#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 -0.68 0.00 2.03 -2.11 -2.68 116.42 112.98 1x02 h ASP 2 Ca 0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 1x02 h ASP 2 Cb 0.00 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 38.35 1x02 h ASP 2 CO 0.00 0.38 0.32 0.00 -1.03 0.00 0.00 179.24 178.92 1x02 n GLN 3 N -3.79 2.94 -3.15 4.15 6.02 -1.26 -4.75 117.38 117.54 1x02 n GLN 3 Ca -0.01 -2.54 0.05 0.00 -0.01 0.00 0.00 57.00 54.48 1x02 n GLN 3 Cb 0.46 -2.04 -0.01 0.00 1.02 0.00 0.00 30.24 29.66 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1x02 s LEU 4 N -2.55 -1.08 0.22 1.08 2.34 -1.01 -4.83 118.68 112.85 1x02 s LEU 4 Ca 0.46 0.55 0.00 0.00 0.06 0.00 0.00 54.13 55.20 1x02 s LEU 4 Cb 0.38 1.86 0.00 0.00 -0.56 0.00 0.00 46.19 47.86 1x02 s LEU 4 CO 0.11 -0.20 0.00 0.41 -1.06 0.00 0.00 176.35 175.61 1x02 n THR 5 N 5.42 0.46 0.00 5.48 -1.04 -1.26 -4.82 114.28 118.52 1x02 n THR 5 Ca -0.01 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1x02 n THR 5 Cb 0.53 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 -3.49 1.51 -0.10 -2.82 1.02 -1.26 -4.57 120.64 110.93 1x02 n GLU 6 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1x02 n GLU 6 Cb 0.00 -0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.56 0.14 3.49 9.09 -1.96 -2.19 114.58 123.70 1x02 h GLU 7 Ca 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 59.36 59.19 1x02 h GLU 7 Cb 0.40 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1x02 h GLU 7 CO 0.00 0.76 -0.07 1.96 0.05 0.00 0.00 179.01 181.71 1x02 h GLN 8 N 0.31 -0.18 -0.96 1.06 1.08 -1.88 -3.20 115.11 111.34 1x02 h GLN 8 Ca 0.07 0.01 0.27 0.00 -1.45 0.00 0.00 58.65 57.56 1x02 h GLN 8 Cb 0.56 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 27.89 1x02 h GLN 8 CO 0.03 0.12 0.48 0.82 -0.95 0.00 0.00 178.83 179.34 1x02 h ILE 9 N -0.99 0.38 -0.59 2.54 5.03 -1.81 0.30 117.51 122.37 1x02 h ILE 9 Ca -0.02 -0.13 0.02 0.00 -0.12 0.00 0.00 64.86 64.62 1x02 h ILE 9 Cb 0.39 -0.02 -0.04 0.00 -3.03 0.00 0.00 36.82 34.12 1x02 h ILE 9 CO 0.03 0.07 0.36 0.00 -0.68 0.00 0.00 178.15 177.93 1x02 h ALA 10 N 1.79 0.76 0.49 1.87 0.00 -1.48 0.16 119.26 122.85 1x02 h ALA 10 Ca 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 1x02 h ALA 10 Cb 1.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x02 h ALA 10 CO -0.58 0.10 -0.23 0.93 0.00 0.00 0.00 179.25 179.47 1x02 h GLU 11 N 0.72 -0.63 -0.17 0.00 5.08 -0.44 -0.45 114.58 118.69 1x02 h GLU 11 Ca 0.23 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1x02 h GLU 11 Cb 0.01 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x02 h GLU 11 CO -0.09 -0.34 0.12 0.74 -1.00 0.00 0.00 179.01 178.44 1x02 h PHE 12 N -0.85 0.02 0.26 4.33 0.04 -1.19 -1.95 116.94 117.61 1x02 h PHE 12 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1x02 h PHE 12 Cb 0.58 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1x02 h PHE 12 CO -0.00 0.01 -0.12 -0.22 -0.60 0.00 0.00 178.31 177.37 1x02 h LYS 13 N 0.02 -0.34 -0.95 1.51 3.64 -0.45 -1.81 116.57 118.19 1x02 h LYS 13 Ca 0.08 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.75 1x02 h LYS 13 Cb 0.29 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.05 1x02 h LYS 13 CO -0.00 -0.22 0.45 0.93 -2.27 0.00 0.00 179.45 178.34 1x02 h GLU 14 N -0.69 0.34 0.00 1.90 4.39 -0.96 1.17 114.58 120.72 1x02 h GLU 14 Ca -0.04 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1x02 h GLU 14 Cb 0.27 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1x02 h GLU 14 CO 0.06 0.23 -0.42 0.00 -1.16 0.00 0.00 179.01 177.72 1x02 h ALA 15 N 1.79 1.11 0.00 3.43 0.00 -1.42 -2.41 119.26 121.75 1x02 h ALA 15 Ca 0.64 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x02 h ALA 15 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x02 h ALA 15 CO -0.58 0.52 -0.67 0.34 0.00 0.00 0.00 179.25 178.86 1x02 n PHE 16 N -3.74 0.39 0.07 0.00 7.35 0.34 -4.03 117.46 117.84 1x02 n PHE 16 Ca -0.01 0.11 -0.22 0.00 -0.76 0.00 0.00 57.45 56.58 1x02 n PHE 16 Cb 0.49 -0.53 -0.15 0.00 0.35 0.00 0.00 39.48 39.64 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 0.00 0.57 -0.81 -2.13 0.02 0.69 -3.21 113.55 108.68 1x02 h SER 17 Ca 0.00 -0.84 0.08 0.00 -0.84 0.00 0.00 61.79 60.19 1x02 h SER 17 Cb 0.69 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1x02 h SER 17 CO 0.00 1.71 0.47 0.17 -1.14 0.00 0.00 176.83 178.04 1x02 h LEU 18 N 0.10 0.69 -0.28 5.07 8.10 -1.58 -2.22 115.31 125.18 1x02 h LEU 18 Ca -0.32 0.04 -0.06 0.00 0.11 0.00 0.00 57.88 57.65 1x02 h LEU 18 Cb 2.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 42.20 1x02 h LEU 18 CO 0.18 0.41 -0.07 -0.26 -4.11 0.00 0.00 178.44 174.59 1x02 h PHE 19 N 0.81 0.61 -1.67 0.17 0.04 -1.72 -3.40 116.94 111.79 1x02 h PHE 19 Ca 0.38 -0.13 -0.44 0.00 2.80 0.00 0.00 57.97 60.58 1x02 h PHE 19 Cb 0.31 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1x02 h PHE 19 CO -0.06 0.75 1.24 0.34 -0.60 0.00 0.00 178.31 179.98 1x02 s ASP 20 N -6.15 5.10 -0.12 2.17 2.15 -0.84 -4.71 116.67 114.29 1x02 s ASP 20 Ca -0.13 0.24 -0.18 0.00 0.43 0.00 0.00 52.55 52.91 1x02 s ASP 20 Cb 0.08 -2.53 -0.26 0.00 -0.30 0.00 0.00 42.92 39.90 1x02 s ASP 20 CO 0.77 -2.55 0.56 0.11 -0.17 0.00 0.00 175.17 173.89 1x02 h LYS 21 N 14.82 0.19 -0.24 4.34 1.79 -1.78 -3.37 116.57 132.32 1x02 h LYS 21 Ca -0.19 -0.33 0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1x02 h LYS 21 Cb 1.14 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1x02 h LYS 21 CO 1.20 1.16 0.15 0.38 -1.08 0.00 0.00 179.45 181.26 1x02 h ASP 22 N -0.46 0.25 0.00 0.86 3.04 -1.94 -3.47 116.42 114.70 1x02 h ASP 22 Ca -0.27 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1x02 h ASP 22 Cb 1.63 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.86 1x02 h ASP 22 CO 0.03 0.18 0.00 0.61 -2.04 0.00 0.00 179.24 178.02 1x02 n GLY 23 N -1.16 0.98 0.47 7.15 0.00 -1.26 -5.05 105.19 106.32 1x02 n GLY 23 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.33 0.00 1.61 5.75 -1.26 -5.05 116.55 118.93 1x02 n ASP 24 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1x02 n ASP 24 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 2.17 0.66 3.25 6.12 0.00 -1.26 -5.13 105.19 111.00 1x02 n GLY 25 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.81 0.10 -0.38 2.61 -4.23 -1.26 -4.05 115.64 107.62 1x02 s THR 26 Ca 0.00 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1x02 s THR 26 Cb 0.00 -1.78 0.12 0.00 1.34 0.00 0.00 72.50 72.19 1x02 s THR 26 CO 0.00 -0.46 0.19 -0.63 -0.54 0.00 0.00 174.62 173.18 1x02 s ILE 27 N -3.97 0.91 0.61 2.99 1.01 -0.14 -4.42 121.20 118.19 1x02 s ILE 27 Ca 0.16 -1.96 0.01 0.00 0.00 0.00 0.00 60.65 58.86 1x02 s ILE 27 Cb 0.05 -1.66 0.06 0.00 0.01 0.00 0.00 42.46 40.92 1x02 s ILE 27 CO -0.02 -0.84 0.85 0.28 0.00 0.00 0.00 174.94 175.20 1x02 s THR 28 N 0.95 2.47 0.36 2.92 -1.32 -1.26 -3.42 115.64 116.34 1x02 s THR 28 Ca 0.15 -0.63 0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1x02 s THR 28 Cb -0.22 -2.84 0.36 0.00 -1.51 0.00 0.00 72.50 68.29 1x02 s THR 28 CO -0.08 0.00 1.72 0.71 -2.21 0.00 0.00 174.62 174.76 1x02 h THR 29 N -0.13 0.45 -0.36 5.08 1.35 -1.96 0.28 112.91 117.61 1x02 h THR 29 Ca -0.40 -0.14 0.05 0.00 -0.55 0.00 0.00 66.41 65.36 1x02 h THR 29 Cb 1.29 -0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 1x02 h THR 29 CO 0.49 0.08 0.10 0.50 -0.25 0.00 0.00 175.52 176.43 1x02 h LYS 30 N 0.42 0.23 0.09 4.72 1.63 -1.96 0.74 116.57 122.43 1x02 h LYS 30 Ca 0.66 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.44 1x02 h LYS 30 Cb 1.54 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1x02 h LYS 30 CO -0.43 0.15 -0.04 0.93 -3.45 0.00 0.00 179.45 176.61 1x02 h GLU 31 N 0.23 -0.12 -0.84 1.90 5.08 -1.04 -2.89 114.58 116.91 1x02 h GLU 31 Ca 0.17 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 1x02 h GLU 31 Cb 0.16 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 1x02 h GLU 31 CO -0.19 -0.08 0.40 1.25 -1.00 0.00 0.00 179.01 179.39 1x02 h LEU 32 N -0.96 0.42 -1.53 1.33 5.85 -0.65 0.30 115.31 120.07 1x02 h LEU 32 Ca -0.01 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1x02 h LEU 32 Cb 0.09 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1x02 h LEU 32 CO 0.02 0.14 -0.22 1.23 -0.34 0.00 0.00 178.44 179.26 1x02 h GLY 33 N 0.53 0.00 1.94 3.75 0.00 0.37 0.47 103.07 110.13 1x02 h GLY 33 Ca 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 1x02 h GLY 33 CO -0.42 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 175.62 1x02 h THR 34 N 0.00 0.76 0.00 4.70 1.03 -0.24 -2.93 112.91 116.23 1x02 h THR 34 Ca -0.00 -2.08 -0.28 0.00 -0.01 0.00 0.00 66.41 64.04 1x02 h THR 34 Cb 0.53 2.36 -0.05 0.00 -1.07 0.00 0.00 68.15 69.92 1x02 h THR 34 CO 0.03 0.43 -2.12 0.52 -0.01 0.00 0.00 175.52 174.37 1x02 n VAL 35 N -3.19 1.17 -0.03 0.00 0.31 -0.46 -4.06 118.33 112.07 1x02 n VAL 35 Ca 0.02 -0.77 -0.15 0.00 -0.01 0.00 0.00 64.34 63.43 1x02 n VAL 35 Cb 0.72 -0.49 -0.03 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.75 0.00 5.55 2.86 -0.15 -3.01 114.93 120.93 1x02 h MET 36 Ca -0.38 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 56.71 1x02 h MET 36 Cb 1.94 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.69 1x02 h MET 36 CO 0.03 1.16 -0.04 0.07 1.06 0.00 0.00 176.91 179.19 1x02 h ARG 37 N 0.54 0.00 -0.10 1.72 -0.00 -1.71 -2.71 114.38 112.12 1x02 h ARG 37 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.92 1x02 h ARG 37 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.23 1x02 h ARG 37 CO 0.14 0.04 -0.13 0.77 -0.00 0.00 0.00 179.97 180.79 1x02 h SER 38 N 0.00 0.15 0.18 0.08 0.02 -1.67 -2.94 113.55 109.37 1x02 h SER 38 Ca -0.00 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 1x02 h SER 38 Cb 0.50 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.02 1x02 h SER 38 CO 0.01 0.30 -1.40 -0.07 -1.14 0.00 0.00 176.83 174.52 1x02 h LEU 39 N 0.15 0.59 0.00 5.07 3.38 -1.60 -3.48 115.31 119.42 1x02 h LEU 39 Ca 0.03 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1x02 h LEU 39 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x02 h LEU 39 CO 0.02 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.80 1x02 n GLY 40 N 1.75 0.18 0.22 0.83 0.00 -1.11 -5.09 105.19 101.97 1x02 n GLY 40 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 0.40 -3.74 1.61 1.13 -1.14 -5.02 117.38 110.61 1x02 n GLN 41 Ca 0.00 0.16 -0.26 0.00 -1.94 0.00 0.00 57.00 54.96 1x02 n GLN 41 Cb 0.00 -1.20 0.02 0.00 0.11 0.00 0.00 30.24 29.18 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 -4.12 -2.81 -4.37 1.08 4.13 -1.26 -4.95 115.26 102.97 1x02 n ASN 42 Ca -0.11 -0.95 -0.29 0.00 1.68 0.00 0.00 54.58 54.92 1x02 n ASN 42 Cb 0.39 -3.55 0.20 0.00 -1.54 0.00 0.00 39.78 35.29 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 -6.07 -0.24 0.18 3.52 0.04 -1.26 -5.05 135.00 126.12 1x02 s PRO 43 Ca 0.21 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.59 1x02 s PRO 43 Cb -0.07 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1x02 s PRO 43 CO 0.85 -3.13 0.13 0.95 0.04 0.00 0.00 177.00 175.84 1x02 s THR 44 N -2.98 4.41 0.09 1.26 -4.23 -1.26 -4.85 115.64 108.08 1x02 s THR 44 Ca 0.67 -1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1x02 s THR 44 Cb -0.16 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1x02 s THR 44 CO 0.57 -0.15 1.01 -0.62 -0.54 0.00 0.00 174.62 174.89 1x02 n GLU 45 N -0.47 -0.25 -0.31 3.99 1.02 -1.26 0.19 120.64 123.55 1x02 n GLU 45 Ca -0.08 0.99 0.15 0.00 -0.02 0.00 0.00 57.16 58.20 1x02 n GLU 45 Cb 0.55 -1.47 0.33 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.15 1.53 0.30 0.62 0.00 -1.99 0.23 119.26 120.10 1x02 h ALA 46 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x02 h ALA 46 Cb 0.23 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1x02 h ALA 46 CO -0.53 -0.36 -0.14 0.93 0.00 0.00 0.00 179.25 179.14 1x02 h GLU 47 N 0.41 -0.39 -0.29 0.00 4.39 0.18 -2.31 114.58 116.57 1x02 h GLU 47 Ca 0.59 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.38 1x02 h GLU 47 Cb 1.15 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 1x02 h GLU 47 CO -0.54 -0.05 -0.20 -0.07 -1.16 0.00 0.00 179.01 176.99 1x02 h LEU 48 N -0.85 -0.66 -0.11 1.33 3.38 0.48 -0.95 115.31 117.93 1x02 h LEU 48 Ca -0.04 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1x02 h LEU 48 Cb 0.52 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1x02 h LEU 48 CO 0.07 -0.24 -0.20 1.56 0.09 0.00 0.00 178.44 179.72 1x02 h GLN 49 N -0.18 -0.25 -0.83 1.13 1.08 -0.66 0.30 115.11 115.69 1x02 h GLN 49 Ca 0.15 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.53 1x02 h GLN 49 Cb 0.41 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1x02 h GLN 49 CO -0.39 -0.17 0.55 -0.44 -0.95 0.00 0.00 178.83 177.43 1x02 h ASP 50 N -0.26 0.48 -0.01 1.46 5.19 -0.81 0.26 116.42 122.72 1x02 h ASP 50 Ca 0.09 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.39 1x02 h ASP 50 Cb 0.40 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.86 1x02 h ASP 50 CO -0.26 0.23 -0.55 0.24 -3.12 0.00 0.00 179.24 175.77 1x02 h MET 51 N 0.50 0.39 -0.64 3.56 2.86 0.18 -3.06 114.93 118.72 1x02 h MET 51 Ca 0.42 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1x02 h MET 51 Cb 0.89 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1x02 h MET 51 CO -0.16 1.08 0.27 0.82 1.06 0.00 0.00 176.91 179.98 1x02 h ILE 52 N -0.13 1.23 -0.61 -1.22 2.04 0.61 -2.56 117.51 116.88 1x02 h ILE 52 Ca -0.07 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1x02 h ILE 52 Cb 1.26 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1x02 h ILE 52 CO 0.11 0.28 0.40 0.78 0.00 0.00 0.00 178.15 179.72 1x02 h ASN 53 N 0.90 0.68 -0.59 1.72 2.35 -0.61 0.34 115.58 120.36 1x02 h ASN 53 Ca 0.22 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1x02 h ASN 53 Cb 0.18 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 1x02 h ASN 53 CO -0.02 0.49 0.31 -0.33 -1.65 0.00 0.00 177.43 176.23 1x02 h GLU 54 N 0.80 0.57 0.11 0.81 4.39 -1.34 -2.76 114.58 117.16 1x02 h GLU 54 Ca 0.23 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.60 1x02 h GLU 54 Cb -0.05 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1x02 h GLU 54 CO -0.05 0.38 -1.41 0.28 -1.16 0.00 0.00 179.01 177.05 1x02 h VAL 55 N 0.59 1.29 -0.11 3.13 2.07 -1.39 -3.44 116.25 118.40 1x02 h VAL 55 Ca 0.26 -2.92 -0.27 0.00 0.82 0.00 0.00 66.70 64.58 1x02 h VAL 55 Cb 0.16 2.81 -0.09 0.00 -1.52 0.00 0.00 31.29 32.66 1x02 h VAL 55 CO -0.17 0.84 1.50 -0.67 0.02 0.00 0.00 177.57 179.09 1x02 n ASP 56 N -3.45 -0.51 0.00 0.57 -0.08 0.11 -4.75 116.55 108.44 1x02 n ASP 56 Ca -0.13 -0.77 0.00 0.00 -1.51 0.00 0.00 54.79 52.39 1x02 n ASP 56 Cb 1.03 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x02 n ALA 57 N 9.27 -0.13 -0.54 -1.67 0.00 -1.26 -3.70 120.51 122.47 1x02 n ALA 57 Ca 0.62 0.00 0.43 0.00 0.00 0.00 0.00 53.44 54.49 1x02 n ALA 57 Cb 0.22 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.91 0.12 -0.50 0.00 5.68 -1.26 -4.75 116.55 113.92 1x02 n ASP 58 Ca 0.00 1.15 0.00 0.00 -0.50 0.00 0.00 54.79 55.44 1x02 n ASP 58 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 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 -1.65 0.69 0.51 6.12 0.00 -1.24 -5.02 105.19 104.60 1x02 n GLY 59 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.08 1.39 0.00 1.61 6.94 -1.26 -5.10 115.26 118.92 1x02 n ASN 60 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1x02 n ASN 60 Cb 0.32 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 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 2.53 -0.00 3.73 4.83 0.00 -1.26 -5.12 105.19 109.90 1x02 n GLY 61 Ca -0.19 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 4.26 0.34 2.61 -4.23 -1.26 -4.62 115.64 112.74 1x02 s THR 62 Ca 0.00 1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 62.04 1x02 s THR 62 Cb 0.00 -4.16 -0.11 0.00 1.34 0.00 0.00 72.50 69.57 1x02 s THR 62 CO 0.00 0.25 1.41 -0.63 -0.54 0.00 0.00 174.62 175.11 1x02 s ILE 63 N 0.21 2.42 0.12 2.99 1.01 -1.22 -4.74 121.20 122.00 1x02 s ILE 63 Ca 0.50 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1x02 s ILE 63 Cb -0.26 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 38.96 1x02 s ILE 63 CO 0.31 0.09 0.09 0.47 0.00 0.00 0.00 174.94 175.90 1x02 n ASP 64 N 0.94 1.39 -0.13 3.58 8.00 -1.26 -0.97 116.55 128.10 1x02 n ASP 64 Ca 0.02 -1.42 -0.07 0.00 0.71 0.00 0.00 54.79 54.02 1x02 n ASP 64 Cb 0.40 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.54 0.49 -0.25 1.24 3.57 -1.96 0.32 116.94 120.88 1x02 h PHE 65 Ca -0.08 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 1x02 h PHE 65 Cb 0.28 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1x02 h PHE 65 CO 0.00 0.30 -0.25 -1.00 -2.23 0.00 0.00 178.31 175.13 1x02 h PRO 66 N 0.52 0.61 -0.09 6.41 0.13 -1.96 -3.20 132.00 134.43 1x02 h PRO 66 Ca 0.16 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1x02 h PRO 66 Cb -0.03 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.11 1x02 h PRO 66 CO -0.05 0.92 -0.01 0.93 -0.23 0.00 0.00 178.00 179.55 1x02 h GLU 67 N 0.32 0.16 -0.96 0.86 5.08 -1.84 -3.06 114.58 115.14 1x02 h GLU 67 Ca 0.04 -0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.63 1x02 h GLU 67 Cb 0.81 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.90 1x02 h GLU 67 CO 0.06 0.46 0.45 0.35 -1.00 0.00 0.00 179.01 179.33 1x02 h PHE 68 N -0.14 0.72 -1.12 4.33 3.04 -0.43 0.49 116.94 123.83 1x02 h PHE 68 Ca 0.02 0.04 0.32 0.00 3.98 0.00 0.00 57.97 62.34 1x02 h PHE 68 Cb 0.39 -0.16 -0.11 0.00 2.56 0.00 0.00 35.95 38.63 1x02 h PHE 68 CO 0.04 -0.19 0.71 -0.07 -2.02 0.00 0.00 178.31 176.79 1x02 h LEU 69 N 0.29 0.40 -0.20 0.59 3.38 -1.52 0.22 115.31 118.46 1x02 h LEU 69 Ca 0.67 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.75 1x02 h LEU 69 Cb 1.47 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1x02 h LEU 69 CO -0.63 -0.02 0.10 0.74 0.09 0.00 0.00 178.44 178.72 1x02 h THR 70 N 0.29 1.13 -0.16 0.22 2.02 -0.17 -2.63 112.91 113.61 1x02 h THR 70 Ca 0.68 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1x02 h THR 70 Cb 1.85 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 1x02 h THR 70 CO -0.38 0.13 -0.13 -0.03 0.37 0.00 0.00 175.52 175.48 1x02 h MET 71 N 0.19 -0.14 -0.91 6.66 1.85 -0.64 -1.20 114.93 120.75 1x02 h MET 71 Ca 0.07 0.01 0.16 0.00 -0.61 0.00 0.00 59.70 59.33 1x02 h MET 71 Cb 0.12 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.10 1x02 h MET 71 CO -0.01 -0.09 0.58 0.52 -0.40 0.00 0.00 176.91 177.51 1x02 h MET 72 N -0.14 0.61 0.39 0.39 2.07 -1.36 0.88 114.93 117.78 1x02 h MET 72 Ca 0.10 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.68 1x02 h MET 72 Cb 0.29 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 1x02 h MET 72 CO -0.25 0.41 -0.19 0.00 1.07 0.00 0.00 176.91 177.95 1x02 h ALA 73 N 1.61 -0.53 -0.01 6.32 0.00 -0.85 0.98 119.26 126.78 1x02 h ALA 73 Ca 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x02 h ALA 73 Cb 0.85 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x02 h ALA 73 CO -0.22 -0.78 -0.00 2.89 0.00 0.00 0.00 179.25 181.14 1x02 n ARG 74 N -5.30 1.29 -0.04 0.00 -4.01 -0.76 -3.46 116.66 104.37 1x02 n ARG 74 Ca -0.11 -0.43 0.01 0.00 -1.04 0.00 0.00 57.85 56.28 1x02 n ARG 74 Cb 0.24 -1.49 -0.12 0.00 -3.04 0.00 0.00 32.46 28.05 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 -0.48 1.03 -0.34 2.89 3.00 0.30 -4.48 118.16 120.06 1x02 n LYS 75 Ca 0.22 -0.08 0.14 0.00 -0.00 0.00 0.00 58.31 58.59 1x02 n LYS 75 Cb 0.22 -1.38 0.34 0.00 0.00 0.00 0.00 35.03 34.21 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 0.71 -0.09 1.64 2.86 0.96 0.28 114.93 121.29 1x02 h MET 76 Ca -0.20 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1x02 h MET 76 Cb 1.30 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1x02 h MET 76 CO 0.01 0.47 -0.37 1.57 1.06 0.00 0.00 176.91 179.65 1x02 h LYS 77 N 0.73 0.18 0.00 1.72 5.09 -1.79 -2.00 116.57 120.51 1x02 h LYS 77 Ca 0.57 -0.08 -0.03 0.00 0.09 0.00 0.00 60.65 61.20 1x02 h LYS 77 Cb 0.94 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 33.25 1x02 h LYS 77 CO -0.36 0.54 -0.16 -0.44 -2.09 0.00 0.00 179.45 176.93 1x02 h ASP 78 N 0.16 0.00 0.73 7.07 5.19 -0.68 -2.15 116.42 126.74 1x02 h ASP 78 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1x02 h ASP 78 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1x02 h ASP 78 CO 0.06 0.16 -1.15 1.07 -3.12 0.00 0.00 179.24 176.26 1x02 n THR 79 N -4.16 0.43 -0.26 0.35 5.66 -0.99 -4.29 114.28 111.02 1x02 n THR 79 Ca -0.02 -0.48 0.26 0.00 -3.05 0.00 0.00 64.05 60.75 1x02 n THR 79 Cb 0.24 -0.19 0.47 0.00 -1.55 0.00 0.00 70.33 69.30 1x02 n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1x02 n ASP 80 N -2.46 0.26 -0.22 1.09 -0.08 -0.79 -0.20 116.55 114.14 1x02 n ASP 80 Ca -0.00 1.26 0.21 0.00 -1.51 0.00 0.00 54.79 54.74 1x02 n ASP 80 Cb 0.53 -0.61 0.36 0.00 2.34 0.00 0.00 41.12 43.74 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x02 n SER 81 N -4.68 0.16 -0.22 1.67 7.64 -1.26 -0.38 113.62 116.55 1x02 n SER 81 Ca 0.30 0.88 0.01 0.00 1.01 0.00 0.00 58.87 61.07 1x02 n SER 81 Cb 1.03 -0.43 0.04 0.00 -1.01 0.00 0.00 64.21 63.83 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 -4.08 -0.11 0.01 1.43 2.13 0.72 0.16 120.64 120.90 1x02 n GLU 82 Ca 0.23 0.91 -0.10 0.00 0.66 0.00 0.00 57.16 58.86 1x02 n GLU 82 Cb 0.82 -1.35 -0.03 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.22 -1.38 5.31 5.08 -0.98 -0.49 114.58 121.90 1x02 h GLU 83 Ca 0.23 0.01 0.40 0.00 -1.00 0.00 0.00 59.36 59.00 1x02 h GLU 83 Cb 0.37 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1x02 h GLU 83 CO -0.59 -0.15 1.23 0.93 -1.00 0.00 0.00 179.01 179.43 1x02 h GLU 84 N -0.23 0.00 0.09 2.33 4.39 0.15 1.70 114.58 123.01 1x02 h GLU 84 Ca 0.09 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.48 1x02 h GLU 84 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1x02 h GLU 84 CO -0.25 0.00 -1.66 0.82 -1.16 0.00 0.00 179.01 176.77 1x02 h ILE 85 N 0.00 0.99 -0.77 3.13 2.04 -0.93 -3.37 117.51 118.59 1x02 h ILE 85 Ca 0.66 -2.69 0.14 0.00 1.00 0.00 0.00 64.86 63.96 1x02 h ILE 85 Cb 3.10 2.63 -0.14 0.00 -0.74 0.00 0.00 36.82 41.67 1x02 h ILE 85 CO -0.01 0.77 -0.29 0.03 0.00 0.00 0.00 178.15 178.65 1x02 h ARG 86 N 0.05 -0.06 -0.94 2.37 2.47 0.29 0.74 114.38 119.31 1x02 h ARG 86 Ca -0.29 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.62 1x02 h ARG 86 Cb 2.01 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 30.17 1x02 h ARG 86 CO 0.13 -0.04 -0.24 0.39 0.56 0.00 0.00 179.97 180.77 1x02 n GLU 87 N -5.48 -0.09 -0.06 0.04 -0.58 -1.18 0.64 120.64 113.91 1x02 n GLU 87 Ca 0.09 1.46 -0.09 0.00 -0.42 0.00 0.00 57.16 58.20 1x02 n GLU 87 Cb 0.39 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.06 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 1.84 0.30 -0.74 0.62 0.00 -1.09 -2.49 119.26 117.69 1x02 h ALA 88 Ca 0.44 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1x02 h ALA 88 Cb 0.68 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1x02 h ALA 88 CO -0.96 -0.29 0.43 0.35 0.00 0.00 0.00 179.25 178.78 1x02 h PHE 89 N 0.25 0.78 0.04 0.00 3.04 0.39 -2.65 116.94 118.80 1x02 h PHE 89 Ca 0.10 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1x02 h PHE 89 Cb 0.04 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.26 1x02 h PHE 89 CO -0.10 0.37 -0.28 0.00 -2.02 0.00 0.00 178.31 176.28 1x02 h ARG 90 N 0.77 -0.44 -0.66 1.11 3.08 -0.56 -1.92 114.38 115.76 1x02 h ARG 90 Ca 0.33 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.54 1x02 h ARG 90 Cb 0.21 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 1x02 h ARG 90 CO -0.19 -0.29 -0.22 0.28 -1.07 0.00 0.00 179.97 178.48 1x02 h VAL 91 N -0.45 0.26 -0.61 2.04 2.07 -1.14 0.85 116.25 119.27 1x02 h VAL 91 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1x02 h VAL 91 Cb 0.52 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1x02 h VAL 91 CO -0.21 0.00 0.31 -0.26 0.02 0.00 0.00 177.57 177.42 1x02 h PHE 92 N -0.05 0.56 -1.85 1.57 0.04 -1.29 -3.36 116.94 112.56 1x02 h PHE 92 Ca 0.30 0.02 -0.49 0.00 2.80 0.00 0.00 57.97 60.61 1x02 h PHE 92 Cb 0.52 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 1x02 h PHE 92 CO -0.58 0.24 1.19 0.34 -0.60 0.00 0.00 178.31 178.90 1x02 s ASP 93 N -5.51 5.62 0.04 2.17 -1.08 0.29 -4.12 116.67 114.08 1x02 s ASP 93 Ca -0.13 -0.19 -0.15 0.00 -0.52 0.00 0.00 52.55 51.56 1x02 s ASP 93 Cb 0.16 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 39.00 1x02 s ASP 93 CO 0.75 -2.19 1.24 0.11 0.52 0.00 0.00 175.17 175.60 1x02 h LYS 94 N 12.54 -0.38 -0.66 4.34 1.57 -1.76 -2.68 116.57 129.55 1x02 h LYS 94 Ca -0.18 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1x02 h LYS 94 Cb 1.09 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1x02 h LYS 94 CO 1.25 -0.25 0.41 0.38 -0.57 0.00 0.00 179.45 180.67 1x02 h ASP 95 N -0.39 0.77 -2.18 0.86 3.04 -1.92 -3.47 116.42 113.12 1x02 h ASP 95 Ca -0.02 -0.03 -0.09 0.00 -3.24 0.00 0.00 57.03 53.65 1x02 h ASP 95 Cb 0.36 -0.19 0.03 0.00 -1.04 0.00 0.00 39.33 38.49 1x02 h ASP 95 CO -0.07 0.58 -0.16 0.61 -2.04 0.00 0.00 179.24 178.16 1x02 n GLY 96 N -1.37 0.58 0.13 7.15 0.00 -1.01 -4.98 105.19 105.69 1x02 n GLY 96 Ca 0.07 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 0.32 2.03 0.00 1.61 6.94 -1.26 -5.01 115.26 119.89 1x02 n ASN 97 Ca -0.00 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1x02 n ASN 97 Cb 0.52 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 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 1.85 1.08 3.94 4.83 0.00 -1.26 -5.15 105.19 110.48 1x02 n GLY 98 Ca -0.36 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 3.11 -0.46 1.61 2.02 -1.26 -3.78 117.35 118.59 1x02 s TYR 99 Ca 0.00 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1x02 s TYR 99 Cb 0.00 -1.82 0.14 0.00 -0.40 0.00 0.00 41.96 39.88 1x02 s TYR 99 CO 0.00 0.16 0.26 0.42 -1.57 0.00 0.00 175.55 174.82 1x02 s ILE 100 N -2.18 1.46 0.90 2.71 1.01 -1.22 -4.79 121.20 119.10 1x02 s ILE 100 Ca 0.41 -2.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.24 1x02 s ILE 100 Cb -0.08 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.45 1x02 s ILE 100 CO 0.29 -0.92 0.81 -1.54 0.00 0.00 0.00 174.94 173.58 1x02 n SER 101 N 3.38 -0.67 -0.10 3.58 3.41 -1.26 -2.29 113.62 119.67 1x02 n SER 101 Ca 0.11 0.42 -0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1x02 n SER 101 Cb 0.35 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 62.96 1x02 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x02 h ALA 102 N -1.53 0.31 -0.56 7.33 0.00 -1.97 -2.06 119.26 120.78 1x02 h ALA 102 Ca -0.44 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1x02 h ALA 102 Cb 1.28 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1x02 h ALA 102 CO 0.39 -0.40 0.34 0.00 0.00 0.00 0.00 179.25 179.58 1x02 h ALA 103 N 1.29 0.72 0.23 0.00 0.00 -1.93 0.33 119.26 119.90 1x02 h ALA 103 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x02 h ALA 103 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1x02 h ALA 103 CO -0.27 0.07 -0.48 0.93 0.00 0.00 0.00 179.25 179.50 1x02 h GLU 104 N 0.68 -0.74 -0.52 0.00 5.08 -1.73 -1.83 114.58 115.52 1x02 h GLU 104 Ca 0.22 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1x02 h GLU 104 Cb 0.01 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1x02 h GLU 104 CO -0.09 -0.49 0.20 1.25 -1.00 0.00 0.00 179.01 178.88 1x02 h LEU 105 N -0.77 0.73 -0.79 1.33 6.46 -1.32 -2.97 115.31 117.99 1x02 h LEU 105 Ca -0.02 -0.18 0.16 0.00 -0.12 0.00 0.00 57.88 57.72 1x02 h LEU 105 Cb 0.73 -0.19 -0.15 0.00 -0.73 0.00 0.00 40.66 40.32 1x02 h LEU 105 CO -0.19 0.71 -0.20 -0.09 -0.62 0.00 0.00 178.44 178.04 1x02 h ARG 106 N 0.71 -0.00 0.37 1.25 2.43 -0.04 0.83 114.38 119.92 1x02 h ARG 106 Ca 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1x02 h ARG 106 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1x02 h ARG 106 CO -0.01 -0.00 -0.18 1.25 -1.51 0.00 0.00 179.97 179.52 1x02 h HIS 107 N -0.00 -0.46 -0.78 2.20 2.76 -1.19 -1.07 115.15 116.62 1x02 h HIS 107 Ca 0.38 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.70 1x02 h HIS 107 Cb 0.58 0.15 -0.10 0.00 1.55 0.00 0.00 27.41 29.59 1x02 h HIS 107 CO -0.63 -0.28 0.28 0.28 -1.30 0.00 0.00 177.93 176.28 1x02 h VAL 108 N -0.50 0.59 -0.07 5.26 2.07 -0.99 -1.26 116.25 121.35 1x02 h VAL 108 Ca -0.05 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1x02 h VAL 108 Cb 0.38 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1x02 h VAL 108 CO 0.08 0.07 0.03 0.24 0.02 0.00 0.00 177.57 178.01 1x02 h MET 109 N 0.39 0.11 -0.54 1.57 2.07 -0.66 -3.11 114.93 114.77 1x02 h MET 109 Ca 0.44 -0.02 0.11 0.00 -2.07 0.00 0.00 59.70 58.16 1x02 h MET 109 Cb 0.72 -0.02 -0.11 0.00 -1.87 0.00 0.00 31.60 30.33 1x02 h MET 109 CO -0.45 0.25 -0.18 1.15 1.07 0.00 0.00 176.91 178.75 1x02 h THR 110 N -0.06 0.38 -0.94 2.22 2.02 -0.05 -0.11 112.91 116.36 1x02 h THR 110 Ca 0.02 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.48 1x02 h THR 110 Cb 0.19 0.38 -0.17 0.00 -1.74 0.00 0.00 68.15 66.81 1x02 h THR 110 CO -0.00 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.86 1x02 h ASN 111 N -0.06 -0.17 -1.00 4.18 2.35 -1.31 0.42 115.58 120.00 1x02 h ASN 111 Ca 0.25 0.24 0.41 0.00 -0.55 0.00 0.00 56.30 56.66 1x02 h ASN 111 Cb 0.45 0.36 -0.18 0.00 0.05 0.00 0.00 38.32 39.00 1x02 h ASN 111 CO -0.58 -0.29 0.53 -0.07 -1.65 0.00 0.00 177.43 175.37 1x02 h LEU 112 N 0.09 0.30 0.00 1.61 3.38 -1.07 -3.44 115.31 116.18 1x02 h LEU 112 Ca 0.62 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.85 1x02 h LEU 112 Cb 1.33 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1x02 h LEU 112 CO -0.79 -0.43 0.00 0.61 0.09 0.00 0.00 178.44 177.92 1x02 n GLY 113 N -1.27 4.17 3.79 0.83 0.00 0.15 -5.13 105.19 107.74 1x02 n GLY 113 Ca 0.37 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 3.56 -0.37 1.61 0.41 -1.24 -5.02 118.70 117.65 1x02 s GLU 114 Ca 0.00 1.37 -0.11 0.00 -0.41 0.00 0.00 54.97 55.82 1x02 s GLU 114 Cb 0.00 -2.06 0.03 0.00 -1.78 0.00 0.00 34.13 30.32 1x02 s GLU 114 CO 0.00 -0.63 0.20 0.15 -0.49 0.00 0.00 175.26 174.49 1x02 s LYS 115 N -3.49 2.81 0.36 1.61 1.02 -1.26 -4.27 119.74 116.52 1x02 s LYS 115 Ca 0.67 -1.09 0.08 0.00 0.02 0.00 0.00 55.97 55.65 1x02 s LYS 115 Cb -0.18 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 1x02 s LYS 115 CO 0.26 -0.70 0.26 -0.51 -0.92 0.00 0.00 175.35 173.75 1x02 s LEU 116 N 1.54 3.44 0.44 3.17 1.43 -1.26 -5.12 118.68 122.32 1x02 s LEU 116 Ca 0.02 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1x02 s LEU 116 Cb -0.19 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1x02 s LEU 116 CO 0.06 -0.41 0.11 0.42 0.23 0.00 0.00 176.35 176.77 1x02 s THR 117 N -2.39 0.63 0.44 5.49 -4.23 -1.26 -5.01 115.64 109.31 1x02 s THR 117 Ca 0.41 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1x02 s THR 117 Cb -0.04 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.89 1x02 s THR 117 CO 0.25 0.00 1.99 -0.78 -0.54 0.00 0.00 174.62 175.55 1x02 h ASP 118 N 1.64 0.34 0.13 3.99 3.58 -2.00 -2.09 116.42 122.02 1x02 h ASP 118 Ca -0.36 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1x02 h ASP 118 Cb 1.29 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1x02 h ASP 118 CO 0.58 0.21 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.76 1x02 h GLU 119 N 0.39 -0.17 0.16 0.28 5.08 -1.99 -1.59 114.58 116.73 1x02 h GLU 119 Ca 0.26 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1x02 h GLU 119 Cb 0.50 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1x02 h GLU 119 CO -0.07 0.20 -0.42 0.93 -1.00 0.00 0.00 179.01 178.65 1x02 h GLU 120 N -0.58 -0.66 -0.77 2.33 4.39 -1.82 -2.10 114.58 115.37 1x02 h GLU 120 Ca -0.02 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1x02 h GLU 120 Cb 0.45 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 1x02 h GLU 120 CO 0.03 -0.44 0.42 0.28 -1.16 0.00 0.00 179.01 178.14 1x02 h VAL 121 N -0.68 0.89 -0.61 3.13 2.07 -1.48 -1.98 116.25 117.59 1x02 h VAL 121 Ca 0.01 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.42 1x02 h VAL 121 Cb 0.69 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1x02 h VAL 121 CO -0.22 0.13 0.02 0.44 0.02 0.00 0.00 177.57 177.95 1x02 h ASP 122 N 0.71 -0.24 -0.05 0.57 5.19 -0.64 0.41 116.42 122.37 1x02 h ASP 122 Ca 0.37 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.94 1x02 h ASP 122 Cb 0.35 0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1x02 h ASP 122 CO -0.25 -0.10 0.04 -0.33 -3.12 0.00 0.00 179.24 175.48 1x02 h GLU 123 N 0.13 0.00 0.01 3.56 5.08 -0.82 -2.05 114.58 120.49 1x02 h GLU 123 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1x02 h GLU 123 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1x02 h GLU 123 CO -0.51 0.00 -0.00 1.98 -1.00 0.00 0.00 179.01 179.47 1x02 h MET 124 N 0.00 -0.01 -0.81 2.33 4.05 -0.19 -3.30 114.93 117.01 1x02 h MET 124 Ca 0.02 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.63 1x02 h MET 124 Cb 0.10 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 1x02 h MET 124 CO -0.00 0.83 0.55 0.82 0.23 0.00 0.00 176.91 179.33 1x02 h ILE 125 N -0.92 0.70 0.00 1.77 1.08 -0.48 0.66 117.51 120.32 1x02 h ILE 125 Ca -0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1x02 h ILE 125 Cb 0.84 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1x02 h ILE 125 CO 0.00 0.05 0.00 -2.11 -0.69 0.00 0.00 178.15 175.41 1x02 n ARG 126 N -4.45 0.87 -0.06 2.37 1.85 -0.80 -0.16 116.66 116.29 1x02 n ARG 126 Ca 0.16 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.94 1x02 n ARG 126 Cb 0.67 -1.02 -0.06 0.00 -1.05 0.00 0.00 32.46 31.01 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 -0.52 0.77 -0.09 2.89 2.13 0.23 -4.78 120.64 121.27 1x02 n GLU 127 Ca 0.01 0.05 -0.11 0.00 0.66 0.00 0.00 57.16 57.77 1x02 n GLU 127 Cb 0.00 -1.23 -0.11 0.00 0.27 0.00 0.00 31.44 30.37 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 -2.73 1.58 -1.54 4.31 0.00 -1.14 -4.91 120.51 116.08 1x02 n ALA 128 Ca -0.19 -0.95 -0.40 0.00 0.00 0.00 0.00 53.44 51.89 1x02 n ALA 128 Cb 0.74 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.87 2.17 -0.03 0.00 2.03 0.78 -4.72 116.55 113.90 1x02 n ASP 129 Ca -0.32 -0.18 -0.01 0.00 0.52 0.00 0.00 54.79 54.81 1x02 n ASP 129 Cb 0.95 -1.45 -0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 7.57 0.00 -0.99 5.18 1.08 -1.86 -3.37 117.51 125.13 1x02 h ILE 130 Ca -0.25 -0.60 0.31 0.00 -0.39 0.00 0.00 64.86 63.94 1x02 h ILE 130 Cb 1.28 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.88 1x02 h ILE 130 CO 1.14 0.00 0.55 -2.24 -0.69 0.00 0.00 178.15 176.90 1x02 h ASP 131 N -0.60 0.49 -0.56 1.72 3.04 -1.92 -3.45 116.42 115.14 1x02 h ASP 131 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1x02 h ASP 131 Cb 0.12 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1x02 h ASP 131 CO 0.00 -0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 1x02 n GLY 132 N -1.30 0.82 0.16 7.15 0.00 -1.26 -5.01 105.19 105.75 1x02 n GLY 132 Ca 0.31 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 0.31 2.14 -1.61 1.61 5.68 -1.26 -4.96 116.55 118.45 1x02 n ASP 133 Ca 0.00 -3.09 -0.15 0.00 -0.50 0.00 0.00 54.79 51.05 1x02 n ASP 133 Cb 0.22 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 39.75 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 -1.31 0.15 3.36 6.12 0.00 -1.26 -5.00 105.19 107.25 1x02 n GLY 134 Ca 0.15 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.43 1.37 -0.48 1.61 -0.21 -1.26 -3.63 119.66 112.63 1x02 s GLN 135 Ca 0.00 -1.58 0.05 0.00 0.02 0.00 0.00 55.36 53.85 1x02 s GLN 135 Cb 0.00 -1.26 0.19 0.00 1.00 0.00 0.00 33.01 32.94 1x02 s GLN 135 CO 0.00 0.22 0.43 0.28 -2.12 0.00 0.00 175.29 174.11 1x02 n VAL 136 N -0.29 -0.35 -1.53 1.09 0.31 -0.97 -4.26 118.33 112.33 1x02 n VAL 136 Ca -0.08 -3.93 -0.31 0.00 -0.01 0.00 0.00 64.34 60.00 1x02 n VAL 136 Cb 0.60 -1.84 0.06 0.00 -0.91 0.00 0.00 33.84 31.74 1x02 n VAL 136 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x02 s ASN 137 N -0.66 5.07 0.25 4.52 2.20 -1.26 -3.43 114.94 121.64 1x02 s ASN 137 Ca 0.32 1.76 -0.01 0.00 -0.94 0.00 0.00 52.86 53.99 1x02 s ASN 137 Cb 0.06 -2.52 0.55 0.00 -2.00 0.00 0.00 41.25 37.35 1x02 s ASN 137 CO -0.16 -1.65 1.31 0.00 -2.94 0.00 0.00 177.10 173.66 1x02 n TYR 138 N -3.07 0.45 -0.11 1.54 9.36 -1.25 0.14 117.16 124.22 1x02 n TYR 138 Ca 0.09 1.02 -0.05 0.00 3.32 0.00 0.00 57.90 62.27 1x02 n TYR 138 Cb 0.53 -1.08 0.02 0.00 -0.63 0.00 0.00 39.34 38.18 1x02 n TYR 138 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1x02 h GLU 139 N 0.00 0.17 0.00 2.98 4.81 -1.91 0.62 114.58 121.25 1x02 h GLU 139 Ca 0.47 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1x02 h GLU 139 Cb 0.89 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1x02 h GLU 139 CO -0.82 0.11 -0.61 0.93 -0.73 0.00 0.00 179.01 177.90 1x02 h GLU 140 N 0.17 0.00 -0.06 1.92 5.08 0.87 -2.97 114.58 119.59 1x02 h GLU 140 Ca 0.18 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 1x02 h GLU 140 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1x02 h GLU 140 CO -0.25 0.61 -0.78 0.35 -1.00 0.00 0.00 179.01 177.94 1x02 h PHE 141 N 0.00 0.56 0.20 4.33 3.57 0.98 -3.20 116.94 123.38 1x02 h PHE 141 Ca -0.01 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1x02 h PHE 141 Cb 1.09 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1x02 h PHE 141 CO 0.00 1.03 -0.10 0.28 -2.23 0.00 0.00 178.31 177.30 1x02 h VAL 142 N 0.27 0.88 -0.77 1.41 2.07 0.29 -2.98 116.25 117.42 1x02 h VAL 142 Ca -0.04 -0.45 0.17 0.00 0.82 0.00 0.00 66.70 67.20 1x02 h VAL 142 Cb 1.37 1.15 -0.11 0.00 -1.52 0.00 0.00 31.29 32.17 1x02 h VAL 142 CO 0.13 0.10 0.20 1.56 0.02 0.00 0.00 177.57 179.59 1x02 h GLN 143 N -0.50 0.27 -0.37 1.57 1.08 -1.60 -0.14 115.11 115.42 1x02 h GLN 143 Ca -0.03 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1x02 h GLN 143 Cb 0.38 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 1x02 h GLN 143 CO 0.05 0.18 0.01 1.98 -0.95 0.00 0.00 178.83 180.10 1x02 h MET 144 N 0.28 0.11 -0.85 1.46 4.05 -1.52 -0.73 114.93 117.73 1x02 h MET 144 Ca 0.44 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.89 1x02 h MET 144 Cb 0.77 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.49 1x02 h MET 144 CO -0.52 0.07 0.54 0.52 0.23 0.00 0.00 176.91 177.75 1x02 h MET 145 N 0.11 1.02 -1.09 0.39 2.86 -0.91 -1.91 114.93 115.40 1x02 h MET 145 Ca 0.18 -0.06 -0.53 0.00 -2.06 0.00 0.00 59.70 57.23 1x02 h MET 145 Cb 0.25 -0.23 -0.26 0.00 0.06 0.00 0.00 31.60 31.42 1x02 h MET 145 CO -0.29 0.67 0.68 0.25 1.06 0.00 0.00 176.91 179.29 1x02 n THR 146 N -4.56 3.22 -4.10 2.22 -2.24 -0.65 -4.91 114.28 103.25 1x02 n THR 146 Ca 0.11 -2.23 -0.14 0.00 -2.27 0.00 0.00 64.05 59.51 1x02 n THR 146 Cb 0.10 -0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 67.25 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 -3.12 0.69 -2.91 6.98 0.00 -0.37 -4.95 121.76 118.08 1x02 s ALA 147 Ca 0.53 -0.78 0.25 0.00 0.00 0.00 0.00 51.96 51.96 1x02 s ALA 147 Cb 0.43 0.00 0.35 0.00 0.00 0.00 0.00 23.12 23.90 1x02 s ALA 147 CO 0.03 0.03 1.35 1.63 0.00 0.00 0.00 175.76 178.80