#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 3.66 -0.36 4.33 -0.14 -1.26 -2.22 119.74 123.75 1yji s LYS 2 Ca 0.00 0.40 -0.07 0.00 -1.36 0.00 0.00 55.97 54.94 1yji s LYS 2 Cb 0.00 -3.90 0.05 0.00 -1.68 0.00 0.00 37.83 32.30 1yji s LYS 2 CO 0.00 -1.26 0.15 0.08 -0.76 0.00 0.00 175.35 173.56 1yji s VAL 3 N 4.02 3.94 -0.22 3.17 1.01 -0.99 -0.79 120.40 130.54 1yji s VAL 3 Ca 0.42 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1yji s VAL 3 Cb -0.09 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1yji s VAL 3 CO 0.28 -0.27 0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1yji s VAL 4 N 1.41 5.35 -0.35 2.92 1.01 -0.67 -0.30 120.40 129.77 1yji s VAL 4 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1yji s VAL 4 Cb -0.20 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1yji s VAL 4 CO 0.03 0.35 0.20 -0.31 0.00 0.00 0.00 175.10 175.37 1yji s TYR 5 N 0.92 3.22 -0.27 5.22 2.02 0.18 -0.52 117.35 128.11 1yji s TYR 5 Ca 0.09 -0.68 -0.11 0.00 -0.37 0.00 0.00 57.07 56.00 1yji s TYR 5 Cb -0.13 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.96 1yji s TYR 5 CO 0.04 -0.53 0.20 0.08 -1.57 0.00 0.00 175.55 173.76 1yji s VAL 6 N 1.61 5.31 0.00 0.71 1.01 0.19 -2.33 120.40 126.90 1yji s VAL 6 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1yji s VAL 6 Cb -0.18 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1yji s VAL 6 CO 0.07 0.26 0.00 -1.54 0.00 0.00 0.00 175.10 173.89 1yji n SER 7 N 4.95 0.00 -0.05 3.32 3.41 -0.92 -0.78 113.62 123.54 1yji n SER 7 Ca -0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.25 1yji n SER 7 Cb 0.52 0.00 -0.13 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 0.00 1.04 0.66 7.33 1.44 -1.24 -4.04 115.22 120.42 1yji n HIS 8 Ca 0.00 0.31 0.05 0.00 -2.01 0.00 0.00 57.72 56.07 1yji n HIS 8 Cb 0.00 -1.12 0.32 0.00 0.12 0.00 0.00 29.99 29.31 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 -3.88 0.00 0.00 4.39 5.75 -1.26 -4.78 116.55 116.77 1yji n ASP 9 Ca -0.34 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 1yji n ASP 9 Cb 0.90 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 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 0.69 3.74 6.12 0.00 -1.26 -5.03 105.19 109.13 1yji n GLY 10 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.71 3.50 0.32 2.61 -1.32 -1.26 -4.82 115.64 111.95 1yji s THR 11 Ca 0.00 1.29 0.08 0.00 -1.21 0.00 0.00 61.69 61.85 1yji s THR 11 Cb 0.00 -3.83 -0.03 0.00 -1.51 0.00 0.00 72.50 67.13 1yji s THR 11 CO 0.00 0.22 0.24 -0.13 -2.21 0.00 0.00 174.62 172.74 1yji s ARG 12 N -0.41 2.69 -0.23 7.08 0.52 -1.26 -2.17 118.95 125.16 1yji s ARG 12 Ca 0.52 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1yji s ARG 12 Cb -0.33 -2.43 0.12 0.00 0.52 0.00 0.00 34.95 32.83 1yji s ARG 12 CO 0.38 0.17 0.37 0.50 0.02 0.00 0.00 175.30 176.74 1yji s ARG 13 N -3.93 0.33 -0.22 3.54 3.52 -0.98 -4.94 118.95 116.27 1yji s ARG 13 Ca 0.38 0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 56.53 1yji s ARG 13 Cb -0.06 -0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.98 1yji s ARG 13 CO 0.25 -0.54 0.14 -1.21 -0.81 0.00 0.00 175.30 173.14 1yji s GLU 14 N 2.55 4.12 0.27 5.12 2.02 -1.26 -0.65 118.70 130.88 1yji s GLU 14 Ca 0.09 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.84 1yji s GLU 14 Cb -0.14 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.64 1yji s GLU 14 CO -0.15 0.19 0.11 -0.11 0.02 0.00 0.00 175.26 175.33 1yji n LEU 15 N 3.86 0.00 -3.68 1.80 -0.00 0.59 -4.91 117.00 114.66 1yji n LEU 15 Ca -0.16 -1.55 -0.29 0.00 -0.00 0.00 0.00 56.01 54.01 1yji n LEU 15 Cb 0.52 0.08 -0.15 0.00 -0.00 0.00 0.00 43.42 43.86 1yji n LEU 15 CO 0.36 -0.33 -0.33 -0.62 -0.00 0.00 0.00 177.39 176.46 1yji s ASP 16 N -2.55 3.83 -0.27 1.96 2.15 -1.26 -2.34 116.67 118.20 1yji s ASP 16 Ca 0.08 -1.50 -0.05 0.00 0.43 0.00 0.00 52.55 51.52 1yji s ASP 16 Cb -0.01 -0.71 0.01 0.00 -0.30 0.00 0.00 42.92 41.91 1yji s ASP 16 CO 0.05 -0.42 0.01 -0.69 -0.17 0.00 0.00 175.17 173.96 1yji s VAL 17 N 1.76 3.51 1.18 1.11 1.01 -0.94 -4.74 120.40 123.28 1yji s VAL 17 Ca 0.09 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1yji s VAL 17 Cb -0.17 -2.77 0.28 0.00 0.00 0.00 0.00 36.38 33.72 1yji s VAL 17 CO -0.27 0.17 1.12 0.00 0.00 0.00 0.00 175.10 176.12 1yji s ALA 18 N 1.44 0.69 0.31 5.51 0.00 -1.26 0.62 121.76 129.06 1yji s ALA 18 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1yji s ALA 18 Cb -0.17 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1yji s ALA 18 CO -0.01 -3.49 1.36 0.16 0.00 0.00 0.00 175.76 173.78 1yji s ASP 19 N -3.89 6.71 0.00 0.00 -4.77 -1.26 -2.44 116.67 111.02 1yji s ASP 19 Ca 0.71 2.71 0.00 0.00 -3.30 0.00 0.00 52.55 52.66 1yji s ASP 19 Cb -0.10 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 1yji s ASP 19 CO 0.56 -0.61 0.00 0.61 0.70 0.00 0.00 175.17 176.43 1yji n GLY 20 N 1.17 2.95 3.78 2.12 0.00 -1.10 -4.99 105.19 109.11 1yji n GLY 20 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.84 4.36 0.14 1.61 1.01 -1.02 -4.81 120.40 119.84 1yji s VAL 21 Ca 0.00 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1yji s VAL 21 Cb 0.00 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1yji s VAL 21 CO 0.00 0.47 0.44 -0.94 0.00 0.00 0.00 175.10 175.07 1yji s SER 22 N -1.23 6.60 0.50 3.32 1.04 -1.26 -1.09 113.70 121.59 1yji s SER 22 Ca 0.37 0.78 0.28 0.00 0.48 0.00 0.00 55.95 57.86 1yji s SER 22 Cb -0.22 -2.17 1.37 0.00 0.10 0.00 0.00 66.02 65.10 1yji s SER 22 CO 0.26 0.08 1.85 -0.07 0.98 0.00 0.00 173.24 176.33 1yji h LEU 23 N 3.17 0.14 -1.16 2.42 3.38 -1.75 0.90 115.31 122.41 1yji h LEU 23 Ca -0.48 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 1yji h LEU 23 Cb 1.18 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1yji h LEU 23 CO 0.69 0.04 -0.41 -0.03 0.09 0.00 0.00 178.44 178.82 1yji h MET 24 N 0.13 0.00 0.25 1.13 4.05 -1.86 -1.14 114.93 117.49 1yji h MET 24 Ca 0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.90 1yji h MET 24 Cb 1.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.51 1yji h MET 24 CO -0.08 0.41 -0.12 1.96 0.23 0.00 0.00 176.91 179.31 1yji h GLN 25 N 0.00 -0.33 -0.09 0.39 1.08 0.48 -3.22 115.11 113.42 1yji h GLN 25 Ca -0.00 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1yji h GLN 25 Cb 0.75 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1yji h GLN 25 CO 0.05 -0.22 0.10 0.00 -0.95 0.00 0.00 178.83 177.82 1yji h ALA 26 N -1.47 1.68 0.00 3.87 0.00 -1.56 0.15 119.26 121.94 1yji h ALA 26 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yji h ALA 26 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yji h ALA 26 CO 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 179.25 179.16 1yji h ALA 27 N 1.88 1.05 0.00 0.00 0.00 -1.21 0.60 119.26 121.57 1yji h ALA 27 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1yji h ALA 27 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yji h ALA 27 CO -0.00 0.00 -0.86 0.28 0.00 0.00 0.00 179.25 178.67 1yji h VAL 28 N 0.00 0.30 0.00 0.00 2.07 -0.72 1.09 116.25 119.00 1yji h VAL 28 Ca -0.00 -1.51 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 1yji h VAL 28 Cb 0.01 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1yji h VAL 28 CO 0.00 0.17 -0.67 -1.28 0.02 0.00 0.00 177.57 175.82 1yji h SER 29 N 0.00 0.00 -0.01 0.57 0.87 -0.93 -3.23 113.55 110.81 1yji h SER 29 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1yji h SER 29 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1yji h SER 29 CO 0.03 0.67 -0.00 0.59 -0.53 0.00 0.00 176.83 177.58 1yji n ASN 30 N -3.28 1.67 -2.61 6.23 5.03 -0.98 -5.04 115.26 116.29 1yji n ASN 30 Ca 0.01 -1.34 -0.06 0.00 0.87 0.00 0.00 54.58 54.06 1yji n ASN 30 Cb 0.80 0.01 0.01 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 0.47 -1.20 1.25 7.41 0.00 0.43 -5.03 105.19 108.53 1yji n GLY 31 Ca 0.05 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 -0.37 0.63 0.76 -0.61 5.41 0.35 -4.85 119.36 120.68 1yji n ILE 32 Ca 0.10 0.21 0.11 0.00 1.00 0.00 0.00 62.75 64.17 1yji n ILE 32 Cb 0.38 -1.15 0.10 0.00 -0.71 0.00 0.00 39.64 38.26 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 -3.16 0.19 -0.35 1.39 4.01 -1.25 -4.38 117.16 113.61 1yji n TYR 33 Ca 0.00 0.05 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 1yji n TYR 33 Cb 0.00 -0.35 0.13 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.78 -0.35 -4.64 7.72 5.75 -1.26 -4.39 116.55 117.60 1yji n ASP 34 Ca 0.04 1.66 -0.59 0.00 -0.01 0.00 0.00 54.79 55.88 1yji n ASP 34 Cb 0.39 -0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 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 -5.57 0.08 -1.28 2.12 3.06 -1.26 -4.44 119.36 112.08 1yji n ILE 35 Ca 0.15 -0.01 0.14 0.00 -2.50 0.00 0.00 62.75 60.53 1yji n ILE 35 Cb 0.48 -0.63 -0.07 0.00 0.54 0.00 0.00 39.64 39.96 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 3.15 -0.52 0.00 9.51 0.31 -1.26 -5.04 118.33 124.48 1yji n VAL 36 Ca 0.24 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 1yji n VAL 36 Cb 0.08 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1yji n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yji n GLY 37 N -4.03 1.08 0.00 2.92 0.00 -1.26 -5.03 105.19 98.88 1yji n GLY 37 Ca -0.06 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1yji n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yji n ASP 38 N 0.00 0.00 -0.29 1.61 2.03 -1.26 -4.27 116.55 114.37 1yji n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1yji n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1yji n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yji n GLY 40 N 0.14 0.42 0.86 0.00 0.00 -1.26 -3.26 105.19 102.09 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 0.33 -1.69 0.62 -0.02 0.00 -1.26 -5.05 105.19 98.11 1yji n GLY 41 Ca -0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 1yji n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yji n SER 42 N -0.00 -0.23 -3.26 1.61 2.88 -1.20 -4.96 113.62 108.46 1yji n SER 42 Ca 0.00 -1.26 -0.12 0.00 -1.33 0.00 0.00 58.87 56.16 1yji n SER 42 Cb 0.00 0.06 0.04 0.00 -0.75 0.00 0.00 64.21 63.57 1yji n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yji n ALA 43 N 0.00 -2.51 -1.97 -1.46 0.00 -1.26 -4.93 120.51 108.39 1yji n ALA 43 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1yji n ALA 43 Cb 0.55 -4.12 -0.02 0.00 0.00 0.00 0.00 19.45 15.86 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 -2.69 -0.30 -3.68 0.00 2.88 -1.26 -5.00 113.62 103.57 1yji n SER 44 Ca -0.06 -1.26 -0.08 0.00 -1.33 0.00 0.00 58.87 56.15 1yji n SER 44 Cb 0.58 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 64.11 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 -0.42 2.45 -0.08 0.00 0.00 -1.26 -4.46 120.51 116.74 1yji n ALA 46 Ca -0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 1yji n ALA 46 Cb 0.61 -0.93 -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 1.15 0.00 0.00 0.00 177.50 178.65 1yji h THR 47 N 3.93 0.29 -0.01 0.00 2.02 -1.77 -1.09 112.91 116.29 1yji h THR 47 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 1yji h THR 47 Cb 0.86 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1yji h THR 47 CO 0.00 0.00 1.21 0.00 0.37 0.00 0.00 175.52 177.10 1yji s HIS 49 N 1.41 2.40 0.14 0.00 5.04 -0.41 -1.67 115.29 122.19 1yji s HIS 49 Ca 0.68 0.45 -0.05 0.00 -1.54 0.00 0.00 55.06 54.60 1yji s HIS 49 Cb 0.27 -4.44 -0.02 0.00 0.04 0.00 0.00 32.58 28.42 1yji s HIS 49 CO -0.02 -1.84 0.16 0.14 -2.34 0.00 0.00 174.74 170.83 1yji s VAL 50 N 5.63 0.09 -0.31 0.89 -7.23 -1.19 -4.49 120.40 113.79 1yji s VAL 50 Ca 0.49 -1.64 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1yji s VAL 50 Cb -0.10 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 34.98 1yji s VAL 50 CO 0.25 -0.42 0.05 -0.31 -0.31 0.00 0.00 175.10 174.36 1yji s TYR 51 N -4.00 3.23 -0.05 2.82 2.02 0.48 -3.14 117.35 118.72 1yji s TYR 51 Ca 0.19 -1.53 -0.24 0.00 -0.37 0.00 0.00 57.07 55.13 1yji s TYR 51 Cb 0.06 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1yji s TYR 51 CO -0.00 -0.74 0.73 0.08 -1.57 0.00 0.00 175.55 174.05 1yji s VAL 52 N 1.36 5.00 -0.07 0.71 1.01 -1.26 0.19 120.40 127.34 1yji s VAL 52 Ca -0.02 1.51 -0.39 0.00 0.00 0.00 0.00 61.98 63.08 1yji s VAL 52 Cb -0.19 -4.07 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1yji s VAL 52 CO 0.01 0.26 1.47 -3.20 0.00 0.00 0.00 175.10 173.64 1yji n ASN 53 N 3.66 1.75 -0.20 3.32 5.15 -0.20 -4.67 115.26 124.06 1yji n ASN 53 Ca -0.01 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 1yji n ASN 53 Cb 0.51 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 3.49 0.00 -0.01 1.20 0.28 -1.26 -1.41 120.64 122.93 1yji n GLU 54 Ca 0.22 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.32 1yji n GLU 54 Cb 0.15 -0.97 -0.16 0.00 1.43 0.00 0.00 31.44 31.89 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 -0.09 2.97 0.28 -1.84 0.00 -1.26 -4.39 120.51 116.18 1yji n ALA 55 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 52.96 1yji n ALA 55 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.16 0.00 -0.10 0.00 3.01 -0.50 -4.57 117.46 113.15 1yji n PHE 56 Ca -0.03 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.30 1yji n PHE 56 Cb 0.53 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.94 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 1.30 -0.03 4.37 1.35 -1.76 0.10 112.91 118.25 1yji h THR 57 Ca 0.00 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1yji h THR 57 Cb 0.17 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1yji h THR 57 CO 0.00 0.43 0.00 -0.90 -0.25 0.00 0.00 175.52 174.80 1yji n ASP 58 N -4.33 0.25 -0.04 5.36 5.75 -1.26 -3.56 116.55 118.72 1yji n ASP 58 Ca -0.03 -1.50 -0.06 0.00 -0.01 0.00 0.00 54.79 53.19 1yji n ASP 58 Cb 0.42 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.60 0.68 -2.28 0.11 5.02 -1.00 -4.98 118.16 115.11 1yji n LYS 59 Ca 0.13 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 1yji n LYS 59 Cb 0.10 -1.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.18 4.75 -0.75 -0.18 0.11 0.32 -4.87 120.40 117.62 1yji s VAL 60 Ca -0.10 0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 59.48 1yji s VAL 60 Cb 0.03 -3.83 -0.18 0.00 -1.53 0.00 0.00 36.38 30.87 1yji s VAL 60 CO 0.22 -0.92 1.96 -0.81 -3.33 0.00 0.00 175.10 172.22 1yji n PRO 61 N -2.27 0.18 -1.56 1.54 -0.04 -1.26 -4.83 135.00 126.76 1yji n PRO 61 Ca 0.04 -0.73 -0.40 0.00 -0.04 0.00 0.00 63.50 62.37 1yji n PRO 61 Cb 0.54 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 1yji n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yji n ALA 62 N 13.20 1.24 -1.58 0.55 0.00 -1.26 -4.90 120.51 127.77 1yji n ALA 62 Ca 0.39 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1yji n ALA 62 Cb 0.39 -3.02 0.07 0.00 0.00 0.00 0.00 19.45 16.90 1yji n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yji n ALA 63 N 13.53 0.35 -0.82 0.00 0.00 -1.26 -4.99 120.51 127.31 1yji n ALA 63 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.69 1yji n ALA 63 Cb 0.47 -2.17 0.08 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.36 -2.42 0.00 0.00 0.23 -1.26 -4.82 115.26 105.62 1yji n ASN 64 Ca 0.14 -0.32 0.07 0.00 -0.53 0.00 0.00 54.58 53.94 1yji n ASN 64 Cb 0.48 -0.29 0.43 0.00 -2.08 0.00 0.00 39.78 38.32 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 -3.00 0.55 -0.03 -3.83 0.28 -1.26 -3.41 120.64 109.94 1yji n GLU 65 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.89 1yji n GLU 65 Cb 0.17 -1.40 -0.10 0.00 1.43 0.00 0.00 31.44 31.54 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 0.26 0.00 3.44 3.08 -2.02 -2.98 114.38 116.16 1yji h ARG 66 Ca 0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1yji h ARG 66 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1yji h ARG 66 CO 0.00 0.88 -0.11 0.93 -1.07 0.00 0.00 179.97 180.60 1yji h GLU 67 N -0.29 0.00 -0.23 0.04 3.07 -1.89 -1.79 114.58 113.49 1yji h GLU 67 Ca -0.02 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1yji h GLU 67 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1yji h GLU 67 CO 0.05 0.11 -0.33 0.82 -1.40 0.00 0.00 179.01 178.27 1yji h ILE 68 N 0.00 1.28 -0.01 3.13 5.03 -1.67 -2.54 117.51 122.73 1yji h ILE 68 Ca -0.00 -1.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.33 1yji h ILE 68 Cb 0.31 1.47 -0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1yji h ILE 68 CO 0.01 0.44 0.01 1.23 -0.68 0.00 0.00 178.15 179.17 1yji h GLY 69 N 1.06 0.00 1.05 5.37 0.00 -1.18 -0.45 103.07 108.93 1yji h GLY 69 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.09 1yji h GLY 69 CO 0.06 0.00 -1.66 -0.33 0.00 0.00 0.00 176.54 174.61 1yji h MET 70 N 0.00 0.05 0.00 4.80 2.86 -1.55 -3.27 114.93 117.81 1yji h MET 70 Ca 0.00 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1yji h MET 70 Cb 0.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1yji h MET 70 CO -0.00 0.67 -0.12 -0.07 1.06 0.00 0.00 176.91 178.45 1yji h LEU 71 N 0.01 0.00 -0.03 1.22 3.38 -0.84 0.32 115.31 119.37 1yji h LEU 71 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yji h LEU 71 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1yji h LEU 71 CO 0.09 0.12 0.00 1.21 0.09 0.00 0.00 178.44 179.95 1yji n GLU 72 N -3.39 1.02 -1.05 1.13 2.13 -0.40 -3.36 120.64 116.72 1yji n GLU 72 Ca -0.01 -0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.77 1yji n GLU 72 Cb 0.30 -1.46 0.15 0.00 0.27 0.00 0.00 31.44 30.70 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 -3.35 3.40 -1.60 0.00 -7.23 -1.21 -4.87 120.40 105.54 1yji s VAL 74 Ca 0.41 -0.67 0.18 0.00 -1.81 0.00 0.00 61.98 60.09 1yji s VAL 74 Cb 0.38 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1yji s VAL 74 CO -0.05 -0.15 0.91 0.41 -0.31 0.00 0.00 175.10 175.91 1yji n THR 75 N -2.11 0.00 -3.65 5.32 -1.04 -1.26 -4.99 114.28 106.55 1yji n THR 75 Ca 0.04 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.05 61.53 1yji n THR 75 Cb 0.59 1.20 -0.03 0.00 -1.82 0.00 0.00 70.33 70.27 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 -2.06 4.04 -0.30 2.41 0.00 -1.26 -5.03 121.76 119.55 1yji s ALA 76 Ca 0.14 -1.87 -0.28 0.00 0.00 0.00 0.00 51.96 49.95 1yji s ALA 76 Cb 0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1yji s ALA 76 CO 0.46 -0.25 2.19 -2.00 0.00 0.00 0.00 175.76 176.16 1yji s GLU 77 N -4.12 2.93 0.77 0.00 2.12 -1.26 -4.95 118.70 114.19 1yji s GLU 77 Ca 0.46 1.77 -0.11 0.00 0.36 0.00 0.00 54.97 57.46 1yji s GLU 77 Cb -0.02 -4.39 0.06 0.00 0.26 0.00 0.00 34.13 30.03 1yji s GLU 77 CO 0.27 -2.34 1.09 -1.17 -0.54 0.00 0.00 175.26 172.57 1yji s LEU 78 N 8.95 3.04 0.17 2.70 2.96 -1.26 -5.05 118.68 130.19 1yji s LEU 78 Ca 0.96 1.84 0.09 0.00 -0.22 0.00 0.00 54.13 56.80 1yji s LEU 78 Cb -0.28 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 41.85 1yji s LEU 78 CO 0.33 -2.05 -0.21 -0.54 -1.32 0.00 0.00 176.35 172.56 1yji s LYS 79 N -4.88 1.34 0.62 1.98 -0.14 -1.26 -4.99 119.74 112.41 1yji s LYS 79 Ca 0.61 -1.42 0.33 0.00 -1.36 0.00 0.00 55.97 54.13 1yji s LYS 79 Cb -0.17 -1.52 1.89 0.00 -1.68 0.00 0.00 37.83 36.35 1yji s LYS 79 CO 0.56 0.32 2.19 -1.00 -0.76 0.00 0.00 175.35 176.66 1yji h PRO 80 N 3.33 0.00 -0.13 -1.68 0.13 -2.02 -0.90 132.00 130.72 1yji h PRO 80 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1yji h PRO 80 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1yji h PRO 80 CO 0.49 0.00 -0.25 0.27 -0.23 0.00 0.00 178.00 178.27 1yji n ASN 81 N -3.55 2.20 -4.48 1.44 0.23 -1.26 -5.06 115.26 104.78 1yji n ASN 81 Ca -0.01 -3.68 -0.30 0.00 -0.53 0.00 0.00 54.58 50.06 1yji n ASN 81 Cb 0.20 -0.55 0.22 0.00 -2.08 0.00 0.00 39.78 37.57 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 -1.13 -1.41 -3.59 0.53 7.64 -0.35 -4.35 113.62 110.97 1yji n SER 82 Ca 0.23 -0.01 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 1yji n SER 82 Cb 0.81 -1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1yji n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1yji s ARG 83 N -4.28 0.44 -0.05 1.43 3.52 -1.19 -4.94 118.95 113.88 1yji s ARG 83 Ca 0.66 0.00 -0.27 0.00 -0.13 0.00 0.00 55.73 56.00 1yji s ARG 83 Cb -0.23 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 1yji s ARG 83 CO 0.64 -0.16 0.84 -0.51 -0.81 0.00 0.00 175.30 175.31 1yji s LEU 84 N -1.49 4.32 0.00 -0.88 1.02 -1.26 -3.16 118.68 117.23 1yji s LEU 84 Ca 0.04 1.39 0.23 0.00 0.02 0.00 0.00 54.13 55.81 1yji s LEU 84 Cb -0.01 -3.32 1.14 0.00 0.02 0.00 0.00 46.19 44.02 1yji s LEU 84 CO -0.03 -0.22 1.75 0.00 0.02 0.00 0.00 176.35 177.86 1yji n GLN 87 N -3.23 2.44 -4.21 0.00 7.27 -1.23 -4.77 117.38 113.66 1yji n GLN 87 Ca -0.21 -2.53 -0.17 0.00 0.07 0.00 0.00 57.00 54.16 1yji n GLN 87 Cb 1.05 -2.15 -0.11 0.00 2.41 0.00 0.00 30.24 31.44 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 -2.76 1.19 -0.07 1.69 1.01 -1.26 -4.92 121.20 116.08 1yji s ILE 88 Ca 0.57 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1yji s ILE 88 Cb 0.39 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.45 1yji s ILE 88 CO -0.25 -0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 173.52 1yji s ILE 89 N -2.12 1.08 0.47 2.92 -1.09 -1.26 -3.98 121.20 117.22 1yji s ILE 89 Ca 0.07 -0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1yji s ILE 89 Cb -0.05 -1.02 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 1yji s ILE 89 CO 0.02 0.35 0.75 -0.32 -1.23 0.00 0.00 174.94 174.51 1yji s MET 90 N 0.90 3.39 -0.03 2.79 1.75 -0.25 -4.83 119.30 123.03 1yji s MET 90 Ca -0.10 0.00 -0.17 0.00 -1.25 0.00 0.00 55.69 54.17 1yji s MET 90 Cb -0.15 -2.43 0.03 0.00 2.84 0.00 0.00 34.83 35.12 1yji s MET 90 CO 0.01 -0.22 0.37 0.95 -0.65 0.00 0.00 175.02 175.48 1yji s THR 91 N -2.68 0.05 0.27 10.11 -4.23 -1.26 -2.73 115.64 115.16 1yji s THR 91 Ca 0.47 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 1yji s THR 91 Cb -0.10 -0.67 0.27 0.00 1.34 0.00 0.00 72.50 73.34 1yji s THR 91 CO 0.43 -0.21 1.92 1.55 -0.54 0.00 0.00 174.62 177.76 1yji h PRO 92 N 3.81 1.18 0.00 3.99 0.13 -1.90 -0.42 132.00 138.79 1yji h PRO 92 Ca -0.29 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1yji h PRO 92 Cb 1.17 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1yji h PRO 92 CO 0.39 0.78 -0.10 1.05 -0.23 0.00 0.00 178.00 179.89 1yji h GLU 93 N 1.21 0.00 -0.75 0.86 4.11 -2.00 -1.23 114.58 116.77 1yji h GLU 93 Ca 0.39 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.61 1yji h GLU 93 Cb 0.02 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.15 1yji h GLU 93 CO -0.12 0.10 0.26 1.28 0.07 0.00 0.00 179.01 180.60 1yji n LEU 94 N -3.68 6.07 -4.77 3.06 4.77 -0.19 -4.97 117.00 117.29 1yji n LEU 94 Ca -0.02 -3.15 -0.40 0.00 -0.03 0.00 0.00 56.01 52.41 1yji n LEU 94 Cb 0.22 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1yji n LEU 94 CO 0.30 0.79 0.99 1.51 -1.33 0.00 0.00 177.39 179.64 1yji s ASP 95 N -0.95 6.58 0.00 -1.43 -4.77 -0.47 -3.41 116.67 112.21 1yji s ASP 95 Ca 0.54 2.71 0.00 0.00 -3.30 0.00 0.00 52.55 52.51 1yji s ASP 95 Cb 0.43 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 1yji s ASP 95 CO 0.14 -0.67 0.00 0.61 0.70 0.00 0.00 175.17 175.95 1yji n GLY 96 N 0.72 1.05 3.71 2.12 0.00 0.03 -4.75 105.19 108.07 1yji n GLY 96 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 2.46 -0.32 -0.61 1.10 -1.03 -4.85 121.20 115.96 1yji s ILE 97 Ca 0.00 0.18 -0.10 0.00 -0.51 0.00 0.00 60.65 60.22 1yji s ILE 97 Cb 0.00 -3.11 -0.01 0.00 0.15 0.00 0.00 42.46 39.49 1yji s ILE 97 CO 0.00 0.01 0.17 -0.69 -2.11 0.00 0.00 174.94 172.31 1yji s VAL 98 N 1.92 4.69 -0.16 4.00 1.01 -1.26 -1.66 120.40 128.94 1yji s VAL 98 Ca 0.76 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1yji s VAL 98 Cb -0.46 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1yji s VAL 98 CO 0.33 0.04 0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1yji s VAL 99 N 1.63 5.17 -0.21 2.92 1.01 0.32 -1.03 120.40 130.21 1yji s VAL 99 Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1yji s VAL 99 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1yji s VAL 99 CO 0.07 0.52 0.01 -1.81 0.00 0.00 0.00 175.10 173.89 1yji s ASP 100 N -0.23 4.83 -0.16 3.32 1.11 0.51 0.53 116.67 126.58 1yji s ASP 100 Ca 0.10 -0.22 -0.02 0.00 0.18 0.00 0.00 52.55 52.59 1yji s ASP 100 Cb -0.12 -1.83 -0.01 0.00 1.07 0.00 0.00 42.92 42.03 1yji s ASP 100 CO 0.01 0.04 -0.09 -0.69 1.18 0.00 0.00 175.17 175.62 1yji s VAL 101 N 1.12 3.22 0.87 -1.27 1.01 0.04 0.18 120.40 125.58 1yji s VAL 101 Ca 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1yji s VAL 101 Cb -0.14 -2.40 0.17 0.00 0.00 0.00 0.00 36.38 34.01 1yji s VAL 101 CO 0.01 0.49 1.20 -2.16 0.00 0.00 0.00 175.10 174.65 1yji s PRO 102 N 0.75 1.02 0.27 2.72 0.04 -1.26 -3.60 135.00 134.93 1yji s PRO 102 Ca -0.04 -0.69 0.24 0.00 0.04 0.00 0.00 61.00 60.55 1yji s PRO 102 Cb -0.15 -2.03 0.34 0.00 0.04 0.00 0.00 34.50 32.71 1yji s PRO 102 CO 0.02 -2.06 1.44 -0.44 0.04 0.00 0.00 177.00 176.00 1yji h ASP 103 N -1.23 0.00 -3.59 6.66 5.19 -1.97 -3.38 116.42 118.10 1yji h ASP 103 Ca -0.41 -0.04 -0.73 0.00 -0.62 0.00 0.00 57.03 55.22 1yji h ASP 103 Cb 1.25 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.43 1yji h ASP 103 CO 0.38 0.02 -0.01 -0.13 -3.12 0.00 0.00 179.24 176.38 1yji s ARG 104 N -3.22 3.37 0.03 3.56 1.81 -1.26 -4.84 118.95 118.40 1yji s ARG 104 Ca 0.06 -3.05 0.06 0.00 -1.72 0.00 0.00 55.73 51.08 1yji s ARG 104 Cb 0.09 -4.09 -0.24 0.00 -0.45 0.00 0.00 34.95 30.27 1yji s ARG 104 CO 0.70 -1.25 0.95 -0.56 -0.68 0.00 0.00 175.30 174.46 1yji h GLN 105 N 6.51 0.07 0.00 3.54 -0.00 -1.86 -3.40 115.11 119.97 1yji h GLN 105 Ca 0.13 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1yji h GLN 105 Cb 0.87 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 1yji h GLN 105 CO 0.85 0.86 0.00 1.87 -0.00 0.00 0.00 178.83 182.41