0.00 0.11 0.14 -0.07 -0.00 0.00 0.00 176.91 177.08 1yji h LEU 71 N 0.17 0.00 0.00 -0.10 3.38 -0.84 0.90 115.31 118.82 1yji h LEU 71 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1yji h LEU 71 Cb 2.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.92 1yji h LEU 71 CO -0.22 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.52 1yji n GLU 72 N -4.27 0.99 -0.96 1.13 2.13 0.87 -3.28 120.64 117.25 1yji n GLU 72 Ca 0.01 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.85 1yji n GLU 72 Cb 0.26 -1.24 0.16 0.00 0.27 0.00 0.00 31.44 30.89 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 -3.03 3.39 -1.38 0.00 -7.23 -1.20 -5.01 120.40 105.94 1yji s VAL 74 Ca 0.39 -0.49 0.22 0.00 -1.81 0.00 0.00 61.98 60.29 1yji s VAL 74 Cb 0.38 -3.28 -0.14 0.00 0.56 0.00 0.00 36.38 33.90 1yji s VAL 74 CO -0.07 -0.21 0.99 0.41 -0.31 0.00 0.00 175.10 175.91 1yji n THR 75 N -2.27 0.00 -3.62 5.32 -1.04 -1.26 -4.97 114.28 106.44 1yji n THR 75 Ca 0.04 -0.09 -0.21 0.00 -2.04 0.00 0.00 64.05 61.75 1yji n THR 75 Cb 0.59 1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 70.12 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 -2.81 4.02 -0.27 2.41 0.00 -1.26 -5.03 121.76 118.81 1yji s ALA 76 Ca 0.12 -1.89 -0.28 0.00 0.00 0.00 0.00 51.96 49.91 1yji s ALA 76 Cb 0.17 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1yji s ALA 76 CO 0.75 -0.21 2.21 -2.00 0.00 0.00 0.00 175.76 176.51 1yji s GLU 77 N -4.11 2.99 0.63 0.00 2.12 -1.26 -4.94 118.70 114.13 1yji s GLU 77 Ca 0.47 1.87 -0.15 0.00 0.36 0.00 0.00 54.97 57.53 1yji s GLU 77 Cb -0.03 -4.39 -0.02 0.00 0.26 0.00 0.00 34.13 29.96 1yji s GLU 77 CO 0.27 -2.27 1.07 -1.17 -0.54 0.00 0.00 175.26 172.63 1yji s LEU 78 N 8.77 3.39 0.17 2.70 2.96 -1.26 -5.05 118.68 130.38 1yji s LEU 78 Ca 0.98 1.84 0.10 0.00 -0.22 0.00 0.00 54.13 56.83 1yji s LEU 78 Cb -0.30 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 41.82 1yji s LEU 78 CO 0.33 -1.37 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.28 1yji s LYS 79 N -4.26 1.78 0.63 1.98 -0.14 -1.26 -4.99 119.74 113.48 1yji s LYS 79 Ca 0.64 -1.36 0.38 0.00 -1.36 0.00 0.00 55.97 54.27 1yji s LYS 79 Cb -0.17 -2.02 2.16 0.00 -1.68 0.00 0.00 37.83 36.12 1yji s LYS 79 CO 0.42 0.43 2.31 -1.00 -0.76 0.00 0.00 175.35 176.75 1yji h PRO 80 N 3.18 0.00 -0.24 -1.68 0.13 -2.02 -0.58 132.00 130.79 1yji h PRO 80 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1yji h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1yji h PRO 80 CO 0.50 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.54 1yji n ASN 81 N -3.39 3.73 -4.56 1.44 0.23 -1.26 -5.04 115.26 106.42 1yji n ASN 81 Ca -0.03 -2.99 -0.31 0.00 -0.53 0.00 0.00 54.58 50.72 1yji n ASN 81 Cb 0.09 -0.53 0.18 0.00 -2.08 0.00 0.00 39.78 37.44 1yji n ASN 81 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1yji n SER 82 N -0.55 -0.72 -3.61 0.53 7.64 -0.23 -4.36 113.62 112.32 1yji n SER 82 Ca 0.21 0.24 -0.08 0.00 1.01 0.00 0.00 58.87 60.24 1yji n SER 82 Cb 0.86 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1yji n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1yji s ARG 83 N -4.34 0.40 -0.28 1.43 0.52 -1.21 -4.96 118.95 110.51 1yji s ARG 83 Ca 0.65 0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 1yji s ARG 83 Cb -0.23 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.44 1yji s ARG 83 CO 0.62 -0.10 1.25 -0.51 0.02 0.00 0.00 175.30 176.58 1yji s LEU 84 N -0.62 3.93 0.47 2.53 1.02 -1.26 -3.69 118.68 121.06 1yji s LEU 84 Ca 0.03 1.24 0.27 0.00 0.02 0.00 0.00 54.13 55.69 1yji s LEU 84 Cb -0.02 -3.54 1.49 0.00 0.02 0.00 0.00 46.19 44.14 1yji s LEU 84 CO -0.04 -0.99 1.82 0.00 0.02 0.00 0.00 176.35 177.16 1yji n GLN 87 N -3.30 1.50 -4.39 0.00 7.27 -0.96 -4.78 117.38 112.71 1yji n GLN 87 Ca -0.15 -1.16 -0.25 0.00 0.07 0.00 0.00 57.00 55.52 1yji n GLN 87 Cb 1.03 -1.45 -0.10 0.00 2.41 0.00 0.00 30.24 32.13 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1yji s ILE 88 N -1.36 2.77 -0.09 1.69 -1.09 -1.25 -4.81 121.20 117.06 1yji s ILE 88 Ca 0.22 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1yji s ILE 88 Cb 0.18 -2.43 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1yji s ILE 88 CO 0.03 -0.29 -0.07 -0.63 -1.23 0.00 0.00 174.94 172.75 1yji s ILE 89 N -2.17 0.93 0.42 2.92 -1.09 -1.26 -4.03 121.20 116.91 1yji s ILE 89 Ca 0.28 -0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.34 1yji s ILE 89 Cb -0.06 -0.94 -0.06 0.00 -1.58 0.00 0.00 42.46 39.82 1yji s ILE 89 CO 0.15 0.34 0.77 -0.04 -1.23 0.00 0.00 174.94 174.93 1yji s MET 90 N 1.48 3.72 -0.03 2.79 -1.94 -0.46 -4.69 119.30 120.17 1yji s MET 90 Ca -0.00 0.40 -0.12 0.00 -1.71 0.00 0.00 55.69 54.27 1yji s MET 90 Cb -0.13 -2.39 0.02 0.00 2.01 0.00 0.00 34.83 34.33 1yji s MET 90 CO -0.05 -0.07 0.25 0.95 -0.01 0.00 0.00 175.02 176.10 1yji s THR 91 N -2.44 0.05 0.45 2.05 -4.23 -1.26 -3.10 115.64 107.16 1yji s THR 91 Ca 0.50 -0.44 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 1yji s THR 91 Cb -0.10 -0.52 0.30 0.00 1.34 0.00 0.00 72.50 73.52 1yji s THR 91 CO 0.34 -0.24 2.04 1.55 -0.54 0.00 0.00 174.62 177.77 1yji h PRO 92 N 4.34 0.33 0.00 3.99 0.13 -1.88 0.02 132.00 138.93 1yji h PRO 92 Ca -0.29 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1yji h PRO 92 Cb 1.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1yji h PRO 92 CO 0.39 0.22 -0.21 1.05 -0.23 0.00 0.00 178.00 179.22 1yji h GLU 93 N 0.34 0.00 -0.90 0.86 4.11 -1.98 -1.84 114.58 115.16 1yji h GLU 93 Ca 0.18 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.23 1yji h GLU 93 Cb 0.29 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.31 1yji h GLU 93 CO -0.04 0.21 0.49 1.28 0.07 0.00 0.00 179.01 181.01 1yji n LEU 94 N -4.08 6.39 -4.75 3.06 4.77 -0.02 -4.99 117.00 117.38 1yji n LEU 94 Ca -0.02 -3.38 -0.42 0.00 -0.03 0.00 0.00 56.01 52.16 1yji n LEU 94 Cb 0.28 -0.79 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1yji n LEU 94 CO 0.35 0.93 1.13 -0.90 -1.33 0.00 0.00 177.39 177.57 1yji n ASP 95 N -0.69 3.62 0.00 -1.43 5.75 -0.70 -3.28 116.55 119.82 1yji n ASP 95 Ca 0.51 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 56.49 1yji n ASP 95 Cb 1.53 -1.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1yji n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yji n GLY 96 N 1.03 1.17 3.72 6.12 0.00 0.54 -4.68 105.19 113.10 1yji n GLY 96 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 -0.61 2.07 -0.38 -4.81 121.20 117.88 1yji s ILE 97 Ca 0.00 0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 59.66 1yji s ILE 97 Cb 0.00 -3.34 -0.01 0.00 0.13 0.00 0.00 42.46 39.25 1yji s ILE 97 CO 0.00 0.04 0.17 -0.69 -1.91 0.00 0.00 174.94 172.55 1yji s VAL 98 N 1.13 4.73 -0.15 4.00 1.01 -1.26 -1.03 120.40 128.83 1yji s VAL 98 Ca 0.69 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1yji s VAL 98 Cb -0.43 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1yji s VAL 98 CO 0.31 0.04 0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1yji s VAL 99 N 1.63 5.01 -0.21 2.92 1.01 -0.41 -1.09 120.40 129.26 1yji s VAL 99 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1yji s VAL 99 Cb -0.17 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1yji s VAL 99 CO 0.07 0.53 0.01 -1.81 0.00 0.00 0.00 175.10 173.90 1yji s ASP 100 N -0.28 4.85 -0.19 3.32 1.01 0.52 0.16 116.67 126.05 1yji s ASP 100 Ca 0.09 -0.21 -0.03 0.00 0.71 0.00 0.00 52.55 53.11 1yji s ASP 100 Cb -0.12 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1yji s ASP 100 CO 0.01 0.05 -0.05 -0.69 0.21 0.00 0.00 175.17 174.71 1yji s VAL 101 N 1.07 3.52 0.85 -1.27 1.01 -0.02 0.17 120.40 125.75 1yji s VAL 101 Ca 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1yji s VAL 101 Cb -0.14 -2.57 0.15 0.00 0.00 0.00 0.00 36.38 33.81 1yji s VAL 101 CO 0.02 0.45 1.19 -2.16 0.00 0.00 0.00 175.10 174.60 1yji s PRO 102 N 1.02 1.27 0.26 2.72 0.04 -1.26 -3.44 135.00 135.62 1yji s PRO 102 Ca 0.01 -0.44 0.24 0.00 0.04 0.00 0.00 61.00 60.85 1yji s PRO 102 Cb -0.15 -2.00 0.42 0.00 0.04 0.00 0.00 34.50 32.82 1yji s PRO 102 CO 0.00 -1.93 1.50 0.22 0.04 0.00 0.00 177.00 176.83 1yji h ASP 103 N -1.19 0.00 -3.40 6.66 3.58 -1.97 -3.38 116.42 116.73 1yji h ASP 103 Ca -0.43 -0.05 -0.71 0.00 0.42 0.00 0.00 57.03 56.26 1yji h ASP 103 Cb 1.27 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.97 1yji h ASP 103 CO 0.46 0.02 -0.06 -0.13 -2.88 0.00 0.00 179.24 176.65 1yji s ARG 104 N -3.19 3.32 0.04 0.28 1.81 -1.26 -4.85 118.95 115.10 1yji s ARG 104 Ca 0.07 -3.23 0.01 0.00 -1.72 0.00 0.00 55.73 50.86 1yji s ARG 104 Cb 0.10 -4.00 -0.25 0.00 -0.45 0.00 0.00 34.95 30.35 1yji s ARG 104 CO 0.68 -1.26 1.01 0.37 -0.68 0.00 0.00 175.30 175.42 1yji h GLN 105 N 6.12 0.15 0.00 3.54 4.15 -1.86 -3.40 115.11 123.82 1yji h GLN 105 Ca 0.15 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1yji h GLN 105 Cb 0.83 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1yji h GLN 105 CO 0.86 1.03 0.00 1.87 -1.93 0.00 0.00 178.83 180.66