#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 3.42 -0.36 4.33 -0.14 -1.26 -1.62 119.74 124.13 1yji s LYS 2 Ca 0.00 0.62 -0.09 0.00 -1.36 0.00 0.00 55.97 55.14 1yji s LYS 2 Cb 0.00 -4.07 0.03 0.00 -1.68 0.00 0.00 37.83 32.11 1yji s LYS 2 CO 0.00 -1.77 0.16 0.08 -0.76 0.00 0.00 175.35 173.05 1yji s VAL 3 N 5.72 4.17 -0.72 3.17 1.01 -1.04 0.16 120.40 132.87 1yji s VAL 3 Ca 0.55 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1yji s VAL 3 Cb -0.11 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.09 1yji s VAL 3 CO 0.28 -0.21 0.70 -0.69 0.00 0.00 0.00 175.10 175.18 1yji s VAL 4 N 1.47 5.35 -0.21 2.92 1.01 0.21 -0.59 120.40 130.57 1yji s VAL 4 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 1yji s VAL 4 Cb -0.19 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1yji s VAL 4 CO 0.05 -1.02 1.70 -0.31 0.00 0.00 0.00 175.10 175.52 1yji s TYR 5 N 1.02 1.95 -0.39 5.22 2.02 -0.22 -1.33 117.35 125.62 1yji s TYR 5 Ca 0.13 0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 57.15 1yji s TYR 5 Cb -0.17 -4.01 0.01 0.00 -0.40 0.00 0.00 41.96 37.39 1yji s TYR 5 CO -0.04 -3.24 0.33 0.08 -1.57 0.00 0.00 175.55 171.11 1yji s VAL 6 N 5.49 5.21 0.00 0.71 1.01 0.55 -2.29 120.40 131.08 1yji s VAL 6 Ca 0.76 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1yji s VAL 6 Cb -0.27 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1yji s VAL 6 CO 0.31 -0.24 0.00 -1.54 0.00 0.00 0.00 175.10 173.63 1yji n SER 7 N 5.29 -0.01 -0.10 3.32 3.41 -0.03 -0.90 113.62 124.61 1yji n SER 7 Ca -0.10 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.31 1yji n SER 7 Cb 0.48 0.00 -0.11 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 -0.37 0.00 0.00 7.33 2.07 -1.86 -3.33 115.15 118.99 1yji h HIS 8 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1yji h HIS 8 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1yji h HIS 8 CO 0.00 1.31 0.00 -0.40 -3.07 0.00 0.00 177.93 175.77 1yji n ASP 9 N -4.47 0.00 0.00 3.10 5.68 -1.26 -4.72 116.55 114.88 1yji n ASP 9 Ca -0.28 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 1yji n ASP 9 Cb 0.62 0.00 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 -0.44 0.74 3.71 6.12 0.00 -1.25 -5.02 105.19 109.04 1yji n GLY 10 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.52 2.47 0.25 2.61 2.01 -1.26 -4.69 115.64 114.51 1yji s THR 11 Ca 0.00 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.29 1yji s THR 11 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1yji s THR 11 CO 0.00 0.01 0.11 -0.13 -0.69 0.00 0.00 174.62 173.92 1yji s ARG 12 N 1.79 2.67 -0.20 4.92 3.00 -1.26 -0.85 118.95 129.02 1yji s ARG 12 Ca 0.75 -1.18 -0.05 0.00 0.00 0.00 0.00 55.73 55.25 1yji s ARG 12 Cb -0.46 -2.41 0.10 0.00 0.00 0.00 0.00 34.95 32.18 1yji s ARG 12 CO 0.33 0.39 0.35 1.03 0.00 0.00 0.00 175.30 177.41 1yji s ARG 13 N -3.71 0.28 -0.21 3.54 0.52 -0.97 -4.95 118.95 113.45 1yji s ARG 13 Ca 0.32 0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 1yji s ARG 13 Cb -0.07 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1yji s ARG 13 CO 0.23 -0.43 0.24 -1.21 0.02 0.00 0.00 175.30 174.15 1yji s GLU 14 N 2.52 4.15 0.30 3.54 2.02 -1.26 -1.06 118.70 128.93 1yji s GLU 14 Ca 0.05 -0.07 0.02 0.00 0.02 0.00 0.00 54.97 54.99 1yji s GLU 14 Cb -0.13 -3.50 0.02 0.00 0.10 0.00 0.00 34.13 30.62 1yji s GLU 14 CO -0.13 0.11 0.18 -0.11 0.02 0.00 0.00 175.26 175.34 1yji n LEU 15 N 4.06 0.00 -3.62 1.80 -0.00 0.24 -4.87 117.00 114.61 1yji n LEU 15 Ca -0.13 -1.64 -0.29 0.00 -0.00 0.00 0.00 56.01 53.95 1yji n LEU 15 Cb 0.52 0.02 -0.15 0.00 -0.00 0.00 0.00 43.42 43.81 1yji n LEU 15 CO 0.38 -0.40 -0.33 -0.62 -0.00 0.00 0.00 177.39 176.41 1yji s ASP 16 N -2.76 3.55 -0.24 1.96 -1.08 -1.23 -2.49 116.67 114.38 1yji s ASP 16 Ca 0.14 -1.31 -0.05 0.00 -0.52 0.00 0.00 52.55 50.81 1yji s ASP 16 Cb -0.01 -0.52 -0.01 0.00 -1.46 0.00 0.00 42.92 40.92 1yji s ASP 16 CO 0.09 -0.41 0.01 -0.69 0.52 0.00 0.00 175.17 174.68 1yji s VAL 17 N 1.93 3.74 1.15 1.11 1.01 -0.64 -4.59 120.40 124.12 1yji s VAL 17 Ca 0.08 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1yji s VAL 17 Cb -0.16 -2.76 0.26 0.00 0.00 0.00 0.00 36.38 33.72 1yji s VAL 17 CO -0.29 0.34 1.12 0.00 0.00 0.00 0.00 175.10 176.27 1yji s ALA 18 N 1.52 0.78 0.29 5.51 0.00 -1.26 0.18 121.76 128.78 1yji s ALA 18 Ca 0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1yji s ALA 18 Cb -0.15 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1yji s ALA 18 CO -0.00 -3.37 1.39 0.16 0.00 0.00 0.00 175.76 173.94 1yji s ASP 19 N -3.89 6.68 0.00 0.00 -4.77 -1.25 -2.34 116.67 111.09 1yji s ASP 19 Ca 0.70 2.70 0.00 0.00 -3.30 0.00 0.00 52.55 52.65 1yji s ASP 19 Cb -0.11 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1yji s ASP 19 CO 0.56 -0.65 0.00 0.61 0.70 0.00 0.00 175.17 176.39 1yji n GLY 20 N 1.59 2.92 3.75 2.12 0.00 -1.02 -4.97 105.19 109.59 1yji n GLY 20 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.75 3.84 0.05 1.61 1.01 -0.99 -4.76 120.40 119.41 1yji s VAL 21 Ca 0.00 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.71 1yji s VAL 21 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1yji s VAL 21 CO 0.00 0.44 0.39 -0.94 0.00 0.00 0.00 175.10 174.99 1yji s SER 22 N -1.01 6.67 0.40 3.32 1.04 -1.25 -1.27 113.70 121.59 1yji s SER 22 Ca 0.43 0.82 0.22 0.00 0.48 0.00 0.00 55.95 57.89 1yji s SER 22 Cb -0.28 -2.19 1.22 0.00 0.10 0.00 0.00 66.02 64.86 1yji s SER 22 CO 0.36 0.22 1.69 -0.07 0.98 0.00 0.00 173.24 176.41 1yji h LEU 23 N 4.00 0.39 -1.69 2.42 3.38 -1.70 1.59 115.31 123.70 1yji h LEU 23 Ca -0.50 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1yji h LEU 23 Cb 1.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1yji h LEU 23 CO 0.65 -0.07 -0.18 -0.03 0.09 0.00 0.00 178.44 178.90 1yji h MET 24 N 0.27 0.00 0.16 1.13 4.05 -1.88 -0.90 114.93 117.76 1yji h MET 24 Ca 0.71 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.12 1yji h MET 24 Cb 1.93 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.73 1yji h MET 24 CO -0.42 0.18 -0.08 1.96 0.23 0.00 0.00 176.91 178.79 1yji h GLN 25 N 0.00 -0.21 -0.00 0.39 1.08 0.20 -3.25 115.11 113.32 1yji h GLN 25 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1yji h GLN 25 Cb 0.42 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1yji h GLN 25 CO 0.02 -0.14 0.00 0.00 -0.95 0.00 0.00 178.83 177.77 1yji h ALA 26 N -1.38 1.65 0.00 3.87 0.00 -1.53 0.38 119.26 122.26 1yji h ALA 26 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yji h ALA 26 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1yji h ALA 26 CO 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 1yji h ALA 27 N 2.00 1.02 0.00 0.00 0.00 -1.24 -1.46 119.26 119.58 1yji h ALA 27 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1yji h ALA 27 Cb 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yji h ALA 27 CO -0.00 0.01 -1.11 0.28 0.00 0.00 0.00 179.25 178.43 1yji h VAL 28 N 0.00 0.66 0.00 0.00 2.07 -0.94 1.64 116.25 119.67 1yji h VAL 28 Ca -0.00 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 65.34 1yji h VAL 28 Cb 0.23 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1yji h VAL 28 CO 0.00 0.38 -0.30 -1.28 0.02 0.00 0.00 177.57 176.39 1yji h SER 29 N 0.00 0.00 -0.02 0.57 0.87 -1.22 -2.65 113.55 111.10 1yji h SER 29 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1yji h SER 29 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1yji h SER 29 CO 0.06 0.30 -0.01 0.59 -0.53 0.00 0.00 176.83 177.23 1yji n ASN 30 N -3.40 2.25 -2.70 6.23 4.13 -1.11 -5.01 115.26 115.65 1yji n ASN 30 Ca 0.00 -1.62 -0.00 0.00 1.68 0.00 0.00 54.58 54.64 1yji n ASN 30 Cb 0.49 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1yji n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yji n GLY 31 N 0.86 -1.01 0.00 7.41 0.00 -0.75 -4.99 105.19 106.71 1yji n GLY 31 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.62 0.00 1.09 -0.61 5.41 0.55 -4.69 119.36 119.49 1yji n ILE 32 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 1yji n ILE 32 Cb 0.50 -0.49 0.28 0.00 -0.71 0.00 0.00 39.64 39.23 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 -2.19 0.32 -0.90 1.39 4.02 -1.16 -4.86 117.16 113.78 1yji n TYR 33 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1yji n TYR 33 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 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 0.38 -1.29 0.00 7.72 5.75 -1.26 -3.84 116.55 124.02 1yji n ASP 34 Ca 0.14 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1yji n ASP 34 Cb 0.31 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 3.54 0.00 -2.53 2.12 0.13 -1.26 -5.11 119.36 116.25 1yji n ILE 35 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.62 1yji n ILE 35 Cb 0.32 0.73 -0.02 0.00 -0.84 0.00 0.00 39.64 39.83 1yji n ILE 35 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1yji n VAL 36 N 0.00-10.88 -2.17 9.51 0.31 -1.25 -4.89 118.33 108.96 1yji n VAL 36 Ca 0.00 2.43 -0.34 0.00 -0.01 0.00 0.00 64.34 66.42 1yji n VAL 36 Cb 0.37 -5.59 0.01 0.00 -0.91 0.00 0.00 33.84 27.72 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 -0.52 2.48 -0.07 2.92 0.00 -1.26 -4.99 107.32 105.88 1yji s GLY 37 Ca -0.14 0.71 -0.00 0.00 0.00 0.00 0.00 44.72 45.28 1yji s GLY 37 CO 0.38 1.06 -0.01 -0.55 0.00 0.00 0.00 173.10 173.98 1yji h ASP 38 N 0.94 0.00 0.00 1.64 5.19 -1.96 -3.28 116.42 118.95 1yji h ASP 38 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1yji h ASP 38 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1yji h ASP 38 CO 0.57 0.35 0.00 0.00 -3.12 0.00 0.00 179.24 177.03 1yji n GLY 40 N 0.17 0.46 1.05 0.00 0.00 -1.24 0.16 105.19 105.80 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 0.41 0.82 2.05 -0.02 0.00 -1.26 -4.96 105.19 102.23 1yji n GLY 41 Ca -0.05 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 1.05 6.36 -3.57 1.61 2.88 0.41 -4.48 113.62 117.88 1yji n SER 42 Ca 0.00 -3.34 -0.23 0.00 -1.33 0.00 0.00 58.87 53.97 1yji n SER 42 Cb 0.08 -0.97 0.01 0.00 -0.75 0.00 0.00 64.21 62.58 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 -0.31 -2.67 -1.81 -1.46 0.00 -1.26 -4.89 120.51 108.11 1yji n ALA 43 Ca 0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.82 1yji n ALA 43 Cb 0.75 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.88 -0.53 -3.45 0.00 3.41 -1.26 -4.98 113.62 104.93 1yji n SER 44 Ca -0.20 -1.22 -0.11 0.00 -0.26 0.00 0.00 58.87 57.08 1yji n SER 44 Cb 0.65 0.16 -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 -0.29 2.67 -0.32 0.00 0.00 -1.26 -4.36 120.51 116.95 1yji n ALA 46 Ca -0.14 -1.13 0.03 0.00 0.00 0.00 0.00 53.44 52.20 1yji n ALA 46 Cb 0.64 -0.99 0.22 0.00 0.00 0.00 0.00 19.45 19.32 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 3.36 1.09 -1.86 0.00 2.02 -1.79 -2.47 112.91 113.26 1yji h THR 47 Ca 0.00 -0.37 -0.74 0.00 0.77 0.00 0.00 66.41 66.07 1yji h THR 47 Cb 0.98 -0.09 -0.24 0.00 -1.74 0.00 0.00 68.15 67.05 1yji h THR 47 CO 0.09 0.20 1.10 0.00 0.37 0.00 0.00 175.52 177.27 1yji s HIS 49 N -3.54 2.49 0.18 0.00 5.04 -0.93 -1.74 115.29 116.79 1yji s HIS 49 Ca 0.49 0.69 -0.08 0.00 -1.54 0.00 0.00 55.06 54.63 1yji s HIS 49 Cb 0.33 -4.30 -0.02 0.00 0.04 0.00 0.00 32.58 28.63 1yji s HIS 49 CO -0.27 -1.84 0.28 0.14 -2.34 0.00 0.00 174.74 170.71 1yji s VAL 50 N 5.20 0.05 -0.24 0.89 -7.23 -1.23 -4.52 120.40 113.31 1yji s VAL 50 Ca 0.59 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1yji s VAL 50 Cb -0.13 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.80 1yji s VAL 50 CO 0.32 -0.21 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.52 1yji s TYR 51 N -4.02 3.05 -0.10 2.82 2.02 0.32 -3.47 117.35 117.98 1yji s TYR 51 Ca 0.22 -1.60 -0.21 0.00 -0.37 0.00 0.00 57.07 55.12 1yji s TYR 51 Cb 0.03 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1yji s TYR 51 CO 0.04 -0.74 0.58 0.08 -1.57 0.00 0.00 175.55 173.94 1yji s VAL 52 N 1.31 5.12 0.08 0.71 1.01 -1.26 0.27 120.40 127.64 1yji s VAL 52 Ca 0.00 1.17 -0.37 0.00 0.00 0.00 0.00 61.98 62.79 1yji s VAL 52 Cb -0.16 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 1yji s VAL 52 CO -0.05 0.28 1.23 -3.20 0.00 0.00 0.00 175.10 173.35 1yji n ASN 53 N 3.82 1.14 0.00 3.32 5.15 -0.25 -4.68 115.26 123.77 1yji n ASN 53 Ca -0.04 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 1yji n ASN 53 Cb 0.51 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 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 2.12 0.00 0.00 1.20 0.28 -1.26 -1.36 120.64 121.62 1yji n GLU 54 Ca 0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 1yji n GLU 54 Cb 0.18 -1.09 -0.12 0.00 1.43 0.00 0.00 31.44 31.84 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 -0.52 2.32 0.44 -1.84 0.00 -1.26 -4.26 120.51 115.38 1yji n ALA 55 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 53.44 52.86 1yji n ALA 55 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.57 0.00 -0.08 0.00 3.01 -0.46 -4.51 117.46 112.86 1yji n PHE 56 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 1yji n PHE 56 Cb 0.74 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.15 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 0.68 1.31 -0.01 4.37 1.35 -1.71 0.11 112.91 119.00 1yji h THR 57 Ca 0.00 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1yji h THR 57 Cb 0.29 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1yji h THR 57 CO 0.00 0.51 0.00 -0.90 -0.25 0.00 0.00 175.52 174.88 1yji n ASP 58 N -4.19 0.43 -0.06 5.36 5.75 -1.26 -3.68 116.55 118.89 1yji n ASP 58 Ca -0.05 -1.22 -0.08 0.00 -0.01 0.00 0.00 54.79 53.43 1yji n ASP 58 Cb 0.54 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.63 0.58 -2.50 0.11 5.02 -1.08 -5.00 118.16 114.67 1yji n LYS 59 Ca 0.21 0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 1yji n LYS 59 Cb 0.17 -1.26 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.26 4.80 -0.28 -0.18 0.11 0.38 -4.93 120.40 118.04 1yji s VAL 60 Ca -0.16 0.55 -0.33 0.00 -2.93 0.00 0.00 61.98 59.11 1yji s VAL 60 Cb 0.04 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.98 1yji s VAL 60 CO 0.32 -0.82 2.17 -0.81 -3.33 0.00 0.00 175.10 172.63 1yji n PRO 61 N -2.07 1.49 -2.39 1.54 -0.04 -1.26 -4.84 135.00 127.43 1yji n PRO 61 Ca 0.03 0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 63.48 1yji n PRO 61 Cb 0.54 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.23 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 7.38 3.22 0.45 0.55 0.00 -1.26 -4.96 121.76 127.13 1yji s ALA 62 Ca 1.05 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1yji s ALA 62 Cb -0.66 -3.85 -0.10 0.00 0.00 0.00 0.00 23.12 18.51 1yji s ALA 62 CO 0.44 -2.05 1.05 0.00 0.00 0.00 0.00 175.76 175.20 1yji n ALA 63 N 8.16 0.39 -1.00 0.00 0.00 -1.26 -4.99 120.51 121.81 1yji n ALA 63 Ca 0.16 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1yji n ALA 63 Cb 0.47 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 0.28 -1.05 0.00 0.00 0.23 -1.26 -4.84 115.26 108.61 1yji n ASN 64 Ca 0.09 -0.25 0.07 0.00 -0.53 0.00 0.00 54.58 53.97 1yji n ASN 64 Cb 0.40 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.45 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 -1.30 0.16 -0.13 -3.83 0.28 -1.26 -3.22 120.64 111.34 1yji n GLU 65 Ca 0.00 0.18 -0.10 0.00 -0.16 0.00 0.00 57.16 57.08 1yji n GLU 65 Cb 0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 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 0.61 -0.10 3.44 3.08 -2.02 -3.05 114.38 116.35 1yji h ARG 66 Ca 0.00 -0.16 -0.24 0.00 0.07 0.00 0.00 59.98 59.65 1yji h ARG 66 Cb 0.16 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1yji h ARG 66 CO 0.00 0.67 -0.86 0.93 -1.07 0.00 0.00 179.97 179.63 1yji h GLU 67 N 0.46 0.74 -0.64 0.04 3.07 -1.88 -3.06 114.58 113.31 1yji h GLU 67 Ca 0.11 -0.66 0.19 0.00 -0.50 0.00 0.00 59.36 58.50 1yji h GLU 67 Cb 0.35 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1yji h GLU 67 CO 0.01 1.26 0.74 0.82 -1.40 0.00 0.00 179.01 180.44 1yji h ILE 68 N 0.48 0.21 0.22 3.13 2.04 -1.61 0.69 117.51 122.67 1yji h ILE 68 Ca -0.08 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.46 1yji h ILE 68 Cb 1.50 0.40 0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1yji h ILE 68 CO 0.17 0.00 -1.52 1.23 0.00 0.00 0.00 178.15 178.03 1yji h GLY 69 N 0.00 0.52 1.61 5.37 0.00 -1.46 -2.78 103.07 106.34 1yji h GLY 69 Ca 0.30 -1.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.14 1yji h GLY 69 CO -0.00 1.17 -0.62 -0.33 0.00 0.00 0.00 176.54 176.76 1yji h MET 70 N 0.06 0.39 0.00 4.80 2.86 -0.39 -2.43 114.93 120.22 1yji h MET 70 Ca -0.28 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.05 1yji h MET 70 Cb 2.08 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.78 1yji h MET 70 CO 0.22 0.89 -0.15 -0.07 1.06 0.00 0.00 176.91 178.85 1yji h LEU 71 N 0.29 0.00 0.00 1.22 3.38 0.08 0.18 115.31 120.47 1yji h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yji h LEU 71 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1yji h LEU 71 CO 0.11 0.15 0.00 1.21 0.09 0.00 0.00 178.44 180.00 1yji n GLU 72 N -4.03 0.96 -0.54 1.13 2.13 -0.92 -3.26 120.64 116.12 1yji n GLU 72 Ca -0.02 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.86 1yji n GLU 72 Cb 0.24 -1.36 0.19 0.00 0.27 0.00 0.00 31.44 30.78 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 -3.04 2.91 -1.13 0.00 -7.23 -1.20 -4.97 120.40 105.75 1yji s VAL 74 Ca 0.36 -0.79 0.15 0.00 -1.81 0.00 0.00 61.98 59.90 1yji s VAL 74 Cb 0.35 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 1yji s VAL 74 CO -0.06 -0.02 0.75 0.41 -0.31 0.00 0.00 175.10 175.87 1yji n THR 75 N -2.13 0.00 -3.54 5.32 -1.04 -1.26 -5.01 114.28 106.62 1yji n THR 75 Ca 0.07 -0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 61.59 1yji n THR 75 Cb 0.59 1.11 -0.00 0.00 -1.82 0.00 0.00 70.33 70.21 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 -2.05 4.35 -0.45 2.41 0.00 -1.26 -5.01 121.76 119.74 1yji s ALA 76 Ca 0.10 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1yji s ALA 76 Cb 0.12 -1.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 1yji s ALA 76 CO 0.47 -0.43 2.36 -1.91 0.00 0.00 0.00 175.76 176.25 1yji n GLU 77 N -1.78 1.16 -2.27 0.00 2.13 -1.26 -4.92 120.64 113.70 1yji n GLU 77 Ca 0.04 0.18 -0.35 0.00 0.66 0.00 0.00 57.16 57.69 1yji n GLU 77 Cb 0.62 -3.00 -0.00 0.00 0.27 0.00 0.00 31.44 29.33 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 10.02 3.79 0.22 4.31 2.96 -1.26 -5.03 118.68 133.69 1yji s LEU 78 Ca 1.05 2.19 0.10 0.00 -0.22 0.00 0.00 54.13 57.24 1yji s LEU 78 Cb -0.46 -4.53 -0.04 0.00 0.50 0.00 0.00 46.19 41.66 1yji s LEU 78 CO 0.35 -1.15 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.59 1yji s LYS 79 N -3.19 2.02 0.65 1.98 -0.14 -1.26 -4.98 119.74 114.82 1yji s LYS 79 Ca 0.71 -1.40 0.36 0.00 -1.36 0.00 0.00 55.97 54.28 1yji s LYS 79 Cb -0.24 -2.08 1.97 0.00 -1.68 0.00 0.00 37.83 35.80 1yji s LYS 79 CO 0.28 0.40 2.15 -1.00 -0.76 0.00 0.00 175.35 176.42 1yji h PRO 80 N 2.59 0.00 0.00 -1.68 0.13 -2.01 -0.77 132.00 130.26 1yji h PRO 80 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1yji h PRO 80 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1yji h PRO 80 CO 0.56 0.00 -0.41 0.27 -0.23 0.00 0.00 178.00 178.19 1yji n ASN 81 N -3.21 1.81 -4.60 1.44 0.23 -1.26 -5.07 115.26 104.60 1yji n ASN 81 Ca -0.02 -3.73 -0.33 0.00 -0.53 0.00 0.00 54.58 49.98 1yji n ASN 81 Cb 0.24 -0.51 0.14 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 -1.15 -0.13 -3.53 0.53 7.64 -0.30 -4.47 113.62 112.21 1yji n SER 82 Ca 0.18 0.46 -0.07 0.00 1.01 0.00 0.00 58.87 60.45 1yji n SER 82 Cb 0.69 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 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 -4.12 0.67 -0.16 1.43 0.52 -1.23 -4.99 118.95 111.07 1yji s ARG 83 Ca 0.66 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 1yji s ARG 83 Cb -0.25 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 1yji s ARG 83 CO 0.58 -0.29 0.84 -0.51 0.02 0.00 0.00 175.30 175.94 1yji s LEU 84 N -2.34 4.18 0.40 2.53 2.01 -1.26 -3.49 118.68 120.71 1yji s LEU 84 Ca 0.06 1.19 0.28 0.00 0.01 0.00 0.00 54.13 55.67 1yji s LEU 84 Cb -0.01 -3.25 1.40 0.00 0.01 0.00 0.00 46.19 44.34 1yji s LEU 84 CO -0.07 -0.40 1.86 0.00 1.01 0.00 0.00 176.35 178.75 1yji n GLN 87 N -3.99 0.78 -4.31 0.00 -0.00 -1.18 -4.77 117.38 103.90 1yji n GLN 87 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.54 1yji n GLN 87 Cb 0.90 -1.12 -0.11 0.00 -0.00 0.00 0.00 30.24 29.91 1yji n GLN 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1yji s ILE 88 N 0.17 2.90 -0.07 -0.39 1.01 -1.24 -4.90 121.20 118.67 1yji s ILE 88 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 60.65 59.08 1yji s ILE 88 Cb 0.00 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1yji s ILE 88 CO 0.00 0.03 -0.07 -0.63 0.00 0.00 0.00 174.94 174.27 1yji s ILE 89 N -1.33 0.83 0.51 2.92 1.09 -1.26 -3.93 121.20 120.04 1yji s ILE 89 Ca 0.20 -0.24 -0.05 0.00 -1.10 0.00 0.00 60.65 59.46 1yji s ILE 89 Cb -0.10 -0.84 -0.02 0.00 -1.06 0.00 0.00 42.46 40.44 1yji s ILE 89 CO 0.11 0.31 0.81 -0.32 -0.10 0.00 0.00 174.94 175.75 1yji s MET 90 N 1.23 3.31 -0.03 2.79 1.75 -0.40 -4.83 119.30 123.11 1yji s MET 90 Ca -0.05 0.08 -0.18 0.00 -1.25 0.00 0.00 55.69 54.28 1yji s MET 90 Cb -0.14 -2.36 0.03 0.00 2.84 0.00 0.00 34.83 35.21 1yji s MET 90 CO -0.02 -0.36 0.40 0.95 -0.65 0.00 0.00 175.02 175.34 1yji s THR 91 N -2.80 0.04 0.30 10.11 -4.23 -1.26 -2.44 115.64 115.36 1yji s THR 91 Ca 0.49 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1yji s THR 91 Cb -0.10 -0.70 0.29 0.00 1.34 0.00 0.00 72.50 73.33 1yji s THR 91 CO 0.44 -0.18 1.85 1.55 -0.54 0.00 0.00 174.62 177.73 1yji h PRO 92 N 3.78 0.90 0.00 3.99 0.13 -1.90 0.15 132.00 139.05 1yji h PRO 92 Ca -0.29 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1yji h PRO 92 Cb 1.17 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1yji h PRO 92 CO 0.39 0.60 -0.08 1.05 -0.23 0.00 0.00 178.00 179.72 1yji h GLU 93 N 0.93 0.00 -0.55 0.86 4.11 -2.00 -1.00 114.58 116.93 1yji h GLU 93 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1yji h GLU 93 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1yji h GLU 93 CO -0.25 0.08 0.00 1.28 0.07 0.00 0.00 179.01 180.20 1yji n LEU 94 N -3.60 5.31 -4.78 3.06 4.77 0.49 -4.98 117.00 117.27 1yji n LEU 94 Ca -0.02 -2.85 -0.41 0.00 -0.03 0.00 0.00 56.01 52.70 1yji n LEU 94 Cb 0.20 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1yji n LEU 94 CO 0.29 0.67 1.12 1.51 -1.33 0.00 0.00 177.39 179.65 1yji s ASP 95 N -0.97 6.41 0.00 -1.43 -4.77 -0.38 -3.30 116.67 112.23 1yji s ASP 95 Ca 0.52 2.99 0.00 0.00 -3.30 0.00 0.00 52.55 52.76 1yji s ASP 95 Cb 0.39 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 1yji s ASP 95 CO 0.17 -0.83 0.00 0.61 0.70 0.00 0.00 175.17 175.82 1yji n GLY 96 N 0.67 1.05 3.76 2.12 0.00 0.12 -4.66 105.19 108.26 1yji n GLY 96 Ca 0.01 0.00 -0.41 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 2.63 -0.27 -0.61 -1.16 -0.13 -4.78 121.20 114.88 1yji s ILE 97 Ca 0.00 0.60 -0.08 0.00 -0.51 0.00 0.00 60.65 60.66 1yji s ILE 97 Cb 0.00 -3.38 -0.01 0.00 0.61 0.00 0.00 42.46 39.67 1yji s ILE 97 CO 0.00 0.13 0.09 -0.69 -2.81 0.00 0.00 174.94 171.65 1yji s VAL 98 N -0.77 4.26 -0.13 4.00 1.01 -1.26 -0.62 120.40 126.88 1yji s VAL 98 Ca 0.53 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1yji s VAL 98 Cb -0.41 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1yji s VAL 98 CO 0.51 0.22 0.08 -0.69 0.00 0.00 0.00 175.10 175.22 1yji s VAL 99 N 1.58 5.01 -0.30 2.92 1.01 -0.44 -1.09 120.40 129.10 1yji s VAL 99 Ca 0.05 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1yji s VAL 99 Cb -0.16 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1yji s VAL 99 CO 0.04 0.57 0.08 -1.81 0.00 0.00 0.00 175.10 173.98 1yji s ASP 100 N -0.56 5.15 -0.23 3.32 1.01 0.76 0.21 116.67 126.32 1yji s ASP 100 Ca 0.11 -0.71 -0.09 0.00 0.71 0.00 0.00 52.55 52.58 1yji s ASP 100 Cb -0.12 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1yji s ASP 100 CO 0.02 -0.19 0.11 -0.69 0.21 0.00 0.00 175.17 174.63 1yji s VAL 101 N 1.50 4.95 0.77 -1.27 1.01 -0.07 0.12 120.40 127.41 1yji s VAL 101 Ca 0.03 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1yji s VAL 101 Cb -0.17 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1yji s VAL 101 CO 0.03 0.37 1.12 -2.16 0.00 0.00 0.00 175.10 174.45 1yji s PRO 102 N 1.06 2.09 0.27 2.72 0.04 -1.26 -3.62 135.00 136.31 1yji s PRO 102 Ca 0.06 0.02 0.25 0.00 0.04 0.00 0.00 61.00 61.37 1yji s PRO 102 Cb -0.14 -2.02 0.88 0.00 0.04 0.00 0.00 34.50 33.26 1yji s PRO 102 CO 0.04 -1.45 1.75 0.22 0.04 0.00 0.00 177.00 177.61 1yji h ASP 103 N -0.89 0.00 -3.97 6.66 1.82 -1.97 -3.38 116.42 114.69 1yji h ASP 103 Ca -0.45 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 55.55 1yji h ASP 103 Cb 1.32 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.93 1yji h ASP 103 CO 0.64 0.00 -0.68 -0.13 -1.61 0.00 0.00 179.24 177.46 1yji s ARG 104 N -3.23 1.65 0.27 0.28 0.52 -1.26 -4.93 118.95 112.25 1yji s ARG 104 Ca 0.07 -2.22 0.24 0.00 -0.52 0.00 0.00 55.73 53.30 1yji s ARG 104 Cb 0.10 -3.05 0.51 0.00 0.52 0.00 0.00 34.95 33.04 1yji s ARG 104 CO 0.52 -1.06 1.58 0.37 0.02 0.00 0.00 175.30 176.73 1yji h GLN 105 N 6.94 0.00 0.00 3.54 4.15 -1.87 -3.39 115.11 124.49 1yji h GLN 105 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1yji h GLN 105 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1yji h GLN 105 CO 0.60 0.00 0.00 1.87 -1.93 0.00 0.00 178.83 179.37