#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj n GLU 5 N 0.00 -1.26 -3.27 0.00 1.02 -1.26 -5.06 120.64 110.80 2otj n GLU 5 Ca 0.00 0.93 0.03 0.00 -0.02 0.00 0.00 57.16 58.10 2otj n GLU 5 Cb 0.00 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2otj n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2otj s PHE 6 N -2.35 -1.36 -1.14 -0.32 5.36 -1.26 -5.08 117.98 111.83 2otj s PHE 6 Ca 0.00 1.67 -0.21 0.00 -0.96 0.00 0.00 56.93 57.43 2otj s PHE 6 Cb 0.00 0.56 -0.06 0.00 -0.34 0.00 0.00 43.02 43.18 2otj s PHE 6 CO 0.00 -0.72 1.91 -0.25 -1.46 0.00 0.00 175.22 174.70 2otj n ASP 7 N 5.41 3.40 -4.65 6.13 8.00 -1.26 -4.93 116.55 128.65 2otj n ASP 7 Ca -0.05 -2.75 -0.43 0.00 0.71 0.00 0.00 54.79 52.27 2otj n ASP 7 Cb 0.51 -1.61 -0.02 0.00 -0.02 0.00 0.00 41.12 39.98 2otj n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj s ALA 8 N 7.89 3.61 0.29 2.24 0.00 -1.26 -4.82 121.76 129.71 2otj s ALA 8 Ca 0.62 0.06 0.15 0.00 0.00 0.00 0.00 51.96 52.78 2otj s ALA 8 Cb 0.04 -3.59 0.65 0.00 0.00 0.00 0.00 23.12 20.23 2otj s ALA 8 CO 0.11 -1.23 1.76 -0.44 0.00 0.00 0.00 175.76 175.95 2otj h ASP 9 N 7.74 0.00 -3.70 0.00 3.32 -1.17 -3.43 116.42 119.18 2otj h ASP 9 Ca -0.20 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.47 2otj h ASP 9 Cb 1.06 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 2otj h ASP 9 CO 1.00 0.43 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.49 2otj s VAL 10 N -3.87 0.51 -0.26 -1.35 1.01 -0.98 -5.00 120.40 110.48 2otj s VAL 10 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2otj s VAL 10 Cb 0.13 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 36.07 2otj s VAL 10 CO 0.72 0.18 -0.10 -0.63 0.00 0.00 0.00 175.10 175.27 2otj s ILE 11 N 0.40 2.33 -0.15 2.22 1.01 -1.26 -1.64 121.20 124.11 2otj s ILE 11 Ca -0.05 -1.47 -0.08 0.00 0.00 0.00 0.00 60.65 59.05 2otj s ILE 11 Cb -0.09 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2otj s ILE 11 CO -0.00 0.05 0.13 -0.69 0.00 0.00 0.00 174.94 174.42 2otj s VAL 12 N 1.16 5.38 -0.41 2.92 1.01 0.46 -0.33 120.40 130.59 2otj s VAL 12 Ca -0.06 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2otj s VAL 12 Cb -0.19 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2otj s VAL 12 CO -0.05 0.54 0.40 -0.62 0.00 0.00 0.00 175.10 175.37 2otj s ASP 13 N -0.43 6.17 0.38 3.32 -1.08 0.35 0.19 116.67 125.57 2otj s ASP 13 Ca 0.12 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 2otj s ASP 13 Cb -0.12 -2.21 0.55 0.00 -1.46 0.00 0.00 42.92 39.69 2otj s ASP 13 CO 0.01 -0.51 1.68 0.00 0.52 0.00 0.00 175.17 176.87 2otj h ALA 14 N 8.67 1.00 -1.16 3.66 0.00 -1.45 -3.43 119.26 126.54 2otj h ALA 14 Ca -0.27 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 53.86 2otj h ALA 14 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2otj h ALA 14 CO 0.76 0.00 0.94 -2.13 0.00 0.00 0.00 179.25 178.83 2otj n ARG 15 N -2.84 0.67 -2.50 0.00 0.63 -1.26 -0.55 116.66 110.82 2otj n ARG 15 Ca 0.04 0.24 -0.20 0.00 -0.92 0.00 0.00 57.85 57.01 2otj n ARG 15 Cb 0.48 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 31.50 2otj n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2otj n ASP 16 N 5.68 -5.59 -4.35 6.15 8.00 -0.57 -4.93 116.55 120.94 2otj n ASP 16 Ca 0.33 -0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 2otj n ASP 16 Cb 0.06 -4.59 -0.15 0.00 -0.02 0.00 0.00 41.12 36.43 2otj n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj s ILE 18 N -0.72 3.30 0.08 0.00 1.01 0.17 -1.52 121.20 123.52 2otj s ILE 18 Ca 0.11 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 2otj s ILE 18 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2otj s ILE 18 CO 0.01 -0.57 0.91 0.80 0.00 0.00 0.00 174.94 176.09 2otj n MET 19 N 8.94 -0.22 -0.17 2.79 0.00 -0.40 -1.26 117.12 126.80 2otj n MET 19 Ca 0.25 0.90 -0.01 0.00 -0.00 0.00 0.00 57.70 58.83 2otj n MET 19 Cb 0.51 -1.32 0.08 0.00 0.00 0.00 0.00 33.22 32.48 2otj n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2otj h GLY 20 N 0.00 0.65 1.04 -5.12 0.00 -1.90 0.49 103.07 98.23 2otj h GLY 20 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2otj h GLY 20 CO -0.48 -0.08 0.33 3.21 0.00 0.00 0.00 176.54 179.52 2otj h ARG 21 N 0.24 1.14 0.40 4.80 3.08 -1.58 0.69 114.38 123.16 2otj h ARG 21 Ca 0.27 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2otj h ARG 21 Cb 0.37 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2otj h ARG 21 CO -0.35 0.92 -0.19 0.28 -1.07 0.00 0.00 179.97 179.56 2otj h VAL 22 N 1.11 0.60 -0.68 2.04 2.07 -0.48 -2.78 116.25 118.13 2otj h VAL 22 Ca 0.26 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2otj h VAL 22 Cb 0.19 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 2otj h VAL 22 CO -0.02 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.85 2otj h ALA 23 N -0.21 0.88 -0.98 1.67 0.00 0.41 0.15 119.26 121.19 2otj h ALA 23 Ca -0.05 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2otj h ALA 23 Cb 0.51 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2otj h ALA 23 CO 0.09 -0.24 0.64 1.03 0.00 0.00 0.00 179.25 180.76 2otj h SER 24 N 0.37 1.01 0.33 0.00 0.87 0.43 -0.84 113.55 115.71 2otj h SER 24 Ca 0.36 0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.69 2otj h SER 24 Cb 0.53 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2otj h SER 24 CO -0.39 0.64 -1.02 1.56 -0.53 0.00 0.00 176.83 177.09 2otj h GLN 25 N 1.14 0.43 -0.10 2.24 4.20 -0.83 -2.77 115.11 119.43 2otj h GLN 25 Ca 0.42 -0.51 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2otj h GLN 25 Cb 0.19 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2otj h GLN 25 CO -0.17 1.16 -0.33 0.28 -0.67 0.00 0.00 178.83 179.11 2otj h VAL 26 N 0.23 1.27 0.00 -0.54 2.07 -0.57 -1.62 116.25 117.08 2otj h VAL 26 Ca -0.10 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2otj h VAL 26 Cb 1.67 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2otj h VAL 26 CO 0.18 0.38 -0.00 0.00 0.02 0.00 0.00 177.57 178.15 2otj h ALA 27 N 1.49 -0.00 -0.91 1.67 0.00 -1.17 -0.88 119.26 119.45 2otj h ALA 27 Ca 0.02 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2otj h ALA 27 Cb 0.67 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2otj h ALA 27 CO 0.05 -0.28 0.54 1.49 0.00 0.00 0.00 179.25 181.05 2otj h GLU 28 N -0.44 0.80 -0.04 0.00 4.57 -1.31 -1.71 114.58 116.43 2otj h GLU 28 Ca -0.00 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 57.95 2otj h GLU 28 Cb 0.44 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2otj h GLU 28 CO 0.00 0.53 -0.68 1.96 -1.18 0.00 0.00 179.01 179.64 2otj h GLN 29 N 0.82 0.54 -0.78 1.92 4.20 -1.24 -3.08 115.11 117.49 2otj h GLN 29 Ca 0.47 -0.52 0.06 0.00 0.06 0.00 0.00 58.65 58.72 2otj h GLN 29 Cb 0.54 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 2otj h GLN 29 CO -0.30 1.15 0.51 0.00 -0.67 0.00 0.00 178.83 179.52 2otj h ALA 30 N 0.40 1.62 0.00 3.87 0.00 -0.67 0.96 119.26 125.44 2otj h ALA 30 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2otj h ALA 30 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2otj h ALA 30 CO 0.14 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.58 2otj h LEU 31 N 0.86 0.00 -1.49 0.00 3.38 -1.34 -2.08 115.31 114.64 2otj h LEU 31 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2otj h LEU 31 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2otj h LEU 31 CO -0.11 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.89 2otj n ASP 32 N -2.57 2.21 0.00 -0.43 8.00 0.24 -4.91 116.55 119.09 2otj n ASP 32 Ca 0.02 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2otj n ASP 32 Cb 0.31 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2otj n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2otj n GLY 33 N 1.22 0.48 3.69 0.44 0.00 -0.78 -5.05 105.19 105.19 2otj n GLY 33 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2otj n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otj s GLU 34 N -0.87 4.36 -0.53 1.61 0.41 -0.65 -4.98 118.70 118.06 2otj s GLU 34 Ca 0.00 1.75 -0.25 0.00 -0.41 0.00 0.00 54.97 56.06 2otj s GLU 34 Cb 0.00 -3.51 0.04 0.00 -1.78 0.00 0.00 34.13 28.88 2otj s GLU 34 CO 0.00 -0.43 0.95 0.99 -0.49 0.00 0.00 175.26 176.29 2otj s THR 35 N 1.97 4.38 0.11 3.63 2.01 -1.26 -3.86 115.64 122.62 2otj s THR 35 Ca 0.58 0.44 0.03 0.00 0.31 0.00 0.00 61.69 63.04 2otj s THR 35 Cb -0.27 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 2otj s THR 35 CO 0.25 -1.06 0.17 -0.69 -0.69 0.00 0.00 174.62 172.59 2otj s VAL 36 N 3.97 4.90 -0.10 3.82 1.01 -0.90 -0.53 120.40 132.56 2otj s VAL 36 Ca 0.33 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2otj s VAL 36 Cb -0.12 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.87 2otj s VAL 36 CO 0.21 0.03 0.02 0.00 0.00 0.00 0.00 175.10 175.37 2otj s ALA 37 N -1.57 0.70 -0.14 5.51 0.00 -0.65 -1.78 121.76 123.83 2otj s ALA 37 Ca 0.32 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 2otj s ALA 37 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2otj s ALA 37 CO 0.25 -0.67 0.48 0.08 0.00 0.00 0.00 175.76 175.90 2otj s VAL 38 N 1.98 5.18 0.08 0.00 1.01 0.47 -0.41 120.40 128.71 2otj s VAL 38 Ca 0.03 0.95 0.06 0.00 0.00 0.00 0.00 61.98 63.02 2otj s VAL 38 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2otj s VAL 38 CO -0.06 0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 174.57 2otj s VAL 39 N 0.82 3.53 -1.32 2.92 1.01 0.13 -0.02 120.40 127.48 2otj s VAL 39 Ca 0.25 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2otj s VAL 39 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2otj s VAL 39 CO 0.10 0.16 1.12 0.59 0.00 0.00 0.00 175.10 177.08 2otj n ASN 40 N 0.83 -5.06 -0.12 3.32 3.02 0.25 -1.31 115.26 116.19 2otj n ASN 40 Ca -0.13 -0.58 0.12 0.00 -0.03 0.00 0.00 54.58 53.97 2otj n ASN 40 Cb 0.52 -5.01 0.48 0.00 -0.61 0.00 0.00 39.78 35.17 2otj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2otj h ALA 41 N 0.98 2.01 -0.02 5.41 0.00 -1.63 0.11 119.26 126.12 2otj h ALA 41 Ca -0.58 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2otj h ALA 41 Cb 1.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2otj h ALA 41 CO 0.55 -0.16 0.02 1.05 0.00 0.00 0.00 179.25 180.71 2otj h GLU 42 N 0.45 0.00 -0.50 0.00 9.09 -1.86 -0.83 114.58 120.94 2otj h GLU 42 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 2otj h GLU 42 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 2otj h GLU 42 CO -0.10 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.50 2otj n ARG 43 N -4.02 2.45 -1.94 1.06 1.74 0.39 -1.80 116.66 114.54 2otj n ARG 43 Ca -0.02 -2.22 -0.33 0.00 -0.77 0.00 0.00 57.85 54.51 2otj n ARG 43 Cb 0.11 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.07 2otj n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otj s ALA 44 N -1.34 2.64 0.17 7.54 0.00 -0.32 -1.51 121.76 128.94 2otj s ALA 44 Ca 0.41 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.91 2otj s ALA 44 Cb 0.22 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2otj s ALA 44 CO 0.30 -0.99 -0.17 0.54 0.00 0.00 0.00 175.76 175.45 2otj s VAL 45 N -2.39 1.74 -0.04 0.00 0.11 -0.57 -1.21 120.40 118.04 2otj s VAL 45 Ca 0.65 -1.97 -0.01 0.00 -2.93 0.00 0.00 61.98 57.71 2otj s VAL 45 Cb -0.18 -1.86 0.03 0.00 -1.53 0.00 0.00 36.38 32.84 2otj s VAL 45 CO 0.38 -0.40 0.04 -0.51 -3.33 0.00 0.00 175.10 171.29 2otj s ILE 46 N -2.30 -0.01 0.65 7.04 2.07 -0.55 -1.27 121.20 126.82 2otj s ILE 46 Ca 0.17 0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.58 2otj s ILE 46 Cb -0.04 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 2otj s ILE 46 CO 0.06 0.18 1.13 -0.89 -1.91 0.00 0.00 174.94 173.51 2otj s THR 47 N 1.93 3.05 -1.34 4.00 2.01 -1.26 -0.80 115.64 123.23 2otj s THR 47 Ca 0.02 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2otj s THR 47 Cb -0.12 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2otj s THR 47 CO -0.03 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 2otj n GLY 48 N -0.20 0.66 3.58 4.40 0.00 -0.75 -4.89 105.19 107.98 2otj n GLY 48 Ca 0.11 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 2otj n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otj s ARG 49 N -0.76 3.58 0.32 1.61 3.52 -1.26 -3.01 118.95 122.95 2otj s ARG 49 Ca 0.00 0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.95 2otj s ARG 49 Cb 0.00 -3.94 0.89 0.00 -1.56 0.00 0.00 34.95 30.34 2otj s ARG 49 CO 0.00 -1.34 1.60 1.49 -0.81 0.00 0.00 175.30 176.24 2otj h GLU 50 N 9.20 0.09 -0.56 5.12 4.81 -1.94 -0.93 114.58 130.38 2otj h GLU 50 Ca -0.24 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2otj h GLU 50 Cb 1.07 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 2otj h GLU 50 CO 1.08 0.06 0.23 0.93 -0.73 0.00 0.00 179.01 180.58 2otj h GLU 51 N 0.09 0.42 -0.04 1.92 3.07 -2.00 -1.05 114.58 117.00 2otj h GLU 51 Ca 0.65 -0.02 -0.26 0.00 -0.50 0.00 0.00 59.36 59.22 2otj h GLU 51 Cb 1.44 -0.09 0.02 0.00 -0.84 0.00 0.00 28.75 29.28 2otj h GLU 51 CO -0.78 0.27 -0.98 -0.56 -1.40 0.00 0.00 179.01 175.56 2otj h GLN 52 N 0.43 0.73 -0.97 2.33 -0.00 -1.61 -2.66 115.11 113.36 2otj h GLN 52 Ca 0.27 -0.74 0.09 0.00 -0.00 0.00 0.00 58.65 58.27 2otj h GLN 52 Cb 0.28 0.20 -0.07 0.00 -0.00 0.00 0.00 27.48 27.88 2otj h GLN 52 CO -0.25 1.31 0.61 0.82 -0.00 0.00 0.00 178.83 181.33 2otj h ILE 53 N 0.43 0.99 -0.11 1.86 2.04 -1.09 -1.86 117.51 119.78 2otj h ILE 53 Ca -0.11 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.19 2otj h ILE 53 Cb 1.63 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2otj h ILE 53 CO 0.19 0.19 -0.76 0.58 0.00 0.00 0.00 178.15 178.36 2otj h VAL 54 N 1.03 1.33 -0.97 1.67 2.07 -1.21 -3.03 116.25 117.15 2otj h VAL 54 Ca 0.45 -2.07 0.05 0.00 0.82 0.00 0.00 66.70 65.95 2otj h VAL 54 Cb 0.33 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 2otj h VAL 54 CO -0.22 0.64 0.62 -0.33 0.02 0.00 0.00 177.57 178.30 2otj h GLU 55 N 0.39 1.13 -0.14 1.57 5.08 -0.98 0.37 114.58 122.01 2otj h GLU 55 Ca -0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2otj h GLU 55 Cb 1.36 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2otj h GLU 55 CO 0.14 0.75 0.04 -0.22 -1.00 0.00 0.00 179.01 178.72 2otj h LYS 56 N 1.16 0.21 -0.13 2.33 3.64 -1.42 -0.18 116.57 122.18 2otj h LYS 56 Ca 0.41 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 2otj h LYS 56 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2otj h LYS 56 CO -0.15 0.34 -0.32 1.88 -2.27 0.00 0.00 179.45 178.92 2otj h TYR 57 N 0.04 0.29 -0.33 1.91 -1.99 -1.29 -2.27 116.97 113.34 2otj h TYR 57 Ca 0.04 -0.07 -0.15 0.00 2.00 0.00 0.00 58.73 60.56 2otj h TYR 57 Cb 0.22 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2otj h TYR 57 CO -0.00 0.56 -0.40 0.93 -0.00 0.00 0.00 178.16 179.25 2otj h GLU 58 N 0.23 0.80 -0.64 4.88 5.08 -0.08 -2.82 114.58 122.02 2otj h GLU 58 Ca 0.03 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2otj h GLU 58 Cb 0.69 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2otj h GLU 58 CO 0.05 1.05 0.34 -0.22 -1.00 0.00 0.00 179.01 179.23 2otj h LYS 59 N 0.66 0.91 0.00 2.33 1.63 -0.74 -2.03 116.57 119.32 2otj h LYS 59 Ca 0.05 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2otj h LYS 59 Cb 0.96 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2otj h LYS 59 CO 0.09 0.70 -0.04 0.00 -3.45 0.00 0.00 179.45 176.76 2otj h ARG 60 N 0.88 0.00 0.13 1.90 3.08 -1.25 0.21 114.38 119.33 2otj h ARG 60 Ca 0.22 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.04 2otj h ARG 60 Cb 0.07 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.15 2otj h ARG 60 CO -0.03 0.04 -1.00 0.28 -1.07 0.00 0.00 179.97 178.19 2otj h VAL 61 N 0.00 1.40 0.00 2.04 2.07 -1.17 -3.31 116.25 117.28 2otj h VAL 61 Ca -0.00 -2.46 -0.06 0.00 0.82 0.00 0.00 66.70 65.00 2otj h VAL 61 Cb 0.08 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2otj h VAL 61 CO 0.00 0.72 -0.29 0.44 0.02 0.00 0.00 177.57 178.47 2otj h ASP 62 N -0.07 0.00 -3.98 0.57 3.32 -0.63 -3.44 116.42 112.18 2otj h ASP 62 Ca -0.16 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.36 2otj h ASP 62 Cb 1.74 0.00 0.10 0.00 0.22 0.00 0.00 39.33 41.39 2otj h ASP 62 CO 0.19 0.29 0.62 -0.63 -1.72 0.00 0.00 179.24 177.99 2otj s ILE 63 N -3.88 2.44 0.00 0.35 1.01 -0.03 -4.95 121.20 116.14 2otj s ILE 63 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2otj s ILE 63 Cb 0.12 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2otj s ILE 63 CO 0.66 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.25 2otj n GLY 64 N 0.63 2.57 0.00 6.18 0.00 -1.26 -4.66 105.19 108.64 2otj n GLY 64 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2otj n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2otj n ASN 65 N 0.00 0.00 0.02 1.61 0.23 -1.26 -4.97 115.26 110.89 2otj n ASN 65 Ca 0.00 -0.87 0.05 0.00 -0.53 0.00 0.00 54.58 53.23 2otj n ASN 65 Cb 0.00 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.15 2otj n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2otj h ASP 66 N 0.00 0.42 -0.48 0.53 3.32 -2.05 -0.34 116.42 117.82 2otj h ASP 66 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2otj h ASP 66 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2otj h ASP 66 CO 0.00 0.30 -0.14 -1.13 -1.72 0.00 0.00 179.24 176.55 2otj h ASN 67 N 0.49 0.95 -4.94 6.45 -0.73 -2.05 -3.49 115.58 112.26 2otj h ASN 67 Ca 0.14 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 57.94 2otj h ASN 67 Cb -0.02 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.31 2otj h ASN 67 CO -0.03 1.10 0.00 0.61 -0.37 0.00 0.00 177.43 178.74 2otj n GLY 68 N -0.19 1.92 2.48 1.57 0.00 -0.14 -5.00 105.19 105.84 2otj n GLY 68 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 2otj n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2otj n TYR 69 N 1.80 -1.92 -1.88 1.61 9.36 -1.26 -4.79 117.16 120.07 2otj n TYR 69 Ca 0.00 -2.62 -0.42 0.00 3.32 0.00 0.00 57.90 58.18 2otj n TYR 69 Cb 0.00 0.64 -0.03 0.00 -0.63 0.00 0.00 39.34 39.32 2otj n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 2otj s PHE 70 N -0.13 1.69 -0.12 2.98 5.36 -1.26 -4.80 117.98 121.70 2otj s PHE 70 Ca 0.33 0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.46 2otj s PHE 70 Cb 0.16 -4.03 0.02 0.00 -0.34 0.00 0.00 43.02 38.83 2otj s PHE 70 CO -0.17 -4.15 -0.15 -0.47 -1.46 0.00 0.00 175.22 168.82 2otj s TYR 71 N 5.09 2.06 0.45 10.12 5.04 -1.26 -5.12 117.35 133.74 2otj s TYR 71 Ca 0.81 -1.03 -0.25 0.00 -2.44 0.00 0.00 57.07 54.16 2otj s TYR 71 Cb -0.34 -1.49 -0.08 0.00 0.35 0.00 0.00 41.96 40.40 2otj s TYR 71 CO 0.34 -0.54 1.42 -1.25 -1.34 0.00 0.00 175.55 174.18 2otj s PRO 72 N 1.11 3.67 -0.11 4.97 0.04 -1.26 -4.89 135.00 138.54 2otj s PRO 72 Ca -0.04 2.40 0.06 0.00 0.04 0.00 0.00 61.00 63.47 2otj s PRO 72 Cb -0.14 -2.64 -0.11 0.00 0.04 0.00 0.00 34.50 31.64 2otj s PRO 72 CO -0.04 -0.82 -0.02 1.63 0.04 0.00 0.00 177.00 177.79 2otj n LYS 73 N -0.22 1.65 -2.11 4.56 5.02 -1.26 -4.57 118.16 121.24 2otj n LYS 73 Ca 0.05 0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 2otj n LYS 73 Cb 0.42 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2otj n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2otj s ARG 74 N -2.25 3.70 0.51 1.97 1.81 -1.26 -4.10 118.95 119.34 2otj s ARG 74 Ca -0.09 1.98 0.35 0.00 -1.72 0.00 0.00 55.73 56.24 2otj s ARG 74 Cb 0.04 -2.49 1.81 0.00 -0.45 0.00 0.00 34.95 33.86 2otj s ARG 74 CO 0.37 -0.65 2.06 -1.00 -0.68 0.00 0.00 175.30 175.40 2otj h PRO 75 N 2.14 0.00 0.10 3.54 0.13 -1.93 -1.83 132.00 134.15 2otj h PRO 75 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2otj h PRO 75 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2otj h PRO 75 CO 0.60 0.00 -0.07 0.22 -0.23 0.00 0.00 178.00 178.52 2otj h ASP 76 N 0.00 -0.19 -0.42 1.44 1.82 -1.91 -2.98 116.42 114.17 2otj h ASP 76 Ca 0.00 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.57 2otj h ASP 76 Cb 0.08 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2otj h ASP 76 CO 0.00 -0.11 -0.07 1.23 -1.61 0.00 0.00 179.24 178.68 2otj h GLY 77 N -0.17 0.86 -0.34 -0.78 0.00 -1.84 -2.91 103.07 97.89 2otj h GLY 77 Ca -0.01 -0.69 0.20 0.00 0.00 0.00 0.00 47.33 46.83 2otj h GLY 77 CO 0.01 0.63 0.16 -2.22 0.00 0.00 0.00 176.54 175.11 2otj h ILE 78 N 0.62 0.37 -0.33 2.60 1.08 -1.42 0.58 117.51 121.00 2otj h ILE 78 Ca 0.11 -0.07 -0.14 0.00 -0.39 0.00 0.00 64.86 64.37 2otj h ILE 78 Cb 0.59 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2otj h ILE 78 CO 0.04 0.04 -0.35 0.15 -0.69 0.00 0.00 178.15 177.34 2otj h PHE 79 N 0.20 0.98 0.00 1.37 -0.00 -1.48 -1.97 116.94 116.04 2otj h PHE 79 Ca 0.48 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.97 58.06 2otj h PHE 79 Cb 0.91 -0.20 -0.01 0.00 -0.00 0.00 0.00 35.95 36.64 2otj h PHE 79 CO -0.31 1.09 -0.42 -0.22 -0.00 0.00 0.00 178.31 178.45 2otj h LYS 80 N 0.60 0.00 -0.28 1.11 3.64 -0.58 -2.42 116.57 118.63 2otj h LYS 80 Ca 0.05 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 2otj h LYS 80 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2otj h LYS 80 CO 0.09 0.42 -0.50 -0.09 -2.27 0.00 0.00 179.45 177.09 2otj h ARG 81 N 0.00 0.83 -0.94 1.90 9.65 0.17 -1.88 114.38 124.11 2otj h ARG 81 Ca -0.00 -0.52 0.04 0.00 -1.10 0.00 0.00 59.98 58.39 2otj h ARG 81 Cb 0.86 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.44 2otj h ARG 81 CO 0.05 1.15 0.62 1.15 2.80 0.00 0.00 179.97 185.75 2otj h THR 82 N 0.60 1.16 -0.24 0.20 2.02 -1.09 -1.55 112.91 114.00 2otj h THR 82 Ca 0.02 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 2otj h THR 82 Cb 1.11 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2otj h THR 82 CO 0.11 0.22 -0.23 0.40 0.37 0.00 0.00 175.52 176.39 2otj h ILE 83 N 1.19 1.31 -0.18 3.11 2.04 -1.31 -2.86 117.51 120.81 2otj h ILE 83 Ca 0.38 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.90 2otj h ILE 83 Cb 0.02 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2otj h ILE 83 CO -0.12 0.43 0.16 -0.09 0.00 0.00 0.00 178.15 178.53 2otj h ARG 84 N 0.29 0.00 0.00 2.37 2.43 -0.62 0.40 114.38 119.26 2otj h ARG 84 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2otj h ARG 84 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2otj h ARG 84 CO 0.06 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 2otj n GLY 85 N -1.47 -1.35 0.81 2.80 0.00 -0.65 -2.41 105.19 102.93 2otj n GLY 85 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2otj n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2otj n MET 86 N -1.74 2.97 -4.20 1.61 2.81 0.14 -4.97 117.12 113.74 2otj n MET 86 Ca 0.05 -2.38 -0.16 0.00 -1.81 0.00 0.00 57.70 53.39 2otj n MET 86 Cb 0.29 -1.51 -0.13 0.00 -0.71 0.00 0.00 33.22 31.15 2otj n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2otj s LEU 87 N -1.65 2.11 -1.61 4.03 1.43 -1.01 -4.87 118.68 117.12 2otj s LEU 87 Ca 0.32 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 2otj s LEU 87 Cb 0.21 -0.33 -0.07 0.00 0.03 0.00 0.00 46.19 46.03 2otj s LEU 87 CO 0.15 -0.01 2.89 -0.81 0.23 0.00 0.00 176.35 178.80 2otj n PRO 88 N 2.31 3.65 0.00 1.29 -0.04 -1.26 -4.74 135.00 136.21 2otj n PRO 88 Ca -0.17 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 2otj n PRO 88 Cb 0.56 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 2otj n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2otj n HIS 89 N 3.76 0.00 0.84 0.54 1.44 -1.26 -1.13 115.22 119.41 2otj n HIS 89 Ca 0.76 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.57 2otj n HIS 89 Cb 0.24 -0.15 0.04 0.00 0.12 0.00 0.00 29.99 30.24 2otj n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2otj n LYS 90 N -1.07 1.64 -4.00 -1.40 5.02 -1.26 -4.12 118.16 112.97 2otj n LYS 90 Ca 0.00 -1.31 -0.22 0.00 -2.02 0.00 0.00 58.31 54.76 2otj n LYS 90 Cb 0.07 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2otj n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2otj s LYS 91 N -1.91 3.32 0.07 1.97 1.02 -0.28 -4.94 119.74 118.99 2otj s LYS 91 Ca 0.20 -0.80 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 2otj s LYS 91 Cb 0.16 -2.83 -0.15 0.00 -0.52 0.00 0.00 37.83 34.50 2otj s LYS 91 CO 0.36 0.44 1.48 0.37 -0.92 0.00 0.00 175.35 177.08 2otj h GLN 92 N 1.39 -0.83 -0.61 1.68 4.15 -1.93 0.23 115.11 119.20 2otj h GLN 92 Ca -0.51 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.05 2otj h GLN 92 Cb 1.23 0.19 -0.06 0.00 0.21 0.00 0.00 27.48 29.04 2otj h GLN 92 CO 0.62 -0.55 0.27 -0.09 -1.93 0.00 0.00 178.83 177.15 2otj h ARG 93 N -0.86 0.47 -0.36 1.69 2.43 -1.96 -2.20 114.38 113.59 2otj h ARG 93 Ca -0.05 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2otj h ARG 93 Cb 0.75 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2otj h ARG 93 CO -0.07 0.31 0.11 0.78 -1.51 0.00 0.00 179.97 179.59 2otj h GLY 94 N 0.49 0.61 1.02 2.80 0.00 -1.63 -2.25 103.07 104.11 2otj h GLY 94 Ca 0.30 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2otj h GLY 94 CO -0.26 0.34 0.42 -0.09 0.00 0.00 0.00 176.54 176.96 2otj h ARG 95 N 0.43 1.14 0.04 4.80 2.43 -0.16 -2.00 114.38 121.06 2otj h ARG 95 Ca 0.12 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2otj h ARG 95 Cb 0.27 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2otj h ARG 95 CO -0.00 0.86 -0.02 0.93 -1.51 0.00 0.00 179.97 180.22 2otj h GLU 96 N 1.13 -0.06 -0.76 0.20 5.08 -1.28 0.45 114.58 119.33 2otj h GLU 96 Ca 0.28 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2otj h GLU 96 Cb 0.07 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2otj h GLU 96 CO -0.04 -0.04 0.43 0.00 -1.00 0.00 0.00 179.01 178.36 2otj h ALA 97 N 0.90 1.06 -0.25 3.43 0.00 -1.21 -2.01 119.26 121.19 2otj h ALA 97 Ca -0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2otj h ALA 97 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2otj h ALA 97 CO 0.01 0.07 -0.01 0.35 0.00 0.00 0.00 179.25 179.67 2otj h PHE 98 N 0.74 0.48 0.00 0.00 3.57 -1.09 -2.91 116.94 117.74 2otj h PHE 98 Ca 0.36 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2otj h PHE 98 Cb 0.29 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2otj h PHE 98 CO -0.07 0.62 0.00 0.39 -2.23 0.00 0.00 178.31 177.02 2otj n GLU 99 N -4.62 0.06 -0.73 1.11 1.02 0.12 -1.85 120.64 115.75 2otj n GLU 99 Ca -0.04 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.40 2otj n GLU 99 Cb 0.25 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.51 2otj n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2otj n SER 100 N -1.43 4.83 -4.11 1.62 3.41 -0.80 -4.88 113.62 112.26 2otj n SER 100 Ca 0.04 -3.03 -0.24 0.00 -0.26 0.00 0.00 58.87 55.39 2otj n SER 100 Cb 0.14 -0.64 -0.15 0.00 -0.26 0.00 0.00 64.21 63.30 2otj n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2otj s VAL 101 N -2.84 1.21 -0.05 -3.33 1.01 -0.77 -2.12 120.40 113.51 2otj s VAL 101 Ca 0.50 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2otj s VAL 101 Cb 0.39 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2otj s VAL 101 CO 0.12 0.35 0.11 -0.13 0.00 0.00 0.00 175.10 175.55 2otj s ARG 102 N -0.15 0.07 -0.10 2.72 0.52 -0.73 -4.99 118.95 116.28 2otj s ARG 102 Ca 0.02 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.42 2otj s ARG 102 Cb -0.08 -0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 2otj s ARG 102 CO 0.00 -0.13 0.16 0.08 0.02 0.00 0.00 175.30 175.44 2otj s VAL 103 N 0.85 5.47 0.09 3.52 1.01 -1.26 -0.40 120.40 129.69 2otj s VAL 103 Ca -0.07 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2otj s VAL 103 Cb -0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2otj s VAL 103 CO -0.04 0.59 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 2otj s TYR 104 N -1.06 1.52 -0.28 5.22 1.51 0.98 -4.92 117.35 120.32 2otj s TYR 104 Ca 0.17 -0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.57 2otj s TYR 104 Cb -0.12 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.88 2otj s TYR 104 CO 0.06 0.15 0.64 -0.51 -1.11 0.00 0.00 175.55 174.77 2otj s LEU 105 N -1.92 4.11 0.00 -1.29 1.43 -1.26 -1.85 118.68 117.89 2otj s LEU 105 Ca 0.04 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2otj s LEU 105 Cb -0.09 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2otj s LEU 105 CO 0.03 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2otj n GLY 106 N 4.30 -0.41 2.66 -3.19 0.00 -1.26 -4.71 105.19 102.58 2otj n GLY 106 Ca -0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2otj n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2otj s ASN 107 N -4.00 3.59 0.08 1.61 3.04 -1.26 -0.58 114.94 117.42 2otj s ASN 107 Ca 0.00 -1.33 0.21 0.00 0.04 0.00 0.00 52.86 51.78 2otj s ASN 107 Cb 0.00 -0.60 0.85 0.00 -1.54 0.00 0.00 41.25 39.96 2otj s ASN 107 CO 0.00 -0.40 1.65 -0.81 -3.04 0.00 0.00 177.10 174.49 2otj n PRO 108 N 5.05 0.07 -2.55 0.43 -0.04 -1.26 -4.81 135.00 131.89 2otj n PRO 108 Ca -0.05 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 2otj n PRO 108 Cb 0.43 -1.62 0.12 0.00 -0.04 0.00 0.00 33.50 32.39 2otj n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2otj s TYR 109 N -3.09 1.46 -0.23 0.54 1.51 -1.26 -5.05 117.35 111.23 2otj s TYR 109 Ca 0.08 -0.28 -0.16 0.00 -1.01 0.00 0.00 57.07 55.70 2otj s TYR 109 Cb 0.12 -3.07 -0.17 0.00 -0.11 0.00 0.00 41.96 38.72 2otj s TYR 109 CO 0.38 -1.84 -0.01 -0.25 -1.11 0.00 0.00 175.55 172.72 2otj n ASP 110 N -2.93 1.93 -4.75 2.29 8.00 -1.26 -4.94 116.55 114.89 2otj n ASP 110 Ca 0.16 0.33 -0.38 0.00 0.71 0.00 0.00 54.79 55.61 2otj n ASP 110 Cb 0.61 -0.87 0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2otj n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2otj s GLU 111 N -2.45 3.14 0.19 -1.24 2.02 -1.26 -4.99 118.70 114.11 2otj s GLU 111 Ca -0.32 2.10 -0.18 0.00 0.02 0.00 0.00 54.97 56.58 2otj s GLU 111 Cb 0.09 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 32.06 2otj s GLU 111 CO 0.57 -1.14 0.66 -0.51 0.02 0.00 0.00 175.26 174.86 2otj s ASP 112 N -1.14 6.99 1.01 -0.19 1.11 -1.26 -5.03 116.67 118.15 2otj s ASP 112 Ca 0.72 1.30 -0.14 0.00 0.18 0.00 0.00 52.55 54.62 2otj s ASP 112 Cb -0.37 -2.37 0.19 0.00 1.07 0.00 0.00 42.92 41.44 2otj s ASP 112 CO 0.43 0.07 1.12 -0.83 1.18 0.00 0.00 175.17 177.14 2otj s GLY 113 N -1.63 1.58 0.17 0.21 0.00 -1.26 -5.01 107.32 101.38 2otj s GLY 113 Ca 0.40 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.60 2otj s GLY 113 CO 0.20 0.10 0.27 -1.83 0.00 0.00 0.00 173.10 171.84 2otj s GLU 114 N -5.17 3.34 -0.32 2.90 -1.05 0.55 -4.56 118.70 114.39 2otj s GLU 114 Ca 0.66 -0.68 -0.10 0.00 -0.15 0.00 0.00 54.97 54.70 2otj s GLU 114 Cb -0.15 -2.89 -0.01 0.00 -0.44 0.00 0.00 34.13 30.64 2otj s GLU 114 CO 0.56 0.50 0.17 0.08 0.95 0.00 0.00 175.26 177.51 2otj s VAL 115 N -1.80 4.67 0.38 1.83 1.01 -1.26 -0.50 120.40 124.74 2otj s VAL 115 Ca 0.34 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2otj s VAL 115 Cb -0.10 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2otj s VAL 115 CO 0.28 0.04 1.19 -0.76 0.00 0.00 0.00 175.10 175.85 2otj s LEU 116 N 1.62 4.25 0.26 3.92 1.43 -1.26 -4.96 118.68 123.93 2otj s LEU 116 Ca 0.05 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 2otj s LEU 116 Cb -0.17 -3.94 -0.11 0.00 0.03 0.00 0.00 46.19 42.00 2otj s LEU 116 CO 0.07 -0.64 1.53 -1.81 0.23 0.00 0.00 176.35 175.73 2otj s ASP 117 N -1.00 6.51 0.00 2.29 1.01 -1.26 -2.70 116.67 121.52 2otj s ASP 117 Ca 0.55 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.61 2otj s ASP 117 Cb -0.33 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.98 2otj s ASP 117 CO 0.41 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.58 2otj n GLY 118 N 2.41 3.16 0.16 0.21 0.00 -1.26 -4.87 105.19 105.00 2otj n GLY 118 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 2otj n GLY 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2otj h THR 119 N 0.00 0.75 -3.60 2.61 1.35 -1.87 -3.47 112.91 108.69 2otj h THR 119 Ca 0.00 -1.96 -0.52 0.00 -0.55 0.00 0.00 66.41 63.39 2otj h THR 119 Cb 0.00 2.29 0.02 0.00 -1.73 0.00 0.00 68.15 68.73 2otj h THR 119 CO 0.00 0.41 0.54 -0.55 -0.25 0.00 0.00 175.52 175.67 2otj s SER 120 N -6.41 7.12 -0.10 5.36 0.15 -1.26 0.41 113.70 118.98 2otj s SER 120 Ca 0.04 2.27 -0.02 0.00 0.70 0.00 0.00 55.95 58.93 2otj s SER 120 Cb 0.08 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 2otj s SER 120 CO 0.72 -0.31 0.00 -0.22 1.20 0.00 0.00 173.24 174.63 2otj s LEU 121 N -0.67 3.57 -0.53 3.45 2.96 0.54 -4.86 118.68 123.14 2otj s LEU 121 Ca 0.50 0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 54.34 2otj s LEU 121 Cb -0.33 -1.82 0.07 0.00 0.50 0.00 0.00 46.19 44.61 2otj s LEU 121 CO 0.39 0.35 0.63 -0.62 -1.32 0.00 0.00 176.35 175.77 2otj s ASP 122 N -0.70 6.20 0.56 3.68 -1.08 -1.26 -4.88 116.67 119.20 2otj s ASP 122 Ca 0.11 -1.11 0.26 0.00 -0.52 0.00 0.00 52.55 51.29 2otj s ASP 122 Cb -0.12 -2.28 1.50 0.00 -1.46 0.00 0.00 42.92 40.56 2otj s ASP 122 CO 0.02 -0.93 2.03 0.03 0.52 0.00 0.00 175.17 176.83 2otj h ARG 123 N 9.03 0.00 -0.21 4.34 3.08 -1.95 -1.41 114.38 127.26 2otj h ARG 123 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 2otj h ARG 123 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2otj h ARG 123 CO 1.00 0.00 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.41 2otj h LEU 124 N 0.00 0.52 -3.46 3.04 3.38 -2.05 -3.14 115.31 113.60 2otj h LEU 124 Ca 0.17 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2otj h LEU 124 Cb 0.78 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2otj h LEU 124 CO -0.00 0.88 0.07 -1.54 0.09 0.00 0.00 178.44 177.94 2otj n SER 125 N -4.02 4.21 -3.67 -0.43 3.41 -0.57 -4.92 113.62 107.62 2otj n SER 125 Ca -0.02 -3.19 -0.10 0.00 -0.26 0.00 0.00 58.87 55.30 2otj n SER 125 Cb 0.51 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 2otj n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2otj s ASN 126 N -1.61 -0.16 -0.05 4.04 0.01 -0.96 -5.00 114.94 111.22 2otj s ASN 126 Ca 0.48 0.85 0.08 0.00 -0.71 0.00 0.00 52.86 53.56 2otj s ASN 126 Cb 0.39 1.02 -0.12 0.00 0.41 0.00 0.00 41.25 42.95 2otj s ASN 126 CO 0.10 -0.22 0.10 0.00 -1.51 0.00 0.00 177.10 175.57 2otj n ILE 127 N 5.08 0.30 -3.26 0.60 3.06 -1.26 -4.65 119.36 119.23 2otj n ILE 127 Ca -0.12 -0.28 -0.46 0.00 -2.50 0.00 0.00 62.75 59.39 2otj n ILE 127 Cb 0.51 -0.29 -0.02 0.00 0.54 0.00 0.00 39.64 40.37 2otj n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2otj s LYS 128 N -2.38 3.52 0.19 9.51 1.02 -1.26 -4.96 119.74 125.38 2otj s LYS 128 Ca -0.04 -2.24 -0.24 0.00 0.02 0.00 0.00 55.97 53.47 2otj s LYS 128 Cb 0.04 -4.48 0.05 0.00 -0.52 0.00 0.00 37.83 32.92 2otj s LYS 128 CO 0.35 -1.37 0.88 -0.59 -0.92 0.00 0.00 175.35 173.69 2otj s PHE 129 N 0.76 -0.15 0.03 3.18 -0.12 -1.16 -1.82 117.98 118.70 2otj s PHE 129 Ca 0.18 -0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 2otj s PHE 129 Cb -0.12 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 2otj s PHE 129 CO -0.07 -0.96 -0.00 0.08 -0.05 0.00 0.00 175.22 174.22 2otj s VAL 130 N -3.49 0.13 0.04 -2.49 1.01 0.02 -4.82 120.40 110.81 2otj s VAL 130 Ca 0.12 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 2otj s VAL 130 Cb -0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 2otj s VAL 130 CO 0.04 -0.61 0.56 -0.89 0.00 0.00 0.00 175.10 174.19 2otj s THR 131 N -2.11 4.83 0.28 3.92 2.01 -1.26 -1.49 115.64 121.82 2otj s THR 131 Ca -0.10 1.18 0.02 0.00 0.31 0.00 0.00 61.69 63.10 2otj s THR 131 Cb -0.05 -3.89 0.27 0.00 0.01 0.00 0.00 72.50 68.84 2otj s THR 131 CO -0.03 0.51 1.78 -0.07 -0.69 0.00 0.00 174.62 176.12 2otj h LEU 132 N 4.92 0.68 -1.31 4.42 3.38 -1.19 0.46 115.31 126.66 2otj h LEU 132 Ca -0.48 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2otj h LEU 132 Cb 1.21 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2otj h LEU 132 CO 0.65 0.28 0.28 1.23 0.09 0.00 0.00 178.44 180.98 2otj h GLY 133 N 0.73 0.81 0.96 0.83 0.00 -1.62 -1.63 103.07 103.15 2otj h GLY 133 Ca 0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2otj h GLY 133 CO -0.36 0.34 0.17 0.83 0.00 0.00 0.00 176.54 177.53 2otj h GLU 134 N 0.76 0.71 -0.33 4.80 5.08 -1.20 -0.58 114.58 123.83 2otj h GLU 134 Ca 0.19 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2otj h GLU 134 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2otj h GLU 134 CO -0.03 0.66 0.19 0.82 -1.00 0.00 0.00 179.01 179.65 2otj h ILE 135 N 0.62 1.12 -0.59 3.13 2.04 -0.99 -1.13 117.51 121.71 2otj h ILE 135 Ca 0.15 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2otj h ILE 135 Cb 0.22 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2otj h ILE 135 CO -0.01 0.12 0.38 0.28 0.00 0.00 0.00 178.15 178.93 2otj h SER 136 N 0.42 0.65 -0.78 1.72 0.02 -1.06 0.30 113.55 114.83 2otj h SER 136 Ca 0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2otj h SER 136 Cb 0.03 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2otj h SER 136 CO -0.02 0.47 0.51 -0.33 -1.14 0.00 0.00 176.83 176.31 2otj h GLU 137 N 0.78 1.03 -0.60 3.45 5.08 -0.79 0.18 114.58 123.72 2otj h GLU 137 Ca 0.23 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2otj h GLU 137 Cb -0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 2otj h GLU 137 CO -0.06 0.70 -0.02 1.15 -1.00 0.00 0.00 179.01 179.77 2otj h THR 138 N 1.06 1.27 0.00 1.13 2.02 -0.39 -2.55 112.91 115.44 2otj h THR 138 Ca 0.28 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2otj h THR 138 Cb -0.10 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2otj h THR 138 CO -0.06 0.43 0.00 -0.07 0.37 0.00 0.00 175.52 176.19 2otj h LEU 139 N 0.97 0.00 0.00 2.58 3.38 0.21 -3.46 115.31 118.99 2otj h LEU 139 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2otj h LEU 139 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2otj h LEU 139 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2otj n GLY 140 N -0.39 1.16 3.74 0.83 0.00 -0.71 -5.07 105.19 104.75 2otj n GLY 140 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2otj n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 141 N -2.00 2.28 -0.46 4.61 0.00 0.56 -4.96 121.76 121.79 2otj s ALA 141 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 2otj s ALA 141 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2otj s ALA 141 CO 0.00 -1.59 0.85 1.21 0.00 0.00 0.00 175.76 176.23 2otj s ASN 142 N -2.29 6.44 -0.68 0.00 3.84 -1.26 -4.64 114.94 116.35 2otj s ASN 142 Ca 0.71 -0.04 -0.26 0.00 0.21 0.00 0.00 52.86 53.48 2otj s ASN 142 Cb -0.25 -2.42 -0.07 0.00 -0.55 0.00 0.00 41.25 37.97 2otj s ASN 142 CO 0.43 -1.00 2.18 -0.75 -2.79 0.00 0.00 177.10 175.18 2otj s LYS 143 N 3.53 2.19 -0.41 0.43 2.20 -1.26 -4.76 119.74 121.65 2otj s LYS 143 Ca 0.33 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.62 2otj s LYS 143 Cb -0.11 -4.68 0.47 0.00 -1.51 0.00 0.00 37.83 31.99 2otj s LYS 143 CO 0.24 -3.47 1.50 -2.37 -0.36 0.00 0.00 175.35 170.89 2otj n THR 144 N 7.98 2.89 -1.37 3.43 5.66 -1.26 -5.22 114.28 126.39 2otj n THR 144 Ca 0.36 -3.58 0.00 0.00 -3.05 0.00 0.00 64.05 57.78 2otj n THR 144 Cb 0.50 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 2otj n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35