#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 -4.67 0.00 0.00 9.92 -1.26 -4.82 116.55 115.72 1x02 n ASP 2 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 1x02 n ASP 2 Cb 0.00 -3.65 0.00 0.00 -0.64 0.00 0.00 41.12 36.83 1x02 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x02 n GLN 3 N -2.50 0.34 -2.93 -1.24 6.02 -1.26 -4.87 117.38 110.95 1x02 n GLN 3 Ca -0.16 -0.50 -0.25 0.00 -0.01 0.00 0.00 57.00 56.08 1x02 n GLN 3 Cb 0.56 -0.63 -0.03 0.00 1.02 0.00 0.00 30.24 31.16 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x02 n LEU 4 N -0.08 3.96 0.00 1.08 4.77 -1.26 -4.80 117.00 120.67 1x02 n LEU 4 Ca 0.00 -5.52 -0.05 0.00 -0.03 0.00 0.00 56.01 50.41 1x02 n LEU 4 Cb 0.32 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1x02 n LEU 4 CO 0.00 2.33 0.13 0.35 -1.33 0.00 0.00 177.39 178.87 1x02 n THR 5 N -0.19 0.00 -0.25 -5.08 -2.24 -1.26 -4.57 114.28 100.69 1x02 n THR 5 Ca 0.31 -0.28 0.21 0.00 -2.27 0.00 0.00 64.05 62.01 1x02 n THR 5 Cb 0.46 -1.47 0.35 0.00 -2.10 0.00 0.00 70.33 67.57 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 -1.44 -0.02 0.23 -0.78 -0.58 -1.26 0.11 120.64 116.90 1x02 n GLU 6 Ca 0.03 0.64 -0.17 0.00 -0.42 0.00 0.00 57.16 57.24 1x02 n GLU 6 Cb 0.12 -1.27 -0.10 0.00 -0.57 0.00 0.00 31.44 29.62 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 -0.87 0.55 3.49 9.09 -1.96 0.10 114.58 124.98 1x02 h GLU 7 Ca 0.45 0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.90 1x02 h GLU 7 Cb 1.47 0.20 0.01 0.00 -1.65 0.00 0.00 28.75 28.78 1x02 h GLU 7 CO -0.24 -0.58 -0.27 1.96 0.05 0.00 0.00 179.01 179.94 1x02 h GLN 8 N -0.91 -0.72 -0.95 1.06 1.08 0.52 -2.82 115.11 112.38 1x02 h GLN 8 Ca -0.04 0.05 0.27 0.00 -1.45 0.00 0.00 58.65 57.48 1x02 h GLN 8 Cb 0.83 0.16 -0.14 0.00 -0.05 0.00 0.00 27.48 28.28 1x02 h GLN 8 CO -0.15 -0.45 0.43 0.82 -0.95 0.00 0.00 178.83 178.54 1x02 h ILE 9 N -0.81 0.34 -0.89 2.54 5.03 -1.43 0.56 117.51 122.85 1x02 h ILE 9 Ca -0.08 -0.11 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1x02 h ILE 9 Cb 0.60 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.35 1x02 h ILE 9 CO 0.12 0.06 0.55 0.00 -0.68 0.00 0.00 178.15 178.20 1x02 h ALA 10 N 1.80 1.29 0.26 1.87 0.00 -0.55 0.62 119.26 124.54 1x02 h ALA 10 Ca 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1x02 h ALA 10 Cb 1.36 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x02 h ALA 10 CO -0.60 0.62 -0.12 0.93 0.00 0.00 0.00 179.25 180.07 1x02 h GLU 11 N 1.22 -0.33 -0.04 0.00 4.39 0.32 -2.85 114.58 117.30 1x02 h GLU 11 Ca 0.32 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 1x02 h GLU 11 Cb -0.07 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1x02 h GLU 11 CO -0.06 -0.02 -0.03 0.74 -1.16 0.00 0.00 179.01 178.48 1x02 h PHE 12 N -0.67 0.05 0.98 4.33 0.04 -1.17 -2.98 116.94 117.52 1x02 h PHE 12 Ca -0.04 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1x02 h PHE 12 Cb 0.47 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.61 1x02 h PHE 12 CO 0.02 0.08 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.12 1x02 h LYS 13 N 0.05 -1.27 -0.84 1.51 3.64 -0.75 -1.83 116.57 117.08 1x02 h LYS 13 Ca 0.01 0.09 0.15 0.00 -1.27 0.00 0.00 60.65 59.63 1x02 h LYS 13 Cb 0.09 0.29 -0.15 0.00 -0.41 0.00 0.00 32.23 32.05 1x02 h LYS 13 CO 0.00 -0.85 -0.30 0.93 -2.27 0.00 0.00 179.45 176.97 1x02 h GLU 14 N -1.32 -0.04 -0.70 1.90 5.08 -1.34 0.94 114.58 119.09 1x02 h GLU 14 Ca -0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1x02 h GLU 14 Cb 1.02 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1x02 h GLU 14 CO 0.21 -0.03 0.46 0.00 -1.00 0.00 0.00 179.01 178.66 1x02 h ALA 15 N 1.51 1.65 -0.00 3.43 0.00 -1.53 0.63 119.26 124.95 1x02 h ALA 15 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x02 h ALA 15 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x02 h ALA 15 CO -0.87 0.26 -0.18 0.34 0.00 0.00 0.00 179.25 178.80 1x02 n PHE 16 N -4.47 0.00 0.05 0.00 7.35 0.26 -3.50 117.46 117.15 1x02 n PHE 16 Ca 0.09 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.59 1x02 n PHE 16 Cb 0.17 -0.37 -0.14 0.00 0.35 0.00 0.00 39.48 39.49 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 0.07 0.46 -0.37 -2.13 0.02 0.26 -3.14 113.55 108.73 1x02 h SER 17 Ca 0.00 -0.73 -0.12 0.00 -0.84 0.00 0.00 61.79 60.10 1x02 h SER 17 Cb 0.48 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1x02 h SER 17 CO 0.00 1.62 -0.25 0.17 -1.14 0.00 0.00 176.83 177.23 1x02 h LEU 18 N 0.08 0.85 -0.54 5.07 8.10 -1.43 -3.16 115.31 124.28 1x02 h LEU 18 Ca -0.31 -0.43 -0.05 0.00 0.11 0.00 0.00 57.88 57.19 1x02 h LEU 18 Cb 2.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 42.01 1x02 h LEU 18 CO 0.15 1.10 0.12 -0.26 -4.11 0.00 0.00 178.44 175.45 1x02 h PHE 19 N 0.61 0.92 -2.09 0.17 0.04 -1.71 -3.39 116.94 111.49 1x02 h PHE 19 Ca 0.07 -0.11 -0.52 0.00 2.80 0.00 0.00 57.97 60.21 1x02 h PHE 19 Cb 0.81 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 1x02 h PHE 19 CO 0.06 0.80 1.18 0.34 -0.60 0.00 0.00 178.31 180.09 1x02 s ASP 20 N -6.22 5.81 -0.10 2.17 2.15 -1.19 -4.58 116.67 114.71 1x02 s ASP 20 Ca -0.13 -0.23 -0.14 0.00 0.43 0.00 0.00 52.55 52.49 1x02 s ASP 20 Cb 0.12 -2.55 -0.27 0.00 -0.30 0.00 0.00 42.92 39.92 1x02 s ASP 20 CO 0.81 -2.05 0.52 0.11 -0.17 0.00 0.00 175.17 174.38 1x02 h LYS 21 N 11.87 0.25 -0.43 4.34 1.79 -1.81 -3.37 116.57 129.22 1x02 h LYS 21 Ca -0.23 -0.43 0.05 0.00 -2.18 0.00 0.00 60.65 57.85 1x02 h LYS 21 Cb 1.09 0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 31.85 1x02 h LYS 21 CO 1.26 1.21 0.17 -0.44 -1.08 0.00 0.00 179.45 180.57 1x02 h ASP 22 N -0.22 0.20 -0.05 0.86 3.32 -1.93 -3.47 116.42 115.12 1x02 h ASP 22 Ca -0.33 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1x02 h ASP 22 Cb 1.83 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1x02 h ASP 22 CO 0.06 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 1x02 n GLY 23 N -1.24 1.05 0.47 2.75 0.00 -1.26 -5.04 105.19 101.93 1x02 n GLY 23 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.08 1.38 0.00 1.61 5.68 -1.26 -5.05 116.55 118.99 1x02 n ASP 24 Ca 0.00 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1x02 n ASP 24 Cb 0.03 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 25 N 2.30 0.99 2.98 6.12 0.00 -1.26 -5.14 105.19 111.17 1x02 n GLY 25 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.99 0.04 -0.36 2.61 -4.23 -1.26 -3.95 115.64 107.50 1x02 s THR 26 Ca 0.00 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1x02 s THR 26 Cb 0.00 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 73.70 1x02 s THR 26 CO 0.00 -0.18 0.13 -0.63 -0.54 0.00 0.00 174.62 173.40 1x02 s ILE 27 N -0.56 3.64 0.37 2.99 1.01 -0.41 -4.74 121.20 123.51 1x02 s ILE 27 Ca -0.06 -1.39 0.08 0.00 0.00 0.00 0.00 60.65 59.28 1x02 s ILE 27 Cb -0.04 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1x02 s ILE 27 CO 0.00 -0.32 0.32 0.28 0.00 0.00 0.00 174.94 175.22 1x02 s THR 28 N 1.34 3.08 0.33 2.92 -1.32 -1.26 -2.30 115.64 118.43 1x02 s THR 28 Ca 0.00 -1.38 0.12 0.00 -1.21 0.00 0.00 61.69 59.22 1x02 s THR 28 Cb -0.21 -3.08 0.33 0.00 -1.51 0.00 0.00 72.50 68.03 1x02 s THR 28 CO 0.01 -0.09 1.65 0.71 -2.21 0.00 0.00 174.62 174.68 1x02 h THR 29 N 1.17 0.27 -0.74 5.08 1.35 -1.92 0.71 112.91 118.82 1x02 h THR 29 Ca -0.43 -0.09 0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1x02 h THR 29 Cb 1.26 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.61 1x02 h THR 29 CO 0.58 0.05 0.45 0.50 -0.25 0.00 0.00 175.52 176.86 1x02 h LYS 30 N 0.26 0.84 0.00 4.72 1.63 -1.96 0.46 116.57 122.52 1x02 h LYS 30 Ca 0.71 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 1x02 h LYS 30 Cb 1.61 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 1x02 h LYS 30 CO -0.64 0.55 -0.13 0.93 -3.45 0.00 0.00 179.45 176.71 1x02 h GLU 31 N 0.86 0.00 -0.99 1.90 5.08 -0.20 -3.02 114.58 118.21 1x02 h GLU 31 Ca 0.31 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.87 1x02 h GLU 31 Cb 0.09 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.23 1x02 h GLU 31 CO -0.14 0.00 0.59 1.25 -1.00 0.00 0.00 179.01 179.71 1x02 h LEU 32 N -0.99 0.74 -1.03 1.33 5.85 -0.01 0.42 115.31 121.63 1x02 h LEU 32 Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1x02 h LEU 32 Cb 0.13 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1x02 h LEU 32 CO 0.00 0.24 -0.12 1.23 -0.34 0.00 0.00 178.44 179.45 1x02 h GLY 33 N 0.72 0.00 2.00 3.75 0.00 -0.23 -0.24 103.07 109.07 1x02 h GLY 33 Ca 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.80 1x02 h GLY 33 CO -0.40 0.00 -0.52 0.00 0.00 0.00 0.00 176.54 175.61 1x02 h THR 34 N 0.00 1.02 0.00 4.70 1.03 -0.05 -3.02 112.91 116.59 1x02 h THR 34 Ca -0.00 -2.09 -0.31 0.00 -0.01 0.00 0.00 66.41 63.99 1x02 h THR 34 Cb 0.73 2.27 -0.06 0.00 -1.07 0.00 0.00 68.15 70.02 1x02 h THR 34 CO 0.02 0.51 -2.21 0.52 -0.01 0.00 0.00 175.52 174.35 1x02 n VAL 35 N -3.39 1.26 -0.21 0.00 0.31 -0.91 -3.99 118.33 111.40 1x02 n VAL 35 Ca 0.01 -0.81 -0.09 0.00 -0.01 0.00 0.00 64.34 63.45 1x02 n VAL 35 Cb 0.66 -0.50 0.03 0.00 -0.91 0.00 0.00 33.84 33.12 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N 0.00 1.01 0.00 5.55 2.86 -1.10 -2.48 114.93 120.77 1x02 h MET 36 Ca -0.44 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 56.91 1x02 h MET 36 Cb 2.05 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 1x02 h MET 36 CO 0.03 0.96 -0.08 0.07 1.06 0.00 0.00 176.91 178.95 1x02 h ARG 37 N 0.91 0.00 0.00 1.72 -0.00 -1.72 -2.48 114.38 112.81 1x02 h ARG 37 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 60.10 1x02 h ARG 37 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 1x02 h ARG 37 CO 0.01 0.08 -0.28 0.77 -0.00 0.00 0.00 179.97 180.55 1x02 h SER 38 N 0.00 0.00 0.17 0.08 0.02 -1.57 -3.05 113.55 109.20 1x02 h SER 38 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1x02 h SER 38 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1x02 h SER 38 CO 0.01 0.28 -1.84 -0.07 -1.14 0.00 0.00 176.83 174.07 1x02 h LEU 39 N 0.00 0.55 0.00 5.07 3.38 -1.51 -3.48 115.31 119.31 1x02 h LEU 39 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1x02 h LEU 39 Cb 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1x02 h LEU 39 CO 0.04 1.82 0.00 0.61 0.09 0.00 0.00 178.44 181.00 1x02 n GLY 40 N 1.91 0.23 0.34 0.83 0.00 -1.13 -5.09 105.19 102.29 1x02 n GLY 40 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.41 -3.77 1.61 1.13 -0.95 -5.01 117.38 110.80 1x02 n GLN 41 Ca 0.00 0.17 -0.26 0.00 -1.94 0.00 0.00 57.00 54.97 1x02 n GLN 41 Cb 0.00 -1.21 0.02 0.00 0.11 0.00 0.00 30.24 29.16 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 -2.53 -4.68 1.08 3.02 -1.26 -4.95 115.26 101.83 1x02 n ASN 42 Ca -0.22 -0.96 -0.29 0.00 -0.03 0.00 0.00 54.58 53.09 1x02 n ASN 42 Cb 0.54 -3.48 0.18 0.00 -0.61 0.00 0.00 39.78 36.40 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x02 s PRO 43 N -6.14 0.44 0.16 3.52 0.04 -1.26 -5.05 135.00 126.70 1x02 s PRO 43 Ca 0.19 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1x02 s PRO 43 Cb -0.06 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1x02 s PRO 43 CO 0.86 -2.73 0.17 0.95 0.04 0.00 0.00 177.00 176.29 1x02 s THR 44 N -2.97 4.71 0.22 1.26 -4.23 -1.26 -4.87 115.64 108.51 1x02 s THR 44 Ca 0.65 -0.96 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 1x02 s THR 44 Cb -0.19 -3.40 0.31 0.00 1.34 0.00 0.00 72.50 70.56 1x02 s THR 44 CO 0.58 -0.09 1.31 -0.62 -0.54 0.00 0.00 174.62 175.25 1x02 n GLU 45 N -0.36 -0.13 -0.35 3.99 1.02 -1.26 0.21 120.64 123.76 1x02 n GLU 45 Ca -0.08 1.31 0.07 0.00 -0.02 0.00 0.00 57.16 58.44 1x02 n GLU 45 Cb 0.54 -1.94 0.24 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.46 1.49 -0.03 0.62 0.00 -1.99 0.11 119.26 120.92 1x02 h ALA 46 Ca 0.36 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1x02 h ALA 46 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x02 h ALA 46 CO -0.85 0.17 -0.11 0.93 0.00 0.00 0.00 179.25 179.39 1x02 h GLU 47 N 0.93 0.12 -0.42 0.00 4.39 0.21 -1.90 114.58 117.91 1x02 h GLU 47 Ca 0.49 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 60.16 1x02 h GLU 47 Cb 0.53 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 1x02 h GLU 47 CO -0.28 0.74 0.11 -0.07 -1.16 0.00 0.00 179.01 178.35 1x02 h LEU 48 N -0.46 0.07 -0.52 1.33 3.38 -0.07 0.20 115.31 119.24 1x02 h LEU 48 Ca -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1x02 h LEU 48 Cb 0.75 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1x02 h LEU 48 CO 0.02 0.08 0.10 1.56 0.09 0.00 0.00 178.44 180.29 1x02 h GLN 49 N 0.26 0.85 -0.53 1.13 1.08 -0.87 -1.40 115.11 115.63 1x02 h GLN 49 Ca 0.20 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1x02 h GLN 49 Cb 0.22 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1x02 h GLN 49 CO -0.24 0.83 0.26 -0.44 -0.95 0.00 0.00 178.83 178.30 1x02 h ASP 50 N 0.74 0.69 -0.34 1.46 3.32 -0.71 0.33 116.42 121.91 1x02 h ASP 50 Ca 0.16 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1x02 h ASP 50 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1x02 h ASP 50 CO 0.01 0.62 0.11 0.24 -1.72 0.00 0.00 179.24 178.49 1x02 h MET 51 N 0.71 0.53 0.54 3.56 2.86 -0.49 -2.21 114.93 120.44 1x02 h MET 51 Ca 0.18 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1x02 h MET 51 Cb 0.10 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.69 1x02 h MET 51 CO -0.02 0.55 -0.26 0.82 1.06 0.00 0.00 176.91 179.06 1x02 h ILE 52 N 0.40 0.00 -0.95 -1.22 2.04 -1.07 -3.23 117.51 113.48 1x02 h ILE 52 Ca 0.11 -0.38 0.29 0.00 1.00 0.00 0.00 64.86 65.88 1x02 h ILE 52 Cb 0.24 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.16 1x02 h ILE 52 CO -0.00 0.00 0.23 0.78 0.00 0.00 0.00 178.15 179.15 1x02 h ASN 53 N -1.11 -0.10 -0.77 1.72 2.35 -0.42 0.52 115.58 117.77 1x02 h ASN 53 Ca -0.07 0.24 0.18 0.00 -0.55 0.00 0.00 56.30 56.10 1x02 h ASN 53 Cb 0.56 0.35 -0.13 0.00 0.05 0.00 0.00 38.32 39.15 1x02 h ASN 53 CO 0.12 -0.28 0.12 -0.33 -1.65 0.00 0.00 177.43 175.41 1x02 h GLU 54 N 0.10 0.18 0.21 0.81 4.39 -1.41 -1.77 114.58 117.09 1x02 h GLU 54 Ca 0.63 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.99 1x02 h GLU 54 Cb 1.39 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1x02 h GLU 54 CO -0.77 0.12 -1.56 0.28 -1.16 0.00 0.00 179.01 175.91 1x02 h VAL 55 N 0.19 1.11 0.00 3.13 2.07 -0.19 -3.45 116.25 119.10 1x02 h VAL 55 Ca 0.44 -2.58 -0.47 0.00 0.82 0.00 0.00 66.70 64.92 1x02 h VAL 55 Cb 0.81 2.90 -0.08 0.00 -1.52 0.00 0.00 31.29 33.40 1x02 h VAL 55 CO -0.60 0.82 1.58 -0.67 0.02 0.00 0.00 177.57 178.72 1x02 n ASP 56 N -3.71 0.29 -0.01 0.57 2.03 0.68 -4.79 116.55 111.61 1x02 n ASP 56 Ca -0.21 0.19 -0.00 0.00 0.52 0.00 0.00 54.79 55.28 1x02 n ASP 56 Cb 1.06 -0.84 -0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 10.79 0.00 -0.77 -1.67 0.00 -1.88 -3.38 119.26 122.35 1x02 h ALA 57 Ca -0.05 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 54.96 1x02 h ALA 57 Cb 1.20 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1x02 h ALA 57 CO 1.25 0.05 0.22 -0.40 0.00 0.00 0.00 179.25 180.38 1x02 n ASP 58 N -2.58 0.10 -0.00 0.00 5.68 -1.26 -4.76 116.55 113.72 1x02 n ASP 58 Ca -0.01 1.29 0.00 0.00 -0.50 0.00 0.00 54.79 55.57 1x02 n ASP 58 Cb 0.03 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 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 -1.29 1.32 0.16 6.12 0.00 -1.26 -5.04 105.19 105.21 1x02 n GLY 59 Ca 0.24 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 0.02 1.95 0.00 1.61 6.94 -1.26 -5.05 115.26 119.48 1x02 n ASN 60 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 1x02 n ASN 60 Cb 0.01 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 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 1.79 2.35 3.73 4.83 0.00 -1.26 -5.12 105.19 111.51 1x02 n GLY 61 Ca -0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.10 4.56 0.61 2.61 -4.23 -1.26 -4.63 115.64 113.20 1x02 s THR 62 Ca 0.00 -0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1x02 s THR 62 Cb 0.00 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1x02 s THR 62 CO 0.00 0.57 1.12 -0.63 -0.54 0.00 0.00 174.62 175.13 1x02 s ILE 63 N -0.96 3.23 0.34 2.99 1.01 -0.97 -4.82 121.20 122.02 1x02 s ILE 63 Ca 0.15 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1x02 s ILE 63 Cb -0.12 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1x02 s ILE 63 CO 0.04 -0.28 0.02 0.47 0.00 0.00 0.00 174.94 175.19 1x02 n ASP 64 N -1.92 2.68 0.02 3.58 8.00 -1.26 -1.29 116.55 126.36 1x02 n ASP 64 Ca 0.11 -2.53 -0.11 0.00 0.71 0.00 0.00 54.79 52.96 1x02 n ASP 64 Cb 0.52 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.23 0.06 0.07 1.24 3.04 -1.98 0.18 116.94 120.77 1x02 h PHE 65 Ca -0.28 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.67 1x02 h PHE 65 Cb 0.87 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1x02 h PHE 65 CO 0.00 0.04 -0.03 -1.00 -2.02 0.00 0.00 178.31 175.30 1x02 h PRO 66 N 0.06 -0.08 -0.33 6.41 0.13 -1.97 -3.20 132.00 133.02 1x02 h PRO 66 Ca 0.02 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1x02 h PRO 66 Cb -0.01 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 1x02 h PRO 66 CO -0.01 0.37 0.16 0.93 -0.23 0.00 0.00 178.00 179.22 1x02 h GLU 67 N -0.57 0.33 -0.86 0.86 5.08 -1.92 -2.45 114.58 115.04 1x02 h GLU 67 Ca -0.01 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.56 1x02 h GLU 67 Cb 0.49 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.53 1x02 h GLU 67 CO 0.01 0.22 0.24 0.35 -1.00 0.00 0.00 179.01 178.83 1x02 h PHE 68 N 0.34 0.37 -1.03 4.33 3.57 -0.71 0.58 116.94 124.39 1x02 h PHE 68 Ca 0.14 0.05 0.28 0.00 3.53 0.00 0.00 57.97 61.96 1x02 h PHE 68 Cb 0.05 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1x02 h PHE 68 CO -0.10 -0.18 0.70 -0.07 -2.23 0.00 0.00 178.31 176.43 1x02 h LEU 69 N 0.23 0.24 -0.02 0.59 3.38 -1.43 0.12 115.31 118.42 1x02 h LEU 69 Ca 0.54 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.55 1x02 h LEU 69 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1x02 h LEU 69 CO -0.63 0.06 0.01 0.74 0.09 0.00 0.00 178.44 178.71 1x02 h THR 70 N 0.22 1.12 -0.25 0.22 2.02 0.10 -2.77 112.91 113.56 1x02 h THR 70 Ca 0.54 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1x02 h THR 70 Cb 1.70 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 1x02 h THR 70 CO -0.15 0.10 0.04 -0.03 0.37 0.00 0.00 175.52 175.85 1x02 h MET 71 N -0.12 0.13 -0.94 6.66 1.85 -1.00 -1.88 114.93 119.63 1x02 h MET 71 Ca 0.01 -0.01 0.20 0.00 -0.61 0.00 0.00 59.70 59.29 1x02 h MET 71 Cb 0.15 -0.03 -0.11 0.00 0.43 0.00 0.00 31.60 32.04 1x02 h MET 71 CO -0.00 0.09 0.52 0.52 -0.40 0.00 0.00 176.91 177.63 1x02 h MET 72 N 0.14 0.60 -0.00 0.39 2.07 -1.37 0.47 114.93 117.22 1x02 h MET 72 Ca 0.12 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1x02 h MET 72 Cb 0.12 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1x02 h MET 72 CO -0.16 0.39 0.00 0.00 1.07 0.00 0.00 176.91 178.21 1x02 h ALA 73 N 1.66 0.00 -0.18 6.32 0.00 -1.08 0.49 119.26 126.47 1x02 h ALA 73 Ca 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1x02 h ALA 73 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x02 h ALA 73 CO -0.43 -0.36 0.00 2.89 0.00 0.00 0.00 179.25 181.35 1x02 n ARG 74 N -4.95 2.02 0.00 0.00 1.85 -0.50 -3.64 116.66 111.43 1x02 n ARG 74 Ca -0.08 -0.91 0.00 0.00 -1.00 0.00 0.00 57.85 55.86 1x02 n ARG 74 Cb 0.16 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1x02 n LYS 75 N 0.18 1.80 -0.33 2.89 3.00 0.15 -4.76 118.16 121.10 1x02 n LYS 75 Ca 0.08 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.60 1x02 n LYS 75 Cb 0.45 -0.82 0.48 0.00 0.00 0.00 0.00 35.03 35.14 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 0.43 -0.80 1.64 2.86 -0.08 0.36 114.93 119.34 1x02 h MET 76 Ca 0.00 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1x02 h MET 76 Cb 0.65 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1x02 h MET 76 CO 0.00 0.29 0.52 1.57 1.06 0.00 0.00 176.91 180.35 1x02 h LYS 77 N 0.45 0.87 -0.22 1.72 5.09 -1.83 0.33 116.57 122.98 1x02 h LYS 77 Ca 0.60 -0.05 -0.00 0.00 0.09 0.00 0.00 60.65 61.29 1x02 h LYS 77 Cb 1.42 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 1x02 h LYS 77 CO -0.33 0.58 0.13 -0.44 -2.09 0.00 0.00 179.45 177.29 1x02 h ASP 78 N 0.90 0.26 0.32 7.07 3.32 -0.60 -2.67 116.42 125.01 1x02 h ASP 78 Ca 0.34 -0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.05 1x02 h ASP 78 Cb 0.18 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1x02 h ASP 78 CO -0.11 0.20 -1.85 0.35 -1.72 0.00 0.00 179.24 176.10 1x02 n THR 79 N -4.49 1.68 -0.25 0.35 -2.24 -0.31 -4.21 114.28 104.79 1x02 n THR 79 Ca 0.00 -0.74 0.21 0.00 -2.27 0.00 0.00 64.05 61.26 1x02 n THR 79 Cb 0.08 -1.32 0.40 0.00 -2.10 0.00 0.00 70.33 67.40 1x02 n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x02 n ASP 80 N -3.22 0.18 -0.26 3.42 -0.08 0.10 0.17 116.55 116.86 1x02 n ASP 80 Ca -0.24 1.30 0.11 0.00 -1.51 0.00 0.00 54.79 54.45 1x02 n ASP 80 Cb 1.05 -0.59 0.22 0.00 2.34 0.00 0.00 41.12 44.15 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 -4.84 -0.08 -0.27 1.67 7.64 -1.24 -0.48 113.62 116.02 1x02 n SER 81 Ca 0.27 1.28 -0.07 0.00 1.01 0.00 0.00 58.87 61.35 1x02 n SER 81 Cb 0.90 -0.47 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 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 -5.04 -0.28 0.05 1.43 2.13 0.13 0.02 120.64 119.08 1x02 n GLU 82 Ca 0.18 1.05 -0.12 0.00 0.66 0.00 0.00 57.16 58.93 1x02 n GLU 82 Cb 0.58 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 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 -0.46 -1.75 5.31 5.08 -1.00 -0.48 114.58 121.27 1x02 h GLU 83 Ca 0.10 0.03 0.53 0.00 -1.00 0.00 0.00 59.36 59.02 1x02 h GLU 83 Cb 0.26 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 1x02 h GLU 83 CO -0.60 -0.31 1.24 0.39 -1.00 0.00 0.00 179.01 178.73 1x02 n GLU 84 N -5.42 -0.01 0.08 2.33 -0.58 0.10 0.24 120.64 117.39 1x02 n GLU 84 Ca -0.05 1.08 -0.22 0.00 -0.42 0.00 0.00 57.16 57.56 1x02 n GLU 84 Cb 0.33 -2.39 -0.12 0.00 -0.57 0.00 0.00 31.44 28.69 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 1.29 -0.42 -3.67 1.08 -0.54 -3.35 117.51 111.90 1x02 h ILE 85 Ca 0.89 -2.43 0.05 0.00 -0.39 0.00 0.00 64.86 62.98 1x02 h ILE 85 Cb 3.40 2.62 -0.08 0.00 -3.07 0.00 0.00 36.82 39.69 1x02 h ILE 85 CO -0.12 0.74 -0.56 0.03 -0.69 0.00 0.00 178.15 177.55 1x02 h ARG 86 N 0.30 -0.38 -0.98 2.37 2.47 0.33 0.12 114.38 118.61 1x02 h ARG 86 Ca -0.17 0.03 0.33 0.00 -1.26 0.00 0.00 59.98 58.91 1x02 h ARG 86 Cb 1.87 0.09 -0.18 0.00 -1.65 0.00 0.00 29.97 30.09 1x02 h ARG 86 CO 0.23 -0.25 0.25 0.39 0.56 0.00 0.00 179.97 181.15 1x02 n GLU 87 N -5.38 -0.07 -0.06 0.04 -0.58 -1.17 0.12 120.64 113.55 1x02 n GLU 87 Ca -0.03 1.41 -0.16 0.00 -0.42 0.00 0.00 57.16 57.96 1x02 n GLU 87 Cb 0.34 -2.37 -0.06 0.00 -0.57 0.00 0.00 31.44 28.78 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 1.96 0.37 -0.52 0.62 0.00 -1.01 -2.99 119.26 117.69 1x02 h ALA 88 Ca 0.70 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x02 h ALA 88 Cb 1.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1x02 h ALA 88 CO -0.84 0.60 0.16 0.35 0.00 0.00 0.00 179.25 179.51 1x02 h PHE 89 N 0.53 0.78 -0.47 0.00 3.57 0.29 -2.73 116.94 118.92 1x02 h PHE 89 Ca -0.01 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1x02 h PHE 89 Cb 1.18 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1x02 h PHE 89 CO 0.08 0.64 0.15 0.00 -2.23 0.00 0.00 178.31 176.96 1x02 h ARG 90 N 0.75 0.72 0.32 1.11 3.08 -0.39 -1.85 114.38 118.13 1x02 h ARG 90 Ca 0.17 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1x02 h ARG 90 Cb 0.23 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1x02 h ARG 90 CO -0.01 0.68 -0.47 0.28 -1.07 0.00 0.00 179.97 179.38 1x02 h VAL 91 N 0.62 0.08 -0.47 2.04 2.07 -1.34 -2.69 116.25 116.56 1x02 h VAL 91 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1x02 h VAL 91 Cb 0.26 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1x02 h VAL 91 CO -0.01 0.00 0.17 -0.26 0.02 0.00 0.00 177.57 177.49 1x02 h PHE 92 N -0.85 0.29 -0.20 1.57 0.04 -1.52 -3.33 116.94 112.95 1x02 h PHE 92 Ca -0.03 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1x02 h PHE 92 Cb 0.78 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1x02 h PHE 92 CO -0.31 0.10 0.37 -3.47 -0.60 0.00 0.00 178.31 174.39 1x02 n ASP 93 N -5.01 1.88 0.27 2.17 2.03 -0.70 -4.22 116.55 112.97 1x02 n ASP 93 Ca 0.04 -2.56 -0.13 0.00 0.52 0.00 0.00 54.79 52.67 1x02 n ASP 93 Cb 0.18 -1.73 -0.06 0.00 -0.72 0.00 0.00 41.12 38.80 1x02 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1x02 h LYS 94 N 11.03 -0.73 -0.86 -0.67 1.79 -1.77 -2.94 116.57 122.41 1x02 h LYS 94 Ca 0.07 0.05 0.10 0.00 -2.18 0.00 0.00 60.65 58.70 1x02 h LYS 94 Cb 0.98 0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.72 1x02 h LYS 94 CO 1.09 -0.49 0.50 0.38 -1.08 0.00 0.00 179.45 179.85 1x02 h ASP 95 N -0.76 0.72 -1.00 0.86 2.03 -1.92 -3.47 116.42 112.89 1x02 h ASP 95 Ca -0.07 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1x02 h ASP 95 Cb 0.62 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1x02 h ASP 95 CO 0.05 0.40 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 1x02 n GLY 96 N -1.33 0.88 0.17 7.15 0.00 -1.11 -5.01 105.19 105.94 1x02 n GLY 96 Ca 0.15 -0.55 -0.19 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 0.91 2.04 0.00 1.61 6.94 -1.26 -5.05 115.26 120.46 1x02 n ASN 97 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1x02 n ASN 97 Cb 0.43 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 2.08 2.13 3.92 4.83 0.00 -1.26 -5.14 105.19 111.74 1x02 n GLY 98 Ca -0.42 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 3.42 -0.36 1.61 1.51 -1.26 -3.58 117.35 118.69 1x02 s TYR 99 Ca 0.00 0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1x02 s TYR 99 Cb 0.00 -1.62 0.10 0.00 -0.11 0.00 0.00 41.96 40.33 1x02 s TYR 99 CO 0.00 0.50 0.09 0.42 -1.11 0.00 0.00 175.55 175.45 1x02 s ILE 100 N -1.80 2.57 1.16 2.71 1.01 -1.09 -4.85 121.20 120.91 1x02 s ILE 100 Ca 0.34 -2.23 -0.17 0.00 0.00 0.00 0.00 60.65 58.58 1x02 s ILE 100 Cb -0.10 -2.83 0.27 0.00 0.01 0.00 0.00 42.46 39.80 1x02 s ILE 100 CO 0.28 -0.60 1.10 -0.94 0.00 0.00 0.00 174.94 174.77 1x02 s SER 101 N 1.17 1.25 0.07 3.58 1.04 -1.26 0.28 113.70 119.82 1x02 s SER 101 Ca 0.09 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 57.13 1x02 s SER 101 Cb -0.20 -1.17 -0.10 0.00 0.10 0.00 0.00 66.02 64.65 1x02 s SER 101 CO -0.07 -3.94 1.48 0.00 0.98 0.00 0.00 173.24 171.69 1x02 h ALA 102 N -2.45 0.31 0.07 5.32 0.00 -1.95 -2.83 119.26 117.72 1x02 h ALA 102 Ca -0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1x02 h ALA 102 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x02 h ALA 102 CO 0.41 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1x02 h ALA 103 N 0.77 -0.10 -0.27 0.00 0.00 -1.93 0.21 119.26 117.94 1x02 h ALA 103 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x02 h ALA 103 Cb 0.47 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1x02 h ALA 103 CO 0.02 -0.47 -0.54 0.93 0.00 0.00 0.00 179.25 179.19 1x02 h GLU 104 N -0.28 -0.46 -0.01 0.00 5.08 -1.91 -1.81 114.58 115.20 1x02 h GLU 104 Ca -0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1x02 h GLU 104 Cb 0.24 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1x02 h GLU 104 CO 0.02 -0.31 0.00 1.25 -1.00 0.00 0.00 179.01 178.97 1x02 h LEU 105 N -0.48 0.01 -0.86 1.33 6.46 -1.52 -3.03 115.31 117.22 1x02 h LEU 105 Ca 0.05 -0.20 0.23 0.00 -0.12 0.00 0.00 57.88 57.85 1x02 h LEU 105 Cb 0.62 -0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.39 1x02 h LEU 105 CO -0.51 0.21 -0.01 -1.14 -0.62 0.00 0.00 178.44 176.37 1x02 n ARG 106 N -4.99 -0.07 0.09 1.25 0.63 0.74 0.80 116.66 115.11 1x02 n ARG 106 Ca -0.07 1.30 -0.12 0.00 -0.92 0.00 0.00 57.85 58.04 1x02 n ARG 106 Cb 0.12 -2.05 -0.06 0.00 0.45 0.00 0.00 32.46 30.92 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 -0.29 -0.34 -0.14 2.76 -1.21 -2.95 115.15 112.97 1x02 h HIS 107 Ca 0.51 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.76 1x02 h HIS 107 Cb 1.04 0.12 -0.09 0.00 1.55 0.00 0.00 27.41 30.03 1x02 h HIS 107 CO -0.46 -0.17 -0.34 0.28 -1.30 0.00 0.00 177.93 175.93 1x02 h VAL 108 N -0.23 0.22 -0.92 5.26 2.07 0.36 -1.52 116.25 121.48 1x02 h VAL 108 Ca 0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1x02 h VAL 108 Cb 0.24 0.22 -0.16 0.00 -1.52 0.00 0.00 31.29 30.07 1x02 h VAL 108 CO -0.06 0.00 -0.31 0.24 0.02 0.00 0.00 177.57 177.47 1x02 h MET 109 N -0.29 -0.02 -0.75 1.57 2.07 -1.23 0.01 114.93 116.28 1x02 h MET 109 Ca 0.15 0.00 0.09 0.00 -2.07 0.00 0.00 59.70 57.87 1x02 h MET 109 Cb 0.55 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 30.17 1x02 h MET 109 CO -0.51 -0.01 -0.51 1.15 1.07 0.00 0.00 176.91 178.10 1x02 h THR 110 N -0.02 0.02 -0.90 2.22 2.02 -1.20 0.14 112.91 115.20 1x02 h THR 110 Ca 0.39 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.79 1x02 h THR 110 Cb 0.64 0.02 -0.17 0.00 -1.74 0.00 0.00 68.15 66.90 1x02 h THR 110 CO -0.95 0.00 -0.06 0.59 0.37 0.00 0.00 175.52 175.47 1x02 n ASN 111 N -5.35 -0.18 -0.31 4.18 3.02 -0.01 0.97 115.26 117.58 1x02 n ASN 111 Ca 0.02 1.53 0.12 0.00 -0.03 0.00 0.00 54.58 56.21 1x02 n ASN 111 Cb 0.32 -0.53 0.25 0.00 -0.61 0.00 0.00 39.78 39.22 1x02 n ASN 111 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1x02 h LEU 112 N 0.00 -0.31 0.00 3.41 3.38 -0.72 -3.44 115.31 117.63 1x02 h LEU 112 Ca 0.51 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.71 1x02 h LEU 112 Cb 0.97 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1x02 h LEU 112 CO -0.87 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.02 1x02 n GLY 113 N -1.44 0.42 3.27 0.83 0.00 0.27 -5.17 105.19 103.38 1x02 n GLY 113 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.81 -0.49 1.61 0.41 -1.13 -5.09 118.70 114.82 1x02 s GLU 114 Ca 0.00 -0.37 -0.07 0.00 -0.41 0.00 0.00 54.97 54.12 1x02 s GLU 114 Cb 0.00 0.36 0.13 0.00 -1.78 0.00 0.00 34.13 32.83 1x02 s GLU 114 CO 0.00 -0.26 0.34 0.15 -0.49 0.00 0.00 175.26 175.00 1x02 s LYS 115 N -2.20 2.41 0.38 1.61 3.01 -1.26 -4.02 119.74 119.67 1x02 s LYS 115 Ca -0.07 -1.91 0.06 0.00 -1.01 0.00 0.00 55.97 53.04 1x02 s LYS 115 Cb -0.02 -3.83 -0.00 0.00 -1.01 0.00 0.00 37.83 32.97 1x02 s LYS 115 CO -0.01 -1.17 0.53 -0.51 0.51 0.00 0.00 175.35 174.71 1x02 s LEU 116 N 1.08 3.82 0.19 3.17 1.43 -1.26 -5.13 118.68 121.97 1x02 s LEU 116 Ca 0.08 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1x02 s LEU 116 Cb -0.24 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1x02 s LEU 116 CO -0.02 -0.58 -0.12 0.42 0.23 0.00 0.00 176.35 176.27 1x02 s THR 117 N -2.29 1.51 0.31 5.49 -4.23 -1.26 -4.99 115.64 110.18 1x02 s THR 117 Ca 0.48 -2.15 0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1x02 s THR 117 Cb -0.10 -2.00 0.33 0.00 1.34 0.00 0.00 72.50 72.07 1x02 s THR 117 CO 0.33 -0.63 1.39 -0.67 -0.54 0.00 0.00 174.62 174.50 1x02 n ASP 118 N -0.32 0.20 0.02 3.99 2.03 -1.26 0.12 116.55 121.32 1x02 n ASP 118 Ca -0.09 1.47 -0.12 0.00 0.52 0.00 0.00 54.79 56.58 1x02 n ASP 118 Cb 0.61 -0.67 -0.07 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.03 -0.06 -0.67 4.39 -1.98 0.40 114.58 116.70 1x02 h GLU 119 Ca 0.69 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.43 1x02 h GLU 119 Cb 1.74 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.33 1x02 h GLU 119 CO -0.72 0.14 -0.28 0.93 -1.16 0.00 0.00 179.01 177.91 1x02 h GLU 120 N -0.08 -0.38 -0.56 2.33 4.39 0.53 -2.08 114.58 118.74 1x02 h GLU 120 Ca 0.01 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1x02 h GLU 120 Cb 0.11 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1x02 h GLU 120 CO -0.00 -0.25 0.05 0.28 -1.16 0.00 0.00 179.01 177.92 1x02 h VAL 121 N -0.40 1.26 -0.80 3.13 2.07 -1.33 -3.01 116.25 117.18 1x02 h VAL 121 Ca 0.08 -1.04 0.19 0.00 0.82 0.00 0.00 66.70 66.75 1x02 h VAL 121 Cb 0.51 0.84 -0.13 0.00 -1.52 0.00 0.00 31.29 31.00 1x02 h VAL 121 CO -0.28 0.38 0.17 0.44 0.02 0.00 0.00 177.57 178.29 1x02 h ASP 122 N 0.84 -0.06 -0.23 0.57 3.32 0.33 0.66 116.42 121.84 1x02 h ASP 122 Ca 0.16 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.40 1x02 h ASP 122 Cb 0.47 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1x02 h ASP 122 CO 0.02 -0.11 0.16 -0.33 -1.72 0.00 0.00 179.24 177.26 1x02 h GLU 123 N 0.22 0.25 0.01 3.56 5.08 -1.25 -1.96 114.58 120.48 1x02 h GLU 123 Ca 0.47 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1x02 h GLU 123 Cb 0.86 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1x02 h GLU 123 CO -0.60 0.17 -0.05 1.98 -1.00 0.00 0.00 179.01 179.51 1x02 h MET 124 N 0.26 0.02 -0.80 2.33 4.05 0.16 -3.29 114.93 117.66 1x02 h MET 124 Ca 0.09 -0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.67 1x02 h MET 124 Cb 0.05 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1x02 h MET 124 CO -0.02 0.92 0.55 0.82 0.23 0.00 0.00 176.91 179.41 1x02 h ILE 125 N -0.86 0.70 0.00 1.77 1.08 -0.54 0.55 117.51 120.20 1x02 h ILE 125 Ca -0.01 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1x02 h ILE 125 Cb 0.95 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1x02 h ILE 125 CO 0.01 0.05 0.00 -2.11 -0.69 0.00 0.00 178.15 175.41 1x02 n ARG 126 N -4.43 0.99 -0.02 2.37 1.85 -0.76 -0.66 116.66 115.99 1x02 n ARG 126 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.99 1x02 n ARG 126 Cb 0.69 -1.25 -0.02 0.00 -1.05 0.00 0.00 32.46 30.83 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 -0.24 0.83 -0.09 2.89 2.13 0.19 -4.81 120.64 121.54 1x02 n GLU 127 Ca 0.00 0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1x02 n GLU 127 Cb 0.13 -1.07 -0.11 0.00 0.27 0.00 0.00 31.44 30.65 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 -2.50 1.59 -1.47 4.31 0.00 -1.14 -4.87 120.51 116.43 1x02 n ALA 128 Ca -0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 53.44 52.26 1x02 n ALA 128 Cb 0.58 -0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.78 0.08 0.15 0.00 2.03 0.16 -4.73 116.55 111.46 1x02 n ASP 129 Ca -0.29 -1.28 -0.06 0.00 0.52 0.00 0.00 54.79 53.67 1x02 n ASP 129 Cb 0.96 -1.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 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 7.22 0.00 -0.78 5.18 1.08 -1.86 -3.30 117.51 125.05 1x02 h ILE 130 Ca 0.01 -0.32 0.18 0.00 -0.39 0.00 0.00 64.86 64.34 1x02 h ILE 130 Cb 1.05 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.68 1x02 h ILE 130 CO 1.22 0.00 0.19 0.44 -0.69 0.00 0.00 178.15 179.31 1x02 h ASP 131 N -0.73 -0.00 -0.13 1.72 3.32 -1.89 -3.46 116.42 115.24 1x02 h ASP 131 Ca -0.04 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1x02 h ASP 131 Cb 0.32 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1x02 h ASP 131 CO 0.07 -0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1x02 n GLY 132 N -1.36 1.09 0.38 2.75 0.00 -1.24 -5.01 105.19 101.79 1x02 n GLY 132 Ca 0.16 -0.10 0.08 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 0.23 2.41 -1.72 1.61 5.68 -1.26 -4.95 116.55 118.55 1x02 n ASP 133 Ca 0.00 -3.32 -0.17 0.00 -0.50 0.00 0.00 54.79 50.80 1x02 n ASP 133 Cb 0.07 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.54 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 -1.22 0.29 3.16 6.12 0.00 -1.26 -4.99 105.19 107.29 1x02 n GLY 134 Ca 0.19 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.41 0.82 -0.42 1.61 -0.21 -1.26 -3.20 119.66 112.58 1x02 s GLN 135 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.19 1x02 s GLN 135 Cb 0.00 -0.37 0.15 0.00 1.00 0.00 0.00 33.01 33.79 1x02 s GLN 135 CO 0.00 0.03 0.27 0.08 -2.12 0.00 0.00 175.29 173.55 1x02 s VAL 136 N -2.88 0.82 0.68 1.09 1.01 0.14 -4.44 120.40 116.82 1x02 s VAL 136 Ca 0.07 -2.38 -0.11 0.00 0.00 0.00 0.00 61.98 59.55 1x02 s VAL 136 Cb 0.00 -1.58 0.17 0.00 0.00 0.00 0.00 36.38 34.98 1x02 s VAL 136 CO -0.02 -1.01 0.59 -0.46 0.00 0.00 0.00 175.10 174.20 1x02 n ASN 137 N 3.47 -1.72 -0.13 3.32 0.23 -1.26 -2.67 115.26 116.49 1x02 n ASN 137 Ca 0.15 -0.83 -0.05 0.00 -0.53 0.00 0.00 54.58 53.32 1x02 n ASN 137 Cb 0.38 -0.55 0.02 0.00 -2.08 0.00 0.00 39.78 37.55 1x02 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1x02 h TYR 138 N -2.23 -0.51 0.21 -2.53 5.03 -1.96 0.26 116.97 115.23 1x02 h TYR 138 Ca -0.22 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 1x02 h TYR 138 Cb 0.69 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1x02 h TYR 138 CO 0.00 -0.29 -0.17 1.49 -1.32 0.00 0.00 178.16 177.87 1x02 h GLU 139 N -0.12 -0.36 -1.10 1.82 4.81 -1.92 0.52 114.58 118.24 1x02 h GLU 139 Ca 0.21 0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.77 1x02 h GLU 139 Cb 0.44 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 1x02 h GLU 139 CO -0.51 -0.24 0.72 0.93 -0.73 0.00 0.00 179.01 179.18 1x02 h GLU 140 N -0.37 0.29 -0.20 1.92 5.08 -1.81 0.38 114.58 119.87 1x02 h GLU 140 Ca -0.03 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1x02 h GLU 140 Cb 0.31 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1x02 h GLU 140 CO -0.00 0.19 -0.70 0.35 -1.00 0.00 0.00 179.01 177.85 1x02 h PHE 141 N 0.30 1.08 -0.37 4.33 3.57 0.02 -3.08 116.94 122.78 1x02 h PHE 141 Ca 0.62 -0.45 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1x02 h PHE 141 Cb 1.76 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1x02 h PHE 141 CO -0.00 1.28 0.14 0.28 -2.23 0.00 0.00 178.31 177.78 1x02 h VAL 142 N 0.59 1.20 -0.59 1.41 2.07 0.42 -2.74 116.25 118.60 1x02 h VAL 142 Ca -0.03 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1x02 h VAL 142 Cb 1.32 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1x02 h VAL 142 CO 0.15 0.22 0.26 1.56 0.02 0.00 0.00 177.57 179.77 1x02 h GLN 143 N 0.46 0.46 -0.95 1.57 1.08 -1.17 -1.45 115.11 115.11 1x02 h GLN 143 Ca 0.12 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1x02 h GLN 143 Cb 0.20 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 1x02 h GLN 143 CO -0.01 0.30 0.61 1.98 -0.95 0.00 0.00 178.83 180.77 1x02 h MET 144 N 0.47 1.13 -0.94 1.46 1.85 -1.43 0.19 114.93 117.66 1x02 h MET 144 Ca 0.29 -0.07 0.09 0.00 -0.61 0.00 0.00 59.70 59.40 1x02 h MET 144 Cb 0.29 -0.26 -0.07 0.00 0.43 0.00 0.00 31.60 32.00 1x02 h MET 144 CO -0.25 0.75 0.60 0.52 -0.40 0.00 0.00 176.91 178.13 1x02 h MET 145 N 1.17 0.96 0.00 0.39 2.86 -0.97 -1.61 114.93 117.73 1x02 h MET 145 Ca 0.38 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.77 1x02 h MET 145 Cb 0.04 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 1x02 h MET 145 CO -0.13 0.63 -1.11 1.79 1.06 0.00 0.00 176.91 179.15 1x02 h THR 146 N 0.99 1.16 -3.22 2.22 1.35 -1.07 -3.39 112.91 110.95 1x02 h THR 146 Ca 0.43 -2.80 -0.65 0.00 -0.55 0.00 0.00 66.41 62.84 1x02 h THR 146 Cb 0.35 2.54 -0.39 0.00 -1.73 0.00 0.00 68.15 68.91 1x02 h THR 146 CO -0.19 0.66 -0.41 0.00 -0.25 0.00 0.00 175.52 175.33 1x02 s ALA 147 N -2.77 3.89 -2.70 6.62 0.00 0.57 -5.12 121.76 122.25 1x02 s ALA 147 Ca -0.00 -3.75 0.22 0.00 0.00 0.00 0.00 51.96 48.42 1x02 s ALA 147 Cb 0.09 -2.41 0.17 0.00 0.00 0.00 0.00 23.12 20.97 1x02 s ALA 147 CO 0.80 -2.11 1.18 0.36 0.00 0.00 0.00 175.76 176.00