#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hji s ALA 2 N 0.00 -1.18 -0.03 -1.46 0.00 -1.26 -4.75 121.76 113.08 2hji s ALA 2 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2hji s ALA 2 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.14 2hji s ALA 2 CO 0.00 -0.30 -0.01 -1.17 0.00 0.00 0.00 175.76 174.28 2hji s LEU 3 N -1.19 1.28 -0.02 0.00 2.96 -1.24 -2.08 118.68 118.39 2hji s LEU 3 Ca -0.12 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2hji s LEU 3 Cb -0.03 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 2hji s LEU 3 CO 0.06 -0.08 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.03 2hji s THR 4 N 0.88 0.74 -0.13 3.68 2.01 -0.45 -3.52 115.64 118.85 2hji s THR 4 Ca -0.09 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 2hji s THR 4 Cb -0.12 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 71.80 2hji s THR 4 CO -0.01 0.22 0.13 -0.63 -0.69 0.00 0.00 174.62 173.64 2hji s ILE 5 N -0.02 -0.19 0.43 1.82 1.01 -1.20 -0.25 121.20 122.80 2hji s ILE 5 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2hji s ILE 5 Cb -0.06 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2hji s ILE 5 CO -0.00 -0.06 0.21 0.72 0.00 0.00 0.00 174.94 175.81 2hji s PHE 6 N 2.23 2.45 0.46 3.97 -0.71 -1.23 -3.34 117.98 121.81 2hji s PHE 6 Ca 0.04 -0.63 -0.16 0.00 -1.04 0.00 0.00 56.93 55.13 2hji s PHE 6 Cb -0.14 -1.95 -0.08 0.00 -1.21 0.00 0.00 43.02 39.64 2hji s PHE 6 CO -0.08 0.09 0.91 0.45 -1.34 0.00 0.00 175.22 175.26 2hji s SER 7 N -3.96 6.69 0.57 1.98 0.15 -1.17 -3.30 113.70 114.66 2hji s SER 7 Ca 0.38 1.49 0.39 0.00 0.70 0.00 0.00 55.95 58.91 2hji s SER 7 Cb 0.03 -2.47 2.08 0.00 -1.71 0.00 0.00 66.02 63.94 2hji s SER 7 CO 0.22 -0.47 2.18 -0.37 1.20 0.00 0.00 173.24 176.00 2hji h VAL 8 N 1.26 0.00 0.01 4.45 -1.51 -1.84 -2.04 116.25 116.58 2hji h VAL 8 Ca -0.47 -0.02 -0.35 0.00 -1.23 0.00 0.00 66.70 64.62 2hji h VAL 8 Cb 1.18 0.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.17 2hji h VAL 8 CO 0.62 0.00 -2.20 1.17 -1.23 0.00 0.00 177.57 175.93 2hji n LYS 9 N -2.87 0.68 -3.82 5.19 4.81 -1.26 -4.72 118.16 116.17 2hji n LYS 9 Ca -0.02 0.13 -0.33 0.00 -0.87 0.00 0.00 58.31 57.22 2hji n LYS 9 Cb 0.07 -1.61 -0.11 0.00 0.02 0.00 0.00 35.03 33.40 2hji n LYS 9 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hji s ASP 10 N -6.01 4.99 0.00 3.14 1.11 -0.77 -4.89 116.67 114.24 2hji s ASP 10 Ca -0.15 -3.28 0.26 0.00 0.18 0.00 0.00 52.55 49.56 2hji s ASP 10 Cb 0.07 -1.75 0.71 0.00 1.07 0.00 0.00 42.92 43.02 2hji s ASP 10 CO 0.78 -0.23 1.54 -0.81 1.18 0.00 0.00 175.17 177.63 2hji n PRO 11 N 2.83 0.45 0.08 8.23 -0.04 -1.23 -3.01 135.00 142.30 2hji n PRO 11 Ca 0.12 -0.25 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2hji n PRO 11 Cb 0.35 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2hji n PRO 11 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2hji h GLN 12 N 0.60 0.00 -3.80 0.54 4.20 -1.92 -3.44 115.11 111.30 2hji h GLN 12 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2hji h GLN 12 Cb 0.49 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.88 2hji h GLN 12 CO 0.00 0.38 -0.77 1.21 -0.67 0.00 0.00 178.83 178.98 2hji s ASN 13 N -6.06 3.29 0.25 1.46 3.84 -1.25 -5.12 114.94 111.35 2hji s ASN 13 Ca 0.00 -1.00 -0.30 0.00 0.21 0.00 0.00 52.86 51.78 2hji s ASN 13 Cb 0.08 -0.80 -0.09 0.00 -0.55 0.00 0.00 41.25 39.89 2hji s ASN 13 CO 0.78 -0.29 1.06 -0.55 -2.79 0.00 0.00 177.10 175.31 2hji s SER 14 N 1.69 7.36 -0.07 -4.21 0.15 -1.26 -4.67 113.70 112.69 2hji s SER 14 Ca -0.02 2.15 0.06 0.00 0.70 0.00 0.00 55.95 58.84 2hji s SER 14 Cb -0.18 -2.62 0.30 0.00 -1.71 0.00 0.00 66.02 61.81 2hji s SER 14 CO -0.09 -0.08 1.04 0.18 1.20 0.00 0.00 173.24 175.49 2hji n LEU 15 N 1.54 2.45 -3.15 3.45 4.77 -1.21 -4.67 117.00 120.18 2hji n LEU 15 Ca -0.00 -1.24 0.05 0.00 -0.03 0.00 0.00 56.01 54.79 2hji n LEU 15 Cb 0.46 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2hji n LEU 15 CO 0.53 0.39 0.36 0.86 -1.33 0.00 0.00 177.39 178.20 2hji s TRP 16 N -1.66 -1.11 -0.07 -1.77 -0.00 -1.25 -5.06 118.94 108.02 2hji s TRP 16 Ca 0.20 1.16 -0.01 0.00 -0.00 0.00 0.00 56.10 57.46 2hji s TRP 16 Cb 0.14 0.38 0.03 0.00 -0.00 0.00 0.00 33.47 34.02 2hji s TRP 16 CO 0.08 -0.61 -0.01 -1.58 -0.00 0.00 0.00 176.95 174.83 2hji s HIS 17 N 2.90 0.70 -0.25 5.86 2.46 -1.26 -3.24 115.29 122.46 2hji s HIS 17 Ca 0.11 -0.19 -0.21 0.00 0.47 0.00 0.00 55.06 55.24 2hji s HIS 17 Cb -0.13 -0.78 0.07 0.00 -0.13 0.00 0.00 32.58 31.61 2hji s HIS 17 CO -0.17 -0.31 0.65 0.45 -2.47 0.00 0.00 174.74 172.90 2hji s SER 18 N 1.76 -0.72 -0.38 9.88 0.15 -1.23 -5.08 113.70 118.08 2hji s SER 18 Ca 0.02 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.03 2hji s SER 18 Cb -0.13 1.33 0.11 0.00 -1.71 0.00 0.00 66.02 65.63 2hji s SER 18 CO -0.04 -0.23 0.15 0.28 1.20 0.00 0.00 173.24 174.60 2hji s THR 19 N 0.60 1.56 0.04 6.45 -1.32 -1.26 -3.60 115.64 118.11 2hji s THR 19 Ca -0.02 -2.20 0.00 0.00 -1.21 0.00 0.00 61.69 58.26 2hji s THR 19 Cb -0.05 -2.13 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 2hji s THR 19 CO -0.03 -0.74 -0.04 0.21 -2.21 0.00 0.00 174.62 171.81 2hji s ASN 20 N 0.83 0.43 0.09 8.08 3.84 -1.26 -4.99 114.94 121.96 2hji s ASN 20 Ca 0.13 -0.69 -0.31 0.00 0.21 0.00 0.00 52.86 52.20 2hji s ASN 20 Cb -0.21 0.12 -0.15 0.00 -0.55 0.00 0.00 41.25 40.46 2hji s ASN 20 CO -0.10 -0.39 1.62 0.00 -2.79 0.00 0.00 177.10 175.44 2hji h ALA 21 N 4.07 -0.79 0.00 1.71 0.00 -1.98 -0.87 119.26 121.40 2hji h ALA 21 Ca -0.33 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2hji h ALA 21 Cb 1.18 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2hji h ALA 21 CO 0.50 -0.97 -0.41 0.93 0.00 0.00 0.00 179.25 179.31 2hji h GLU 22 N -0.78 0.00 -0.18 0.00 4.39 -1.99 -2.31 114.58 113.72 2hji h GLU 22 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2hji h GLU 22 Cb 0.65 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2hji h GLU 22 CO 0.02 0.41 0.02 0.93 -1.16 0.00 0.00 179.01 179.23 2hji h GLU 23 N 0.00 0.30 -0.28 2.33 3.07 -1.87 -1.12 114.58 117.00 2hji h GLU 23 Ca -0.00 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 2hji h GLU 23 Cb 0.75 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 2hji h GLU 23 CO 0.05 0.47 -0.30 0.82 -1.40 0.00 0.00 179.01 178.66 2hji h ILE 24 N 0.08 1.28 -0.32 3.13 2.04 -1.09 -2.66 117.51 119.97 2hji h ILE 24 Ca 0.05 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 2hji h ILE 24 Cb 0.32 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2hji h ILE 24 CO 0.00 0.45 0.10 -0.61 0.00 0.00 0.00 178.15 178.09 2hji h GLN 25 N 0.50 0.51 -0.51 2.37 5.75 -1.20 0.82 115.11 123.34 2hji h GLN 25 Ca 0.06 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2hji h GLN 25 Cb 0.76 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2hji h GLN 25 CO 0.06 0.55 0.24 0.37 -2.65 0.00 0.00 178.83 177.40 2hji h GLN 26 N 0.37 0.75 -0.34 1.69 4.15 -1.13 -0.27 115.11 120.33 2hji h GLN 26 Ca 0.10 -0.12 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 2hji h GLN 26 Cb 0.25 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2hji h GLN 26 CO -0.00 0.63 -0.25 1.96 -1.93 0.00 0.00 178.83 179.24 2hji h GLN 27 N 0.69 0.76 -0.48 1.69 4.20 -1.33 -0.85 115.11 119.78 2hji h GLN 27 Ca 0.18 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 2hji h GLN 27 Cb 0.14 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2hji h GLN 27 CO -0.02 0.99 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.03 2hji h LEU 28 N 0.53 0.86 -0.84 1.46 4.07 -0.70 -2.76 115.31 117.93 2hji h LEU 28 Ca 0.06 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.59 2hji h LEU 28 Cb 0.81 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2hji h LEU 28 CO 0.07 0.97 -0.43 0.78 -1.08 0.00 0.00 178.44 178.75 2hji h ASN 29 N 0.73 0.35 0.18 -0.43 -0.26 -0.79 2.12 115.58 117.46 2hji h ASN 29 Ca 0.13 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 2hji h ASN 29 Cb 0.55 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2hji h ASN 29 CO 0.03 0.73 -0.08 0.00 -1.06 0.00 0.00 177.43 177.05 2hji h ALA 30 N 1.28 1.49 -0.19 -0.83 0.00 -0.87 -0.69 119.26 119.46 2hji h ALA 30 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hji h ALA 30 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2hji h ALA 30 CO 0.07 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.05 2hji n LYS 31 N -3.90 2.14 -0.80 0.00 4.76 -0.98 -4.93 118.16 114.44 2hji n LYS 31 Ca -0.02 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.45 2hji n LYS 31 Cb 0.17 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2hji n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hji n GLY 32 N 1.25 0.64 3.59 0.72 0.00 -0.26 -4.73 105.19 106.39 2hji n GLY 32 Ca 0.15 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2hji n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hji s VAL 33 N -2.00 4.95 0.35 1.61 1.01 0.71 -4.08 120.40 122.95 2hji s VAL 33 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2hji s VAL 33 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 2hji s VAL 33 CO 0.00 0.36 0.75 -0.13 0.00 0.00 0.00 175.10 176.08 2hji s ARG 34 N 1.12 3.91 -0.08 2.72 0.52 -1.12 -2.63 118.95 123.39 2hji s ARG 34 Ca 0.06 0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 55.80 2hji s ARG 34 Cb -0.14 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 32.95 2hji s ARG 34 CO 0.04 0.08 0.20 0.12 0.02 0.00 0.00 175.30 175.77 2hji s PHE 35 N -2.14 -0.25 0.17 -0.53 5.36 -1.26 -3.05 117.98 116.29 2hji s PHE 35 Ca 0.53 0.62 -0.16 0.00 -0.96 0.00 0.00 56.93 56.96 2hji s PHE 35 Cb -0.10 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 2hji s PHE 35 CO 0.23 -0.17 0.46 -2.00 -1.46 0.00 0.00 175.22 172.28 2hji s GLU 36 N 0.82 1.26 -0.10 10.12 2.56 -1.25 -5.03 118.70 127.08 2hji s GLU 36 Ca -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 54.97 54.10 2hji s GLU 36 Cb -0.07 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.55 2hji s GLU 36 CO -0.05 -0.51 -0.22 1.03 -0.56 0.00 0.00 175.26 174.95 2hji s ARG 37 N -3.86 2.87 0.28 4.30 0.52 -1.26 -2.38 118.95 119.41 2hji s ARG 37 Ca 0.08 -0.81 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 2hji s ARG 37 Cb 0.00 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 2hji s ARG 37 CO -0.05 0.13 0.26 -1.58 0.02 0.00 0.00 175.30 174.08 2hji s TRP 38 N 0.45 3.10 -0.38 -0.53 0.52 -1.01 -5.06 118.94 116.03 2hji s TRP 38 Ca -0.17 -0.15 -0.15 0.00 0.02 0.00 0.00 56.10 55.65 2hji s TRP 38 Cb -0.17 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 2hji s TRP 38 CO 0.07 0.39 0.31 -1.14 0.02 0.00 0.00 176.95 176.60 2hji s GLN 39 N -3.92 3.23 -1.21 4.98 0.74 -1.26 -4.76 119.66 117.46 2hji s GLN 39 Ca 0.36 -0.79 -0.12 0.00 0.05 0.00 0.00 55.36 54.86 2hji s GLN 39 Cb -0.08 -3.90 0.19 0.00 1.10 0.00 0.00 33.01 30.32 2hji s GLN 39 CO 0.26 -0.63 1.50 0.00 -0.55 0.00 0.00 175.29 175.87 2hji n ALA 40 N 5.23 4.32 1.19 1.58 0.00 -1.26 -4.68 120.51 126.89 2hji n ALA 40 Ca -0.11 -4.34 0.13 0.00 0.00 0.00 0.00 53.44 49.12 2hji n ALA 40 Cb 0.48 -2.93 0.25 0.00 0.00 0.00 0.00 19.45 17.25 2hji n ALA 40 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hji n ASP 41 N 4.67 2.13 -4.64 0.00 5.68 -1.26 -4.85 116.55 118.28 2hji n ASP 41 Ca 0.35 -1.63 -0.38 0.00 -0.50 0.00 0.00 54.79 52.63 2hji n ASP 41 Cb 0.40 0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 40.39 2hji n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2hji s ARG 42 N -2.13 4.09 -0.11 0.11 0.52 -1.26 -5.06 118.95 115.11 2hji s ARG 42 Ca 0.29 0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 55.40 2hji s ARG 42 Cb 0.20 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2hji s ARG 42 CO 0.38 -0.14 0.47 -0.51 0.02 0.00 0.00 175.30 175.52 2hji s ASP 43 N 1.32 6.68 0.00 0.23 1.01 -1.26 -4.94 116.67 119.71 2hji s ASP 43 Ca 0.16 0.81 0.27 0.00 0.71 0.00 0.00 52.55 54.50 2hji s ASP 43 Cb -0.15 -2.28 0.84 0.00 1.01 0.00 0.00 42.92 42.33 2hji s ASP 43 CO 0.08 0.02 1.62 0.18 0.21 0.00 0.00 175.17 177.29 2hji n LEU 44 N 3.56 0.72 0.00 1.23 7.99 -1.26 -5.04 117.00 124.20 2hji n LEU 44 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 2hji n LEU 44 Cb 0.52 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2hji n LEU 44 CO 0.43 0.14 0.00 0.61 -1.51 0.00 0.00 177.39 177.06 2hji n GLY 45 N 1.37 0.15 0.10 -0.72 0.00 -1.26 -4.86 105.19 99.97 2hji n GLY 45 Ca 0.11 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 2hji n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hji n ALA 46 N -1.00 0.85 -2.68 4.61 0.00 -1.26 -4.90 120.51 116.13 2hji n ALA 46 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.31 2hji n ALA 46 Cb 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2hji n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hji s ALA 47 N -2.74 3.62 0.14 0.00 0.00 -1.26 -5.07 121.76 116.45 2hji s ALA 47 Ca -0.28 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 2hji s ALA 47 Cb 0.06 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 2hji s ALA 47 CO 0.41 -0.12 1.00 -1.25 0.00 0.00 0.00 175.76 175.80 2hji s PRO 48 N 0.91 4.68 0.54 0.00 0.04 -1.26 -5.04 135.00 134.87 2hji s PRO 48 Ca 0.08 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2hji s PRO 48 Cb -0.13 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.09 2hji s PRO 48 CO 0.03 0.20 0.20 0.99 0.04 0.00 0.00 177.00 178.46 2hji s THR 49 N -0.16 1.27 -0.12 1.26 2.01 -1.26 -5.00 115.64 113.65 2hji s THR 49 Ca 0.47 -1.75 -0.22 0.00 0.31 0.00 0.00 61.69 60.50 2hji s THR 49 Cb -0.25 -2.03 -0.20 0.00 0.01 0.00 0.00 72.50 70.03 2hji s THR 49 CO 0.31 0.00 0.63 0.00 -0.69 0.00 0.00 174.62 174.87 2hji h ALA 50 N 0.99 -0.01 -0.60 7.40 0.00 -1.97 -2.74 119.26 122.32 2hji h ALA 50 Ca -0.40 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 2hji h ALA 50 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2hji h ALA 50 CO 0.65 -0.02 0.28 0.93 0.00 0.00 0.00 179.25 181.08 2hji h GLU 51 N -0.98 0.88 0.67 0.00 5.08 -1.97 -1.37 114.58 116.89 2hji h GLU 51 Ca -0.00 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2hji h GLU 51 Cb 0.75 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2hji h GLU 51 CO 0.00 0.72 -0.32 0.00 -1.00 0.00 0.00 179.01 178.41 2hji h THR 52 N 0.83 0.13 -1.00 1.13 1.03 -1.99 -0.38 112.91 112.67 2hji h THR 52 Ca 0.21 -0.30 0.28 0.00 -0.01 0.00 0.00 66.41 66.59 2hji h THR 52 Cb 0.14 0.18 -0.05 0.00 -1.07 0.00 0.00 68.15 67.36 2hji h THR 52 CO -0.02 0.02 0.71 0.58 -0.01 0.00 0.00 175.52 176.80 2hji h VAL 53 N -1.16 0.51 0.30 0.00 2.07 -1.46 0.87 116.25 117.37 2hji h VAL 53 Ca -0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2hji h VAL 53 Cb 0.72 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2hji h VAL 53 CO 0.15 0.01 -0.14 0.40 0.02 0.00 0.00 177.57 178.01 2hji h ILE 54 N 0.06 0.43 -0.40 4.57 2.04 -0.78 -2.63 117.51 120.80 2hji h ILE 54 Ca 0.49 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2hji h ILE 54 Cb 1.84 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2hji h ILE 54 CO -0.04 0.11 0.04 0.00 0.00 0.00 0.00 178.15 178.26 2hji h ALA 55 N -0.69 0.54 0.73 1.87 0.00 -0.12 0.06 119.26 121.65 2hji h ALA 55 Ca -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2hji h ALA 55 Cb 0.48 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2hji h ALA 55 CO 0.07 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 179.24 2hji h ALA 56 N 0.91 -0.98 0.00 0.00 0.00 -1.00 -1.86 119.26 116.33 2hji h ALA 56 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hji h ALA 56 Cb 0.40 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hji h ALA 56 CO 0.01 -0.97 0.00 0.66 0.00 0.00 0.00 179.25 178.95 2hji n TYR 57 N -5.46 0.00 -0.10 0.00 4.01 -0.99 -3.84 117.16 110.78 2hji n TYR 57 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 2hji n TYR 57 Cb 0.40 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 2hji n TYR 57 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2hji h GLN 58 N 0.02 0.45 -0.24 -0.72 5.75 -0.09 -1.11 115.11 119.16 2hji h GLN 58 Ca 0.00 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2hji h GLN 58 Cb 0.23 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2hji h GLN 58 CO 0.00 0.42 0.29 1.12 -2.65 0.00 0.00 178.83 178.01 2hji h HIS 59 N 0.37 0.00 0.14 3.99 2.07 -1.74 0.82 115.15 120.80 2hji h HIS 59 Ca 0.11 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.31 2hji h HIS 59 Cb 0.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 2hji h HIS 59 CO -0.02 0.00 -1.58 0.00 -3.07 0.00 0.00 177.93 173.26 2hji h ALA 60 N 1.65 0.23 -0.32 6.11 0.00 -1.53 -3.01 119.26 122.38 2hji h ALA 60 Ca 0.12 -1.11 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 2hji h ALA 60 Cb 0.70 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2hji h ALA 60 CO -0.00 1.09 -0.03 0.82 0.00 0.00 0.00 179.25 181.14 2hji h ILE 61 N 0.08 1.20 0.02 0.00 2.04 0.29 -2.45 117.51 118.69 2hji h ILE 61 Ca -0.27 -0.81 -0.20 0.00 1.00 0.00 0.00 64.86 64.57 2hji h ILE 61 Cb 2.04 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2hji h ILE 61 CO 0.17 0.28 -0.94 0.44 0.00 0.00 0.00 178.15 178.10 2hji h ASP 62 N 0.48 0.15 -0.51 1.72 3.32 -1.40 -3.27 116.42 116.91 2hji h ASP 62 Ca 0.10 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2hji h ASP 62 Cb 0.35 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2hji h ASP 62 CO 0.01 1.01 0.20 0.50 -1.72 0.00 0.00 179.24 179.24 2hji h LYS 63 N 0.05 0.76 0.00 3.56 3.64 -1.30 -3.26 116.57 120.02 2hji h LYS 63 Ca -0.04 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2hji h LYS 63 Cb 1.62 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2hji h LYS 63 CO 0.14 0.68 0.00 -0.11 -2.27 0.00 0.00 179.45 177.88 2hji n LEU 64 N -4.54 0.00 -3.68 5.20 0.00 -1.02 -4.62 117.00 108.33 2hji n LEU 64 Ca 0.02 0.97 -0.14 0.00 0.00 0.00 0.00 56.01 56.87 2hji n LEU 64 Cb 0.16 -0.47 -0.14 0.00 0.00 0.00 0.00 43.42 42.97 2hji n LEU 64 CO 0.38 -0.47 -0.15 -0.69 0.00 0.00 0.00 177.39 176.46 2hji s VAL 65 N -2.90 -0.30 -0.43 1.96 1.01 -1.23 -5.10 120.40 113.42 2hji s VAL 65 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2hji s VAL 65 Cb 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 36.38 36.05 2hji s VAL 65 CO 0.00 0.11 0.29 0.00 0.00 0.00 0.00 175.10 175.50 2hji s ALA 66 N 2.10 3.37 -0.02 5.51 0.00 -1.23 -4.84 121.76 126.64 2hji s ALA 66 Ca -0.01 -2.10 -0.29 0.00 0.00 0.00 0.00 51.96 49.56 2hji s ALA 66 Cb -0.12 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.34 2hji s ALA 66 CO -0.08 -1.65 0.90 -2.00 0.00 0.00 0.00 175.76 172.94 2hji s GLU 67 N 1.50 0.79 0.22 0.00 2.12 -1.26 -5.14 118.70 116.93 2hji s GLU 67 Ca 0.03 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.11 2hji s GLU 67 Cb -0.23 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2hji s GLU 67 CO 0.04 -0.34 0.00 1.63 -0.54 0.00 0.00 175.26 176.05 2hji n LYS 68 N -0.15 -0.13 -0.09 4.30 5.02 -1.26 -3.61 118.16 122.24 2hji n LYS 68 Ca -0.09 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2hji n LYS 68 Cb 0.61 -0.16 0.36 0.00 -0.02 0.00 0.00 35.03 35.82 2hji n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hji n GLY 69 N -0.32 0.38 1.72 0.72 0.00 -1.26 -4.88 105.19 101.56 2hji n GLY 69 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2hji n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hji n TYR 70 N 0.40 -1.47 0.00 1.61 4.02 -1.24 -4.08 117.16 116.40 2hji n TYR 70 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 2hji n TYR 70 Cb 0.34 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 2hji n TYR 70 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2hji n GLN 71 N -1.72 0.00 -3.74 -0.72 7.27 -1.25 -4.30 117.38 112.92 2hji n GLN 71 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 2hji n GLN 71 Cb 0.25 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.89 2hji n GLN 71 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2hji s SER 72 N -4.00 -0.12 0.04 1.69 1.04 -1.26 -5.11 113.70 105.99 2hji s SER 72 Ca 0.00 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.07 2hji s SER 72 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2hji s SER 72 CO 0.00 -0.77 -0.07 -1.66 0.98 0.00 0.00 173.24 171.73 2hji s TRP 73 N -2.92 0.60 0.19 5.02 -2.14 -1.26 -4.20 118.94 114.24 2hji s TRP 73 Ca 0.14 -0.55 -0.06 0.00 2.66 0.00 0.00 56.10 58.29 2hji s TRP 73 Cb -0.00 -0.37 -0.02 0.00 -3.10 0.00 0.00 33.47 29.98 2hji s TRP 73 CO 0.01 -0.12 0.24 0.34 -2.66 0.00 0.00 176.95 174.76 2hji s ASP 74 N -1.71 0.09 0.15 -2.66 2.15 -1.20 -5.00 116.67 108.50 2hji s ASP 74 Ca -0.09 -1.13 0.09 0.00 0.43 0.00 0.00 52.55 51.85 2hji s ASP 74 Cb -0.08 0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 2hji s ASP 74 CO -0.01 -0.90 -0.12 -0.69 -0.17 0.00 0.00 175.17 173.28 2hji s VAL 75 N -4.06 3.11 -0.34 1.11 1.01 -1.26 -2.67 120.40 117.29 2hji s VAL 75 Ca 0.28 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.70 2hji s VAL 75 Cb 0.04 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 34.03 2hji s VAL 75 CO 0.07 -0.03 0.09 -0.63 0.00 0.00 0.00 175.10 174.60 2hji s ILE 76 N -1.50 1.77 -0.06 2.22 1.01 -1.21 -4.91 121.20 118.52 2hji s ILE 76 Ca 0.23 -2.08 0.05 0.00 0.00 0.00 0.00 60.65 58.84 2hji s ILE 76 Cb -0.10 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2hji s ILE 76 CO 0.14 -0.65 -0.21 -0.44 0.00 0.00 0.00 174.94 173.78 2hji s SER 77 N 1.06 3.46 -0.24 3.58 0.01 -1.25 -3.80 113.70 116.52 2hji s SER 77 Ca 0.11 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 2hji s SER 77 Cb -0.19 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 2hji s SER 77 CO -0.13 0.28 0.06 -0.76 0.41 0.00 0.00 173.24 173.10 2hji s LEU 78 N -0.35 3.47 0.05 2.44 1.43 -1.26 -4.92 118.68 119.55 2hji s LEU 78 Ca 0.02 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2hji s LEU 78 Cb -0.12 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2hji s LEU 78 CO 0.02 0.00 0.17 -0.60 0.23 0.00 0.00 176.35 176.17 2hji s ARG 79 N 1.40 3.29 0.48 1.70 3.52 -1.26 -3.42 118.95 124.66 2hji s ARG 79 Ca 0.05 -0.48 0.30 0.00 -0.13 0.00 0.00 55.73 55.47 2hji s ARG 79 Cb -0.15 -2.97 1.11 0.00 -1.56 0.00 0.00 34.95 31.39 2hji s ARG 79 CO 0.03 0.61 1.87 0.00 -0.81 0.00 0.00 175.30 177.01 2hji h ALA 80 N 3.28 1.00 -0.39 6.12 0.00 -1.98 -2.48 119.26 124.81 2hji h ALA 80 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hji h ALA 80 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hji h ALA 80 CO 0.72 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.50 2hji n ASP 81 N -2.95 3.87 -3.97 0.00 2.03 -1.26 -4.82 116.55 109.45 2hji n ASP 81 Ca 0.02 -2.52 -0.25 0.00 0.52 0.00 0.00 54.79 52.56 2hji n ASP 81 Cb 0.34 -0.58 -0.17 0.00 -0.72 0.00 0.00 41.12 40.00 2hji n ASP 81 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hji s ASN 82 N -0.57 1.86 0.00 1.67 3.84 -0.94 -5.00 114.94 115.80 2hji s ASN 82 Ca 0.35 -0.29 0.27 0.00 0.21 0.00 0.00 52.86 53.40 2hji s ASN 82 Cb 0.26 -0.80 1.55 0.00 -0.55 0.00 0.00 41.25 41.70 2hji s ASN 82 CO 0.12 -0.03 1.95 -0.81 -2.79 0.00 0.00 177.10 175.54 2hji n PRO 83 N 4.26 0.74 0.00 0.43 -0.04 -1.26 -3.39 135.00 135.74 2hji n PRO 83 Ca -0.19 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.35 2hji n PRO 83 Cb 0.51 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.88 2hji n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hji n GLN 84 N -1.06 0.91 0.11 0.54 6.02 -1.26 -3.00 117.38 119.64 2hji n GLN 84 Ca 0.19 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.19 2hji n GLN 84 Cb 0.12 -1.24 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 2hji n GLN 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2hji h LYS 85 N 0.00 0.00 0.00 -1.09 2.10 -1.88 -2.60 116.57 113.10 2hji h LYS 85 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2hji h LYS 85 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2hji h LYS 85 CO 0.00 0.50 -0.03 1.49 -2.00 0.00 0.00 179.45 179.41 2hji h GLU 86 N 0.00 0.00 0.00 0.07 4.81 -1.84 -3.27 114.58 114.35 2hji h GLU 86 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2hji h GLU 86 Cb 1.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 2hji h GLU 86 CO 0.07 0.88 -0.35 0.00 -0.73 0.00 0.00 179.01 178.87 2hji h ALA 87 N -0.13 1.26 0.00 2.92 0.00 -1.72 -2.18 119.26 119.41 2hji h ALA 87 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2hji h ALA 87 Cb 0.89 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2hji h ALA 87 CO -0.00 0.44 -0.06 -0.07 0.00 0.00 0.00 179.25 179.56 2hji h LEU 88 N 0.00 0.00 0.83 0.00 3.38 -1.57 -2.70 115.31 115.25 2hji h LEU 88 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2hji h LEU 88 Cb 0.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2hji h LEU 88 CO 0.05 0.06 -0.40 -0.09 0.09 0.00 0.00 178.44 178.15 2hji h ARG 89 N 0.00 -1.08 -0.08 1.13 2.43 -1.44 -0.65 114.38 114.70 2hji h ARG 89 Ca -0.00 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2hji h ARG 89 Cb 0.29 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2hji h ARG 89 CO 0.01 -0.72 0.08 1.49 -1.51 0.00 0.00 179.97 179.32 2hji h GLU 90 N -1.12 0.00 -0.68 0.20 4.81 -1.70 0.49 114.58 116.58 2hji h GLU 90 Ca -0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2hji h GLU 90 Cb 0.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 2hji h GLU 90 CO 0.19 0.00 0.19 -0.22 -0.73 0.00 0.00 179.01 178.43 2hji h LYS 91 N 0.00 1.08 0.00 1.92 1.63 -1.04 -3.09 116.57 117.07 2hji h LYS 91 Ca 0.04 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2hji h LYS 91 Cb 0.20 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2hji h LYS 91 CO -0.00 0.95 -1.28 1.19 -3.45 0.00 0.00 179.45 176.86 2hji n PHE 92 N -4.29 0.00 0.55 1.91 3.72 -0.32 -4.36 117.46 114.67 2hji n PHE 92 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 2hji n PHE 92 Cb 0.24 -0.19 0.19 0.00 -0.94 0.00 0.00 39.48 38.78 2hji n PHE 92 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2hji n LEU 93 N -1.74 2.47 -4.95 4.37 7.99 0.16 -2.44 117.00 122.87 2hji n LEU 93 Ca 0.00 -1.24 -0.19 0.00 -0.01 0.00 0.00 56.01 54.57 2hji n LEU 93 Cb 0.36 -0.34 -0.01 0.00 -0.11 0.00 0.00 43.42 43.31 2hji n LEU 93 CO 0.36 0.52 0.08 0.21 -1.51 0.00 0.00 177.39 177.05 2hji s ASN 94 N -0.87 5.38 -0.11 -1.43 3.84 -1.17 -4.94 114.94 115.63 2hji s ASN 94 Ca 0.28 -0.57 -0.30 0.00 0.21 0.00 0.00 52.86 52.48 2hji s ASN 94 Cb 0.16 -0.62 -0.02 0.00 -0.55 0.00 0.00 41.25 40.22 2hji s ASN 94 CO 0.16 -0.71 1.15 -1.61 -2.79 0.00 0.00 177.10 173.30 2hji s GLU 95 N -4.25 4.33 -0.05 0.43 2.02 -1.26 -4.77 118.70 115.16 2hji s GLU 95 Ca 0.52 1.57 -0.01 0.00 0.02 0.00 0.00 54.97 57.07 2hji s GLU 95 Cb -0.07 -3.61 0.03 0.00 0.10 0.00 0.00 34.13 30.58 2hji s GLU 95 CO 0.31 -0.49 0.02 -1.58 0.02 0.00 0.00 175.26 173.53 2hji s HIS 96 N 2.56 0.38 0.08 1.61 5.65 -1.26 -5.08 115.29 119.22 2hji s HIS 96 Ca 0.52 0.01 0.02 0.00 0.25 0.00 0.00 55.06 55.87 2hji s HIS 96 Cb -0.21 -0.57 -0.03 0.00 -1.18 0.00 0.00 32.58 30.58 2hji s HIS 96 CO 0.18 -0.22 -0.08 0.99 -0.65 0.00 0.00 174.74 174.96 2hji s THR 97 N 1.66 0.68 0.12 0.89 2.01 -1.26 -4.14 115.64 115.60 2hji s THR 97 Ca -0.01 -1.59 0.02 0.00 0.31 0.00 0.00 61.69 60.42 2hji s THR 97 Cb -0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2hji s THR 97 CO -0.03 -0.65 -0.06 -1.38 -0.69 0.00 0.00 174.62 171.81 2hji s HIS 98 N -2.65 0.99 -0.32 4.92 -3.43 -1.26 -5.02 115.29 108.51 2hji s HIS 98 Ca 0.03 -0.91 0.01 0.00 -0.80 0.00 0.00 55.06 53.39 2hji s HIS 98 Cb -0.01 -0.56 0.15 0.00 -1.43 0.00 0.00 32.58 30.73 2hji s HIS 98 CO -0.02 -0.13 1.06 0.41 -2.00 0.00 0.00 174.74 174.06 2hji n GLY 99 N -0.09 2.31 3.21 -1.38 0.00 -1.26 -2.94 105.19 105.03 2hji n GLY 99 Ca -0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2hji n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hji s GLU 100 N -0.91 0.68 0.00 1.61 2.12 -1.26 -4.76 118.70 116.18 2hji s GLU 100 Ca 0.12 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2hji s GLU 100 Cb 0.10 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.78 2hji s GLU 100 CO 0.03 -0.20 0.00 -0.40 -0.54 0.00 0.00 175.26 174.15 2hji n ASP 101 N 0.97 -0.71 -3.66 -1.70 5.68 -1.26 -4.41 116.55 111.45 2hji n ASP 101 Ca -0.20 -0.23 -0.10 0.00 -0.50 0.00 0.00 54.79 53.76 2hji n ASP 101 Cb 0.58 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.52 2hji n ASP 101 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2hji s GLU 102 N -1.75 1.27 -0.06 0.11 -1.05 -1.15 -4.88 118.70 111.19 2hji s GLU 102 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 2hji s GLU 102 Cb 0.00 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2hji s GLU 102 CO 0.00 -0.53 -0.04 0.08 0.95 0.00 0.00 175.26 175.72 2hji s VAL 103 N -3.84 0.56 -0.10 1.83 1.01 -1.10 -3.23 120.40 115.53 2hji s VAL 103 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2hji s VAL 103 Cb -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2hji s VAL 103 CO -0.07 0.26 -0.21 -0.13 0.00 0.00 0.00 175.10 174.95 2hji s ARG 104 N 1.33 3.02 -0.22 2.72 1.81 -0.62 -2.10 118.95 124.89 2hji s ARG 104 Ca -0.04 -0.83 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 2hji s ARG 104 Cb -0.14 -2.36 0.05 0.00 -0.45 0.00 0.00 34.95 32.06 2hji s ARG 104 CO -0.02 0.24 -0.09 0.12 -0.68 0.00 0.00 175.30 174.87 2hji s PHE 105 N 0.21 2.59 0.69 -0.53 5.36 -0.66 -2.45 117.98 123.19 2hji s PHE 105 Ca -0.13 -1.81 -0.06 0.00 -0.96 0.00 0.00 56.93 53.97 2hji s PHE 105 Cb -0.16 -1.68 0.06 0.00 -0.34 0.00 0.00 43.02 40.89 2hji s PHE 105 CO 0.07 -0.78 1.00 -0.06 -1.46 0.00 0.00 175.22 173.98 2hji s PHE 106 N 1.33 2.90 0.00 10.12 0.40 -1.06 -1.41 117.98 130.26 2hji s PHE 106 Ca -0.04 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 2hji s PHE 106 Cb -0.18 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.19 2hji s PHE 106 CO -0.07 -1.37 0.00 1.33 0.70 0.00 0.00 175.22 175.81 2hji n VAL 107 N -2.88 0.00 -3.72 -0.44 0.24 -0.89 -3.31 118.33 107.32 2hji n VAL 107 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.24 2hji n VAL 107 Cb 0.60 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.83 2hji n VAL 107 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2hji s GLU 108 N -1.00 0.10 0.00 7.34 0.41 -1.26 -4.21 118.70 120.09 2hji s GLU 108 Ca 0.00 0.47 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 2hji s GLU 108 Cb 0.00 -0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.17 2hji s GLU 108 CO 0.00 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 2hji n GLY 109 N 4.53 2.16 3.34 -1.39 0.00 -1.26 -0.29 105.19 112.28 2hji n GLY 109 Ca -0.20 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 2hji n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hji s ALA 110 N -2.49 3.02 -0.23 4.61 0.00 -1.26 -3.88 121.76 121.53 2hji s ALA 110 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 2hji s ALA 110 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2hji s ALA 110 CO 0.00 -0.79 -0.04 0.20 0.00 0.00 0.00 175.76 175.13 2hji s GLY 111 N 1.50 1.62 -0.10 0.00 0.00 -1.15 -4.86 107.32 104.33 2hji s GLY 111 Ca 0.03 -1.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.29 2hji s GLY 111 CO 0.01 0.46 0.63 -2.27 0.00 0.00 0.00 173.10 171.93 2hji s LEU 112 N 1.45 4.28 -0.13 0.66 0.20 -1.26 -2.75 118.68 121.13 2hji s LEU 112 Ca 0.05 1.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.88 2hji s LEU 112 Cb -0.15 -2.94 -0.02 0.00 -0.43 0.00 0.00 46.19 42.64 2hji s LEU 112 CO -0.04 -0.11 -0.08 0.12 -0.29 0.00 0.00 176.35 175.96 2hji s PHE 113 N 0.91 2.91 -0.05 5.38 5.36 -1.19 -2.69 117.98 128.62 2hji s PHE 113 Ca 0.33 -0.36 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 2hji s PHE 113 Cb -0.17 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2hji s PHE 113 CO 0.15 -0.02 -0.15 0.00 -1.46 0.00 0.00 175.22 173.74 2hji s LEU 115 N -0.72 1.12 -0.25 0.00 2.96 -1.18 -3.71 118.68 116.91 2hji s LEU 115 Ca 0.11 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 2hji s LEU 115 Cb -0.11 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 2hji s LEU 115 CO 0.00 -0.10 0.38 -2.28 -1.32 0.00 0.00 176.35 173.03 2hji s HIS 116 N 1.12 3.28 -0.28 5.38 2.46 -1.25 -2.03 115.29 123.96 2hji s HIS 116 Ca -0.08 0.46 0.01 0.00 0.47 0.00 0.00 55.06 55.92 2hji s HIS 116 Cb -0.14 -2.55 0.08 0.00 -0.13 0.00 0.00 32.58 29.84 2hji s HIS 116 CO -0.02 -0.17 0.01 0.42 -2.47 0.00 0.00 174.74 172.51 2hji s ILE 117 N 1.87 1.60 0.00 0.89 1.01 -0.93 -4.76 121.20 120.88 2hji s ILE 117 Ca 0.16 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.23 2hji s ILE 117 Cb -0.15 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2hji s ILE 117 CO 0.09 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2hji n GLY 118 N 4.59 1.61 1.33 6.18 0.00 -1.26 -2.70 105.19 114.94 2hji n GLY 118 Ca -0.05 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.43 2hji n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hji n ASP 119 N 3.61 3.90 -4.43 1.61 8.00 -1.26 -4.89 116.55 123.09 2hji n ASP 119 Ca 0.00 -2.39 -0.28 0.00 0.71 0.00 0.00 54.79 52.83 2hji n ASP 119 Cb 0.00 -0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.46 2hji n ASP 119 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2hji s GLU 120 N -1.85 1.53 -0.16 -1.24 8.01 -1.10 -2.32 118.70 121.57 2hji s GLU 120 Ca 0.40 -1.45 0.01 0.00 0.01 0.00 0.00 54.97 53.94 2hji s GLU 120 Cb 0.26 -1.89 0.01 0.00 -4.31 0.00 0.00 34.13 28.20 2hji s GLU 120 CO 0.18 0.42 -0.18 0.54 0.01 0.00 0.00 175.26 176.24 2hji s VAL 121 N -1.48 2.39 -0.04 2.63 0.11 -1.21 -2.20 120.40 120.61 2hji s VAL 121 Ca 0.19 -0.85 -0.13 0.00 -2.93 0.00 0.00 61.98 58.26 2hji s VAL 121 Cb -0.09 -2.00 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2hji s VAL 121 CO 0.09 0.52 0.33 -0.36 -3.33 0.00 0.00 175.10 172.36 2hji s PHE 122 N 0.98 3.68 -0.30 1.54 0.40 -0.86 -3.49 117.98 119.93 2hji s PHE 122 Ca -0.03 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.18 2hji s PHE 122 Cb -0.15 -2.20 0.09 0.00 0.51 0.00 0.00 43.02 41.27 2hji s PHE 122 CO -0.04 0.65 0.02 -1.14 0.70 0.00 0.00 175.22 175.41 2hji s GLN 123 N -1.00 1.48 -0.15 0.44 0.74 0.65 -3.07 119.66 118.75 2hji s GLN 123 Ca 0.21 -1.50 -0.00 0.00 0.05 0.00 0.00 55.36 54.12 2hji s GLN 123 Cb -0.15 -2.83 -0.01 0.00 1.10 0.00 0.00 33.01 31.11 2hji s GLN 123 CO 0.11 -0.83 -0.13 0.54 -0.55 0.00 0.00 175.29 174.43 2hji s VAL 124 N 1.15 3.01 0.21 1.34 0.11 -1.22 -1.34 120.40 123.66 2hji s VAL 124 Ca 0.05 -0.67 -0.25 0.00 -2.93 0.00 0.00 61.98 58.18 2hji s VAL 124 Cb -0.19 -2.28 -0.08 0.00 -1.53 0.00 0.00 36.38 32.30 2hji s VAL 124 CO -0.10 0.51 0.82 -0.22 -3.33 0.00 0.00 175.10 172.78 2hji s LEU 125 N 0.57 4.52 -0.16 2.54 0.20 -0.89 -3.14 118.68 122.32 2hji s LEU 125 Ca -0.08 1.68 -0.01 0.00 0.69 0.00 0.00 54.13 56.41 2hji s LEU 125 Cb -0.16 -3.51 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 2hji s LEU 125 CO 0.03 0.13 -0.11 0.00 -0.29 0.00 0.00 176.35 176.11 2hji n GLU 127 N 4.02 0.51 0.00 0.00 1.02 -1.26 -2.93 120.64 122.00 2hji n GLU 127 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2hji n GLU 127 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2hji n GLU 127 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2hji n LYS 128 N -0.96 0.00 0.00 3.49 2.85 -1.25 -2.92 118.16 119.37 2hji n LYS 128 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2hji n LYS 128 Cb 0.00 -0.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 2hji n LYS 128 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2hji n ASN 129 N -0.31 0.98 -4.83 -5.58 4.13 -1.21 -2.10 115.26 106.34 2hji n ASN 129 Ca 0.00 -0.99 -0.33 0.00 1.68 0.00 0.00 54.58 54.94 2hji n ASN 129 Cb 0.00 -0.25 -0.05 0.00 -1.54 0.00 0.00 39.78 37.95 2hji n ASN 129 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2hji s ASP 130 N 0.23 6.68 -0.02 6.41 1.11 -1.15 -2.42 116.67 127.51 2hji s ASP 130 Ca 0.00 1.66 0.04 0.00 0.18 0.00 0.00 52.55 54.43 2hji s ASP 130 Cb 0.00 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 2hji s ASP 130 CO 0.00 -0.55 -0.13 -0.22 1.18 0.00 0.00 175.17 175.45 2hji s LEU 131 N -3.71 1.93 -0.04 1.23 2.96 -1.00 -2.56 118.68 117.49 2hji s LEU 131 Ca 0.61 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2hji s LEU 131 Cb -0.10 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2hji s LEU 131 CO 0.24 0.14 0.12 -0.51 -1.32 0.00 0.00 176.35 175.01 2hji s ILE 132 N -0.08 0.01 -0.08 6.68 2.07 -1.03 -3.75 121.20 125.02 2hji s ILE 132 Ca 0.00 -0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2hji s ILE 132 Cb -0.08 -0.19 0.05 0.00 0.13 0.00 0.00 42.46 42.36 2hji s ILE 132 CO 0.00 -0.03 0.15 -0.94 -1.91 0.00 0.00 174.94 172.22 2hji s SER 133 N -0.04 0.76 -0.07 4.50 1.04 -1.17 -1.59 113.70 117.13 2hji s SER 133 Ca -0.01 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 2hji s SER 133 Cb -0.01 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2hji s SER 133 CO 0.00 -0.24 0.02 0.68 0.98 0.00 0.00 173.24 174.67 2hji s VAL 134 N 2.27 4.40 0.68 5.02 -7.23 -1.20 -2.78 120.40 121.56 2hji s VAL 134 Ca 0.03 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.88 2hji s VAL 134 Cb -0.12 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 34.01 2hji s VAL 134 CO -0.06 0.56 0.16 -2.65 -0.31 0.00 0.00 175.10 172.81 2hji n PRO 135 N 1.96 0.68 -2.76 4.82 -0.02 -1.26 -2.95 135.00 135.47 2hji n PRO 135 Ca -0.18 -0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 60.82 2hji n PRO 135 Cb 0.53 -1.15 0.06 0.00 -0.02 0.00 0.00 33.50 32.92 2hji n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hji s ALA 136 N -2.02 4.10 -0.16 3.55 0.00 -1.26 -4.24 121.76 121.73 2hji s ALA 136 Ca 0.13 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2hji s ALA 136 Cb -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2hji s ALA 136 CO 0.11 -0.92 0.00 0.72 0.00 0.00 0.00 175.76 175.67 2hji n HIS 137 N -2.40 0.00 -3.78 0.00 8.25 -1.15 -4.90 115.22 111.24 2hji n HIS 137 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.21 2hji n HIS 137 Cb 0.60 -1.80 -0.13 0.00 1.12 0.00 0.00 29.99 29.78 2hji n HIS 137 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2hji s THR 138 N -1.28 3.70 0.26 1.59 2.01 -1.26 -5.07 115.64 115.59 2hji s THR 138 Ca 0.00 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 2hji s THR 138 Cb 0.00 -3.03 -0.11 0.00 0.01 0.00 0.00 72.50 69.37 2hji s THR 138 CO 0.00 -0.08 1.57 -2.84 -0.69 0.00 0.00 174.62 172.58 2hji s PRO 139 N 1.41 4.16 0.11 4.92 0.02 -1.26 -4.89 135.00 139.47 2hji s PRO 139 Ca -0.01 2.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 2hji s PRO 139 Cb -0.19 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2hji s PRO 139 CO 0.02 -0.59 0.02 -3.38 -0.33 0.00 0.00 177.00 172.73 2hji s HIS 140 N 0.22 0.81 0.00 6.54 -3.43 -1.26 -3.95 115.29 114.22 2hji s HIS 140 Ca 0.64 -1.14 -0.14 0.00 -0.80 0.00 0.00 55.06 53.62 2hji s HIS 140 Cb -0.46 -0.48 0.02 0.00 -1.43 0.00 0.00 32.58 30.22 2hji s HIS 140 CO 0.44 -0.42 0.29 1.67 -2.00 0.00 0.00 174.74 174.72 2hji s TRP 141 N -3.94 -0.14 0.11 0.38 -2.14 -1.24 -4.04 118.94 107.94 2hji s TRP 141 Ca 0.18 0.15 -0.19 0.00 2.66 0.00 0.00 56.10 58.90 2hji s TRP 141 Cb 0.07 0.08 -0.07 0.00 -3.10 0.00 0.00 33.47 30.45 2hji s TRP 141 CO -0.02 -0.41 0.61 -0.06 -2.66 0.00 0.00 176.95 174.41 2hji s PHE 142 N -1.66 3.76 -0.32 1.66 0.40 -1.02 -3.59 117.98 117.22 2hji s PHE 142 Ca -0.11 1.29 -0.18 0.00 -0.60 0.00 0.00 56.93 57.33 2hji s PHE 142 Cb -0.04 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 40.96 2hji s PHE 142 CO 0.02 0.52 0.50 0.34 0.70 0.00 0.00 175.22 177.31 2hji s ASP 143 N -1.29 6.34 0.47 1.36 2.15 -1.10 -4.43 116.67 120.18 2hji s ASP 143 Ca 0.33 0.16 0.27 0.00 0.43 0.00 0.00 52.55 53.74 2hji s ASP 143 Cb -0.19 -2.27 0.97 0.00 -0.30 0.00 0.00 42.92 41.13 2hji s ASP 143 CO 0.20 -0.40 1.84 0.24 -0.17 0.00 0.00 175.17 176.88 2hji h MET 144 N 8.31 0.00 0.00 4.34 2.86 -1.95 -3.39 114.93 125.10 2hji h MET 144 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2hji h MET 144 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2hji h MET 144 CO 0.75 0.12 0.00 0.41 1.06 0.00 0.00 176.91 179.25 2hji n GLY 145 N 0.29 0.00 3.61 8.32 0.00 -1.26 -2.64 105.19 113.51 2hji n GLY 145 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2hji n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hji s SER 146 N -0.44 6.75 0.07 1.61 1.04 -1.26 -4.88 113.70 116.58 2hji s SER 146 Ca 0.00 0.71 0.13 0.00 0.48 0.00 0.00 55.95 57.27 2hji s SER 146 Cb 0.00 -2.49 -0.16 0.00 0.10 0.00 0.00 66.02 63.47 2hji s SER 146 CO 0.00 -0.89 0.97 -0.33 0.98 0.00 0.00 173.24 173.96 2hji h GLU 147 N 8.42 0.00 -5.92 4.02 3.07 -1.90 -3.48 114.58 118.80 2hji h GLU 147 Ca -0.22 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.32 2hji h GLU 147 Cb 1.07 0.00 0.17 0.00 -0.84 0.00 0.00 28.75 29.15 2hji h GLU 147 CO 1.01 0.57 -1.27 -2.30 -1.40 0.00 0.00 179.01 175.62 2hji n PRO 148 N -3.11 -0.84 -2.36 2.33 -0.02 -1.26 -4.81 135.00 124.93 2hji n PRO 148 Ca -0.08 -0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 60.73 2hji n PRO 148 Cb 0.92 -1.24 -0.03 0.00 -0.02 0.00 0.00 33.50 33.13 2hji n PRO 148 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hji s ASN 149 N -1.39 6.99 -0.04 2.55 4.22 -1.22 -4.67 114.94 121.39 2hji s ASN 149 Ca 0.32 2.02 0.02 0.00 -2.14 0.00 0.00 52.86 53.08 2hji s ASN 149 Cb 0.00 -2.57 0.01 0.00 1.28 0.00 0.00 41.25 39.97 2hji s ASN 149 CO 0.44 -0.57 -0.08 0.72 -2.04 0.00 0.00 177.10 175.57 2hji s PHE 150 N 1.65 0.91 -0.19 1.54 -0.71 -1.26 -4.78 117.98 115.14 2hji s PHE 150 Ca 0.60 -0.25 -0.13 0.00 -1.04 0.00 0.00 56.93 56.10 2hji s PHE 150 Cb -0.29 -0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 40.78 2hji s PHE 150 CO 0.27 -0.14 0.28 0.99 -1.34 0.00 0.00 175.22 175.27 2hji s THR 151 N 0.47 5.30 0.08 -4.49 2.01 0.60 -3.87 115.64 115.74 2hji s THR 151 Ca -0.07 0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.44 2hji s THR 151 Cb -0.11 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2hji s THR 151 CO 0.01 0.35 -0.08 0.00 -0.69 0.00 0.00 174.62 174.22 2hji s ALA 152 N 0.75 0.89 -0.10 7.40 0.00 -1.25 -3.49 121.76 125.96 2hji s ALA 152 Ca 0.15 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2hji s ALA 152 Cb -0.13 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2hji s ALA 152 CO 0.04 -0.14 -0.21 0.42 0.00 0.00 0.00 175.76 175.88 2hji s ILE 153 N -2.76 1.84 -0.24 0.00 -1.09 -0.50 -3.32 121.20 115.13 2hji s ILE 153 Ca 0.04 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2hji s ILE 153 Cb -0.01 -1.62 0.04 0.00 -1.58 0.00 0.00 42.46 39.29 2hji s ILE 153 CO -0.02 0.51 -0.11 0.00 -1.23 0.00 0.00 174.94 174.09 2hji s ARG 154 N 0.58 2.63 -0.05 2.79 1.70 -1.09 -1.65 118.95 123.86 2hji s ARG 154 Ca -0.14 -1.10 0.05 0.00 -0.47 0.00 0.00 55.73 54.07 2hji s ARG 154 Cb -0.17 -2.86 -0.01 0.00 -0.57 0.00 0.00 34.95 31.34 2hji s ARG 154 CO 0.04 -0.43 -0.20 0.42 -1.08 0.00 0.00 175.30 174.05 2hji s ILE 155 N 1.23 1.66 0.00 4.99 1.01 -0.89 -3.24 121.20 125.96 2hji s ILE 155 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2hji s ILE 155 Cb -0.17 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2hji s ILE 155 CO -0.06 0.47 0.00 2.22 0.00 0.00 0.00 174.94 177.57