#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 n ASP 2 N 0.00 -1.44 -0.13 0.00 8.00 -1.26 -4.63 116.55 117.09 1x02 n ASP 2 Ca 0.00 0.37 0.01 0.00 0.71 0.00 0.00 54.79 55.88 1x02 n ASP 2 Cb 0.00 -1.40 0.01 0.00 -0.02 0.00 0.00 41.12 39.71 1x02 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x02 n GLN 3 N -2.32 0.68 -3.48 -1.24 1.13 -1.26 -4.92 117.38 105.97 1x02 n GLN 3 Ca -0.03 -1.00 -0.27 0.00 -1.94 0.00 0.00 57.00 53.77 1x02 n GLN 3 Cb 0.45 -0.69 -0.09 0.00 0.11 0.00 0.00 30.24 30.02 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 -0.23 1.77 0.00 1.08 4.77 -1.26 -4.88 117.00 118.26 1x02 n LEU 4 Ca 0.01 -4.97 -0.01 0.00 -0.03 0.00 0.00 56.01 51.02 1x02 n LEU 4 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1x02 n LEU 4 CO 0.00 1.94 0.01 0.41 -1.33 0.00 0.00 177.39 178.42 1x02 n THR 5 N 1.69 0.00 -0.45 -5.08 -1.04 -1.26 -4.71 114.28 103.43 1x02 n THR 5 Ca 0.25 -0.08 0.35 0.00 -2.04 0.00 0.00 64.05 62.54 1x02 n THR 5 Cb 0.44 -0.76 0.54 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.83 0.00 0.05 -2.82 -0.58 -1.26 0.15 120.64 115.35 1x02 n GLU 6 Ca 0.00 0.76 -0.11 0.00 -0.42 0.00 0.00 57.16 57.40 1x02 n GLU 6 Cb 0.02 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.05 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 -0.12 0.06 3.49 4.11 -1.97 -0.92 114.58 119.24 1x02 h GLU 7 Ca 0.62 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 60.05 1x02 h GLU 7 Cb 2.60 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.88 1x02 h GLU 7 CO -0.01 -0.08 -0.03 1.96 0.07 0.00 0.00 179.01 180.92 1x02 h GLN 8 N -0.13 -0.08 -0.99 1.06 1.08 0.11 -3.33 115.11 112.83 1x02 h GLN 8 Ca 0.03 0.01 0.37 0.00 -1.45 0.00 0.00 58.65 57.61 1x02 h GLN 8 Cb 0.17 0.02 -0.18 0.00 -0.05 0.00 0.00 27.48 27.44 1x02 h GLN 8 CO -0.08 -0.02 0.43 0.82 -0.95 0.00 0.00 178.83 179.02 1x02 h ILE 9 N -1.02 0.06 -0.79 2.54 5.03 -1.55 0.92 117.51 122.70 1x02 h ILE 9 Ca -0.01 -0.02 0.11 0.00 -0.12 0.00 0.00 64.86 64.82 1x02 h ILE 9 Cb 0.09 -0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.80 1x02 h ILE 9 CO 0.01 0.01 0.42 0.00 -0.68 0.00 0.00 178.15 177.91 1x02 h ALA 10 N 1.97 1.12 0.26 1.87 0.00 -1.28 0.16 119.26 123.37 1x02 h ALA 10 Ca 0.77 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.72 1x02 h ALA 10 Cb 1.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1x02 h ALA 10 CO -0.77 0.00 -0.12 0.93 0.00 0.00 0.00 179.25 179.28 1x02 h GLU 11 N 0.68 -0.33 -0.44 0.00 5.08 0.76 -3.02 114.58 117.30 1x02 h GLU 11 Ca 0.39 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 1x02 h GLU 11 Cb 0.43 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1x02 h GLU 11 CO -0.28 -0.00 0.31 0.74 -1.00 0.00 0.00 179.01 178.77 1x02 h PHE 12 N -0.71 0.13 0.61 4.33 0.04 -1.09 -2.79 116.94 117.47 1x02 h PHE 12 Ca -0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1x02 h PHE 12 Cb 0.48 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1x02 h PHE 12 CO 0.03 0.06 -0.31 -0.22 -0.60 0.00 0.00 178.31 177.27 1x02 h LYS 13 N 0.13 -0.81 -0.95 1.51 3.64 -0.56 -0.23 116.57 119.29 1x02 h LYS 13 Ca 0.21 0.06 0.29 0.00 -1.27 0.00 0.00 60.65 59.94 1x02 h LYS 13 Cb 0.66 0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 32.50 1x02 h LYS 13 CO -0.02 -0.54 0.26 0.93 -2.27 0.00 0.00 179.45 177.80 1x02 h GLU 14 N -0.85 0.10 -0.38 1.90 4.39 -1.38 1.19 114.58 119.55 1x02 h GLU 14 Ca -0.08 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1x02 h GLU 14 Cb 0.66 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1x02 h GLU 14 CO 0.13 0.07 -0.19 0.00 -1.16 0.00 0.00 179.01 177.86 1x02 h ALA 15 N 1.90 0.96 -0.00 3.43 0.00 -1.42 -2.43 119.26 121.70 1x02 h ALA 15 Ca 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x02 h ALA 15 Cb 1.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x02 h ALA 15 CO -0.77 0.61 -0.18 0.34 0.00 0.00 0.00 179.25 179.25 1x02 n PHE 16 N -4.13 0.00 0.09 0.00 7.35 0.33 -3.49 117.46 117.60 1x02 n PHE 16 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.47 1x02 n PHE 16 Cb 0.40 -0.35 -0.15 0.00 0.35 0.00 0.00 39.48 39.73 1x02 n PHE 16 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1x02 h SER 17 N 0.11 0.64 -0.30 -2.13 0.02 0.12 -3.05 113.55 108.97 1x02 h SER 17 Ca 0.00 -0.88 -0.10 0.00 -0.84 0.00 0.00 61.79 59.97 1x02 h SER 17 Cb 0.47 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1x02 h SER 17 CO 0.00 1.73 -0.20 0.17 -1.14 0.00 0.00 176.83 177.39 1x02 h LEU 18 N 0.11 0.69 -0.40 5.07 8.10 -1.55 -3.20 115.31 124.12 1x02 h LEU 18 Ca -0.32 -0.43 -0.02 0.00 0.11 0.00 0.00 57.88 57.22 1x02 h LEU 18 Cb 2.11 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 42.12 1x02 h LEU 18 CO 0.20 0.97 0.16 -0.26 -4.11 0.00 0.00 178.44 175.40 1x02 h PHE 19 N 0.40 0.62 -1.21 0.17 0.04 -1.71 -3.38 116.94 111.87 1x02 h PHE 19 Ca 0.06 -0.05 -0.36 0.00 2.80 0.00 0.00 57.97 60.42 1x02 h PHE 19 Cb 0.74 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 1x02 h PHE 19 CO 0.07 0.54 0.97 0.34 -0.60 0.00 0.00 178.31 179.63 1x02 s ASP 20 N -5.86 5.11 -0.10 2.17 2.15 -1.15 -4.68 116.67 114.31 1x02 s ASP 20 Ca -0.13 -0.20 -0.14 0.00 0.43 0.00 0.00 52.55 52.51 1x02 s ASP 20 Cb 0.10 -2.55 -0.27 0.00 -0.30 0.00 0.00 42.92 39.91 1x02 s ASP 20 CO 0.75 -2.66 0.52 0.11 -0.17 0.00 0.00 175.17 173.73 1x02 h LYS 21 N 13.03 0.25 -0.20 4.34 1.79 -1.82 -3.37 116.57 130.59 1x02 h LYS 21 Ca -0.05 -0.43 0.04 0.00 -2.18 0.00 0.00 60.65 58.02 1x02 h LYS 21 Cb 1.07 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1x02 h LYS 21 CO 1.20 1.21 -0.02 -0.44 -1.08 0.00 0.00 179.45 180.32 1x02 h ASP 22 N -0.24 -0.13 -0.09 0.86 3.32 -1.92 -3.47 116.42 114.76 1x02 h ASP 22 Ca -0.33 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1x02 h ASP 22 Cb 1.82 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.47 1x02 h ASP 22 CO 0.06 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1x02 n GLY 23 N -1.19 0.85 0.57 2.75 0.00 -1.26 -5.04 105.19 101.87 1x02 n GLY 23 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 0.05 1.51 0.00 1.61 5.75 -1.26 -5.05 116.55 119.16 1x02 n ASP 24 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1x02 n ASP 24 Cb 0.04 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 2.97 0.76 3.07 6.12 0.00 -1.26 -5.14 105.19 111.72 1x02 n GLY 25 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 0.15 -0.50 2.61 -4.23 -1.26 -3.90 115.64 107.75 1x02 s THR 26 Ca 0.00 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1x02 s THR 26 Cb 0.00 -0.87 0.13 0.00 1.34 0.00 0.00 72.50 73.09 1x02 s THR 26 CO 0.00 -0.67 0.23 -0.63 -0.54 0.00 0.00 174.62 173.02 1x02 s ILE 27 N -2.61 2.53 0.27 2.99 1.01 0.18 -4.71 121.20 120.87 1x02 s ILE 27 Ca -0.05 -3.19 -0.14 0.00 0.00 0.00 0.00 60.65 57.27 1x02 s ILE 27 Cb -0.01 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 1x02 s ILE 27 CO -0.05 -0.78 0.68 0.28 0.00 0.00 0.00 174.94 175.07 1x02 s THR 28 N -0.13 4.74 0.30 2.92 -1.32 -1.26 -3.10 115.64 117.78 1x02 s THR 28 Ca 0.16 0.87 0.23 0.00 -1.21 0.00 0.00 61.69 61.74 1x02 s THR 28 Cb -0.25 -3.65 0.35 0.00 -1.51 0.00 0.00 72.50 67.44 1x02 s THR 28 CO -0.01 -0.07 1.02 0.35 -2.21 0.00 0.00 174.62 173.70 1x02 n THR 29 N -0.07 -0.14 -0.04 5.08 -2.24 -1.26 0.20 114.28 115.80 1x02 n THR 29 Ca 0.01 1.15 -0.09 0.00 -2.27 0.00 0.00 64.05 62.86 1x02 n THR 29 Cb 0.53 -1.89 -0.03 0.00 -2.10 0.00 0.00 70.33 66.84 1x02 n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1x02 h LYS 30 N 0.00 0.00 0.22 -0.78 3.11 -1.96 0.70 116.57 117.86 1x02 h LYS 30 Ca 0.58 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.41 1x02 h LYS 30 Cb 1.95 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.18 1x02 h LYS 30 CO -0.26 0.00 -0.10 0.93 -2.81 0.00 0.00 179.45 177.21 1x02 h GLU 31 N 0.00 -0.28 -0.79 1.90 5.08 0.19 -2.70 114.58 117.98 1x02 h GLU 31 Ca 0.09 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.64 1x02 h GLU 31 Cb 0.14 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 1x02 h GLU 31 CO -0.20 -0.19 0.29 1.25 -1.00 0.00 0.00 179.01 179.17 1x02 h LEU 32 N -1.01 0.23 -1.62 1.33 5.85 -1.46 0.38 115.31 119.00 1x02 h LEU 32 Ca -0.03 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1x02 h LEU 32 Cb 0.22 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1x02 h LEU 32 CO 0.05 0.05 -0.15 1.23 -0.34 0.00 0.00 178.44 179.28 1x02 h GLY 33 N 0.39 0.00 2.00 3.75 0.00 0.31 0.25 103.07 109.77 1x02 h GLY 33 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 1x02 h GLY 33 CO -0.46 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 175.67 1x02 h THR 34 N 0.00 0.80 0.01 4.70 1.03 0.10 -3.01 112.91 116.54 1x02 h THR 34 Ca -0.00 -1.80 -0.38 0.00 -0.01 0.00 0.00 66.41 64.22 1x02 h THR 34 Cb 0.49 2.15 -0.07 0.00 -1.07 0.00 0.00 68.15 69.66 1x02 h THR 34 CO 0.02 0.40 -2.41 0.52 -0.01 0.00 0.00 175.52 174.04 1x02 n VAL 35 N -3.34 1.49 -0.23 0.00 0.31 -0.88 -4.18 118.33 111.51 1x02 n VAL 35 Ca 0.01 -0.64 -0.04 0.00 -0.01 0.00 0.00 64.34 63.66 1x02 n VAL 35 Cb 0.61 -1.23 0.07 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.01 0.74 0.00 5.55 2.86 -0.62 -0.44 114.93 123.03 1x02 h MET 36 Ca -0.55 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1x02 h MET 36 Cb 1.99 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1x02 h MET 36 CO -0.05 0.49 0.00 0.07 1.06 0.00 0.00 176.91 178.48 1x02 h ARG 37 N 0.76 0.00 0.00 1.72 -0.00 -1.74 -2.19 114.38 112.93 1x02 h ARG 37 Ca 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.16 1x02 h ARG 37 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.01 1x02 h ARG 37 CO -0.12 0.00 -0.43 1.03 -0.00 0.00 0.00 179.97 180.45 1x02 h SER 38 N 0.00 0.00 0.42 0.08 0.87 -1.24 -3.09 113.55 110.60 1x02 h SER 38 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 1x02 h SER 38 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1x02 h SER 38 CO 0.00 0.43 -1.56 -0.07 -0.53 0.00 0.00 176.83 175.10 1x02 h LEU 39 N 0.00 0.40 0.00 2.23 3.38 -1.36 -3.48 115.31 116.48 1x02 h LEU 39 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1x02 h LEU 39 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1x02 h LEU 39 CO 0.06 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.67 1x02 n GLY 40 N 1.69 0.58 0.45 0.83 0.00 -1.13 -4.99 105.19 102.61 1x02 n GLY 40 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.36 -3.71 1.61 1.13 -1.15 -4.95 117.38 110.66 1x02 n GLN 41 Ca 0.00 0.15 -0.25 0.00 -1.94 0.00 0.00 57.00 54.96 1x02 n GLN 41 Cb 0.00 -1.11 0.03 0.00 0.11 0.00 0.00 30.24 29.27 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x02 n ASN 42 N -3.91 -2.87 -4.77 1.08 4.13 -1.26 -4.94 115.26 102.72 1x02 n ASN 42 Ca -0.24 -0.92 -0.32 0.00 1.68 0.00 0.00 54.58 54.77 1x02 n ASN 42 Cb 0.58 -3.68 0.07 0.00 -1.54 0.00 0.00 39.78 35.21 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x02 s PRO 43 N -5.98 2.48 0.26 3.52 0.04 -1.26 -5.05 135.00 129.01 1x02 s PRO 43 Ca 0.21 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1x02 s PRO 43 Cb -0.07 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1x02 s PRO 43 CO 0.84 -1.48 0.46 0.95 0.04 0.00 0.00 177.00 177.81 1x02 s THR 44 N -2.66 5.15 0.30 1.26 -4.23 -1.26 -4.84 115.64 109.36 1x02 s THR 44 Ca 0.64 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1x02 s THR 44 Cb -0.19 -3.77 0.43 0.00 1.34 0.00 0.00 72.50 70.32 1x02 s THR 44 CO 0.50 -0.31 1.55 -0.62 -0.54 0.00 0.00 174.62 175.21 1x02 n GLU 45 N -1.04 -0.08 -0.25 3.99 1.02 -1.26 0.12 120.64 123.14 1x02 n GLU 45 Ca -0.04 1.51 -0.01 0.00 -0.02 0.00 0.00 57.16 58.60 1x02 n GLU 45 Cb 0.55 -2.35 0.11 0.00 -0.02 0.00 0.00 31.44 29.73 1x02 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x02 h ALA 46 N 1.99 0.97 0.07 0.62 0.00 -1.98 0.21 119.26 121.14 1x02 h ALA 46 Ca 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 46 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x02 h ALA 46 CO -0.97 0.08 -0.04 0.93 0.00 0.00 0.00 179.25 179.25 1x02 h GLU 47 N 0.73 -0.09 -0.11 0.00 4.39 0.49 0.38 114.58 120.36 1x02 h GLU 47 Ca 0.32 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.06 1x02 h GLU 47 Cb 0.22 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1x02 h GLU 47 CO -0.19 0.28 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.80 1x02 h LEU 48 N -0.49 -0.22 0.20 1.33 3.38 -0.57 0.39 115.31 119.32 1x02 h LEU 48 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1x02 h LEU 48 Cb 0.42 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1x02 h LEU 48 CO 0.02 -0.09 -0.10 1.56 0.09 0.00 0.00 178.44 179.92 1x02 h GLN 49 N -0.07 -0.26 -0.95 1.13 1.08 -0.62 -1.17 115.11 114.25 1x02 h GLN 49 Ca 0.07 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.35 1x02 h GLN 49 Cb 0.17 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1x02 h GLN 49 CO -0.16 -0.07 0.61 -0.44 -0.95 0.00 0.00 178.83 177.83 1x02 h ASP 50 N -0.40 0.96 -0.16 1.46 3.32 -0.74 0.16 116.42 121.02 1x02 h ASP 50 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1x02 h ASP 50 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1x02 h ASP 50 CO 0.04 0.61 0.05 0.24 -1.72 0.00 0.00 179.24 178.46 1x02 h MET 51 N 1.08 0.24 0.39 3.56 2.86 -0.01 -3.00 114.93 120.05 1x02 h MET 51 Ca 0.41 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1x02 h MET 51 Cb 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1x02 h MET 51 CO -0.16 0.37 -0.19 0.82 1.06 0.00 0.00 176.91 178.81 1x02 h ILE 52 N 0.07 0.00 -0.98 -1.22 2.04 -0.66 -3.13 117.51 113.63 1x02 h ILE 52 Ca 0.05 -0.21 0.34 0.00 1.00 0.00 0.00 64.86 66.03 1x02 h ILE 52 Cb 0.23 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.22 1x02 h ILE 52 CO -0.00 0.00 0.63 0.59 0.00 0.00 0.00 178.15 179.37 1x02 n ASN 53 N -4.00 0.14 -0.02 1.72 3.02 0.52 0.23 115.26 116.87 1x02 n ASN 53 Ca -0.06 0.97 -0.11 0.00 -0.03 0.00 0.00 54.58 55.35 1x02 n ASN 53 Cb 0.21 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.20 0.15 3.52 4.39 -1.46 -3.12 114.58 118.25 1x02 h GLU 54 Ca 0.62 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 60.01 1x02 h GLU 54 Cb 2.02 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1x02 h GLU 54 CO -0.32 0.15 -1.41 0.28 -1.16 0.00 0.00 179.01 176.55 1x02 h VAL 55 N 0.18 1.32 0.00 3.13 2.07 0.28 -3.46 116.25 119.77 1x02 h VAL 55 Ca 0.05 -2.88 -0.26 0.00 0.82 0.00 0.00 66.70 64.43 1x02 h VAL 55 Cb 0.00 2.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 1x02 h VAL 55 CO -0.01 0.85 0.97 -0.67 0.02 0.00 0.00 177.57 178.73 1x02 n ASP 56 N -3.54 0.01 -0.02 0.57 2.03 0.87 -4.78 116.55 111.69 1x02 n ASP 56 Ca -0.13 0.04 -0.00 0.00 0.52 0.00 0.00 54.79 55.21 1x02 n ASP 56 Cb 1.05 -0.46 -0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 h ALA 57 N 6.39 0.00 -0.97 -1.67 0.00 -1.88 -3.37 119.26 117.76 1x02 h ALA 57 Ca -0.02 -0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.13 1x02 h ALA 57 Cb 0.69 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 1x02 h ALA 57 CO 0.77 0.04 0.32 0.38 0.00 0.00 0.00 179.25 180.76 1x02 h ASP 58 N -0.33 0.04 -0.05 0.00 2.03 -1.94 -3.45 116.42 112.71 1x02 h ASP 58 Ca 0.00 0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1x02 h ASP 58 Cb 0.04 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1x02 h ASP 58 CO 0.00 -0.30 0.00 0.61 -1.03 0.00 0.00 179.24 178.52 1x02 n GLY 59 N -1.36 0.94 0.44 7.15 0.00 -1.26 -5.04 105.19 106.06 1x02 n GLY 59 Ca 0.29 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 0.06 1.43 0.00 1.61 6.94 -1.26 -5.06 115.26 118.98 1x02 n ASN 60 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 1x02 n ASN 60 Cb 0.02 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 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 2.22 3.96 3.93 4.83 0.00 -1.26 -5.13 105.19 113.74 1x02 n GLY 61 Ca -0.29 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 5.28 0.15 2.61 -4.23 -1.26 -4.50 115.64 113.69 1x02 s THR 62 Ca 0.00 -0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1x02 s THR 62 Cb 0.00 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.06 1x02 s THR 62 CO 0.00 -0.07 0.96 -0.63 -0.54 0.00 0.00 174.62 174.33 1x02 s ILE 63 N -1.74 4.36 0.44 2.99 -1.09 -1.18 -4.81 121.20 120.16 1x02 s ILE 63 Ca 0.36 2.07 0.05 0.00 -2.23 0.00 0.00 60.65 60.90 1x02 s ILE 63 Cb -0.11 -4.32 0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1x02 s ILE 63 CO 0.28 0.37 0.42 0.47 -1.23 0.00 0.00 174.94 175.26 1x02 n ASP 64 N 2.39 2.15 -0.07 3.58 8.00 -1.26 0.51 116.55 131.84 1x02 n ASP 64 Ca 0.01 -2.40 -0.08 0.00 0.71 0.00 0.00 54.79 53.03 1x02 n ASP 64 Cb 0.48 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.45 0.15 -0.20 1.24 3.04 -1.98 0.62 116.94 120.25 1x02 h PHE 65 Ca -0.25 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.63 1x02 h PHE 65 Cb 1.00 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 1x02 h PHE 65 CO 0.00 0.06 -0.20 -1.00 -2.02 0.00 0.00 178.31 175.15 1x02 h PRO 66 N 0.20 0.50 0.78 6.41 0.13 -1.96 -3.30 132.00 134.77 1x02 h PRO 66 Ca 0.13 -0.26 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1x02 h PRO 66 Cb 0.11 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.25 1x02 h PRO 66 CO -0.14 0.84 -0.38 0.93 -0.23 0.00 0.00 178.00 179.02 1x02 h GLU 67 N 0.17 -1.01 -0.89 0.86 5.08 -1.89 -2.77 114.58 114.12 1x02 h GLU 67 Ca 0.03 0.07 0.32 0.00 -1.00 0.00 0.00 59.36 58.78 1x02 h GLU 67 Cb 0.75 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 1x02 h GLU 67 CO 0.05 -0.68 0.56 0.34 -1.00 0.00 0.00 179.01 178.29 1x02 n PHE 68 N -4.91 0.52 0.10 4.33 7.35 0.19 0.18 117.46 125.23 1x02 n PHE 68 Ca -0.13 0.53 -0.13 0.00 -0.76 0.00 0.00 57.45 56.96 1x02 n PHE 68 Cb 0.41 -0.93 -0.06 0.00 0.35 0.00 0.00 39.48 39.25 1x02 n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1x02 h LEU 69 N 0.00 -0.29 -0.62 -2.13 3.38 -1.56 -2.47 115.31 111.62 1x02 h LEU 69 Ca 0.59 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.71 1x02 h LEU 69 Cb 1.86 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 42.60 1x02 h LEU 69 CO -0.35 -0.17 -0.16 0.74 0.09 0.00 0.00 178.44 178.59 1x02 h THR 70 N -0.25 0.38 -0.34 0.22 2.02 0.19 -0.22 112.91 114.91 1x02 h THR 70 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1x02 h THR 70 Cb 0.24 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1x02 h THR 70 CO -0.03 0.00 0.04 -0.03 0.37 0.00 0.00 175.52 175.87 1x02 h MET 71 N -0.00 0.14 -0.93 6.66 1.85 -1.45 -1.63 114.93 119.56 1x02 h MET 71 Ca 0.30 -0.01 0.10 0.00 -0.61 0.00 0.00 59.70 59.48 1x02 h MET 71 Cb 0.45 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 32.37 1x02 h MET 71 CO -0.64 0.09 0.57 0.52 -0.40 0.00 0.00 176.91 177.06 1x02 h MET 72 N 0.14 0.92 -0.68 0.39 2.07 -0.63 0.36 114.93 117.51 1x02 h MET 72 Ca 0.16 -0.06 0.01 0.00 -2.07 0.00 0.00 59.70 57.75 1x02 h MET 72 Cb 0.20 -0.21 -0.04 0.00 -1.87 0.00 0.00 31.60 29.69 1x02 h MET 72 CO -0.24 0.61 0.44 0.00 1.07 0.00 0.00 176.91 178.79 1x02 h ALA 73 N 1.49 0.87 -0.70 6.32 0.00 -0.30 0.22 119.26 127.16 1x02 h ALA 73 Ca 0.45 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1x02 h ALA 73 Cb 0.39 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1x02 h ALA 73 CO -0.24 0.26 0.27 2.89 0.00 0.00 0.00 179.25 182.42 1x02 n ARG 74 N -4.63 3.38 0.00 0.00 -4.01 -0.60 -4.25 116.66 106.54 1x02 n ARG 74 Ca 0.06 -3.08 0.00 0.00 -1.04 0.00 0.00 57.85 53.79 1x02 n ARG 74 Cb 0.04 -2.16 0.00 0.00 -3.04 0.00 0.00 32.46 27.30 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1x02 n LYS 75 N -0.36 2.03 0.09 2.89 3.00 0.12 -4.74 118.16 121.18 1x02 n LYS 75 Ca 0.41 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.92 1x02 n LYS 75 Cb 1.36 -0.76 0.73 0.00 0.00 0.00 0.00 35.03 36.36 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 0.00 -0.17 1.64 2.86 -0.76 0.31 114.93 118.82 1x02 h MET 76 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1x02 h MET 76 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1x02 h MET 76 CO 0.00 0.00 -0.60 1.57 1.06 0.00 0.00 176.91 178.94 1x02 h LYS 77 N 0.00 0.56 -1.01 1.72 5.09 -1.83 -3.14 116.57 117.96 1x02 h LYS 77 Ca 0.20 -0.38 0.20 0.00 0.09 0.00 0.00 60.65 60.76 1x02 h LYS 77 Cb 1.19 0.06 -0.11 0.00 0.10 0.00 0.00 32.23 33.46 1x02 h LYS 77 CO -0.00 1.00 0.61 -0.44 -2.09 0.00 0.00 179.45 178.52 1x02 h ASP 78 N 0.42 0.76 0.21 7.07 5.19 -0.68 0.40 116.42 129.79 1x02 h ASP 78 Ca -0.00 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1x02 h ASP 78 Cb 1.16 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1x02 h ASP 78 CO 0.11 0.23 -0.19 0.00 -3.12 0.00 0.00 179.24 176.28 1x02 h THR 79 N 0.72 1.07 -0.86 0.35 1.03 -1.61 -2.96 112.91 110.64 1x02 h THR 79 Ca 0.60 -0.65 0.21 0.00 -0.01 0.00 0.00 66.41 66.55 1x02 h THR 79 Cb 0.98 1.36 -0.15 0.00 -1.07 0.00 0.00 68.15 69.27 1x02 h THR 79 CO -0.41 0.18 -0.01 0.44 -0.01 0.00 0.00 175.52 175.72 1x02 h ASP 80 N 0.00 -0.44 -1.21 0.00 5.19 -0.28 0.28 116.42 119.96 1x02 h ASP 80 Ca -0.00 0.23 0.41 0.00 -0.62 0.00 0.00 57.03 57.05 1x02 h ASP 80 Cb 0.34 0.42 -0.11 0.00 0.18 0.00 0.00 39.33 40.16 1x02 h ASP 80 CO 0.02 -0.25 0.79 -1.20 -3.12 0.00 0.00 179.24 175.49 1x02 n SER 81 N -5.42 0.16 -0.20 6.45 7.64 -1.12 -1.22 113.62 119.91 1x02 n SER 81 Ca 0.17 1.13 -0.05 0.00 1.01 0.00 0.00 58.87 61.12 1x02 n SER 81 Cb 0.57 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 -4.29 -0.21 0.05 1.43 2.13 0.99 -0.31 120.64 120.42 1x02 n GLU 82 Ca 0.34 0.96 -0.14 0.00 0.66 0.00 0.00 57.16 58.98 1x02 n GLU 82 Cb 1.35 -1.42 -0.07 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.57 -1.76 5.31 5.08 -1.39 0.45 114.58 121.69 1x02 h GLU 83 Ca 0.08 0.04 0.53 0.00 -1.00 0.00 0.00 59.36 59.00 1x02 h GLU 83 Cb 0.20 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1x02 h GLU 83 CO -0.45 -0.38 1.24 0.39 -1.00 0.00 0.00 179.01 178.81 1x02 n GLU 84 N -5.45 -0.01 0.05 2.33 -0.58 0.57 0.17 120.64 117.72 1x02 n GLU 84 Ca -0.06 1.06 -0.22 0.00 -0.42 0.00 0.00 57.16 57.52 1x02 n GLU 84 Cb 0.38 -2.37 -0.15 0.00 -0.57 0.00 0.00 31.44 28.74 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 1.05 -0.88 -3.67 2.04 -0.24 -3.37 117.51 112.44 1x02 h ILE 85 Ca 0.88 -2.49 0.16 0.00 1.00 0.00 0.00 64.86 64.42 1x02 h ILE 85 Cb 3.40 2.81 -0.16 0.00 -0.74 0.00 0.00 36.82 42.13 1x02 h ILE 85 CO -0.10 0.78 -0.26 0.54 0.00 0.00 0.00 178.15 179.11 1x02 n ARG 86 N -3.78 -0.12 -0.31 2.37 5.12 0.45 0.81 116.66 121.20 1x02 n ARG 86 Ca -0.23 1.37 0.07 0.00 -1.93 0.00 0.00 57.85 57.13 1x02 n ARG 86 Cb 0.99 -2.04 0.18 0.00 -1.16 0.00 0.00 32.46 30.42 1x02 n ARG 86 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1x02 h GLU 87 N 0.00 0.03 -0.32 5.56 5.08 -1.69 0.35 114.58 123.59 1x02 h GLU 87 Ca 0.39 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1x02 h GLU 87 Cb 0.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1x02 h GLU 87 CO -0.90 0.02 0.08 0.00 -1.00 0.00 0.00 179.01 177.21 1x02 h ALA 88 N 1.87 0.41 -0.79 3.43 0.00 0.18 -2.68 119.26 121.69 1x02 h ALA 88 Ca 0.47 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1x02 h ALA 88 Cb 0.84 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1x02 h ALA 88 CO -0.86 0.07 0.49 0.35 0.00 0.00 0.00 179.25 179.31 1x02 h PHE 89 N 0.35 0.92 -0.18 0.00 3.57 -0.01 -2.57 116.94 119.03 1x02 h PHE 89 Ca 0.10 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1x02 h PHE 89 Cb 0.28 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1x02 h PHE 89 CO 0.01 0.51 0.04 0.00 -2.23 0.00 0.00 178.31 176.65 1x02 h ARG 90 N 0.95 0.11 -0.29 1.11 3.08 -0.42 -1.67 114.38 117.25 1x02 h ARG 90 Ca 0.32 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.42 1x02 h ARG 90 Cb 0.05 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1x02 h ARG 90 CO -0.13 0.08 -0.44 0.28 -1.07 0.00 0.00 179.97 178.69 1x02 h VAL 91 N 0.12 0.11 -0.16 2.04 2.07 -1.12 -1.98 116.25 117.32 1x02 h VAL 91 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1x02 h VAL 91 Cb 0.07 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 1x02 h VAL 91 CO -0.10 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.15 1x02 h PHE 92 N -0.41 -0.19 -2.24 1.57 0.04 -1.36 -3.39 116.94 110.96 1x02 h PHE 92 Ca 0.10 0.02 -0.58 0.00 2.80 0.00 0.00 57.97 60.31 1x02 h PHE 92 Cb 0.61 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1x02 h PHE 92 CO -0.58 -0.13 1.40 0.34 -0.60 0.00 0.00 178.31 178.74 1x02 s ASP 93 N -5.15 5.69 -0.05 2.17 -1.08 -0.64 -4.21 116.67 113.41 1x02 s ASP 93 Ca -0.14 1.79 -0.03 0.00 -0.52 0.00 0.00 52.55 53.65 1x02 s ASP 93 Cb 0.10 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1x02 s ASP 93 CO 0.68 -1.79 0.19 0.11 0.52 0.00 0.00 175.17 174.88 1x02 h LYS 94 N 13.93 -0.11 -0.76 4.34 1.57 -1.78 -3.36 116.57 130.40 1x02 h LYS 94 Ca -0.39 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1x02 h LYS 94 Cb 1.22 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 1x02 h LYS 94 CO 0.98 -0.07 0.43 0.38 -0.57 0.00 0.00 179.45 180.60 1x02 h ASP 95 N -0.62 0.92 -1.01 0.86 2.03 -1.94 -3.47 116.42 113.18 1x02 h ASP 95 Ca -0.01 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1x02 h ASP 95 Cb 0.09 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1x02 h ASP 95 CO 0.02 0.73 0.00 0.61 -1.03 0.00 0.00 179.24 179.57 1x02 n GLY 96 N -1.24 0.83 0.13 7.15 0.00 -1.26 -5.01 105.19 105.79 1x02 n GLY 96 Ca 0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 0.68 1.98 0.00 1.61 6.94 -1.26 -5.04 115.26 120.17 1x02 n ASN 97 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1x02 n ASN 97 Cb 0.40 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 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 1.87 2.26 3.81 4.83 0.00 -1.26 -5.13 105.19 111.56 1x02 n GLY 98 Ca -0.47 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 3.58 -0.36 1.61 1.51 -1.26 -3.34 117.35 119.09 1x02 s TYR 99 Ca 0.00 0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 56.62 1x02 s TYR 99 Cb 0.00 -2.20 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1x02 s TYR 99 CO 0.00 0.51 0.22 0.42 -1.11 0.00 0.00 175.55 175.60 1x02 s ILE 100 N -0.46 4.89 0.89 2.71 1.01 -1.11 -4.88 121.20 124.25 1x02 s ILE 100 Ca 0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1x02 s ILE 100 Cb -0.14 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.84 1x02 s ILE 100 CO 0.06 -0.13 1.19 -0.94 0.00 0.00 0.00 174.94 175.12 1x02 s SER 101 N 1.63 3.76 0.12 3.58 1.04 -1.26 -1.17 113.70 121.40 1x02 s SER 101 Ca 0.04 0.72 -0.15 0.00 0.48 0.00 0.00 55.95 57.04 1x02 s SER 101 Cb -0.18 -1.14 -0.03 0.00 0.10 0.00 0.00 66.02 64.77 1x02 s SER 101 CO 0.08 -2.37 1.56 0.00 0.98 0.00 0.00 173.24 173.49 1x02 h ALA 102 N -1.38 0.50 -0.09 5.32 0.00 -1.99 -2.57 119.26 119.05 1x02 h ALA 102 Ca -0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 1x02 h ALA 102 Cb 1.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1x02 h ALA 102 CO 0.58 0.27 0.05 0.00 0.00 0.00 0.00 179.25 180.15 1x02 h ALA 103 N 0.87 0.12 0.27 0.00 0.00 -1.95 0.47 119.26 119.05 1x02 h ALA 103 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x02 h ALA 103 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1x02 h ALA 103 CO 0.02 -0.35 -0.35 0.93 0.00 0.00 0.00 179.25 179.50 1x02 h GLU 104 N 0.07 -0.61 -0.38 0.00 5.08 -1.90 -2.40 114.58 114.44 1x02 h GLU 104 Ca 0.03 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1x02 h GLU 104 Cb 0.06 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1x02 h GLU 104 CO -0.01 -0.41 0.24 1.25 -1.00 0.00 0.00 179.01 179.09 1x02 h LEU 105 N -0.64 0.41 -0.99 1.33 6.46 -1.48 -2.93 115.31 117.48 1x02 h LEU 105 Ca -0.03 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.84 1x02 h LEU 105 Cb 0.57 -0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 40.27 1x02 h LEU 105 CO -0.09 0.29 -0.51 -1.14 -0.62 0.00 0.00 178.44 176.38 1x02 n ARG 106 N -4.84 -0.36 0.10 1.25 0.63 0.17 -0.67 116.66 112.94 1x02 n ARG 106 Ca 0.00 1.50 -0.12 0.00 -0.92 0.00 0.00 57.85 58.31 1x02 n ARG 106 Cb 0.04 -2.22 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 1x02 n ARG 106 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1x02 h HIS 107 N 0.00 -0.50 -0.96 -0.14 2.76 -1.29 -2.08 115.15 112.94 1x02 h HIS 107 Ca 0.23 0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.68 1x02 h HIS 107 Cb 0.48 0.21 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 1x02 h HIS 107 CO -0.96 -0.28 0.47 0.28 -1.30 0.00 0.00 177.93 176.14 1x02 h VAL 108 N -0.37 0.39 -0.29 5.26 2.07 -0.72 0.18 116.25 122.77 1x02 h VAL 108 Ca 0.03 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1x02 h VAL 108 Cb 0.39 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1x02 h VAL 108 CO -0.11 0.07 0.05 0.24 0.02 0.00 0.00 177.57 177.85 1x02 h MET 109 N 0.37 0.48 0.03 1.57 2.86 -0.36 -3.16 114.93 116.72 1x02 h MET 109 Ca 0.64 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 58.19 1x02 h MET 109 Cb 1.34 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1x02 h MET 109 CO -0.57 0.58 -0.38 1.15 1.06 0.00 0.00 176.91 178.75 1x02 h THR 110 N 0.30 0.22 -0.90 2.22 2.02 -0.09 -1.90 112.91 114.79 1x02 h THR 110 Ca 0.09 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.51 1x02 h THR 110 Cb 0.32 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 66.79 1x02 h THR 110 CO 0.00 0.00 0.08 0.78 0.37 0.00 0.00 175.52 176.75 1x02 h ASN 111 N -0.55 -0.32 -0.99 4.18 4.21 -1.39 0.48 115.58 121.20 1x02 h ASN 111 Ca 0.05 0.24 0.32 0.00 1.21 0.00 0.00 56.30 58.11 1x02 h ASN 111 Cb 0.62 0.39 -0.15 0.00 -1.12 0.00 0.00 38.32 38.06 1x02 h ASN 111 CO -0.28 -0.26 0.51 -0.07 -1.29 0.00 0.00 177.43 176.04 1x02 h LEU 112 N 0.08 0.39 0.00 1.61 3.38 -1.31 -3.45 115.31 116.02 1x02 h LEU 112 Ca 0.54 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.71 1x02 h LEU 112 Cb 1.08 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1x02 h LEU 112 CO -0.79 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.17 1x02 n GLY 113 N -1.30 4.53 3.76 0.83 0.00 0.17 -5.12 105.19 108.06 1x02 n GLY 113 Ca 0.31 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 4.45 -0.48 1.61 0.41 -1.25 -4.99 118.70 118.46 1x02 s GLU 114 Ca 0.00 2.06 -0.20 0.00 -0.41 0.00 0.00 54.97 56.43 1x02 s GLU 114 Cb 0.00 -3.12 0.04 0.00 -1.78 0.00 0.00 34.13 29.27 1x02 s GLU 114 CO 0.00 -0.07 0.62 0.15 -0.49 0.00 0.00 175.26 175.47 1x02 s LYS 115 N -1.46 3.17 0.27 1.61 1.02 -1.26 -4.03 119.74 119.05 1x02 s LYS 115 Ca 0.48 -0.70 0.11 0.00 0.02 0.00 0.00 55.97 55.89 1x02 s LYS 115 Cb -0.37 -4.04 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 1x02 s LYS 115 CO 0.47 -1.13 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.13 1x02 s LEU 116 N 2.68 2.77 0.23 3.17 1.43 -1.26 -5.10 118.68 122.60 1x02 s LEU 116 Ca 0.18 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1x02 s LEU 116 Cb -0.17 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1x02 s LEU 116 CO 0.14 0.03 -0.06 0.42 0.23 0.00 0.00 176.35 177.11 1x02 s THR 117 N -2.40 1.39 0.28 5.49 -4.23 -1.26 -4.95 115.64 109.96 1x02 s THR 117 Ca 0.30 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 58.85 1x02 s THR 117 Cb -0.06 -2.24 0.28 0.00 1.34 0.00 0.00 72.50 71.82 1x02 s THR 117 CO 0.16 -0.44 1.24 -0.67 -0.54 0.00 0.00 174.62 174.37 1x02 n ASP 118 N -0.43 0.23 0.23 3.99 -0.08 -1.26 0.98 116.55 120.20 1x02 n ASP 118 Ca -0.07 1.31 -0.15 0.00 -1.51 0.00 0.00 54.79 54.37 1x02 n ASP 118 Cb 0.62 -0.62 -0.08 0.00 2.34 0.00 0.00 41.12 43.39 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 -0.54 -0.31 -0.67 4.39 -1.98 0.38 114.58 115.85 1x02 h GLU 119 Ca 0.64 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.45 1x02 h GLU 119 Cb 1.67 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 30.36 1x02 h GLU 119 CO -0.62 -0.29 -0.31 0.93 -1.16 0.00 0.00 179.01 177.56 1x02 h GLU 120 N -0.70 -0.28 -0.39 2.33 4.39 0.23 -1.31 114.58 118.86 1x02 h GLU 120 Ca -0.06 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1x02 h GLU 120 Cb 0.50 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1x02 h GLU 120 CO 0.09 -0.18 0.09 0.28 -1.16 0.00 0.00 179.01 178.13 1x02 h VAL 121 N -0.29 1.23 -0.68 3.13 2.07 -1.37 -3.05 116.25 117.29 1x02 h VAL 121 Ca 0.15 -0.78 0.14 0.00 0.82 0.00 0.00 66.70 67.03 1x02 h VAL 121 Cb 0.53 1.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.17 1x02 h VAL 121 CO -0.47 0.27 -0.11 0.44 0.02 0.00 0.00 177.57 177.71 1x02 h ASP 122 N 0.48 -0.53 -0.33 0.57 5.19 0.59 0.65 116.42 123.04 1x02 h ASP 122 Ca 0.12 0.20 0.06 0.00 -0.62 0.00 0.00 57.03 56.79 1x02 h ASP 122 Cb 0.31 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1x02 h ASP 122 CO 0.00 -0.20 0.23 -0.33 -3.12 0.00 0.00 179.24 175.81 1x02 h GLU 123 N 0.03 0.15 0.00 3.56 5.08 -1.16 -1.91 114.58 120.34 1x02 h GLU 123 Ca 0.34 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1x02 h GLU 123 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x02 h GLU 123 CO -0.67 0.10 -0.08 1.98 -1.00 0.00 0.00 179.01 179.34 1x02 h MET 124 N 0.16 0.05 -0.60 2.33 4.05 0.20 -3.28 114.93 117.83 1x02 h MET 124 Ca 0.15 -0.06 0.11 0.00 -0.28 0.00 0.00 59.70 59.62 1x02 h MET 124 Cb 0.38 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.12 1x02 h MET 124 CO -0.02 0.86 0.14 0.82 0.23 0.00 0.00 176.91 178.94 1x02 h ILE 125 N -0.73 0.65 0.00 1.77 2.04 -0.36 0.56 117.51 121.44 1x02 h ILE 125 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1x02 h ILE 125 Cb 0.89 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1x02 h ILE 125 CO 0.02 0.05 0.00 -2.11 0.00 0.00 0.00 178.15 176.11 1x02 n ARG 126 N -5.12 0.04 -0.10 2.37 1.85 -0.76 0.61 116.66 115.55 1x02 n ARG 126 Ca 0.09 0.32 -0.20 0.00 -1.00 0.00 0.00 57.85 57.06 1x02 n ARG 126 Cb 0.32 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.38 0.55 0.06 2.89 2.13 0.19 -4.58 120.64 120.50 1x02 n GLU 127 Ca 0.02 0.52 -0.22 0.00 0.66 0.00 0.00 57.16 58.14 1x02 n GLU 127 Cb 0.04 -1.70 -0.15 0.00 0.27 0.00 0.00 31.44 29.91 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x02 h ALA 128 N -0.65 0.03 -0.54 4.31 0.00 -1.11 -3.45 119.26 117.85 1x02 h ALA 128 Ca -0.33 -0.94 -0.58 0.00 0.00 0.00 0.00 54.91 53.06 1x02 h ALA 128 Cb 1.21 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1x02 h ALA 128 CO -0.20 0.71 1.59 -3.47 0.00 0.00 0.00 179.25 177.87 1x02 n ASP 129 N -3.88 1.15 -0.07 0.00 2.03 0.20 -4.80 116.55 111.18 1x02 n ASP 129 Ca -0.20 0.18 -0.10 0.00 0.52 0.00 0.00 54.79 55.18 1x02 n ASP 129 Cb 0.95 -1.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.15 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 7.58 1.00 -0.35 5.18 1.08 -1.86 -3.37 117.51 126.76 1x02 h ILE 130 Ca -0.14 -1.83 -0.01 0.00 -0.39 0.00 0.00 64.86 62.49 1x02 h ILE 130 Cb 1.32 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 37.03 1x02 h ILE 130 CO 1.21 0.34 0.20 -2.24 -0.69 0.00 0.00 178.15 176.97 1x02 h ASP 131 N -1.00 0.44 0.00 1.72 3.04 -1.92 -3.47 116.42 115.22 1x02 h ASP 131 Ca -0.05 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 1x02 h ASP 131 Cb 0.73 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 1x02 h ASP 131 CO -0.03 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.17 1x02 n GLY 132 N -0.99 0.87 0.76 7.15 0.00 -1.26 -5.03 105.19 106.69 1x02 n GLY 132 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.96 -2.08 1.61 5.75 -1.26 -4.94 116.55 118.58 1x02 n ASP 133 Ca 0.00 -3.32 -0.21 0.00 -0.01 0.00 0.00 54.79 51.25 1x02 n ASP 133 Cb 0.00 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 39.50 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 -0.95 0.50 3.22 6.12 0.00 -1.26 -4.97 105.19 107.85 1x02 n GLY 134 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.54 0.97 -0.41 1.61 -0.21 -1.26 -4.12 119.66 111.70 1x02 s GLN 135 Ca 0.00 -1.38 0.02 0.00 0.02 0.00 0.00 55.36 54.02 1x02 s GLN 135 Cb 0.00 -0.49 0.14 0.00 1.00 0.00 0.00 33.01 33.66 1x02 s GLN 135 CO 0.00 0.05 0.25 0.08 -2.12 0.00 0.00 175.29 173.55 1x02 s VAL 136 N -3.28 0.78 1.19 1.09 1.01 -0.31 -4.38 120.40 116.50 1x02 s VAL 136 Ca 0.14 -2.27 -0.19 0.00 0.00 0.00 0.00 61.98 59.65 1x02 s VAL 136 Cb 0.03 -1.56 0.28 0.00 0.00 0.00 0.00 36.38 35.13 1x02 s VAL 136 CO -0.01 -0.98 1.15 0.54 0.00 0.00 0.00 175.10 175.79 1x02 s ASN 137 N 0.55 1.07 0.18 3.32 2.20 -1.26 -2.74 114.94 118.26 1x02 s ASN 137 Ca 0.20 0.51 -0.18 0.00 -0.94 0.00 0.00 52.86 52.45 1x02 s ASN 137 Cb -0.19 -0.67 0.12 0.00 -2.00 0.00 0.00 41.25 38.51 1x02 s ASN 137 CO -0.03 -4.02 1.64 0.22 -2.94 0.00 0.00 177.10 171.97 1x02 h TYR 138 N -2.51 -0.44 0.34 1.54 5.03 -1.97 0.30 116.97 119.26 1x02 h TYR 138 Ca -0.44 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 60.91 1x02 h TYR 138 Cb 1.28 0.26 -0.02 0.00 1.55 0.00 0.00 36.73 39.80 1x02 h TYR 138 CO -2.26 -0.26 -0.39 1.49 -1.32 0.00 0.00 178.16 175.41 1x02 h GLU 139 N -0.09 -0.71 -0.98 1.82 4.81 -1.92 0.33 114.58 117.83 1x02 h GLU 139 Ca 0.21 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.66 1x02 h GLU 139 Cb 0.41 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 1x02 h GLU 139 CO -0.50 -0.48 0.59 0.93 -0.73 0.00 0.00 179.01 178.83 1x02 h GLU 140 N -0.74 0.77 -0.42 1.92 5.08 -1.80 -0.64 114.58 118.76 1x02 h GLU 140 Ca -0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1x02 h GLU 140 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1x02 h GLU 140 CO -0.07 0.51 0.10 0.35 -1.00 0.00 0.00 179.01 178.90 1x02 h PHE 141 N 0.80 0.71 -0.54 4.33 3.57 0.12 -2.97 116.94 122.96 1x02 h PHE 141 Ca 0.55 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 62.04 1x02 h PHE 141 Cb 0.78 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1x02 h PHE 141 CO -0.02 0.67 0.19 0.28 -2.23 0.00 0.00 178.31 177.20 1x02 h VAL 142 N 0.55 0.80 -0.43 1.41 2.07 0.12 -2.04 116.25 118.72 1x02 h VAL 142 Ca 0.13 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1x02 h VAL 142 Cb 0.31 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1x02 h VAL 142 CO 0.00 0.07 0.12 1.56 0.02 0.00 0.00 177.57 179.33 1x02 h GLN 143 N 0.36 0.26 -0.52 1.57 1.08 -1.29 -2.14 115.11 114.43 1x02 h GLN 143 Ca 0.27 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.55 1x02 h GLN 143 Cb 0.31 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.59 1x02 h GLN 143 CO -0.28 0.17 -0.03 1.98 -0.95 0.00 0.00 178.83 179.73 1x02 h MET 144 N 0.26 0.09 -0.74 1.46 4.05 -1.22 -0.31 114.93 118.52 1x02 h MET 144 Ca 0.21 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.70 1x02 h MET 144 Cb 0.23 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.95 1x02 h MET 144 CO -0.24 0.06 0.41 0.52 0.23 0.00 0.00 176.91 177.89 1x02 h MET 145 N 0.09 0.71 -1.04 0.39 2.86 -1.13 -1.78 114.93 115.03 1x02 h MET 145 Ca 0.26 -0.04 -0.65 0.00 -2.06 0.00 0.00 59.70 57.21 1x02 h MET 145 Cb 0.41 -0.16 -0.28 0.00 0.06 0.00 0.00 31.60 31.63 1x02 h MET 145 CO -0.46 0.47 0.84 0.25 1.06 0.00 0.00 176.91 179.07 1x02 n THR 146 N -4.77 3.57 -3.40 2.22 -2.24 -0.26 -4.82 114.28 104.58 1x02 n THR 146 Ca 0.11 -2.83 -0.06 0.00 -2.27 0.00 0.00 64.05 58.99 1x02 n THR 146 Cb 0.22 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.20 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 -3.67 -1.36 0.00 6.98 0.00 -0.43 -4.94 121.76 118.33 1x02 s ALA 147 Ca 0.62 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1x02 s ALA 147 Cb 0.49 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1x02 s ALA 147 CO -0.01 -1.14 0.02 1.17 0.00 0.00 0.00 175.76 175.80