#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 h ASP 2 N 0.00 0.00 -0.42 0.00 3.32 -2.11 0.33 116.42 117.54 1x02 h ASP 2 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1x02 h ASP 2 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1x02 h ASP 2 CO 0.00 0.00 0.29 0.00 -1.72 0.00 0.00 179.24 177.81 1x02 n GLN 3 N -3.23 1.55 -3.44 3.56 1.13 -1.26 -4.49 117.38 111.19 1x02 n GLN 3 Ca 0.06 -1.29 -0.26 0.00 -1.94 0.00 0.00 57.00 53.57 1x02 n GLN 3 Cb 0.72 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.48 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x02 n LEU 4 N -0.13 1.95 0.00 1.08 4.77 0.12 -4.88 117.00 119.91 1x02 n LEU 4 Ca 0.26 -5.02 -0.01 0.00 -0.03 0.00 0.00 56.01 51.20 1x02 n LEU 4 Cb 0.96 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1x02 n LEU 4 CO 0.27 1.97 0.01 0.41 -1.33 0.00 0.00 177.39 178.72 1x02 n THR 5 N 1.52 0.00 -0.44 -5.08 -1.04 -1.26 -4.75 114.28 103.24 1x02 n THR 5 Ca 0.25 -0.09 0.35 0.00 -2.04 0.00 0.00 64.05 62.52 1x02 n THR 5 Cb 0.44 -0.83 0.53 0.00 -1.82 0.00 0.00 70.33 68.66 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x02 n GLU 6 N -0.91 0.00 0.02 -2.82 1.02 -1.26 0.15 120.64 116.84 1x02 n GLU 6 Ca 0.00 0.78 -0.11 0.00 -0.02 0.00 0.00 57.16 57.82 1x02 n GLU 6 Cb 0.03 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1x02 h GLU 7 N 0.00 -0.04 0.07 3.49 4.11 -1.97 0.41 114.58 120.65 1x02 h GLU 7 Ca 0.61 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.92 1x02 h GLU 7 Cb 2.62 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.89 1x02 h GLU 7 CO -0.01 -0.03 -0.53 1.96 0.07 0.00 0.00 179.01 180.47 1x02 h GLN 8 N -0.04 0.24 -0.85 1.06 1.08 0.11 -2.99 115.11 113.73 1x02 h GLN 8 Ca 0.04 -0.35 0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1x02 h GLN 8 Cb 0.11 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 27.56 1x02 h GLN 8 CO -0.10 1.12 0.42 0.82 -0.95 0.00 0.00 178.83 180.15 1x02 h ILE 9 N -0.47 0.70 -0.43 2.54 5.03 -1.39 0.18 117.51 123.67 1x02 h ILE 9 Ca -0.09 -0.20 -0.12 0.00 -0.12 0.00 0.00 64.86 64.33 1x02 h ILE 9 Cb 1.36 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.20 1x02 h ILE 9 CO 0.10 0.11 -0.21 0.00 -0.68 0.00 0.00 178.15 177.47 1x02 h ALA 10 N 1.57 0.61 0.60 1.87 0.00 -1.00 -0.88 119.26 122.03 1x02 h ALA 10 Ca 0.47 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1x02 h ALA 10 Cb 0.69 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x02 h ALA 10 CO -0.38 0.59 -0.29 0.93 0.00 0.00 0.00 179.25 180.10 1x02 h GLU 11 N 0.74 -0.78 0.00 0.00 4.39 -0.99 -2.98 114.58 114.96 1x02 h GLU 11 Ca 0.10 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1x02 h GLU 11 Cb 0.78 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1x02 h GLU 11 CO 0.06 -0.47 -0.01 0.74 -1.16 0.00 0.00 179.01 178.17 1x02 h PHE 12 N -1.02 0.00 -0.88 4.33 -1.00 -0.78 -3.02 116.94 114.57 1x02 h PHE 12 Ca -0.08 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.80 1x02 h PHE 12 Cb 0.67 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.11 1x02 h PHE 12 CO -0.00 0.01 -0.52 -0.22 -1.61 0.00 0.00 178.31 175.97 1x02 h LYS 13 N 0.00 -0.07 -0.83 1.51 3.64 -0.99 0.38 116.57 120.22 1x02 h LYS 13 Ca -0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1x02 h LYS 13 Cb 0.03 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.72 1x02 h LYS 13 CO 0.00 -0.05 0.12 0.93 -2.27 0.00 0.00 179.45 178.18 1x02 h GLU 14 N -0.07 0.15 0.00 1.90 4.39 -1.62 1.26 114.58 120.58 1x02 h GLU 14 Ca 0.19 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1x02 h GLU 14 Cb 0.49 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1x02 h GLU 14 CO -0.88 0.10 -0.20 0.00 -1.16 0.00 0.00 179.01 176.86 1x02 h ALA 15 N 1.76 1.37 -0.02 3.43 0.00 -0.47 -1.85 119.26 123.47 1x02 h ALA 15 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x02 h ALA 15 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x02 h ALA 15 CO -0.68 0.25 -0.32 0.34 0.00 0.00 0.00 179.25 178.85 1x02 n PHE 16 N -3.87 0.00 -0.01 0.00 7.35 0.35 -3.92 117.46 117.36 1x02 n PHE 16 Ca -0.02 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.54 1x02 n PHE 16 Cb 0.29 -0.03 -0.14 0.00 0.35 0.00 0.00 39.48 39.96 1x02 n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x02 n SER 17 N 0.04 1.35 0.06 -2.13 7.64 0.33 -3.03 113.62 117.88 1x02 n SER 17 Ca 0.11 0.34 -0.17 0.00 1.01 0.00 0.00 58.87 60.16 1x02 n SER 17 Cb 0.45 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.20 1x02 n SER 17 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1x02 h LEU 18 N 0.03 0.74 -0.13 -3.43 -0.00 -1.64 -3.31 115.31 107.57 1x02 h LEU 18 Ca -0.34 -0.60 -0.08 0.00 -0.00 0.00 0.00 57.88 56.86 1x02 h LEU 18 Cb 2.02 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 1x02 h LEU 18 CO 0.08 1.41 -0.25 -0.26 -0.00 0.00 0.00 178.44 179.42 1x02 h PHE 19 N 0.31 0.50 -2.33 0.17 0.04 -1.73 -3.40 116.94 110.50 1x02 h PHE 19 Ca -0.11 -0.18 -0.53 0.00 2.80 0.00 0.00 57.97 59.95 1x02 h PHE 19 Cb 1.67 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 39.67 1x02 h PHE 19 CO 0.08 0.86 1.20 0.34 -0.60 0.00 0.00 178.31 180.20 1x02 s ASP 20 N -6.30 5.77 -0.12 2.17 2.15 -1.17 -4.64 116.67 114.54 1x02 s ASP 20 Ca -0.14 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 1x02 s ASP 20 Cb 0.05 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.87 1x02 s ASP 20 CO 0.77 -2.02 0.44 0.11 -0.17 0.00 0.00 175.17 174.30 1x02 h LYS 21 N 12.42 0.25 -0.93 4.34 1.79 -1.82 -3.36 116.57 129.26 1x02 h LYS 21 Ca -0.27 -0.42 0.04 0.00 -2.18 0.00 0.00 60.65 57.82 1x02 h LYS 21 Cb 1.11 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.86 1x02 h LYS 21 CO 1.22 1.20 0.60 -0.44 -1.08 0.00 0.00 179.45 180.95 1x02 h ASP 22 N -0.16 0.98 0.00 0.86 3.32 -1.89 -3.46 116.42 116.07 1x02 h ASP 22 Ca -0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1x02 h ASP 22 Cb 1.88 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1x02 h ASP 22 CO 0.06 0.66 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1x02 n GLY 23 N -1.35 2.53 0.35 2.75 0.00 -1.26 -4.93 105.19 103.28 1x02 n GLY 23 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1x02 n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x02 h ASP 24 N 0.42 -1.06 0.00 1.61 3.04 -1.93 -3.45 116.42 115.05 1x02 h ASP 24 Ca 0.00 0.28 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1x02 h ASP 24 Cb 0.00 0.63 0.00 0.00 -1.04 0.00 0.00 39.33 38.92 1x02 h ASP 24 CO 0.00 -0.30 0.00 0.61 -2.04 0.00 0.00 179.24 177.51 1x02 n GLY 25 N -1.54 0.82 3.11 7.15 0.00 -1.26 -5.13 105.19 108.34 1x02 n GLY 25 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1x02 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 26 N -1.10 0.08 -0.19 2.61 -4.23 -1.26 -3.99 115.64 107.55 1x02 s THR 26 Ca 0.00 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1x02 s THR 26 Cb 0.00 -0.43 -0.02 0.00 1.34 0.00 0.00 72.50 73.39 1x02 s THR 26 CO 0.00 -0.35 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.08 1x02 s ILE 27 N -1.29 3.79 0.30 2.99 1.01 -0.02 -4.69 121.20 123.29 1x02 s ILE 27 Ca -0.14 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.25 1x02 s ILE 27 Cb -0.07 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1x02 s ILE 27 CO 0.02 0.44 -0.13 0.42 0.00 0.00 0.00 174.94 175.68 1x02 s THR 28 N 0.97 2.54 0.48 2.92 -4.23 -1.26 -2.60 115.64 114.47 1x02 s THR 28 Ca 0.01 -2.27 0.35 0.00 -1.18 0.00 0.00 61.69 58.61 1x02 s THR 28 Cb -0.14 -2.49 0.56 0.00 1.34 0.00 0.00 72.50 71.76 1x02 s THR 28 CO 0.01 -0.33 1.66 0.71 -0.54 0.00 0.00 174.62 176.13 1x02 h THR 29 N 2.13 0.18 -0.33 3.99 1.35 -1.95 1.44 112.91 119.72 1x02 h THR 29 Ca -0.41 -0.03 -0.12 0.00 -0.55 0.00 0.00 66.41 65.30 1x02 h THR 29 Cb 1.26 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1x02 h THR 29 CO 0.63 0.01 -0.28 0.50 -0.25 0.00 0.00 175.52 176.14 1x02 h LYS 30 N 0.08 0.67 0.00 4.72 1.63 -1.95 0.38 116.57 122.09 1x02 h LYS 30 Ca 0.78 -0.29 -0.09 0.00 -0.85 0.00 0.00 60.65 60.21 1x02 h LYS 30 Cb 2.72 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 34.32 1x02 h LYS 30 CO -0.23 0.88 -0.53 0.93 -3.45 0.00 0.00 179.45 177.05 1x02 h GLU 31 N 0.58 0.00 -0.60 1.90 5.08 0.14 -3.19 114.58 118.49 1x02 h GLU 31 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1x02 h GLU 31 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1x02 h GLU 31 CO 0.06 0.77 0.16 1.25 -1.00 0.00 0.00 179.01 180.25 1x02 h LEU 32 N -1.00 0.90 -1.35 1.33 5.85 -0.42 -2.24 115.31 118.38 1x02 h LEU 32 Ca -0.13 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1x02 h LEU 32 Cb 0.94 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1x02 h LEU 32 CO -0.08 0.89 0.00 1.23 -0.34 0.00 0.00 178.44 180.14 1x02 h GLY 33 N 0.87 0.00 1.64 3.75 0.00 -0.40 0.18 103.07 109.12 1x02 h GLY 33 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 1x02 h GLY 33 CO -0.00 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 175.69 1x02 h THR 34 N 0.00 0.77 0.01 4.70 1.03 -1.39 -3.22 112.91 114.81 1x02 h THR 34 Ca 0.00 -2.19 -0.37 0.00 -0.01 0.00 0.00 66.41 63.84 1x02 h THR 34 Cb 0.31 2.30 -0.07 0.00 -1.07 0.00 0.00 68.15 69.63 1x02 h THR 34 CO 0.00 0.44 -2.35 0.52 -0.01 0.00 0.00 175.52 174.12 1x02 n VAL 35 N -3.11 1.47 -0.27 0.00 0.31 -0.87 -4.06 118.33 111.80 1x02 n VAL 35 Ca -0.02 -0.72 -0.05 0.00 -0.01 0.00 0.00 64.34 63.54 1x02 n VAL 35 Cb 0.78 -0.97 0.06 0.00 -0.91 0.00 0.00 33.84 32.80 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N 0.00 1.02 0.00 5.55 2.86 -0.80 -1.50 114.93 122.07 1x02 h MET 36 Ca -0.53 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.00 1x02 h MET 36 Cb 2.08 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.52 1x02 h MET 36 CO -0.01 0.73 -0.04 0.07 1.06 0.00 0.00 176.91 178.72 1x02 h ARG 37 N 1.03 0.00 -0.35 1.72 -0.00 -1.76 -2.82 114.38 112.20 1x02 h ARG 37 Ca 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.20 1x02 h ARG 37 Cb -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.92 1x02 h ARG 37 CO -0.05 0.04 -0.00 1.03 -0.00 0.00 0.00 179.97 180.98 1x02 h SER 38 N 0.00 0.52 0.31 0.08 0.87 -1.41 -2.93 113.55 110.99 1x02 h SER 38 Ca -0.00 -0.10 -0.33 0.00 -1.23 0.00 0.00 61.79 60.13 1x02 h SER 38 Cb 0.55 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1x02 h SER 38 CO 0.00 0.59 -1.43 -0.07 -0.53 0.00 0.00 176.83 175.40 1x02 h LEU 39 N 0.53 0.79 0.00 2.23 3.38 -1.50 -3.48 115.31 117.26 1x02 h LEU 39 Ca 0.11 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1x02 h LEU 39 Cb 0.35 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1x02 h LEU 39 CO 0.01 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.80 1x02 n GLY 40 N 1.66 0.44 0.10 0.83 0.00 -1.11 -5.09 105.19 102.02 1x02 n GLY 40 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 1x02 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x02 n GLN 41 N 0.00 0.39 -3.42 1.61 1.13 -1.08 -5.02 117.38 110.98 1x02 n GLN 41 Ca 0.00 0.15 -0.18 0.00 -1.94 0.00 0.00 57.00 55.04 1x02 n GLN 41 Cb 0.00 -1.18 0.07 0.00 0.11 0.00 0.00 30.24 29.25 1x02 n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1x02 n ASN 42 N -3.95 -3.71 -4.77 1.08 2.85 -1.26 -4.94 115.26 100.55 1x02 n ASN 42 Ca -0.10 -0.70 -0.32 0.00 -0.11 0.00 0.00 54.58 53.34 1x02 n ASN 42 Cb 0.38 -4.91 0.07 0.00 1.24 0.00 0.00 39.78 36.56 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x02 s PRO 43 N -5.14 2.56 0.41 1.20 0.04 -1.26 -5.04 135.00 127.76 1x02 s PRO 43 Ca 0.19 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1x02 s PRO 43 Cb -0.03 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1x02 s PRO 43 CO 0.75 -1.42 0.62 0.95 0.04 0.00 0.00 177.00 177.94 1x02 s THR 44 N -2.57 4.40 0.26 1.26 -4.23 -1.26 -4.79 115.64 108.71 1x02 s THR 44 Ca 0.65 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 1x02 s THR 44 Cb -0.19 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.42 1x02 s THR 44 CO 0.48 -0.41 1.56 -0.33 -0.54 0.00 0.00 174.62 175.38 1x02 h GLU 45 N 0.55 -0.00 -0.93 3.99 5.08 -1.98 1.10 114.58 122.39 1x02 h GLU 45 Ca -0.47 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1x02 h GLU 45 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1x02 h GLU 45 CO 0.58 -0.00 0.60 0.00 -1.00 0.00 0.00 179.01 179.19 1x02 h ALA 46 N 1.80 1.53 0.07 3.43 0.00 -1.98 0.21 119.26 124.31 1x02 h ALA 46 Ca 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1x02 h ALA 46 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x02 h ALA 46 CO -0.99 0.31 -0.03 0.93 0.00 0.00 0.00 179.25 179.47 1x02 h GLU 47 N 1.02 -0.09 -0.40 0.00 5.08 0.72 -1.67 114.58 119.24 1x02 h GLU 47 Ca 0.41 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1x02 h GLU 47 Cb 0.27 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1x02 h GLU 47 CO -0.17 0.37 0.23 -0.07 -1.00 0.00 0.00 179.01 178.37 1x02 h LEU 48 N -0.59 0.36 -0.57 1.33 3.38 -0.34 0.69 115.31 119.58 1x02 h LEU 48 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x02 h LEU 48 Cb 0.50 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1x02 h LEU 48 CO 0.02 0.26 0.34 1.56 0.09 0.00 0.00 178.44 180.71 1x02 h GLN 49 N 0.46 0.77 -0.63 1.13 1.08 -0.65 0.12 115.11 117.39 1x02 h GLN 49 Ca 0.16 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1x02 h GLN 49 Cb 0.02 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1x02 h GLN 49 CO -0.08 0.55 0.15 -0.44 -0.95 0.00 0.00 178.83 178.07 1x02 h ASP 50 N 0.76 0.95 -0.28 1.46 3.32 -0.91 0.38 116.42 122.11 1x02 h ASP 50 Ca 0.20 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1x02 h ASP 50 Cb -0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1x02 h ASP 50 CO -0.04 0.94 -0.05 0.24 -1.72 0.00 0.00 179.24 178.61 1x02 h MET 51 N 0.92 0.52 -0.37 3.56 2.86 -0.52 -1.55 114.93 120.35 1x02 h MET 51 Ca 0.20 -0.19 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 1x02 h MET 51 Cb 0.36 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1x02 h MET 51 CO 0.00 0.71 -0.42 0.82 1.06 0.00 0.00 176.91 179.09 1x02 h ILE 52 N 0.29 1.27 -0.55 -1.22 2.04 -0.66 -3.08 117.51 115.60 1x02 h ILE 52 Ca 0.07 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.30 1x02 h ILE 52 Cb 0.51 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1x02 h ILE 52 CO 0.02 0.53 0.18 0.78 0.00 0.00 0.00 178.15 179.66 1x02 h ASN 53 N 0.76 0.75 -0.95 1.72 2.35 -0.20 0.35 115.58 120.35 1x02 h ASN 53 Ca 0.05 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1x02 h ASN 53 Cb 1.02 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.15 1x02 h ASN 53 CO 0.10 0.71 0.58 -0.33 -1.65 0.00 0.00 177.43 176.83 1x02 h GLU 54 N 0.80 1.30 0.13 0.81 4.39 -1.19 -2.90 114.58 117.90 1x02 h GLU 54 Ca 0.18 -0.12 -0.30 0.00 0.34 0.00 0.00 59.36 59.46 1x02 h GLU 54 Cb 0.23 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1x02 h GLU 54 CO -0.01 0.90 -1.48 0.28 -1.16 0.00 0.00 179.01 177.55 1x02 h VAL 55 N 1.32 1.22 -0.29 3.13 2.07 -1.39 -3.45 116.25 118.85 1x02 h VAL 55 Ca 0.34 -2.84 -0.59 0.00 0.82 0.00 0.00 66.70 64.43 1x02 h VAL 55 Cb -0.06 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 1x02 h VAL 55 CO -0.06 0.83 1.58 -0.67 0.02 0.00 0.00 177.57 179.27 1x02 n ASP 56 N -3.48 0.84 0.00 0.57 2.03 0.12 -4.82 116.55 111.82 1x02 n ASP 56 Ca -0.15 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1x02 n ASP 56 Cb 1.04 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 n ALA 57 N 10.13 0.00 -0.32 -1.67 0.00 -1.26 -4.28 120.51 123.11 1x02 n ALA 57 Ca 0.57 -0.07 0.30 0.00 0.00 0.00 0.00 53.44 54.24 1x02 n ALA 57 Cb 0.09 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.09 1x02 n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1x02 h ASP 58 N 0.00 0.31 -0.06 0.00 3.04 -1.95 -3.44 116.42 114.31 1x02 h ASP 58 Ca 0.00 0.25 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1x02 h ASP 58 Cb 0.00 0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1x02 h ASP 58 CO 0.00 -0.39 0.00 0.61 -2.04 0.00 0.00 179.24 177.42 1x02 n GLY 59 N -1.28 1.27 0.13 7.15 0.00 -1.26 -5.03 105.19 106.18 1x02 n GLY 59 Ca 0.36 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 1x02 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 60 N 0.15 1.83 0.00 1.61 6.94 -1.26 -5.03 115.26 119.50 1x02 n ASN 60 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1x02 n ASN 60 Cb 0.04 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 61 N 2.15 1.01 3.63 4.83 0.00 -1.26 -5.11 105.19 110.43 1x02 n GLY 61 Ca -0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N -0.52 3.91 0.22 2.61 -4.23 -1.26 -4.73 115.64 111.65 1x02 s THR 62 Ca 0.00 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 1x02 s THR 62 Cb 0.00 -2.66 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 1x02 s THR 62 CO 0.00 0.52 1.21 -0.63 -0.54 0.00 0.00 174.62 175.18 1x02 s ILE 63 N -0.91 3.39 0.30 2.99 1.01 -1.07 -4.83 121.20 122.08 1x02 s ILE 63 Ca 0.15 1.23 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1x02 s ILE 63 Cb -0.11 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1x02 s ILE 63 CO 0.04 0.23 0.31 0.47 0.00 0.00 0.00 174.94 175.99 1x02 n ASP 64 N 2.07 1.55 0.01 3.58 8.00 -1.26 -0.84 116.55 129.66 1x02 n ASP 64 Ca 0.03 -1.91 -0.12 0.00 0.71 0.00 0.00 54.79 53.50 1x02 n ASP 64 Cb 0.44 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1x02 h PHE 65 N 0.34 0.06 -0.17 1.24 3.04 -1.97 0.10 116.94 119.59 1x02 h PHE 65 Ca -0.17 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.72 1x02 h PHE 65 Cb 0.67 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1x02 h PHE 65 CO 0.00 0.09 -0.16 -1.00 -2.02 0.00 0.00 178.31 175.22 1x02 h PRO 66 N 0.01 0.40 -0.73 6.41 0.13 -1.96 -3.23 132.00 133.03 1x02 h PRO 66 Ca 0.02 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1x02 h PRO 66 Cb 0.05 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1x02 h PRO 66 CO -0.00 0.77 0.37 0.93 -0.23 0.00 0.00 178.00 179.84 1x02 h GLU 67 N 0.05 1.04 -0.83 0.86 5.08 -1.90 -2.70 114.58 116.19 1x02 h GLU 67 Ca 0.03 -0.14 0.18 0.00 -1.00 0.00 0.00 59.36 58.42 1x02 h GLU 67 Cb 0.70 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1x02 h GLU 67 CO 0.04 0.80 0.34 0.35 -1.00 0.00 0.00 179.01 179.54 1x02 h PHE 68 N 1.02 0.58 -1.12 4.33 3.57 -0.81 0.20 116.94 124.72 1x02 h PHE 68 Ca 0.25 0.04 0.31 0.00 3.53 0.00 0.00 57.97 62.10 1x02 h PHE 68 Cb 0.08 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.62 1x02 h PHE 68 CO 0.00 0.02 0.75 -0.07 -2.23 0.00 0.00 178.31 176.79 1x02 h LEU 69 N 0.44 0.25 -0.29 0.59 3.38 -1.50 0.21 115.31 118.39 1x02 h LEU 69 Ca 0.48 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.47 1x02 h LEU 69 Cb 0.81 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1x02 h LEU 69 CO -0.46 0.03 0.04 0.74 0.09 0.00 0.00 178.44 178.88 1x02 h THR 70 N 0.21 1.23 -0.31 0.22 2.02 -0.72 -2.90 112.91 112.67 1x02 h THR 70 Ca 0.60 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1x02 h THR 70 Cb 1.89 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1x02 h THR 70 CO -0.19 0.26 0.11 -0.03 0.37 0.00 0.00 175.52 176.04 1x02 h MET 71 N 0.30 0.47 -1.00 6.66 1.85 -0.65 -2.67 114.93 119.90 1x02 h MET 71 Ca 0.09 -0.09 0.22 0.00 -0.61 0.00 0.00 59.70 59.30 1x02 h MET 71 Cb 0.34 -0.07 -0.10 0.00 0.43 0.00 0.00 31.60 32.20 1x02 h MET 71 CO 0.01 0.50 0.62 0.52 -0.40 0.00 0.00 176.91 178.16 1x02 h MET 72 N 0.35 0.57 -0.01 0.39 2.07 -1.25 0.78 114.93 117.84 1x02 h MET 72 Ca 0.10 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1x02 h MET 72 Cb 0.22 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 1x02 h MET 72 CO -0.01 0.38 -0.00 0.00 1.07 0.00 0.00 176.91 178.35 1x02 h ALA 73 N 1.65 0.01 -0.24 6.32 0.00 -1.28 0.16 119.26 125.88 1x02 h ALA 73 Ca 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x02 h ALA 73 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x02 h ALA 73 CO -0.34 -0.28 0.00 2.89 0.00 0.00 0.00 179.25 181.52 1x02 n ARG 74 N -4.88 2.03 0.00 0.00 1.85 -0.44 -3.69 116.66 111.52 1x02 n ARG 74 Ca -0.08 -1.07 0.00 0.00 -1.00 0.00 0.00 57.85 55.70 1x02 n ARG 74 Cb 0.21 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1x02 n LYS 75 N 0.26 2.87 -0.36 2.89 3.00 0.26 -4.71 118.16 122.38 1x02 n LYS 75 Ca 0.10 0.00 0.27 0.00 -0.00 0.00 0.00 58.31 58.68 1x02 n LYS 75 Cb 0.41 -0.97 0.53 0.00 0.00 0.00 0.00 35.03 34.99 1x02 n LYS 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1x02 h MET 76 N 0.00 0.26 -0.52 1.64 2.86 -0.75 0.96 114.93 119.38 1x02 h MET 76 Ca 0.00 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1x02 h MET 76 Cb 0.94 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1x02 h MET 76 CO 0.00 0.17 0.12 1.57 1.06 0.00 0.00 176.91 179.83 1x02 h LYS 77 N 0.27 0.79 -0.31 1.72 5.09 -1.84 0.31 116.57 122.60 1x02 h LYS 77 Ca 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 60.65 61.31 1x02 h LYS 77 Cb 1.88 -0.12 -0.02 0.00 0.10 0.00 0.00 32.23 34.08 1x02 h LYS 77 CO -0.53 0.72 0.16 -0.44 -2.09 0.00 0.00 179.45 177.28 1x02 h ASP 78 N 0.77 0.37 -0.33 7.07 5.19 0.67 -1.83 116.42 128.32 1x02 h ASP 78 Ca 0.17 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1x02 h ASP 78 Cb 0.30 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1x02 h ASP 78 CO -0.00 0.31 0.00 0.41 -3.12 0.00 0.00 179.24 176.84 1x02 n THR 79 N -4.45 0.62 -0.34 0.35 -1.04 -0.88 -4.61 114.28 103.93 1x02 n THR 79 Ca 0.02 -0.81 0.32 0.00 -2.04 0.00 0.00 64.05 61.54 1x02 n THR 79 Cb 0.10 0.82 0.59 0.00 -1.82 0.00 0.00 70.33 70.02 1x02 n THR 79 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1x02 h ASP 80 N 3.12 0.32 -1.09 8.00 3.58 0.49 0.19 116.42 131.03 1x02 h ASP 80 Ca 0.00 0.24 0.36 0.00 0.42 0.00 0.00 57.03 58.05 1x02 h ASP 80 Cb 0.79 0.24 -0.09 0.00 1.72 0.00 0.00 39.33 41.98 1x02 h ASP 80 CO 0.00 -0.38 0.72 -1.20 -2.88 0.00 0.00 179.24 175.50 1x02 n SER 81 N -5.15 0.13 -0.27 2.28 7.64 -1.26 -0.82 113.62 116.16 1x02 n SER 81 Ca 0.38 0.97 -0.04 0.00 1.01 0.00 0.00 58.87 61.19 1x02 n SER 81 Cb 1.30 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 1x02 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1x02 n GLU 82 N -4.03 -0.22 -0.03 1.43 2.13 0.65 0.11 120.64 120.69 1x02 n GLU 82 Ca 0.30 1.03 -0.08 0.00 0.66 0.00 0.00 57.16 59.06 1x02 n GLU 82 Cb 1.21 -1.52 -0.02 0.00 0.27 0.00 0.00 31.44 31.38 1x02 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x02 h GLU 83 N 0.00 -0.17 -1.69 5.31 5.08 -1.24 -0.43 114.58 121.44 1x02 h GLU 83 Ca 0.18 0.01 0.50 0.00 -1.00 0.00 0.00 59.36 59.05 1x02 h GLU 83 Cb 0.35 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 1x02 h GLU 83 CO -0.65 -0.11 1.19 0.93 -1.00 0.00 0.00 179.01 179.37 1x02 h GLU 84 N -0.17 0.02 0.09 2.33 4.39 0.58 1.41 114.58 123.22 1x02 h GLU 84 Ca 0.12 -0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.52 1x02 h GLU 84 Cb 0.34 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1x02 h GLU 84 CO -0.29 0.01 -1.52 0.82 -1.16 0.00 0.00 179.01 176.87 1x02 h ILE 85 N 0.02 1.15 -0.66 3.13 2.04 -0.77 -3.37 117.51 119.06 1x02 h ILE 85 Ca 0.85 -2.83 0.11 0.00 1.00 0.00 0.00 64.86 63.99 1x02 h ILE 85 Cb 3.24 2.71 -0.12 0.00 -0.74 0.00 0.00 36.82 41.91 1x02 h ILE 85 CO -0.11 0.79 -0.36 0.03 0.00 0.00 0.00 178.15 178.51 1x02 h ARG 86 N 0.05 -0.14 -0.99 2.37 2.47 0.25 0.13 114.38 118.53 1x02 h ARG 86 Ca -0.23 0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.68 1x02 h ARG 86 Cb 1.99 0.03 -0.18 0.00 -1.65 0.00 0.00 29.97 30.16 1x02 h ARG 86 CO 0.14 -0.09 -0.29 0.39 0.56 0.00 0.00 179.97 180.69 1x02 n GLU 87 N -5.44 -0.13 -0.09 0.04 -0.58 -1.16 0.42 120.64 113.71 1x02 n GLU 87 Ca 0.05 1.54 -0.07 0.00 -0.42 0.00 0.00 57.16 58.25 1x02 n GLU 87 Cb 0.36 -2.29 -0.00 0.00 -0.57 0.00 0.00 31.44 28.94 1x02 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x02 h ALA 88 N 1.81 0.36 -0.91 0.62 0.00 -1.19 -2.18 119.26 117.76 1x02 h ALA 88 Ca 0.44 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.52 1x02 h ALA 88 Cb 0.69 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1x02 h ALA 88 CO -1.01 -0.28 0.52 0.35 0.00 0.00 0.00 179.25 178.84 1x02 h PHE 89 N 0.26 0.93 0.21 0.00 3.57 0.32 -2.01 116.94 120.22 1x02 h PHE 89 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1x02 h PHE 89 Cb 0.09 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1x02 h PHE 89 CO -0.13 0.28 -0.16 0.00 -2.23 0.00 0.00 178.31 176.08 1x02 h ARG 90 N 0.77 -0.36 -0.79 1.11 3.08 -0.61 -2.38 114.38 115.19 1x02 h ARG 90 Ca 0.48 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.68 1x02 h ARG 90 Cb 0.62 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.62 1x02 h ARG 90 CO -0.33 -0.24 -0.39 0.28 -1.07 0.00 0.00 179.97 178.23 1x02 h VAL 91 N -0.37 0.07 -0.68 2.04 2.07 -1.06 0.24 116.25 118.56 1x02 h VAL 91 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1x02 h VAL 91 Cb 0.33 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1x02 h VAL 91 CO -0.00 0.00 0.38 -0.26 0.02 0.00 0.00 177.57 177.71 1x02 h PHE 92 N -0.09 0.70 -2.20 1.57 0.04 -1.39 -3.37 116.94 112.21 1x02 h PHE 92 Ca 0.27 0.02 -0.52 0.00 2.80 0.00 0.00 57.97 60.55 1x02 h PHE 92 Cb 0.57 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.44 1x02 h PHE 92 CO -0.78 0.34 1.21 0.34 -0.60 0.00 0.00 178.31 178.82 1x02 s ASP 93 N -5.61 5.73 -0.01 2.17 2.15 0.85 -4.17 116.67 117.78 1x02 s ASP 93 Ca -0.13 -0.02 -0.15 0.00 0.43 0.00 0.00 52.55 52.68 1x02 s ASP 93 Cb 0.16 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.15 1x02 s ASP 93 CO 0.76 -2.09 0.74 0.11 -0.17 0.00 0.00 175.17 174.52 1x02 h LYS 94 N 12.49 -0.52 -0.81 4.34 1.57 -1.75 -3.29 116.57 128.60 1x02 h LYS 94 Ca -0.27 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1x02 h LYS 94 Cb 1.11 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 1x02 h LYS 94 CO 1.24 -0.35 0.41 0.38 -0.57 0.00 0.00 179.45 180.56 1x02 h ASP 95 N -0.92 0.50 -0.83 0.86 2.03 -1.93 -3.47 116.42 112.66 1x02 h ASP 95 Ca -0.06 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1x02 h ASP 95 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1x02 h ASP 95 CO 0.09 0.23 0.00 0.61 -1.03 0.00 0.00 179.24 179.15 1x02 n GLY 96 N -1.32 0.82 0.20 7.15 0.00 -1.24 -5.02 105.19 105.78 1x02 n GLY 96 Ca 0.15 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1x02 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 97 N 0.48 2.16 0.00 1.61 6.94 -1.26 -5.06 115.26 120.13 1x02 n ASN 97 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 1x02 n ASN 97 Cb 0.32 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 2.34 2.30 3.84 4.83 0.00 -1.26 -5.13 105.19 112.12 1x02 n GLY 98 Ca -0.34 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1x02 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x02 s TYR 99 N 0.00 3.73 -0.39 1.61 1.51 -1.26 -3.14 117.35 119.40 1x02 s TYR 99 Ca 0.00 1.01 -0.07 0.00 -1.01 0.00 0.00 57.07 57.00 1x02 s TYR 99 Cb 0.00 -2.30 0.07 0.00 -0.11 0.00 0.00 41.96 39.62 1x02 s TYR 99 CO 0.00 0.64 0.20 0.42 -1.11 0.00 0.00 175.55 175.70 1x02 s ILE 100 N -1.10 3.96 1.13 2.71 1.01 -0.84 -4.86 121.20 123.22 1x02 s ILE 100 Ca 0.25 -1.40 -0.16 0.00 0.00 0.00 0.00 60.65 59.34 1x02 s ILE 100 Cb -0.17 -3.40 0.25 0.00 0.01 0.00 0.00 42.46 39.15 1x02 s ILE 100 CO 0.14 -0.43 1.08 -0.94 0.00 0.00 0.00 174.94 174.79 1x02 s SER 101 N 1.86 1.47 0.08 3.58 1.04 -1.26 -0.88 113.70 119.60 1x02 s SER 101 Ca 0.02 0.97 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 1x02 s SER 101 Cb -0.22 -1.47 -0.09 0.00 0.10 0.00 0.00 66.02 64.35 1x02 s SER 101 CO 0.01 -3.82 1.47 0.00 0.98 0.00 0.00 173.24 171.89 1x02 h ALA 102 N -2.37 0.35 -0.20 5.32 0.00 -1.99 -2.84 119.26 117.53 1x02 h ALA 102 Ca -0.51 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1x02 h ALA 102 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1x02 h ALA 102 CO 0.46 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.99 1x02 h ALA 103 N 0.76 0.26 0.09 0.00 0.00 -1.95 0.20 119.26 118.63 1x02 h ALA 103 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x02 h ALA 103 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x02 h ALA 103 CO 0.03 -0.20 -0.28 0.93 0.00 0.00 0.00 179.25 179.72 1x02 h GLU 104 N 0.22 -0.41 -0.59 0.00 5.08 -1.90 -1.98 114.58 115.01 1x02 h GLU 104 Ca 0.07 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1x02 h GLU 104 Cb 0.07 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1x02 h GLU 104 CO -0.01 -0.27 0.36 1.25 -1.00 0.00 0.00 179.01 179.34 1x02 h LEU 105 N -0.42 0.59 -0.85 1.33 6.46 -1.52 -2.67 115.31 118.23 1x02 h LEU 105 Ca -0.01 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.93 1x02 h LEU 105 Cb 0.41 -0.12 -0.16 0.00 -0.73 0.00 0.00 40.66 40.06 1x02 h LEU 105 CO -0.14 0.41 -0.20 -0.09 -0.62 0.00 0.00 178.44 177.80 1x02 h ARG 106 N 0.72 0.00 0.33 1.25 2.43 -0.27 0.06 114.38 118.90 1x02 h ARG 106 Ca 0.24 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1x02 h ARG 106 Cb 0.01 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1x02 h ARG 106 CO -0.10 0.00 -0.29 1.25 -1.51 0.00 0.00 179.97 179.33 1x02 h HIS 107 N 0.00 -0.77 -0.86 2.20 2.76 -1.00 -2.48 115.15 115.00 1x02 h HIS 107 Ca 0.41 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.75 1x02 h HIS 107 Cb 0.63 0.29 -0.16 0.00 1.55 0.00 0.00 27.41 29.73 1x02 h HIS 107 CO -0.66 -0.42 -0.23 0.28 -1.30 0.00 0.00 177.93 175.60 1x02 h VAL 108 N -0.63 0.13 0.34 5.26 2.07 -0.95 -0.18 116.25 122.28 1x02 h VAL 108 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1x02 h VAL 108 Cb 0.57 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1x02 h VAL 108 CO -0.03 0.00 -0.34 0.24 0.02 0.00 0.00 177.57 177.46 1x02 h MET 109 N -0.00 -0.68 -0.96 1.57 2.86 -1.10 -2.83 114.93 113.79 1x02 h MET 109 Ca 0.41 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 58.25 1x02 h MET 109 Cb 0.63 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 32.28 1x02 h MET 109 CO -0.89 -0.45 -0.36 1.15 1.06 0.00 0.00 176.91 177.42 1x02 h THR 110 N -0.71 0.02 -0.97 2.22 2.02 -0.59 0.54 112.91 115.44 1x02 h THR 110 Ca -0.02 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.47 1x02 h THR 110 Cb 0.64 0.02 -0.17 0.00 -1.74 0.00 0.00 68.15 66.90 1x02 h THR 110 CO -0.06 0.00 0.26 0.78 0.37 0.00 0.00 175.52 176.86 1x02 h ASN 111 N -0.01 -0.08 -0.93 4.18 2.35 -1.18 0.40 115.58 120.30 1x02 h ASN 111 Ca 0.36 0.25 0.38 0.00 -0.55 0.00 0.00 56.30 56.74 1x02 h ASN 111 Cb 0.62 0.36 -0.17 0.00 0.05 0.00 0.00 38.32 39.18 1x02 h ASN 111 CO -0.97 -0.33 0.46 0.18 -1.65 0.00 0.00 177.43 175.11 1x02 n LEU 112 N -5.34 0.29 0.00 1.61 4.77 0.19 -4.68 117.00 113.83 1x02 n LEU 112 Ca 0.28 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.81 1x02 n LEU 112 Cb 0.92 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1x02 n LEU 112 CO -0.01 -1.72 0.00 0.61 -1.33 0.00 0.00 177.39 174.94 1x02 n GLY 113 N -1.26 0.87 3.25 -0.72 0.00 0.14 -5.16 105.19 102.30 1x02 n GLY 113 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1x02 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x02 s GLU 114 N 0.00 1.06 -0.54 1.61 0.41 -1.03 -5.12 118.70 115.09 1x02 s GLU 114 Ca 0.00 -1.33 -0.05 0.00 -0.41 0.00 0.00 54.97 53.18 1x02 s GLU 114 Cb 0.00 0.31 0.14 0.00 -1.78 0.00 0.00 34.13 32.80 1x02 s GLU 114 CO 0.00 -0.35 0.37 0.15 -0.49 0.00 0.00 175.26 174.94 1x02 s LYS 115 N -4.02 2.44 0.31 1.61 1.02 -1.26 -4.46 119.74 115.39 1x02 s LYS 115 Ca 0.22 -2.15 0.05 0.00 0.02 0.00 0.00 55.97 54.11 1x02 s LYS 115 Cb 0.05 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1x02 s LYS 115 CO 0.02 -1.16 0.46 -0.51 -0.92 0.00 0.00 175.35 173.24 1x02 s LEU 116 N 0.62 4.07 0.25 3.17 1.43 -1.26 -5.11 118.68 121.85 1x02 s LEU 116 Ca 0.12 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1x02 s LEU 116 Cb -0.22 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1x02 s LEU 116 CO -0.03 -0.32 0.03 0.42 0.23 0.00 0.00 176.35 176.68 1x02 s THR 117 N -2.15 0.92 0.35 5.49 -4.23 -1.26 -4.98 115.64 109.77 1x02 s THR 117 Ca 0.41 -2.02 0.17 0.00 -1.18 0.00 0.00 61.69 59.08 1x02 s THR 117 Cb -0.09 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.60 1x02 s THR 117 CO 0.31 -0.19 1.53 -0.67 -0.54 0.00 0.00 174.62 175.07 1x02 n ASP 118 N -0.47 0.26 0.07 3.99 -0.08 -1.26 0.69 116.55 119.75 1x02 n ASP 118 Ca -0.03 1.62 -0.13 0.00 -1.51 0.00 0.00 54.79 54.74 1x02 n ASP 118 Cb 0.65 -0.75 -0.08 0.00 2.34 0.00 0.00 41.12 43.28 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1x02 h GLU 119 N 0.00 -0.10 -0.21 -0.67 4.39 -1.98 0.29 114.58 116.29 1x02 h GLU 119 Ca 0.78 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.55 1x02 h GLU 119 Cb 2.01 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.62 1x02 h GLU 119 CO -0.78 0.02 -0.22 0.93 -1.16 0.00 0.00 179.01 177.80 1x02 h GLU 120 N -0.21 -0.23 -0.64 2.33 4.39 -0.12 -1.90 114.58 118.20 1x02 h GLU 120 Ca -0.01 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1x02 h GLU 120 Cb 0.17 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1x02 h GLU 120 CO 0.02 -0.15 0.06 0.28 -1.16 0.00 0.00 179.01 178.05 1x02 h VAL 121 N -0.24 1.26 -0.85 3.13 2.07 -1.31 -3.01 116.25 117.31 1x02 h VAL 121 Ca 0.13 -1.10 0.22 0.00 0.82 0.00 0.00 66.70 66.77 1x02 h VAL 121 Cb 0.44 0.71 -0.14 0.00 -1.52 0.00 0.00 31.29 30.77 1x02 h VAL 121 CO -0.35 0.41 0.15 0.44 0.02 0.00 0.00 177.57 178.24 1x02 h ASP 122 N 1.01 -0.13 -0.37 0.57 3.32 0.38 0.87 116.42 122.08 1x02 h ASP 122 Ca 0.19 0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.49 1x02 h ASP 122 Cb 0.50 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1x02 h ASP 122 CO 0.02 -0.17 0.25 -0.33 -1.72 0.00 0.00 179.24 177.29 1x02 h GLU 123 N 0.17 0.28 0.05 3.56 5.08 -1.33 -1.84 114.58 120.55 1x02 h GLU 123 Ca 0.51 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1x02 h GLU 123 Cb 0.99 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1x02 h GLU 123 CO -0.67 0.18 -0.03 1.98 -1.00 0.00 0.00 179.01 179.48 1x02 h MET 124 N 0.29 -0.07 -0.88 2.33 4.05 0.61 -3.26 114.93 118.00 1x02 h MET 124 Ca 0.16 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.77 1x02 h MET 124 Cb 0.27 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.02 1x02 h MET 124 CO -0.03 0.54 0.58 0.82 0.23 0.00 0.00 176.91 179.05 1x02 h ILE 125 N -0.79 0.72 0.00 1.77 1.08 -0.87 0.63 117.51 120.05 1x02 h ILE 125 Ca -0.01 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1x02 h ILE 125 Cb 0.64 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1x02 h ILE 125 CO 0.01 0.09 0.00 -2.11 -0.69 0.00 0.00 178.15 175.45 1x02 n ARG 126 N -4.52 1.00 -0.02 2.37 1.85 -0.72 -0.46 116.66 116.15 1x02 n ARG 126 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.01 1x02 n ARG 126 Cb 0.63 -1.19 -0.03 0.00 -1.05 0.00 0.00 32.46 30.82 1x02 n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1x02 n GLU 127 N -0.31 1.74 -0.07 2.89 2.13 0.22 -4.80 120.64 122.44 1x02 n GLU 127 Ca 0.00 0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.75 1x02 n GLU 127 Cb 0.09 -1.09 -0.09 0.00 0.27 0.00 0.00 31.44 30.62 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x02 n ALA 128 N -2.39 1.68 -1.62 4.31 0.00 -1.06 -4.82 120.51 116.61 1x02 n ALA 128 Ca -0.07 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 1x02 n ALA 128 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1x02 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x02 s ASP 129 N -4.88 5.39 -0.15 0.00 2.15 0.39 -4.78 116.67 114.78 1x02 s ASP 129 Ca -0.11 1.80 -0.16 0.00 0.43 0.00 0.00 52.55 54.50 1x02 s ASP 129 Cb 0.04 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1x02 s ASP 129 CO 0.47 -2.03 -0.31 -0.38 -0.17 0.00 0.00 175.17 172.75 1x02 n ILE 130 N 7.77 1.45 -0.37 4.11 5.41 -1.26 -4.53 119.36 131.94 1x02 n ILE 130 Ca 0.30 0.17 0.28 0.00 1.00 0.00 0.00 62.75 64.50 1x02 n ILE 130 Cb 0.46 -2.26 0.55 0.00 -0.71 0.00 0.00 39.64 37.68 1x02 n ILE 130 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1x02 h ASP 131 N -0.89 0.39 -1.43 4.38 3.04 -1.93 -3.45 116.42 116.53 1x02 h ASP 131 Ca 0.00 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1x02 h ASP 131 Cb 0.89 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.26 1x02 h ASP 131 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.75 1x02 n GLY 132 N -1.45 0.78 0.15 7.15 0.00 -1.26 -5.02 105.19 105.54 1x02 n GLY 132 Ca 0.31 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.89 1x02 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 133 N -0.72 0.72 -1.38 1.61 5.68 -1.26 -4.99 116.55 116.22 1x02 n ASP 133 Ca 0.00 -1.78 -0.16 0.00 -0.50 0.00 0.00 54.79 52.35 1x02 n ASP 133 Cb 0.27 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 134 N -0.30 0.98 3.35 6.12 0.00 -1.26 -4.99 105.19 109.09 1x02 n GLY 134 Ca 0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -3.79 1.35 -0.42 1.61 -0.21 -1.26 -4.02 119.66 112.92 1x02 s GLN 135 Ca 0.00 -1.63 0.02 0.00 0.02 0.00 0.00 55.36 53.77 1x02 s GLN 135 Cb 0.00 -1.02 0.15 0.00 1.00 0.00 0.00 33.01 33.14 1x02 s GLN 135 CO 0.00 0.11 0.27 0.08 -2.12 0.00 0.00 175.29 173.63 1x02 s VAL 136 N -3.07 0.84 1.04 1.09 1.01 -0.06 -4.48 120.40 116.77 1x02 s VAL 136 Ca 0.24 -2.40 -0.17 0.00 0.00 0.00 0.00 61.98 59.65 1x02 s VAL 136 Cb 0.01 -1.59 0.22 0.00 0.00 0.00 0.00 36.38 35.03 1x02 s VAL 136 CO 0.07 -1.01 1.24 0.54 0.00 0.00 0.00 175.10 175.94 1x02 s ASN 137 N 0.41 2.44 0.16 3.32 2.20 -1.26 -1.98 114.94 120.23 1x02 s ASN 137 Ca 0.22 0.44 -0.23 0.00 -0.94 0.00 0.00 52.86 52.35 1x02 s ASN 137 Cb -0.16 -0.58 0.04 0.00 -2.00 0.00 0.00 41.25 38.54 1x02 s ASN 137 CO -0.05 -3.17 1.62 0.22 -2.94 0.00 0.00 177.10 172.78 1x02 h TYR 138 N -1.93 -0.74 -0.11 1.54 3.20 -1.94 0.28 116.97 117.27 1x02 h TYR 138 Ca -0.45 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.51 1x02 h TYR 138 Cb 1.26 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 39.84 1x02 h TYR 138 CO -1.37 -0.35 -0.41 1.49 -1.64 0.00 0.00 178.16 175.88 1x02 h GLU 139 N -0.26 -0.48 -1.00 1.82 4.22 -1.92 0.49 114.58 117.45 1x02 h GLU 139 Ca 0.15 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.68 1x02 h GLU 139 Cb 0.49 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1x02 h GLU 139 CO -0.44 -0.32 0.64 0.93 -2.18 0.00 0.00 179.01 177.64 1x02 h GLU 140 N -0.50 1.16 -0.41 1.92 5.08 -1.73 -1.47 114.58 118.64 1x02 h GLU 140 Ca 0.07 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1x02 h GLU 140 Cb 0.62 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1x02 h GLU 140 CO -0.38 0.77 -0.09 0.35 -1.00 0.00 0.00 179.01 178.66 1x02 h PHE 141 N 1.19 0.77 -0.39 4.33 3.57 0.74 -2.49 116.94 124.66 1x02 h PHE 141 Ca 0.42 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1x02 h PHE 141 Cb 0.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1x02 h PHE 141 CO -0.00 0.77 0.16 0.28 -2.23 0.00 0.00 178.31 177.28 1x02 h VAL 142 N 0.65 1.19 0.57 1.41 2.07 0.95 -2.51 116.25 120.58 1x02 h VAL 142 Ca 0.12 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1x02 h VAL 142 Cb 0.53 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1x02 h VAL 142 CO 0.03 0.21 -0.27 1.56 0.02 0.00 0.00 177.57 179.12 1x02 h GLN 143 N 0.49 -0.74 -0.45 1.57 1.08 -1.26 -2.87 115.11 112.93 1x02 h GLN 143 Ca 0.13 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 1x02 h GLN 143 Cb 0.19 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 1x02 h GLN 143 CO -0.01 -0.46 -0.49 1.98 -0.95 0.00 0.00 178.83 178.90 1x02 h MET 144 N -0.83 -0.32 -0.95 1.46 1.85 -1.44 0.15 114.93 114.85 1x02 h MET 144 Ca -0.08 0.02 0.28 0.00 -0.61 0.00 0.00 59.70 59.32 1x02 h MET 144 Cb 0.61 0.07 -0.15 0.00 0.43 0.00 0.00 31.60 32.57 1x02 h MET 144 CO 0.13 -0.22 0.43 0.52 -0.40 0.00 0.00 176.91 177.37 1x02 h MET 145 N -0.34 0.27 -0.99 0.39 2.86 -1.43 0.55 114.93 116.24 1x02 h MET 145 Ca 0.12 -0.02 -0.66 0.00 -2.06 0.00 0.00 59.70 57.08 1x02 h MET 145 Cb 0.59 -0.06 -0.29 0.00 0.06 0.00 0.00 31.60 31.89 1x02 h MET 145 CO -0.61 0.18 0.82 0.25 1.06 0.00 0.00 176.91 178.61 1x02 n THR 146 N -5.12 3.58 -3.25 2.22 -2.24 0.46 -4.82 114.28 105.10 1x02 n THR 146 Ca 0.27 -2.89 0.04 0.00 -2.27 0.00 0.00 64.05 59.20 1x02 n THR 146 Cb 0.86 -1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x02 s ALA 147 N -3.79 -2.89 -1.53 6.98 0.00 0.19 -4.97 121.76 115.76 1x02 s ALA 147 Ca 0.64 1.76 0.12 0.00 0.00 0.00 0.00 51.96 54.49 1x02 s ALA 147 Cb 0.51 -2.25 0.10 0.00 0.00 0.00 0.00 23.12 21.47 1x02 s ALA 147 CO -0.00 -1.24 0.89 1.17 0.00 0.00 0.00 175.76 176.57