#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 0.24 -0.95 0.00 3.32 -2.12 -2.24 116.42 114.67 1x02 h ASP 2 Ca 0.00 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.45 1x02 h ASP 2 Cb 0.00 -0.06 -0.24 0.00 0.22 0.00 0.00 39.33 39.25 1x02 h ASP 2 CO 0.00 0.22 0.75 0.00 -1.72 0.00 0.00 179.24 178.49 1x02 n GLN 3 N -4.45 2.44 -3.24 3.56 1.13 -1.26 -4.77 117.38 110.79 1x02 n GLN 3 Ca -0.00 -2.79 -0.02 0.00 -1.94 0.00 0.00 57.00 52.25 1x02 n GLN 3 Cb 0.12 -2.09 -0.04 0.00 0.11 0.00 0.00 30.24 28.34 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1x02 s LEU 4 N -3.22 -1.12 0.00 1.08 1.43 -0.84 -5.04 118.68 110.97 1x02 s LEU 4 Ca 0.54 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1x02 s LEU 4 Cb 0.42 1.62 -0.00 0.00 0.03 0.00 0.00 46.19 48.26 1x02 s LEU 4 CO -0.06 -0.30 0.04 0.35 0.23 0.00 0.00 176.35 176.61 1x02 n THR 5 N 5.39 0.00 -0.44 5.49 -2.24 -1.26 -4.95 114.28 116.27 1x02 n THR 5 Ca 0.00 -0.69 0.34 0.00 -2.27 0.00 0.00 64.05 61.43 1x02 n THR 5 Cb 0.51 0.23 0.52 0.00 -2.10 0.00 0.00 70.33 69.50 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x02 n GLU 6 N -0.28 -0.00 -0.09 -0.78 -0.58 -1.26 0.11 120.64 117.75 1x02 n GLU 6 Ca -0.02 0.72 -0.06 0.00 -0.42 0.00 0.00 57.16 57.38 1x02 n GLU 6 Cb 0.18 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x02 h GLU 7 N 0.00 -0.13 0.00 3.49 4.11 -2.00 -0.34 114.58 119.71 1x02 h GLU 7 Ca 0.61 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.97 1x02 h GLU 7 Cb 2.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.65 1x02 h GLU 7 CO -0.05 -0.09 -0.44 1.96 0.07 0.00 0.00 179.01 180.46 1x02 h GLN 8 N -0.13 0.01 -0.99 1.06 1.08 0.40 -3.34 115.11 113.20 1x02 h GLN 8 Ca 0.17 -0.02 0.36 0.00 -1.45 0.00 0.00 58.65 57.71 1x02 h GLN 8 Cb 0.40 0.01 -0.16 0.00 -0.05 0.00 0.00 27.48 27.67 1x02 h GLN 8 CO -0.42 1.01 0.52 0.82 -0.95 0.00 0.00 178.83 179.80 1x02 h ILE 9 N -0.98 0.17 -0.44 2.54 2.04 -1.41 0.63 117.51 120.06 1x02 h ILE 9 Ca -0.12 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1x02 h ILE 9 Cb 1.12 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1x02 h ILE 9 CO -0.06 0.03 0.26 0.00 0.00 0.00 0.00 178.15 178.38 1x02 h ALA 10 N 1.91 0.56 0.15 1.87 0.00 -1.18 0.13 119.26 122.69 1x02 h ALA 10 Ca 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 1x02 h ALA 10 Cb 1.87 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1x02 h ALA 10 CO -0.69 0.05 -0.07 0.93 0.00 0.00 0.00 179.25 179.47 1x02 h GLU 11 N 0.58 -0.19 -0.32 0.00 4.39 0.06 -2.26 114.58 116.84 1x02 h GLU 11 Ca 0.16 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1x02 h GLU 11 Cb -0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1x02 h GLU 11 CO -0.03 0.10 0.22 0.74 -1.16 0.00 0.00 179.01 178.88 1x02 h PHE 12 N -0.48 0.36 0.44 4.33 0.04 -1.05 -2.69 116.94 117.89 1x02 h PHE 12 Ca -0.02 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1x02 h PHE 12 Cb 0.38 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1x02 h PHE 12 CO 0.02 0.22 -0.21 -0.22 -0.60 0.00 0.00 178.31 177.51 1x02 h LYS 13 N 0.38 -0.57 -0.77 1.51 3.64 -0.58 -2.60 116.57 117.57 1x02 h LYS 13 Ca 0.13 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.71 1x02 h LYS 13 Cb 0.05 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.88 1x02 h LYS 13 CO -0.03 -0.28 0.24 0.93 -2.27 0.00 0.00 179.45 178.04 1x02 h GLU 14 N -0.83 0.31 0.00 1.90 4.39 -1.13 0.93 114.58 120.14 1x02 h GLU 14 Ca -0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1x02 h GLU 14 Cb 0.56 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1x02 h GLU 14 CO 0.10 0.21 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 1x02 h ALA 15 N 1.62 1.00 -0.02 3.43 0.00 -1.42 -1.27 119.26 122.60 1x02 h ALA 15 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x02 h ALA 15 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1x02 h ALA 15 CO -0.50 0.00 -0.18 0.34 0.00 0.00 0.00 179.25 178.90 1x02 n PHE 16 N -3.02 0.00 -0.04 0.00 7.35 0.27 -4.21 117.46 117.81 1x02 n PHE 16 Ca -0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.56 1x02 n PHE 16 Cb 0.18 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.86 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 0.41 0.89 0.05 -2.13 7.64 0.15 -3.59 113.62 117.05 1x02 n SER 17 Ca 0.09 0.24 -0.18 0.00 1.01 0.00 0.00 58.87 60.03 1x02 n SER 17 Cb 0.40 0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.01 0.77 -0.24 -3.43 -0.00 -1.67 -3.30 115.31 107.45 1x02 h LEU 18 Ca -0.39 -0.62 -0.04 0.00 -0.00 0.00 0.00 57.88 56.83 1x02 h LEU 18 Cb 2.07 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 42.49 1x02 h LEU 18 CO 0.06 1.42 -0.00 -0.26 -0.00 0.00 0.00 178.44 179.65 1x02 h PHE 19 N 0.33 0.46 -1.98 0.17 0.04 -1.75 -3.40 116.94 110.82 1x02 h PHE 19 Ca -0.11 -0.08 -0.50 0.00 2.80 0.00 0.00 57.97 60.08 1x02 h PHE 19 Cb 1.65 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.66 1x02 h PHE 19 CO 0.09 0.60 1.41 0.34 -0.60 0.00 0.00 178.31 180.14 1x02 s ASP 20 N -5.93 5.16 -0.13 2.17 2.15 -1.24 -4.60 116.67 114.25 1x02 s ASP 20 Ca -0.14 0.60 -0.10 0.00 0.43 0.00 0.00 52.55 53.34 1x02 s ASP 20 Cb 0.07 -2.52 -0.25 0.00 -0.30 0.00 0.00 42.92 39.92 1x02 s ASP 20 CO 0.74 -2.41 0.36 0.11 -0.17 0.00 0.00 175.17 173.80 1x02 h LYS 21 N 15.71 0.22 -0.81 4.34 1.79 -1.85 -3.37 116.57 132.60 1x02 h LYS 21 Ca -0.26 -0.37 0.10 0.00 -2.18 0.00 0.00 60.65 57.94 1x02 h LYS 21 Cb 1.19 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.90 1x02 h LYS 21 CO 1.19 1.18 0.45 -0.44 -1.08 0.00 0.00 179.45 180.74 1x02 h ASP 22 N -0.16 0.62 -0.26 0.86 3.32 -1.89 -3.46 116.42 115.45 1x02 h ASP 22 Ca -0.40 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1x02 h ASP 22 Cb 1.88 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1x02 h ASP 22 CO 0.03 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 1x02 n GLY 23 N -1.32 1.09 0.45 2.75 0.00 -1.26 -5.02 105.19 101.88 1x02 n GLY 23 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1x02 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 24 N 0.53 1.99 0.00 1.61 5.75 -1.26 -5.05 116.55 120.12 1x02 n ASP 24 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1x02 n ASP 24 Cb 0.16 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 25 N 3.03 0.66 2.88 6.12 0.00 -1.26 -5.12 105.19 111.50 1x02 n GLY 25 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.66 0.06 -0.40 2.61 -4.23 -1.26 -3.64 115.64 108.12 1x02 s THR 26 Ca 0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 1x02 s THR 26 Cb 0.00 -0.06 0.06 0.00 1.34 0.00 0.00 72.50 73.84 1x02 s THR 26 CO 0.00 0.02 0.23 -0.63 -0.54 0.00 0.00 174.62 173.70 1x02 s ILE 27 N 0.01 4.23 0.38 2.99 1.01 -0.24 -4.72 121.20 124.86 1x02 s ILE 27 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 60.65 59.46 1x02 s ILE 27 Cb -0.01 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1x02 s ILE 27 CO -0.00 -0.41 0.53 0.42 0.00 0.00 0.00 174.94 175.48 1x02 s THR 28 N 1.45 3.55 0.36 2.92 -4.23 -1.26 -3.33 115.64 115.10 1x02 s THR 28 Ca 0.02 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.72 1x02 s THR 28 Cb -0.22 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.76 1x02 s THR 28 CO 0.03 -0.09 1.72 0.71 -0.54 0.00 0.00 174.62 176.45 1x02 h THR 29 N 0.73 0.45 -0.25 3.99 1.35 -1.93 0.85 112.91 118.10 1x02 h THR 29 Ca -0.43 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1x02 h THR 29 Cb 1.27 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1x02 h THR 29 CO 0.49 0.08 0.06 0.50 -0.25 0.00 0.00 175.52 176.41 1x02 h LYS 30 N 0.42 0.35 0.00 4.72 1.63 -1.96 0.60 116.57 122.33 1x02 h LYS 30 Ca 0.66 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.37 1x02 h LYS 30 Cb 1.53 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.09 1x02 h LYS 30 CO -0.43 0.33 -0.53 0.93 -3.45 0.00 0.00 179.45 176.29 1x02 h GLU 31 N 0.35 0.00 -0.96 1.90 5.08 0.20 -3.21 114.58 117.94 1x02 h GLU 31 Ca 0.09 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1x02 h GLU 31 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1x02 h GLU 31 CO -0.00 0.23 0.63 1.25 -1.00 0.00 0.00 179.01 180.11 1x02 h LEU 32 N -1.00 1.05 -1.41 1.33 5.85 -0.50 -1.14 115.31 119.49 1x02 h LEU 32 Ca -0.06 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1x02 h LEU 32 Cb 0.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1x02 h LEU 32 CO -0.04 0.73 -0.18 1.23 -0.34 0.00 0.00 178.44 179.84 1x02 h GLY 33 N 1.22 0.00 2.00 3.75 0.00 0.05 0.30 103.07 110.39 1x02 h GLY 33 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 1x02 h GLY 33 CO -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.11 1x02 h THR 34 N 0.00 0.58 0.00 4.70 1.03 -1.22 -3.00 112.91 115.01 1x02 h THR 34 Ca -0.00 -1.73 -0.31 0.00 -0.01 0.00 0.00 66.41 64.36 1x02 h THR 34 Cb 0.60 2.21 -0.06 0.00 -1.07 0.00 0.00 68.15 69.83 1x02 h THR 34 CO 0.02 0.32 -2.27 0.52 -0.01 0.00 0.00 175.52 174.11 1x02 n VAL 35 N -3.21 1.15 0.07 0.00 0.31 -0.99 -4.04 118.33 111.62 1x02 n VAL 35 Ca 0.02 -0.77 -0.04 0.00 -0.01 0.00 0.00 64.34 63.55 1x02 n VAL 35 Cb 0.63 -0.42 0.18 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.31 0.00 5.55 2.86 -0.50 -2.74 114.93 120.41 1x02 h MET 36 Ca -0.45 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1x02 h MET 36 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1x02 h MET 36 CO 0.02 0.69 0.00 0.07 1.06 0.00 0.00 176.91 178.76 1x02 h ARG 37 N 0.25 0.00 -0.01 1.72 -0.00 -1.73 -2.73 114.38 111.88 1x02 h ARG 37 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.92 1x02 h ARG 37 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.84 1x02 h ARG 37 CO 0.07 0.00 -0.37 0.77 -0.00 0.00 0.00 179.97 180.44 1x02 h SER 38 N 0.00 0.02 0.42 0.08 0.02 -1.62 -2.99 113.55 109.48 1x02 h SER 38 Ca 0.00 -0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1x02 h SER 38 Cb 0.94 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.48 1x02 h SER 38 CO 0.00 0.39 -1.44 -0.07 -1.14 0.00 0.00 176.83 174.57 1x02 h LEU 39 N 0.02 0.59 0.00 5.07 3.38 -1.60 -3.48 115.31 119.30 1x02 h LEU 39 Ca -0.00 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1x02 h LEU 39 Cb 0.67 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1x02 h LEU 39 CO 0.05 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1x02 n GLY 40 N 1.66 0.42 0.25 0.83 0.00 -1.13 -5.09 105.19 102.12 1x02 n GLY 40 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.01 -2.89 1.61 1.13 -1.03 -5.03 117.38 111.18 1x02 n GLN 41 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1x02 n GLN 41 Cb 0.00 -0.39 0.06 0.00 0.11 0.00 0.00 30.24 30.01 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 -2.54 -2.67 -4.77 1.08 5.15 -1.25 -4.93 115.26 105.33 1x02 n ASN 42 Ca -0.00 -0.43 -0.35 0.00 -0.60 0.00 0.00 54.58 53.20 1x02 n ASN 42 Cb 0.01 -3.59 0.01 0.00 -0.53 0.00 0.00 39.78 35.67 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x02 s PRO 43 N -4.70 3.29 0.57 1.20 0.04 -1.26 -5.03 135.00 129.12 1x02 s PRO 43 Ca 0.06 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1x02 s PRO 43 Cb -0.01 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1x02 s PRO 43 CO 0.49 -0.89 0.89 0.95 0.04 0.00 0.00 177.00 178.48 1x02 s THR 44 N -1.84 4.05 0.26 1.26 -4.23 -1.26 -4.76 115.64 109.12 1x02 s THR 44 Ca 0.72 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 1x02 s THR 44 Cb -0.23 -3.59 0.38 0.00 1.34 0.00 0.00 72.50 70.39 1x02 s THR 44 CO 0.29 -0.63 1.58 -0.33 -0.54 0.00 0.00 174.62 174.99 1x02 h GLU 45 N -0.11 0.00 -0.77 3.99 5.08 -1.99 0.56 114.58 121.34 1x02 h GLU 45 Ca -0.46 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 1x02 h GLU 45 Cb 1.24 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1x02 h GLU 45 CO 0.61 0.00 0.42 0.00 -1.00 0.00 0.00 179.01 179.05 1x02 h ALA 46 N 1.87 1.09 0.23 3.43 0.00 -1.98 0.23 119.26 124.12 1x02 h ALA 46 Ca 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1x02 h ALA 46 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x02 h ALA 46 CO -0.89 0.04 -0.11 0.93 0.00 0.00 0.00 179.25 179.22 1x02 h GLU 47 N 0.72 -0.30 -0.26 0.00 5.08 -0.29 -0.93 114.58 118.60 1x02 h GLU 47 Ca 0.37 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1x02 h GLU 47 Cb 0.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1x02 h GLU 47 CO -0.25 -0.02 0.06 -0.07 -1.00 0.00 0.00 179.01 177.73 1x02 h LEU 48 N -0.57 0.03 -0.72 1.33 3.38 -0.63 -0.51 115.31 117.62 1x02 h LEU 48 Ca -0.03 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1x02 h LEU 48 Cb 0.42 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1x02 h LEU 48 CO 0.05 0.05 0.45 1.56 0.09 0.00 0.00 178.44 180.64 1x02 h GLN 49 N 0.16 0.85 -0.47 1.13 1.08 -0.56 0.10 115.11 117.41 1x02 h GLN 49 Ca 0.12 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1x02 h GLN 49 Cb 0.11 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1x02 h GLN 49 CO -0.15 0.56 0.24 -0.44 -0.95 0.00 0.00 178.83 178.10 1x02 h ASP 50 N 0.88 0.61 -0.39 1.46 5.19 -0.63 0.12 116.42 123.65 1x02 h ASP 50 Ca 0.29 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1x02 h ASP 50 Cb 0.02 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1x02 h ASP 50 CO -0.11 0.55 0.02 0.24 -3.12 0.00 0.00 179.24 176.82 1x02 h MET 51 N 0.62 0.67 0.52 3.56 2.86 -0.63 -3.02 114.93 119.51 1x02 h MET 51 Ca 0.16 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1x02 h MET 51 Cb 0.09 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1x02 h MET 51 CO -0.02 0.75 -0.25 0.82 1.06 0.00 0.00 176.91 179.27 1x02 h ILE 52 N 0.50 0.00 -0.84 -1.22 2.04 -0.62 -3.10 117.51 114.27 1x02 h ILE 52 Ca 0.11 -0.16 0.33 0.00 1.00 0.00 0.00 64.86 66.14 1x02 h ILE 52 Cb 0.44 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.37 1x02 h ILE 52 CO 0.02 0.00 0.39 0.59 0.00 0.00 0.00 178.15 179.15 1x02 n ASN 53 N -4.33 0.24 -0.15 1.72 3.02 0.38 0.16 115.26 116.31 1x02 n ASN 53 Ca -0.09 1.39 -0.03 0.00 -0.03 0.00 0.00 54.58 55.82 1x02 n ASN 53 Cb 0.28 -0.65 0.05 0.00 -0.61 0.00 0.00 39.78 38.84 1x02 n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1x02 h GLU 54 N 0.00 0.21 0.24 3.52 4.39 -1.45 -2.75 114.58 118.74 1x02 h GLU 54 Ca 0.68 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 60.03 1x02 h GLU 54 Cb 1.76 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 30.40 1x02 h GLU 54 CO -0.66 0.14 -1.50 0.28 -1.16 0.00 0.00 179.01 176.10 1x02 h VAL 55 N 0.21 1.25 -0.52 3.13 2.07 0.15 -3.46 116.25 119.09 1x02 h VAL 55 Ca 0.23 -2.71 -0.65 0.00 0.82 0.00 0.00 66.70 64.39 1x02 h VAL 55 Cb 0.30 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1x02 h VAL 55 CO -0.31 0.82 0.70 -0.67 0.02 0.00 0.00 177.57 178.13 1x02 n ASP 56 N -3.68 0.82 -0.05 0.57 2.03 0.75 -4.85 116.55 112.13 1x02 n ASP 56 Ca -0.17 0.79 -0.05 0.00 0.52 0.00 0.00 54.79 55.87 1x02 n ASP 56 Cb 1.10 -0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 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 3.99 0.53 -0.32 -1.67 0.00 -1.26 -4.55 120.51 117.23 1x02 n ALA 57 Ca 0.30 -0.59 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1x02 n ALA 57 Cb -0.04 0.02 0.35 0.00 0.00 0.00 0.00 19.45 19.78 1x02 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x02 n ASP 58 N -3.69 0.01 0.00 0.00 5.68 -1.26 -4.79 116.55 112.50 1x02 n ASP 58 Ca -0.08 1.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.78 1x02 n ASP 58 Cb 0.31 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1x02 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 59 N -1.41 0.88 0.63 6.12 0.00 -1.26 -5.05 105.19 105.11 1x02 n GLY 59 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 1.52 0.00 1.61 0.23 -1.26 -5.06 115.26 112.30 1x02 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1x02 n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x02 n GLY 61 N 3.12 1.16 2.91 4.83 0.00 -1.26 -5.13 105.19 110.83 1x02 n GLY 61 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.27 0.62 0.41 2.61 -4.23 -1.26 -4.82 115.64 107.70 1x02 s THR 62 Ca 0.00 -0.17 -0.24 0.00 -1.18 0.00 0.00 61.69 60.10 1x02 s THR 62 Cb 0.00 -0.63 -0.09 0.00 1.34 0.00 0.00 72.50 73.12 1x02 s THR 62 CO 0.00 0.24 1.07 -0.63 -0.54 0.00 0.00 174.62 174.77 1x02 s ILE 63 N 0.89 3.60 0.31 2.99 1.01 -1.21 -4.79 121.20 124.00 1x02 s ILE 63 Ca -0.11 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1x02 s ILE 63 Cb -0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1x02 s ILE 63 CO 0.01 0.01 0.04 0.47 0.00 0.00 0.00 174.94 175.46 1x02 n ASP 64 N -0.12 2.73 0.04 3.58 9.92 -1.26 -1.08 116.55 130.35 1x02 n ASP 64 Ca 0.05 -2.32 -0.12 0.00 -0.53 0.00 0.00 54.79 51.88 1x02 n ASP 64 Cb 0.49 0.18 -0.07 0.00 -0.64 0.00 0.00 41.12 41.08 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1x02 h PHE 65 N 1.07 -0.01 0.08 1.24 3.57 -1.96 -0.12 116.94 120.81 1x02 h PHE 65 Ca -0.25 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.25 1x02 h PHE 65 Cb 0.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1x02 h PHE 65 CO 0.00 0.02 -0.04 -1.00 -2.23 0.00 0.00 178.31 175.06 1x02 h PRO 66 N -0.04 -0.10 -0.67 6.41 0.13 -1.97 -3.26 132.00 132.50 1x02 h PRO 66 Ca -0.00 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1x02 h PRO 66 Cb 0.03 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.12 1x02 h PRO 66 CO 0.00 0.34 0.33 0.93 -0.23 0.00 0.00 178.00 179.37 1x02 h GLU 67 N -0.59 0.56 -1.07 0.86 5.08 -1.92 -0.74 114.58 116.76 1x02 h GLU 67 Ca -0.01 -0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.60 1x02 h GLU 67 Cb 0.49 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1x02 h GLU 67 CO 0.02 0.37 0.72 0.35 -1.00 0.00 0.00 179.01 179.47 1x02 h PHE 68 N 0.58 0.43 -0.63 4.33 3.04 -1.06 0.46 116.94 124.09 1x02 h PHE 68 Ca 0.32 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.39 1x02 h PHE 68 Cb 0.31 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 1x02 h PHE 68 CO -0.11 0.03 0.42 -0.07 -2.02 0.00 0.00 178.31 176.56 1x02 h LEU 69 N 0.25 0.40 -0.52 0.59 3.38 -1.18 -1.28 115.31 116.95 1x02 h LEU 69 Ca 0.58 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 1x02 h LEU 69 Cb 1.74 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1x02 h LEU 69 CO -0.20 0.24 0.13 0.74 0.09 0.00 0.00 178.44 179.44 1x02 h THR 70 N 0.44 1.24 -0.55 0.22 2.02 -0.19 -2.78 112.91 113.32 1x02 h THR 70 Ca 0.29 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1x02 h THR 70 Cb 0.55 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1x02 h THR 70 CO -0.08 0.31 0.14 -0.03 0.37 0.00 0.00 175.52 176.22 1x02 h MET 71 N 0.72 0.87 0.00 6.66 1.85 -1.29 -1.60 114.93 122.14 1x02 h MET 71 Ca 0.16 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1x02 h MET 71 Cb 0.33 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1x02 h MET 71 CO 0.00 0.82 0.00 -1.33 -0.40 0.00 0.00 176.91 176.00 1x02 n MET 72 N -4.41 0.06 -0.10 0.39 2.00 -0.84 0.13 117.12 114.35 1x02 n MET 72 Ca 0.02 0.45 -0.24 0.00 0.00 0.00 0.00 57.70 57.93 1x02 n MET 72 Cb 0.23 -1.66 -0.12 0.00 0.00 0.00 0.00 33.22 31.67 1x02 n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x02 n ALA 73 N -1.61 1.06 0.46 3.04 0.00 -0.71 -4.02 120.51 118.73 1x02 n ALA 73 Ca 0.01 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.75 1x02 n ALA 73 Cb 0.10 -0.28 0.19 0.00 0.00 0.00 0.00 19.45 19.45 1x02 n ALA 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1x02 h ARG 74 N -0.58 0.00 -0.00 0.00 -0.00 -1.03 -3.24 114.38 109.53 1x02 h ARG 74 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.46 1x02 h ARG 74 Cb 1.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.64 1x02 h ARG 74 CO -0.19 0.00 -0.18 1.17 -0.00 0.00 0.00 179.97 180.76 1x02 n LYS 75 N -2.36 0.26 -0.11 0.08 3.00 0.35 -1.98 118.16 117.40 1x02 n LYS 75 Ca 0.03 -0.09 -0.17 0.00 -0.00 0.00 0.00 58.31 58.09 1x02 n LYS 75 Cb 0.47 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.87 1x02 n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1x02 n MET 76 N -1.30 0.67 0.08 1.64 2.81 -1.22 -4.49 117.12 115.30 1x02 n MET 76 Ca 0.09 0.14 -0.16 0.00 -1.81 0.00 0.00 57.70 55.96 1x02 n MET 76 Cb 0.32 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 31.13 1x02 n MET 76 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1x02 h LYS 77 N 0.01 0.25 -1.10 0.03 5.09 -1.65 -3.33 116.57 115.87 1x02 h LYS 77 Ca -0.55 -0.43 0.43 0.00 0.09 0.00 0.00 60.65 60.20 1x02 h LYS 77 Cb 1.98 0.16 -0.17 0.00 0.10 0.00 0.00 32.23 34.30 1x02 h LYS 77 CO -0.04 1.14 0.64 -0.25 -2.09 0.00 0.00 179.45 178.84 1x02 n ASP 78 N -3.47 0.31 -0.26 7.07 8.00 -0.83 0.50 116.55 127.86 1x02 n ASP 78 Ca -0.13 1.57 0.06 0.00 0.71 0.00 0.00 54.79 56.99 1x02 n ASP 78 Cb 1.04 -0.77 0.17 0.00 -0.02 0.00 0.00 41.12 41.54 1x02 n ASP 78 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x02 h THR 79 N 0.00 0.35 -0.87 -3.53 1.35 -1.81 0.24 112.91 108.64 1x02 h THR 79 Ca 0.85 -0.04 0.15 0.00 -0.55 0.00 0.00 66.41 66.81 1x02 h THR 79 Cb 2.40 0.22 -0.09 0.00 -1.73 0.00 0.00 68.15 68.94 1x02 h THR 79 CO -0.68 0.02 0.47 -0.78 -0.25 0.00 0.00 175.52 174.30 1x02 h ASP 80 N 0.13 0.58 -1.15 5.36 3.58 -0.21 0.88 116.42 125.59 1x02 h ASP 80 Ca 0.43 0.09 0.33 0.00 0.42 0.00 0.00 57.03 58.29 1x02 h ASP 80 Cb 0.76 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.75 1x02 h ASP 80 CO -0.65 0.25 0.82 0.28 -2.88 0.00 0.00 179.24 177.06 1x02 h SER 81 N 0.67 0.05 -0.68 2.28 0.02 -0.61 -2.54 113.55 112.74 1x02 h SER 81 Ca 0.47 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.49 1x02 h SER 81 Cb 0.65 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 1x02 h SER 81 CO -0.35 0.01 -0.40 1.21 -1.14 0.00 0.00 176.83 176.15 1x02 n GLU 82 N -4.24 -0.30 0.01 3.45 2.13 0.30 0.63 120.64 122.62 1x02 n GLU 82 Ca 0.25 1.03 -0.09 0.00 0.66 0.00 0.00 57.16 59.00 1x02 n GLU 82 Cb 1.19 -1.51 -0.03 0.00 0.27 0.00 0.00 31.44 31.35 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 -0.21 -1.58 5.31 4.39 -1.67 -1.23 114.58 119.59 1x02 h GLU 83 Ca 0.11 0.01 0.46 0.00 0.34 0.00 0.00 59.36 60.28 1x02 h GLU 83 Cb 0.28 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1x02 h GLU 83 CO -0.64 -0.14 1.14 0.39 -1.16 0.00 0.00 179.01 178.60 1x02 n GLU 84 N -5.31 -0.00 -0.01 2.33 -0.58 0.21 0.21 120.64 117.48 1x02 n GLU 84 Ca -0.03 0.87 -0.22 0.00 -0.42 0.00 0.00 57.16 57.36 1x02 n GLU 84 Cb 0.22 -2.01 -0.14 0.00 -0.57 0.00 0.00 31.44 28.95 1x02 n GLU 84 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1x02 h ILE 85 N 0.00 0.80 -0.67 -3.67 2.04 -1.01 -3.35 117.51 111.66 1x02 h ILE 85 Ca 0.76 -2.34 0.07 0.00 1.00 0.00 0.00 64.86 64.34 1x02 h ILE 85 Cb 3.03 2.52 -0.10 0.00 -0.74 0.00 0.00 36.82 41.53 1x02 h ILE 85 CO -0.02 0.74 -0.55 0.03 0.00 0.00 0.00 178.15 178.35 1x02 h ARG 86 N -0.22 -0.18 -0.99 2.37 -0.00 0.27 0.36 114.38 115.98 1x02 h ARG 86 Ca -0.37 0.01 0.18 0.00 -0.50 0.00 0.00 59.98 59.30 1x02 h ARG 86 Cb 1.83 0.04 -0.11 0.00 0.00 0.00 0.00 29.97 31.74 1x02 h ARG 86 CO 0.03 -0.12 0.60 0.93 0.00 0.00 0.00 179.97 181.41 1x02 h GLU 87 N -0.19 0.74 -0.60 0.04 4.39 -1.69 -0.12 114.58 117.15 1x02 h GLU 87 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1x02 h GLU 87 Cb 0.48 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1x02 h GLU 87 CO -0.73 0.49 0.34 0.00 -1.16 0.00 0.00 179.01 177.95 1x02 h ALA 88 N 1.64 0.77 -0.75 3.43 0.00 -0.52 -2.30 119.26 121.52 1x02 h ALA 88 Ca 0.57 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.47 1x02 h ALA 88 Cb 0.86 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1x02 h ALA 88 CO -0.38 0.27 0.49 0.35 0.00 0.00 0.00 179.25 179.99 1x02 h PHE 89 N 0.81 0.74 -0.15 0.00 3.57 0.94 -2.13 116.94 120.73 1x02 h PHE 89 Ca 0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1x02 h PHE 89 Cb 0.03 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 1x02 h PHE 89 CO -0.01 0.36 -0.03 0.00 -2.23 0.00 0.00 178.31 176.40 1x02 h ARG 90 N 0.71 0.28 -0.66 1.11 3.08 -1.10 -2.88 114.38 114.92 1x02 h ARG 90 Ca 0.34 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 60.42 1x02 h ARG 90 Cb 0.39 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.30 1x02 h ARG 90 CO -0.12 0.56 -0.15 0.28 -1.07 0.00 0.00 179.97 179.47 1x02 h VAL 91 N -0.01 0.35 -0.85 2.04 2.07 -1.00 1.00 116.25 119.84 1x02 h VAL 91 Ca 0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1x02 h VAL 91 Cb 0.45 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1x02 h VAL 91 CO 0.01 0.00 0.54 -0.26 0.02 0.00 0.00 177.57 177.88 1x02 h PHE 92 N 0.01 1.09 -0.50 1.57 -1.00 -1.50 -3.35 116.94 113.26 1x02 h PHE 92 Ca 0.32 0.01 -0.27 0.00 2.81 0.00 0.00 57.97 60.84 1x02 h PHE 92 Cb 0.49 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1x02 h PHE 92 CO -0.52 0.71 0.81 0.34 -1.61 0.00 0.00 178.31 178.04 1x02 s ASP 93 N -6.02 4.84 0.03 2.17 -1.08 0.34 -4.47 116.67 112.49 1x02 s ASP 93 Ca -0.13 -1.21 -0.17 0.00 -0.52 0.00 0.00 52.55 50.52 1x02 s ASP 93 Cb 0.16 -2.58 -0.09 0.00 -1.46 0.00 0.00 42.92 38.95 1x02 s ASP 93 CO 0.80 -3.19 1.26 0.11 0.52 0.00 0.00 175.17 174.67 1x02 h LYS 94 N 10.54 -0.57 -0.90 4.34 1.57 -1.76 -3.01 116.57 126.78 1x02 h LYS 94 Ca 0.15 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.12 1x02 h LYS 94 Cb 0.97 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.31 1x02 h LYS 94 CO 1.19 -0.38 0.50 0.38 -0.57 0.00 0.00 179.45 180.56 1x02 h ASP 95 N -0.59 0.64 -0.54 0.86 3.04 -1.92 -3.46 116.42 114.44 1x02 h ASP 95 Ca -0.06 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1x02 h ASP 95 Cb 0.47 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 1x02 h ASP 95 CO 0.07 0.27 0.00 0.61 -2.04 0.00 0.00 179.24 178.16 1x02 n GLY 96 N -1.33 0.98 0.14 7.15 0.00 -1.14 -5.01 105.19 105.98 1x02 n GLY 96 Ca 0.18 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 0.90 2.27 0.00 1.61 6.94 -1.26 -5.05 115.26 120.68 1x02 n ASN 97 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1x02 n ASN 97 Cb 0.29 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 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 2.38 2.88 3.82 4.83 0.00 -1.26 -5.12 105.19 112.72 1x02 n GLY 98 Ca -0.37 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 3.62 -0.51 1.61 1.51 -1.26 -3.05 117.35 119.27 1x02 s TYR 99 Ca 0.00 0.75 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 1x02 s TYR 99 Cb 0.00 -2.21 0.13 0.00 -0.11 0.00 0.00 41.96 39.77 1x02 s TYR 99 CO 0.00 0.56 0.40 0.42 -1.11 0.00 0.00 175.55 175.82 1x02 s ILE 100 N -0.62 4.48 1.06 2.71 1.01 -0.77 -4.83 121.20 124.23 1x02 s ILE 100 Ca 0.19 -1.79 -0.12 0.00 0.00 0.00 0.00 60.65 58.93 1x02 s ILE 100 Cb -0.14 -3.92 0.22 0.00 0.01 0.00 0.00 42.46 38.62 1x02 s ILE 100 CO 0.08 -0.81 1.07 -0.94 0.00 0.00 0.00 174.94 174.34 1x02 s SER 101 N 2.81 2.03 0.20 3.58 1.04 -1.26 -1.48 113.70 120.61 1x02 s SER 101 Ca 0.06 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 1x02 s SER 101 Cb -0.26 -2.08 0.14 0.00 0.10 0.00 0.00 66.02 63.92 1x02 s SER 101 CO -0.00 -3.53 1.85 0.00 0.98 0.00 0.00 173.24 172.54 1x02 h ALA 102 N -2.16 0.85 -0.32 5.32 0.00 -1.98 -2.65 119.26 118.31 1x02 h ALA 102 Ca -0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x02 h ALA 102 Cb 1.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1x02 h ALA 102 CO 0.54 0.21 0.19 0.00 0.00 0.00 0.00 179.25 180.19 1x02 h ALA 103 N 1.26 0.41 0.13 0.00 0.00 -1.95 0.37 119.26 119.48 1x02 h ALA 103 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1x02 h ALA 103 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1x02 h ALA 103 CO -0.08 -0.08 -0.48 0.93 0.00 0.00 0.00 179.25 179.54 1x02 h GLU 104 N 0.41 -0.66 -0.18 0.00 5.08 -1.82 -1.25 114.58 116.16 1x02 h GLU 104 Ca 0.11 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1x02 h GLU 104 Cb 0.03 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x02 h GLU 104 CO -0.02 -0.44 0.06 1.25 -1.00 0.00 0.00 179.01 178.85 1x02 h LEU 105 N -0.69 0.26 -0.88 1.33 6.46 -1.45 -2.77 115.31 117.57 1x02 h LEU 105 Ca -0.01 -0.20 0.17 0.00 -0.12 0.00 0.00 57.88 57.72 1x02 h LEU 105 Cb 0.69 -0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.39 1x02 h LEU 105 CO -0.25 0.39 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.62 1x02 h ARG 106 N 0.11 -0.01 -0.13 1.25 2.43 -0.02 0.25 114.38 118.26 1x02 h ARG 106 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1x02 h ARG 106 Cb 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1x02 h ARG 106 CO -0.00 -0.01 0.06 1.25 -1.51 0.00 0.00 179.97 179.76 1x02 h HIS 107 N -0.01 0.20 -0.07 2.20 2.76 -1.13 -2.21 115.15 116.88 1x02 h HIS 107 Ca 0.40 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.60 1x02 h HIS 107 Cb 0.64 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 1x02 h HIS 107 CO -0.71 0.27 -0.24 0.28 -1.30 0.00 0.00 177.93 176.22 1x02 h VAL 108 N 0.07 0.44 -0.69 5.26 2.07 -0.43 -2.03 116.25 120.94 1x02 h VAL 108 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 1x02 h VAL 108 Cb 0.15 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 1x02 h VAL 108 CO -0.00 0.00 0.32 0.24 0.02 0.00 0.00 177.57 178.14 1x02 h MET 109 N -0.34 0.52 -0.43 1.57 2.86 -0.60 -2.39 114.93 116.13 1x02 h MET 109 Ca 0.08 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1x02 h MET 109 Cb 0.45 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.90 1x02 h MET 109 CO -0.26 0.34 -0.33 1.15 1.06 0.00 0.00 176.91 178.87 1x02 h THR 110 N 0.53 0.21 -0.90 2.22 2.02 -0.72 -0.68 112.91 115.60 1x02 h THR 110 Ca 0.35 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.74 1x02 h THR 110 Cb 0.41 0.21 -0.17 0.00 -1.74 0.00 0.00 68.15 66.87 1x02 h THR 110 CO -0.30 0.00 -0.07 0.78 0.37 0.00 0.00 175.52 176.31 1x02 h ASN 111 N -0.24 -0.57 -0.79 4.18 4.21 -1.17 0.29 115.58 121.48 1x02 h ASN 111 Ca 0.18 0.25 0.32 0.00 1.21 0.00 0.00 56.30 58.26 1x02 h ASN 111 Cb 0.54 0.47 -0.14 0.00 -1.12 0.00 0.00 38.32 38.07 1x02 h ASN 111 CO -0.56 -0.29 0.37 0.18 -1.29 0.00 0.00 177.43 175.84 1x02 n LEU 112 N -5.48 0.22 0.00 1.61 4.77 -0.26 -4.63 117.00 113.23 1x02 n LEU 112 Ca 0.17 1.32 0.00 0.00 -0.03 0.00 0.00 56.01 57.47 1x02 n LEU 112 Cb 0.57 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1x02 n LEU 112 CO -0.04 -1.46 0.00 0.61 -1.33 0.00 0.00 177.39 175.18 1x02 n GLY 113 N -1.23 0.42 3.60 -0.72 0.00 0.96 -5.17 105.19 103.04 1x02 n GLY 113 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 1.48 -0.30 1.61 0.41 -0.86 -5.10 118.70 115.94 1x02 s GLU 114 Ca 0.00 -0.82 -0.03 0.00 -0.41 0.00 0.00 54.97 53.72 1x02 s GLU 114 Cb 0.00 0.56 0.05 0.00 -1.78 0.00 0.00 34.13 32.96 1x02 s GLU 114 CO 0.00 -0.65 0.01 0.15 -0.49 0.00 0.00 175.26 174.28 1x02 s LYS 115 N -3.86 2.48 0.13 1.61 1.02 -1.26 -4.31 119.74 115.55 1x02 s LYS 115 Ca 0.08 -1.24 0.09 0.00 0.02 0.00 0.00 55.97 54.92 1x02 s LYS 115 Cb -0.02 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1x02 s LYS 115 CO -0.02 -0.62 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.11 1x02 s LEU 116 N 1.28 2.71 0.37 3.17 1.43 -1.26 -5.10 118.68 121.28 1x02 s LEU 116 Ca -0.05 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1x02 s LEU 116 Cb -0.20 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1x02 s LEU 116 CO -0.00 0.16 -0.05 0.42 0.23 0.00 0.00 176.35 177.11 1x02 s THR 117 N -1.26 2.13 0.31 5.49 -4.23 -1.26 -4.97 115.64 111.85 1x02 s THR 117 Ca 0.19 -2.12 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 1x02 s THR 117 Cb -0.10 -2.79 0.32 0.00 1.34 0.00 0.00 72.50 71.27 1x02 s THR 117 CO 0.11 -0.12 1.37 -0.67 -0.54 0.00 0.00 174.62 174.77 1x02 n ASP 118 N -0.87 0.20 0.34 3.99 2.03 -1.26 0.48 116.55 121.46 1x02 n ASP 118 Ca -0.05 1.45 -0.17 0.00 0.52 0.00 0.00 54.79 56.53 1x02 n ASP 118 Cb 0.65 -0.66 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1x02 h GLU 119 N 0.00 -0.80 -0.48 -0.67 4.39 -1.98 0.30 114.58 115.33 1x02 h GLU 119 Ca 0.68 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.53 1x02 h GLU 119 Cb 1.72 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 30.45 1x02 h GLU 119 CO -0.71 -0.53 -0.25 0.93 -1.16 0.00 0.00 179.01 177.29 1x02 h GLU 120 N -0.84 -0.14 -0.35 2.33 4.39 -0.35 -1.28 114.58 118.34 1x02 h GLU 120 Ca -0.08 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1x02 h GLU 120 Cb 0.64 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1x02 h GLU 120 CO 0.14 -0.09 0.12 0.28 -1.16 0.00 0.00 179.01 178.29 1x02 h VAL 121 N -0.15 1.20 -0.87 3.13 2.07 -1.31 -3.02 116.25 117.30 1x02 h VAL 121 Ca 0.22 -0.65 0.20 0.00 0.82 0.00 0.00 66.70 67.28 1x02 h VAL 121 Cb 0.49 0.97 -0.16 0.00 -1.52 0.00 0.00 31.29 31.07 1x02 h VAL 121 CO -0.57 0.23 -0.11 0.44 0.02 0.00 0.00 177.57 177.58 1x02 h ASP 122 N 0.42 -0.62 -0.60 0.57 3.32 0.75 1.15 116.42 121.41 1x02 h ASP 122 Ca 0.12 0.25 0.10 0.00 0.02 0.00 0.00 57.03 57.51 1x02 h ASP 122 Cb 0.23 0.48 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1x02 h ASP 122 CO -0.01 -0.28 0.40 -0.33 -1.72 0.00 0.00 179.24 177.31 1x02 h GLU 123 N 0.03 0.39 0.01 3.56 4.39 -1.29 -1.42 114.58 120.26 1x02 h GLU 123 Ca 0.46 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1x02 h GLU 123 Cb 0.80 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1x02 h GLU 123 CO -0.85 0.26 -0.01 1.98 -1.16 0.00 0.00 179.01 179.23 1x02 h MET 124 N 0.41 -0.02 -0.75 2.33 4.05 0.12 -3.25 114.93 117.82 1x02 h MET 124 Ca 0.28 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.86 1x02 h MET 124 Cb 0.54 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 1x02 h MET 124 CO -0.08 0.68 0.51 0.82 0.23 0.00 0.00 176.91 179.07 1x02 h ILE 125 N -0.75 0.77 -0.03 1.77 1.08 -0.56 0.36 117.51 120.15 1x02 h ILE 125 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1x02 h ILE 125 Cb 0.71 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1x02 h ILE 125 CO 0.00 0.06 0.00 -2.11 -0.69 0.00 0.00 178.15 175.42 1x02 n ARG 126 N -4.46 1.18 -0.00 2.37 1.85 -0.58 -0.96 116.66 116.05 1x02 n ARG 126 Ca 0.14 -0.15 -0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1x02 n ARG 126 Cb 0.57 -1.45 -0.00 0.00 -1.05 0.00 0.00 32.46 30.53 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 -0.04 0.01 -0.09 2.89 2.13 0.13 -4.83 120.64 120.83 1x02 n GLU 127 Ca 0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1x02 n GLU 127 Cb 0.25 -0.97 -0.13 0.00 0.27 0.00 0.00 31.44 30.87 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 -2.56 1.57 -1.57 4.31 0.00 -1.13 -4.90 120.51 116.22 1x02 n ALA 128 Ca -0.01 -1.08 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 1x02 n ALA 128 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1x02 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x02 n ASP 129 N -2.76 2.66 -0.04 0.00 2.03 -0.13 -4.78 116.55 113.53 1x02 n ASP 129 Ca -0.31 -0.22 -0.01 0.00 0.52 0.00 0.00 54.79 54.77 1x02 n ASP 129 Cb 1.02 -1.57 -0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1x02 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1x02 h ILE 130 N 7.49 0.00 -0.77 5.18 2.04 -1.87 -3.38 117.51 126.21 1x02 h ILE 130 Ca -0.30 -0.70 0.17 0.00 1.00 0.00 0.00 64.86 65.03 1x02 h ILE 130 Cb 1.26 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 1x02 h ILE 130 CO 1.08 0.00 0.20 -2.24 0.00 0.00 0.00 178.15 177.19 1x02 h ASP 131 N -0.70 0.03 -0.67 1.72 2.03 -1.94 -3.46 116.42 113.43 1x02 h ASP 131 Ca 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1x02 h ASP 131 Cb 0.16 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1x02 h ASP 131 CO 0.00 -0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.77 1x02 n GLY 132 N -1.36 0.56 0.20 7.15 0.00 -1.26 -5.02 105.19 105.46 1x02 n GLY 132 Ca 0.16 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.33 2.47 -1.35 1.61 5.75 -1.26 -4.96 116.55 118.47 1x02 n ASP 133 Ca 0.00 -2.59 -0.13 0.00 -0.01 0.00 0.00 54.79 52.06 1x02 n ASP 133 Cb 0.15 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 134 N -0.81 0.35 3.21 6.12 0.00 -1.26 -5.00 105.19 107.80 1x02 n GLY 134 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.15 1.09 -0.42 1.61 -0.21 -1.26 -4.06 119.66 112.26 1x02 s GLN 135 Ca 0.00 -1.54 0.02 0.00 0.02 0.00 0.00 55.36 53.86 1x02 s GLN 135 Cb 0.00 -0.04 0.15 0.00 1.00 0.00 0.00 33.01 34.11 1x02 s GLN 135 CO 0.00 -0.22 0.27 0.08 -2.12 0.00 0.00 175.29 173.30 1x02 s VAL 136 N -3.85 0.85 1.15 1.09 1.01 -0.55 -4.56 120.40 115.55 1x02 s VAL 136 Ca 0.27 -2.40 -0.18 0.00 0.00 0.00 0.00 61.98 59.66 1x02 s VAL 136 Cb 0.07 -1.60 0.27 0.00 0.00 0.00 0.00 36.38 35.12 1x02 s VAL 136 CO 0.05 -1.01 1.14 0.54 0.00 0.00 0.00 175.10 175.82 1x02 s ASN 137 N 0.41 1.35 0.14 3.32 2.20 -1.26 -1.84 114.94 119.26 1x02 s ASN 137 Ca 0.21 0.61 -0.27 0.00 -0.94 0.00 0.00 52.86 52.47 1x02 s ASN 137 Cb -0.17 -0.85 -0.02 0.00 -2.00 0.00 0.00 41.25 38.21 1x02 s ASN 137 CO -0.05 -3.86 1.59 0.22 -2.94 0.00 0.00 177.10 172.06 1x02 h TYR 138 N -2.40 -1.12 0.17 1.54 3.20 -1.94 0.11 116.97 116.52 1x02 h TYR 138 Ca -0.45 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.48 1x02 h TYR 138 Cb 1.29 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 40.04 1x02 h TYR 138 CO -1.84 -0.44 -0.49 1.49 -1.64 0.00 0.00 178.16 175.24 1x02 h GLU 139 N -0.41 -0.73 -0.98 1.82 4.81 -1.92 0.38 114.58 117.56 1x02 h GLU 139 Ca 0.11 0.05 0.23 0.00 -0.13 0.00 0.00 59.36 59.61 1x02 h GLU 139 Cb 0.59 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 1x02 h GLU 139 CO -0.45 -0.49 0.63 0.93 -0.73 0.00 0.00 179.01 178.91 1x02 h GLU 140 N -0.76 0.44 -0.17 1.92 5.08 -1.77 0.73 114.58 120.06 1x02 h GLU 140 Ca -0.00 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1x02 h GLU 140 Cb 0.75 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1x02 h GLU 140 CO -0.25 0.29 -0.63 0.35 -1.00 0.00 0.00 179.01 177.77 1x02 h PHE 141 N 0.46 0.96 -0.83 4.33 3.57 0.55 -3.17 116.94 122.82 1x02 h PHE 141 Ca 0.54 -0.40 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1x02 h PHE 141 Cb 1.27 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 1x02 h PHE 141 CO -0.00 1.22 0.52 0.28 -2.23 0.00 0.00 178.31 178.10 1x02 h VAL 142 N 0.44 1.11 -0.05 1.41 2.07 0.20 -2.56 116.25 118.86 1x02 h VAL 142 Ca -0.03 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1x02 h VAL 142 Cb 1.26 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1x02 h VAL 142 CO 0.13 0.18 -0.07 1.56 0.02 0.00 0.00 177.57 179.40 1x02 h GLN 143 N 1.01 -0.09 -0.11 1.57 1.08 -1.31 -0.74 115.11 116.51 1x02 h GLN 143 Ca 0.34 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.59 1x02 h GLN 143 Cb 0.04 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 1x02 h GLN 143 CO -0.13 -0.06 -0.28 1.98 -0.95 0.00 0.00 178.83 179.39 1x02 h MET 144 N -0.10 -0.35 -0.77 1.46 4.05 -1.45 -1.68 114.93 116.10 1x02 h MET 144 Ca 0.05 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.57 1x02 h MET 144 Cb 0.16 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.98 1x02 h MET 144 CO -0.11 -0.23 0.44 0.52 0.23 0.00 0.00 176.91 177.76 1x02 h MET 145 N -0.36 0.76 -1.98 0.39 2.86 -1.26 -2.33 114.93 113.01 1x02 h MET 145 Ca 0.09 -0.05 -0.55 0.00 -2.06 0.00 0.00 59.70 57.14 1x02 h MET 145 Cb 0.50 -0.17 -0.20 0.00 0.06 0.00 0.00 31.60 31.80 1x02 h MET 145 CO -0.32 0.50 0.53 0.25 1.06 0.00 0.00 176.91 178.93 1x02 n THR 146 N -4.74 3.37 -4.23 2.22 -2.24 -0.30 -4.90 114.28 103.45 1x02 n THR 146 Ca 0.12 -3.22 -0.17 0.00 -2.27 0.00 0.00 64.05 58.50 1x02 n THR 146 Cb 0.23 -1.52 -0.13 0.00 -2.10 0.00 0.00 70.33 66.81 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 -2.20 0.77 0.00 6.98 0.00 -0.88 -4.89 121.76 121.54 1x02 s ALA 147 Ca 0.57 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1x02 s ALA 147 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1x02 s ALA 147 CO -0.26 0.12 0.00 1.63 0.00 0.00 0.00 175.76 177.26