#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 -0.14 0.00 3.32 -2.11 -3.32 116.42 114.17 1x02 h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x02 h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x02 h ASP 2 CO 0.00 0.83 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1x02 n GLN 3 N -2.99 1.83 -3.60 3.56 1.13 -1.26 -4.39 117.38 111.67 1x02 n GLN 3 Ca -0.13 -0.72 -0.27 0.00 -1.94 0.00 0.00 57.00 53.94 1x02 n GLN 3 Cb 0.96 -1.59 -0.10 0.00 0.11 0.00 0.00 30.24 29.62 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 0.12 1.41 0.00 1.08 4.77 -1.25 -4.52 117.00 118.61 1x02 n LEU 4 Ca 0.06 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.20 1x02 n LEU 4 Cb 0.42 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1x02 n LEU 4 CO 0.07 1.85 0.00 0.41 -1.33 0.00 0.00 177.39 178.39 1x02 n THR 5 N 2.19 0.00 0.00 -5.08 -1.04 -1.26 -4.82 114.28 104.27 1x02 n THR 5 Ca 0.25 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1x02 n THR 5 Cb 0.42 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 -2.30 2.39 -0.09 -2.82 -0.58 -1.26 -4.45 120.64 111.53 1x02 n GLU 6 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1x02 n GLU 6 Cb 0.00 -0.81 -0.03 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.89 0.00 3.49 9.09 -1.94 -2.87 114.58 123.25 1x02 h GLU 7 Ca 0.00 -0.53 -0.01 0.00 0.05 0.00 0.00 59.36 58.86 1x02 h GLU 7 Cb 0.34 0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1x02 h GLU 7 CO 0.00 1.17 -0.21 1.96 0.05 0.00 0.00 179.01 181.98 1x02 h GLN 8 N 0.70 0.00 -0.96 1.06 1.08 -1.86 -3.32 115.11 111.80 1x02 h GLN 8 Ca 0.03 0.00 0.30 0.00 -1.45 0.00 0.00 58.65 57.53 1x02 h GLN 8 Cb 1.10 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.36 1x02 h GLN 8 CO 0.11 0.19 0.25 0.82 -0.95 0.00 0.00 178.83 179.25 1x02 h ILE 9 N -1.00 0.11 -0.59 2.54 5.03 -1.78 0.63 117.51 122.45 1x02 h ILE 9 Ca -0.02 -0.03 0.07 0.00 -0.12 0.00 0.00 64.86 64.76 1x02 h ILE 9 Cb 0.34 0.02 -0.06 0.00 -3.03 0.00 0.00 36.82 34.10 1x02 h ILE 9 CO -0.01 0.01 0.28 0.00 -0.68 0.00 0.00 178.15 177.75 1x02 h ALA 10 N 1.93 0.77 0.31 1.87 0.00 -1.66 0.87 119.26 123.35 1x02 h ALA 10 Ca 0.66 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.60 1x02 h ALA 10 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1x02 h ALA 10 CO -0.79 -0.09 -0.15 0.93 0.00 0.00 0.00 179.25 179.15 1x02 h GLU 11 N 0.52 -0.40 0.00 0.00 5.08 0.15 -0.67 114.58 119.27 1x02 h GLU 11 Ca 0.28 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1x02 h GLU 11 Cb 0.24 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1x02 h GLU 11 CO -0.22 -0.22 -0.13 0.74 -1.00 0.00 0.00 179.01 178.18 1x02 h PHE 12 N -0.47 0.00 0.14 4.33 0.04 -1.07 -2.93 116.94 116.98 1x02 h PHE 12 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1x02 h PHE 12 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1x02 h PHE 12 CO -0.04 0.13 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.51 1x02 h LYS 13 N 0.00 -0.18 -0.84 1.51 3.64 0.12 -2.46 116.57 118.36 1x02 h LYS 13 Ca -0.00 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 1x02 h LYS 13 Cb 0.52 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.24 1x02 h LYS 13 CO 0.02 -0.12 0.11 0.93 -2.27 0.00 0.00 179.45 178.11 1x02 h GLU 14 N -0.41 0.14 -0.25 1.90 4.39 -1.19 0.88 114.58 120.03 1x02 h GLU 14 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1x02 h GLU 14 Cb 0.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1x02 h GLU 14 CO 0.03 0.09 0.06 0.00 -1.16 0.00 0.00 179.01 178.03 1x02 h ALA 15 N 1.77 1.65 0.00 3.43 0.00 -1.62 -0.83 119.26 123.66 1x02 h ALA 15 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x02 h ALA 15 Cb 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x02 h ALA 15 CO -0.69 0.27 -0.30 0.34 0.00 0.00 0.00 179.25 178.88 1x02 n PHE 16 N -4.39 0.06 0.04 0.00 7.35 0.27 -3.58 117.46 117.21 1x02 n PHE 16 Ca 0.01 0.02 -0.17 0.00 -0.76 0.00 0.00 57.45 56.54 1x02 n PHE 16 Cb 0.16 -0.40 -0.14 0.00 0.35 0.00 0.00 39.48 39.45 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 0.37 -0.31 -2.13 0.02 0.91 -3.17 113.55 109.24 1x02 h SER 17 Ca 0.00 -0.61 -0.09 0.00 -0.84 0.00 0.00 61.79 60.25 1x02 h SER 17 Cb 0.52 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1x02 h SER 17 CO 0.00 1.52 -0.15 0.17 -1.14 0.00 0.00 176.83 177.23 1x02 h LEU 18 N 0.06 0.67 -0.49 5.07 8.10 -1.47 -3.17 115.31 124.07 1x02 h LEU 18 Ca -0.30 -0.41 -0.03 0.00 0.11 0.00 0.00 57.88 57.25 1x02 h LEU 18 Cb 2.03 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 42.04 1x02 h LEU 18 CO 0.14 0.93 0.19 -0.26 -4.11 0.00 0.00 178.44 175.33 1x02 h PHE 19 N 0.41 0.75 -1.49 0.17 0.04 -1.72 -3.38 116.94 111.71 1x02 h PHE 19 Ca 0.07 -0.06 -0.42 0.00 2.80 0.00 0.00 57.97 60.36 1x02 h PHE 19 Cb 0.68 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1x02 h PHE 19 CO 0.06 0.63 1.12 0.34 -0.60 0.00 0.00 178.31 179.87 1x02 s ASP 20 N -5.97 5.15 -0.05 2.17 2.15 -1.20 -4.68 116.67 114.24 1x02 s ASP 20 Ca -0.13 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 52.73 1x02 s ASP 20 Cb 0.11 -2.54 -0.31 0.00 -0.30 0.00 0.00 42.92 39.89 1x02 s ASP 20 CO 0.77 -2.56 0.70 0.11 -0.17 0.00 0.00 175.17 174.02 1x02 h LYS 21 N 13.87 0.38 -0.46 4.34 1.79 -1.82 -3.35 116.57 131.32 1x02 h LYS 21 Ca -0.13 -0.64 0.04 0.00 -2.18 0.00 0.00 60.65 57.74 1x02 h LYS 21 Cb 1.11 0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 31.96 1x02 h LYS 21 CO 1.21 1.31 0.21 -0.44 -1.08 0.00 0.00 179.45 180.66 1x02 h ASP 22 N -0.01 0.29 -0.35 0.86 3.32 -1.89 -3.47 116.42 115.17 1x02 h ASP 22 Ca -0.31 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1x02 h ASP 22 Cb 2.01 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.54 1x02 h ASP 22 CO 0.16 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 1x02 n GLY 23 N -1.24 0.83 0.58 2.75 0.00 -1.26 -5.03 105.19 101.83 1x02 n GLY 23 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x02 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 24 N 0.19 1.68 0.00 1.61 5.75 -1.26 -5.05 116.55 119.46 1x02 n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1x02 n ASP 24 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 25 N 3.01 0.31 3.20 6.12 0.00 -1.26 -5.12 105.19 111.46 1x02 n GLY 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.31 0.11 -0.32 2.61 -4.23 -1.26 -3.76 115.64 108.49 1x02 s THR 26 Ca 0.00 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1x02 s THR 26 Cb 0.00 -1.86 0.10 0.00 1.34 0.00 0.00 72.50 72.08 1x02 s THR 26 CO 0.00 -0.50 0.12 -0.63 -0.54 0.00 0.00 174.62 173.06 1x02 s ILE 27 N -3.99 0.70 0.55 2.99 1.01 0.53 -4.53 121.20 118.47 1x02 s ILE 27 Ca 0.18 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 1x02 s ILE 27 Cb 0.06 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1x02 s ILE 27 CO -0.01 -0.72 0.84 0.42 0.00 0.00 0.00 174.94 175.46 1x02 s THR 28 N 1.59 3.63 0.50 2.92 -4.23 -1.26 -3.66 115.64 115.14 1x02 s THR 28 Ca 0.11 -0.19 0.35 0.00 -1.18 0.00 0.00 61.69 60.78 1x02 s THR 28 Cb -0.18 -3.41 0.55 0.00 1.34 0.00 0.00 72.50 70.80 1x02 s THR 28 CO -0.24 -0.38 1.72 0.71 -0.54 0.00 0.00 174.62 175.89 1x02 h THR 29 N -0.02 0.30 -0.22 3.99 1.35 -1.97 1.19 112.91 117.53 1x02 h THR 29 Ca -0.45 -0.03 -0.11 0.00 -0.55 0.00 0.00 66.41 65.27 1x02 h THR 29 Cb 1.26 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1x02 h THR 29 CO 0.59 0.02 -0.32 0.50 -0.25 0.00 0.00 175.52 176.06 1x02 h LYS 30 N 0.09 0.45 0.05 4.72 1.63 -1.96 0.43 116.57 121.98 1x02 h LYS 30 Ca 0.69 -0.19 -0.20 0.00 -0.85 0.00 0.00 60.65 60.10 1x02 h LYS 30 Cb 2.48 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 34.08 1x02 h LYS 30 CO -0.13 0.72 -1.04 0.93 -3.45 0.00 0.00 179.45 176.47 1x02 h GLU 31 N 0.39 0.10 -0.28 1.90 5.08 0.94 -3.20 114.58 119.50 1x02 h GLU 31 Ca 0.05 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1x02 h GLU 31 Cb 0.75 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1x02 h GLU 31 CO 0.06 1.08 -0.10 1.25 -1.00 0.00 0.00 179.01 180.30 1x02 h LEU 32 N -0.71 0.58 -2.20 1.33 5.85 -0.58 -2.83 115.31 116.75 1x02 h LEU 32 Ca -0.25 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 1x02 h LEU 32 Cb 1.42 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1x02 h LEU 32 CO -0.05 0.83 -0.02 1.23 -0.34 0.00 0.00 178.44 180.09 1x02 h GLY 33 N 0.32 0.00 2.00 3.75 0.00 -0.31 0.24 103.07 109.07 1x02 h GLY 33 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 1x02 h GLY 33 CO 0.03 0.00 -0.82 0.00 0.00 0.00 0.00 176.54 175.76 1x02 h THR 34 N 0.00 1.54 0.05 4.70 1.03 -1.49 -3.12 112.91 115.61 1x02 h THR 34 Ca -0.00 -2.85 -0.37 0.00 -0.01 0.00 0.00 66.41 63.18 1x02 h THR 34 Cb 0.26 2.56 -0.05 0.00 -1.07 0.00 0.00 68.15 69.85 1x02 h THR 34 CO 0.00 0.80 -2.21 0.52 -0.01 0.00 0.00 175.52 174.62 1x02 n VAL 35 N -3.50 1.60 -0.26 0.00 0.31 -0.80 -3.89 118.33 111.79 1x02 n VAL 35 Ca -0.00 -0.66 0.01 0.00 -0.01 0.00 0.00 64.34 63.67 1x02 n VAL 35 Cb 0.80 -1.38 0.13 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.03 0.73 0.00 5.55 2.86 -0.67 0.28 114.93 123.70 1x02 h MET 36 Ca -0.49 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1x02 h MET 36 Cb 2.00 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.50 1x02 h MET 36 CO 0.01 0.48 -0.03 0.07 1.06 0.00 0.00 176.91 178.50 1x02 h ARG 37 N 0.75 0.00 -0.21 1.72 -0.00 -1.74 -2.84 114.38 112.06 1x02 h ARG 37 Ca 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 60.27 1x02 h ARG 37 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 1x02 h ARG 37 CO -0.21 0.03 -0.11 1.03 -0.00 0.00 0.00 179.97 180.71 1x02 h SER 38 N 0.00 0.33 0.30 0.08 0.87 -1.05 -2.93 113.55 111.15 1x02 h SER 38 Ca -0.00 -0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 60.16 1x02 h SER 38 Cb 0.64 -0.09 0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1x02 h SER 38 CO 0.00 0.48 -1.49 -0.07 -0.53 0.00 0.00 176.83 175.22 1x02 h LEU 39 N 0.33 0.77 0.00 2.23 3.38 -1.42 -3.48 115.31 117.12 1x02 h LEU 39 Ca 0.07 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1x02 h LEU 39 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1x02 h LEU 39 CO 0.02 1.68 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1x02 n GLY 40 N 1.71 0.40 0.10 0.83 0.00 -1.11 -5.09 105.19 102.04 1x02 n GLY 40 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.27 -3.15 1.61 1.13 -1.09 -5.02 117.38 111.14 1x02 n GLN 41 Ca 0.00 0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 55.03 1x02 n GLN 41 Cb 0.00 -0.97 0.07 0.00 0.11 0.00 0.00 30.24 29.45 1x02 n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1x02 n ASN 42 N -3.55 -2.58 -4.77 1.08 2.85 -1.26 -4.95 115.26 102.08 1x02 n ASN 42 Ca -0.07 -0.52 -0.35 0.00 -0.11 0.00 0.00 54.58 53.52 1x02 n ASN 42 Cb 0.27 -4.34 0.00 0.00 1.24 0.00 0.00 39.78 36.95 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x02 s PRO 43 N -4.98 3.33 0.54 1.20 0.04 -1.26 -5.04 135.00 128.83 1x02 s PRO 43 Ca 0.05 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1x02 s PRO 43 Cb -0.01 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1x02 s PRO 43 CO 0.60 -0.86 0.80 0.95 0.04 0.00 0.00 177.00 178.53 1x02 s THR 44 N -1.80 3.43 0.15 1.26 -4.23 -1.26 -4.75 115.64 108.45 1x02 s THR 44 Ca 0.73 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 1x02 s THR 44 Cb -0.24 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 1x02 s THR 44 CO 0.27 -0.27 1.52 -0.33 -0.54 0.00 0.00 174.62 175.28 1x02 h GLU 45 N 0.04 -0.02 -0.95 3.99 5.08 -1.98 0.67 114.58 121.42 1x02 h GLU 45 Ca -0.45 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.17 1x02 h GLU 45 Cb 1.27 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1x02 h GLU 45 CO 0.58 -0.01 0.46 0.00 -1.00 0.00 0.00 179.01 179.04 1x02 h ALA 46 N 0.42 1.64 0.23 3.43 0.00 -1.99 0.21 119.26 123.21 1x02 h ALA 46 Ca 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1x02 h ALA 46 Cb 0.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1x02 h ALA 46 CO -0.89 -0.42 -0.11 0.93 0.00 0.00 0.00 179.25 178.76 1x02 h GLU 47 N 0.38 -0.30 -0.23 0.00 4.39 -0.17 -2.23 114.58 116.41 1x02 h GLU 47 Ca 0.63 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.41 1x02 h GLU 47 Cb 1.29 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.95 1x02 h GLU 47 CO -0.56 0.06 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.11 1x02 h LEU 48 N -0.75 -0.53 -0.34 1.33 3.38 0.65 -0.25 115.31 118.80 1x02 h LEU 48 Ca -0.03 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1x02 h LEU 48 Cb 0.50 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1x02 h LEU 48 CO 0.05 -0.20 0.01 1.56 0.09 0.00 0.00 178.44 179.95 1x02 h GLN 49 N -0.15 0.10 -0.96 1.13 1.08 -0.70 0.13 115.11 115.74 1x02 h GLN 49 Ca 0.13 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.38 1x02 h GLN 49 Cb 0.35 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 1x02 h GLN 49 CO -0.33 0.07 0.63 -0.44 -0.95 0.00 0.00 178.83 177.81 1x02 h ASP 50 N 0.11 1.00 -0.09 1.46 3.32 -0.75 0.31 116.42 121.78 1x02 h ASP 50 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1x02 h ASP 50 Cb 0.22 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x02 h ASP 50 CO -0.27 0.66 -0.04 0.24 -1.72 0.00 0.00 179.24 178.10 1x02 h MET 51 N 1.15 0.18 -0.69 3.56 2.86 0.01 -0.43 114.93 121.57 1x02 h MET 51 Ca 0.40 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1x02 h MET 51 Cb 0.12 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1x02 h MET 51 CO -0.15 0.55 0.19 0.82 1.06 0.00 0.00 176.91 179.38 1x02 h ILE 52 N -0.19 1.25 -0.23 -1.22 2.04 -0.37 -1.37 117.51 117.42 1x02 h ILE 52 Ca 0.02 -0.91 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 1x02 h ILE 52 Cb 0.50 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1x02 h ILE 52 CO 0.01 0.35 -0.42 0.78 0.00 0.00 0.00 178.15 178.87 1x02 h ASN 53 N 1.03 0.60 -0.14 1.72 2.35 -0.39 0.14 115.58 120.89 1x02 h ASN 53 Ca 0.22 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 1x02 h ASN 53 Cb 0.33 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1x02 h ASN 53 CO -0.00 0.95 -0.36 -0.33 -1.65 0.00 0.00 177.43 176.04 1x02 h GLU 54 N 0.46 0.65 0.09 0.81 4.39 -0.76 -3.13 114.58 117.09 1x02 h GLU 54 Ca 0.04 -0.31 -0.26 0.00 0.34 0.00 0.00 59.36 59.16 1x02 h GLU 54 Cb 0.93 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1x02 h GLU 54 CO 0.08 0.91 -1.23 0.28 -1.16 0.00 0.00 179.01 177.89 1x02 h VAL 55 N 0.54 1.49 -1.38 3.13 2.07 -1.15 -3.46 116.25 117.49 1x02 h VAL 55 Ca 0.05 -3.11 -0.77 0.00 0.82 0.00 0.00 66.70 63.69 1x02 h VAL 55 Cb 0.87 2.88 0.02 0.00 -1.52 0.00 0.00 31.29 33.54 1x02 h VAL 55 CO 0.08 0.89 0.69 -0.67 0.02 0.00 0.00 177.57 178.58 1x02 n ASP 56 N -3.46 1.73 -0.07 0.57 2.03 0.47 -4.82 116.55 113.02 1x02 n ASP 56 Ca -0.08 1.12 -0.09 0.00 0.52 0.00 0.00 54.79 56.26 1x02 n ASP 56 Cb 1.01 -1.06 -0.06 0.00 -0.72 0.00 0.00 41.12 40.28 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 n ALA 57 N 4.15 1.73 1.53 -1.67 0.00 -1.26 -4.50 120.51 120.49 1x02 n ALA 57 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1x02 n ALA 57 Cb 0.09 0.20 0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.90 0.55 -2.65 0.00 5.68 -1.26 -4.85 116.55 111.12 1x02 n ASP 58 Ca -0.23 -2.01 -0.10 0.00 -0.50 0.00 0.00 54.79 51.94 1x02 n ASP 58 Cb 0.75 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.35 -0.49 0.12 6.12 0.00 -1.26 -4.80 105.19 105.23 1x02 n GLY 59 Ca 0.01 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1x02 n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1x02 h ASN 60 N -0.15 0.19 0.00 1.61 -1.07 -1.93 -3.50 115.58 110.73 1x02 h ASN 60 Ca -0.21 -0.71 0.00 0.00 0.07 0.00 0.00 56.30 55.45 1x02 h ASN 60 Cb 1.15 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 1x02 h ASN 60 CO 0.25 1.66 0.00 0.61 0.07 0.00 0.00 177.43 180.02 1x02 n GLY 61 N 1.68 3.57 3.84 9.14 0.00 -1.26 -5.11 105.19 117.05 1x02 n GLY 61 Ca -0.32 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 4.97 -0.05 2.61 -4.23 -1.26 -4.61 115.64 113.07 1x02 s THR 62 Ca 0.00 0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 61.07 1x02 s THR 62 Cb 0.00 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.06 1x02 s THR 62 CO 0.00 0.51 1.43 -0.63 -0.54 0.00 0.00 174.62 175.39 1x02 s ILE 63 N -1.16 3.80 0.19 2.99 1.01 -1.24 -4.82 121.20 121.96 1x02 s ILE 63 Ca 0.27 1.09 0.03 0.00 0.00 0.00 0.00 60.65 62.04 1x02 s ILE 63 Cb -0.17 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1x02 s ILE 63 CO 0.15 -0.04 0.22 0.47 0.00 0.00 0.00 174.94 175.74 1x02 n ASP 64 N 6.06 0.99 -0.12 3.58 8.00 -1.26 -0.34 116.55 133.45 1x02 n ASP 64 Ca 0.14 -1.54 -0.05 0.00 0.71 0.00 0.00 54.79 54.05 1x02 n ASP 64 Cb 0.44 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.21 0.13 -0.39 1.24 3.04 -1.96 0.32 116.94 119.53 1x02 h PHE 65 Ca -0.10 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.72 1x02 h PHE 65 Cb 0.41 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1x02 h PHE 65 CO 0.00 0.01 -0.39 -1.00 -2.02 0.00 0.00 178.31 174.91 1x02 h PRO 66 N 0.21 0.94 -0.52 6.41 0.13 -1.95 -3.20 132.00 134.02 1x02 h PRO 66 Ca 0.19 -0.50 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 1x02 h PRO 66 Cb 0.23 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1x02 h PRO 66 CO -0.25 1.16 -0.07 0.93 -0.23 0.00 0.00 178.00 179.54 1x02 h GLU 67 N 0.77 0.96 -0.96 0.86 5.08 -1.78 -2.89 114.58 116.61 1x02 h GLU 67 Ca 0.06 -0.34 0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1x02 h GLU 67 Cb 0.99 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 1x02 h GLU 67 CO 0.10 1.01 0.62 0.35 -1.00 0.00 0.00 179.01 180.08 1x02 h PHE 68 N 0.83 0.74 -0.88 4.33 3.57 -0.37 0.14 116.94 125.29 1x02 h PHE 68 Ca 0.14 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.84 1x02 h PHE 68 Cb 0.62 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 1x02 h PHE 68 CO 0.04 0.17 0.58 -0.07 -2.23 0.00 0.00 178.31 176.80 1x02 h LEU 69 N 0.54 0.52 -0.47 0.59 3.38 -1.54 -0.30 115.31 118.03 1x02 h LEU 69 Ca 0.52 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.50 1x02 h LEU 69 Cb 1.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1x02 h LEU 69 CO -0.26 0.24 0.14 0.74 0.09 0.00 0.00 178.44 179.39 1x02 h THR 70 N 0.54 1.23 -0.36 0.22 2.02 -0.85 -2.95 112.91 112.75 1x02 h THR 70 Ca 0.46 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1x02 h THR 70 Cb 0.94 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1x02 h THR 70 CO -0.20 0.28 0.07 -0.03 0.37 0.00 0.00 175.52 176.01 1x02 h MET 71 N 0.63 0.59 -1.00 6.66 1.85 -1.12 -2.86 114.93 119.67 1x02 h MET 71 Ca 0.15 -0.15 0.22 0.00 -0.61 0.00 0.00 59.70 59.31 1x02 h MET 71 Cb 0.28 -0.07 -0.12 0.00 0.43 0.00 0.00 31.60 32.13 1x02 h MET 71 CO -0.00 0.65 0.60 0.52 -0.40 0.00 0.00 176.91 178.27 1x02 h MET 72 N 0.43 0.65 0.14 0.39 2.07 -1.16 1.69 114.93 119.15 1x02 h MET 72 Ca 0.11 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 1x02 h MET 72 Cb 0.33 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1x02 h MET 72 CO 0.00 0.43 -0.07 0.00 1.07 0.00 0.00 176.91 178.35 1x02 h ALA 73 N 1.69 -0.19 0.00 6.32 0.00 -1.34 0.82 119.26 126.56 1x02 h ALA 73 Ca 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1x02 h ALA 73 Cb 1.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x02 h ALA 73 CO -0.43 -0.58 -0.09 0.54 0.00 0.00 0.00 179.25 178.70 1x02 n ARG 74 N -5.14 0.09 0.03 0.00 1.74 -0.39 -3.23 116.66 109.75 1x02 n ARG 74 Ca -0.08 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.17 1x02 n ARG 74 Cb 0.12 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x02 n LYS 75 N -1.74 0.55 -0.29 5.56 3.00 0.56 -4.25 118.16 121.55 1x02 n LYS 75 Ca 0.06 -0.06 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1x02 n LYS 75 Cb 0.37 -1.62 0.39 0.00 0.00 0.00 0.00 35.03 34.17 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 0.63 0.08 1.64 2.86 0.68 -0.02 114.93 120.80 1x02 h MET 76 Ca 0.00 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.35 1x02 h MET 76 Cb 0.93 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1x02 h MET 76 CO 0.00 0.42 -1.12 1.57 1.06 0.00 0.00 176.91 178.84 1x02 h LYS 77 N 0.65 0.26 -0.17 1.72 5.09 -1.77 -2.58 116.57 119.76 1x02 h LYS 77 Ca 0.49 -0.39 0.05 0.00 0.09 0.00 0.00 60.65 60.90 1x02 h LYS 77 Cb 0.89 0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.35 1x02 h LYS 77 CO -0.25 1.15 0.14 -0.44 -2.09 0.00 0.00 179.45 177.96 1x02 h ASP 78 N 0.10 0.00 -0.02 7.07 3.32 -1.19 -0.05 116.42 125.65 1x02 h ASP 78 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1x02 h ASP 78 Cb 1.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1x02 h ASP 78 CO 0.18 0.00 -0.15 0.35 -1.72 0.00 0.00 179.24 177.90 1x02 n THR 79 N -4.23 0.00 -0.65 0.35 -2.24 -0.91 -4.54 114.28 102.05 1x02 n THR 79 Ca 0.01 -0.42 0.50 0.00 -2.27 0.00 0.00 64.05 61.87 1x02 n THR 79 Cb 0.27 1.31 0.79 0.00 -2.10 0.00 0.00 70.33 70.60 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 0.56 0.05 -0.25 3.42 2.03 -0.03 -0.22 116.55 122.11 1x02 n ASP 80 Ca 0.09 1.09 0.29 0.00 0.52 0.00 0.00 54.79 56.79 1x02 n ASP 80 Cb 0.42 -0.54 0.45 0.00 -0.72 0.00 0.00 41.12 40.73 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x02 n SER 81 N -4.12 0.00 -0.22 1.67 7.64 -1.26 -1.89 113.62 115.45 1x02 n SER 81 Ca 0.44 0.76 -0.01 0.00 1.01 0.00 0.00 58.87 61.07 1x02 n SER 81 Cb 1.91 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 64.85 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 -3.26 -0.15 -0.01 1.43 2.13 0.69 0.17 120.64 121.64 1x02 n GLU 82 Ca 0.24 0.85 -0.09 0.00 0.66 0.00 0.00 57.16 58.83 1x02 n GLU 82 Cb 1.55 -1.26 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 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 -0.19 -0.65 5.31 4.39 -1.67 0.03 114.58 121.80 1x02 h GLU 83 Ca 0.18 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.08 1x02 h GLU 83 Cb 0.32 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1x02 h GLU 83 CO -0.55 -0.13 1.03 0.93 -1.16 0.00 0.00 179.01 179.14 1x02 h GLU 84 N -0.20 0.00 0.08 2.33 4.39 0.15 1.32 114.58 122.65 1x02 h GLU 84 Ca 0.11 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.46 1x02 h GLU 84 Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1x02 h GLU 84 CO -0.28 0.00 -1.99 -0.89 -1.16 0.00 0.00 179.01 174.69 1x02 n ILE 85 N -3.09 1.71 -0.39 3.13 5.41 -0.04 -4.39 119.36 121.70 1x02 n ILE 85 Ca 0.14 -0.69 -0.08 0.00 1.00 0.00 0.00 62.75 63.13 1x02 n ILE 85 Cb 1.24 -1.50 -0.06 0.00 -0.71 0.00 0.00 39.64 38.60 1x02 n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x02 n ARG 86 N -3.34 -0.36 -0.29 0.38 5.12 0.45 0.30 116.66 118.92 1x02 n ARG 86 Ca -0.30 1.43 0.10 0.00 -1.93 0.00 0.00 57.85 57.15 1x02 n ARG 86 Cb 1.05 -2.10 0.20 0.00 -1.16 0.00 0.00 32.46 30.45 1x02 n ARG 86 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x02 n GLU 87 N -5.23 -0.07 -0.01 5.56 -0.58 -1.21 0.12 120.64 119.22 1x02 n GLU 87 Ca 0.04 1.24 -0.10 0.00 -0.42 0.00 0.00 57.16 57.92 1x02 n GLU 87 Cb 0.28 -1.93 -0.04 0.00 -0.57 0.00 0.00 31.44 29.17 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 1.63 0.11 0.00 0.62 0.00 -0.41 -1.51 119.26 119.71 1x02 h ALA 88 Ca 0.46 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1x02 h ALA 88 Cb 0.89 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x02 h ALA 88 CO -0.79 -0.44 -0.06 0.35 0.00 0.00 0.00 179.25 178.30 1x02 h PHE 89 N 0.06 0.00 0.25 0.00 3.04 0.11 -2.85 116.94 117.56 1x02 h PHE 89 Ca 0.05 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1x02 h PHE 89 Cb 0.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1x02 h PHE 89 CO -0.12 0.06 -0.12 0.00 -2.02 0.00 0.00 178.31 176.11 1x02 h ARG 90 N 0.00 -0.33 -0.12 1.11 3.08 0.11 -2.93 114.38 115.31 1x02 h ARG 90 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1x02 h ARG 90 Cb 0.19 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1x02 h ARG 90 CO 0.01 -0.02 -0.34 0.28 -1.07 0.00 0.00 179.97 178.83 1x02 h VAL 91 N -0.65 0.26 -0.99 2.04 2.07 -1.24 -0.94 116.25 116.80 1x02 h VAL 91 Ca -0.03 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.75 1x02 h VAL 91 Cb 0.46 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.36 1x02 h VAL 91 CO 0.06 0.00 0.55 -0.26 0.02 0.00 0.00 177.57 177.94 1x02 h PHE 92 N -0.42 0.93 -0.31 1.57 -1.00 -1.59 -3.34 116.94 112.77 1x02 h PHE 92 Ca 0.09 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1x02 h PHE 92 Cb 0.56 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1x02 h PHE 92 CO -0.41 -0.04 0.02 0.34 -1.61 0.00 0.00 178.31 176.61 1x02 s ASP 93 N -5.09 3.79 -0.00 2.17 -1.08 -0.36 -4.29 116.67 111.81 1x02 s ASP 93 Ca -0.11 -0.13 -0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1x02 s ASP 93 Cb 0.28 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 39.14 1x02 s ASP 93 CO 0.79 -4.05 0.70 0.11 0.52 0.00 0.00 175.17 173.24 1x02 h LYS 94 N 12.50 -0.23 -0.95 4.34 1.79 -1.82 -3.26 116.57 128.93 1x02 h LYS 94 Ca 0.00 0.02 0.22 0.00 -2.18 0.00 0.00 60.65 58.71 1x02 h LYS 94 Cb 1.00 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.58 1x02 h LYS 94 CO 1.01 -0.15 0.50 0.38 -1.08 0.00 0.00 179.45 180.11 1x02 h ASP 95 N -0.35 0.54 -1.52 0.86 3.04 -1.91 -3.46 116.42 113.61 1x02 h ASP 95 Ca -0.02 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1x02 h ASP 95 Cb 0.18 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1x02 h ASP 95 CO 0.04 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.93 1x02 n GLY 96 N -1.32 0.63 0.11 7.15 0.00 -1.23 -5.01 105.19 105.52 1x02 n GLY 96 Ca 0.24 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.10 2.74 0.00 1.61 6.94 -1.26 -5.05 115.26 120.13 1x02 n ASN 97 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1x02 n ASN 97 Cb 0.46 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 2.75 2.11 3.90 4.83 0.00 -1.26 -5.15 105.19 112.37 1x02 n GLY 98 Ca -0.26 -0.18 -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 2.81 -0.46 1.61 1.51 -1.26 -4.49 117.35 117.07 1x02 s TYR 99 Ca 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1x02 s TYR 99 Cb 0.00 -2.09 0.12 0.00 -0.11 0.00 0.00 41.96 39.88 1x02 s TYR 99 CO 0.00 -0.08 0.21 0.42 -1.11 0.00 0.00 175.55 174.99 1x02 s ILE 100 N -2.39 2.70 0.54 2.71 1.01 -0.30 -4.82 121.20 120.65 1x02 s ILE 100 Ca 0.47 -2.82 -0.09 0.00 0.00 0.00 0.00 60.65 58.20 1x02 s ILE 100 Cb -0.05 -2.89 0.13 0.00 0.01 0.00 0.00 42.46 39.66 1x02 s ILE 100 CO 0.29 -0.73 0.50 -1.20 0.00 0.00 0.00 174.94 173.79 1x02 n SER 101 N 3.69 -1.35 -0.09 3.58 7.64 -1.26 -1.15 113.62 124.67 1x02 n SER 101 Ca 0.04 -0.84 -0.11 0.00 1.01 0.00 0.00 58.87 58.97 1x02 n SER 101 Cb 0.37 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 1x02 n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x02 h ALA 102 N -2.29 0.37 -0.53 -0.43 0.00 -1.97 -2.96 119.26 111.45 1x02 h ALA 102 Ca -0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1x02 h ALA 102 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1x02 h ALA 102 CO 0.12 0.16 0.32 0.00 0.00 0.00 0.00 179.25 179.85 1x02 h ALA 103 N 0.79 0.68 0.16 0.00 0.00 -1.93 0.38 119.26 119.34 1x02 h ALA 103 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x02 h ALA 103 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1x02 h ALA 103 CO 0.02 0.17 -0.35 0.93 0.00 0.00 0.00 179.25 180.02 1x02 h GLU 104 N 0.71 -0.53 -0.30 0.00 5.08 -1.87 -1.03 114.58 116.64 1x02 h GLU 104 Ca 0.19 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1x02 h GLU 104 Cb -0.01 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1x02 h GLU 104 CO -0.04 -0.35 0.11 1.25 -1.00 0.00 0.00 179.01 178.98 1x02 h LEU 105 N -0.55 0.43 -0.78 1.33 6.46 -1.50 -2.85 115.31 117.85 1x02 h LEU 105 Ca -0.02 -0.19 0.14 0.00 -0.12 0.00 0.00 57.88 57.70 1x02 h LEU 105 Cb 0.52 -0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 40.20 1x02 h LEU 105 CO -0.15 0.50 -0.27 -0.09 -0.62 0.00 0.00 178.44 177.81 1x02 h ARG 106 N 0.34 -0.05 -0.12 1.25 2.43 -0.07 0.27 114.38 118.43 1x02 h ARG 106 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1x02 h ARG 106 Cb 0.22 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1x02 h ARG 106 CO -0.01 -0.03 0.08 1.25 -1.51 0.00 0.00 179.97 179.75 1x02 h HIS 107 N -0.05 0.15 0.19 2.20 2.76 -1.08 -1.56 115.15 117.77 1x02 h HIS 107 Ca 0.34 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1x02 h HIS 107 Cb 0.58 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1x02 h HIS 107 CO -0.68 0.12 -0.32 0.28 -1.30 0.00 0.00 177.93 176.02 1x02 h VAL 108 N 0.14 0.32 -0.20 5.26 2.07 -0.65 -2.78 116.25 120.41 1x02 h VAL 108 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1x02 h VAL 108 Cb 0.01 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1x02 h VAL 108 CO -0.01 0.00 -0.22 0.24 0.02 0.00 0.00 177.57 177.60 1x02 h MET 109 N -0.59 -0.23 -0.96 1.57 2.86 -0.52 -2.35 114.93 114.71 1x02 h MET 109 Ca 0.01 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1x02 h MET 109 Cb 0.59 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 32.14 1x02 h MET 109 CO -0.15 -0.15 -0.37 1.15 1.06 0.00 0.00 176.91 178.45 1x02 h THR 110 N -0.24 0.02 -0.93 2.22 2.02 -1.02 0.54 112.91 115.52 1x02 h THR 110 Ca 0.12 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.58 1x02 h THR 110 Cb 0.43 0.02 -0.16 0.00 -1.74 0.00 0.00 68.15 66.70 1x02 h THR 110 CO -0.34 0.00 0.24 0.78 0.37 0.00 0.00 175.52 176.57 1x02 h ASN 111 N -0.02 -0.05 -0.97 4.18 2.35 -1.17 0.46 115.58 120.36 1x02 h ASN 111 Ca 0.35 0.23 0.30 0.00 -0.55 0.00 0.00 56.30 56.63 1x02 h ASN 111 Cb 0.60 0.32 -0.15 0.00 0.05 0.00 0.00 38.32 39.14 1x02 h ASN 111 CO -0.96 -0.25 0.43 -0.07 -1.65 0.00 0.00 177.43 174.93 1x02 h LEU 112 N 0.13 0.28 0.00 1.61 3.38 0.06 -3.43 115.31 117.34 1x02 h LEU 112 Ca 0.62 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.80 1x02 h LEU 112 Cb 1.35 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1x02 h LEU 112 CO -0.74 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.21 1x02 n GLY 113 N -1.33 0.33 3.22 0.83 0.00 0.16 -5.17 105.19 103.24 1x02 n GLY 113 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.74 -0.39 1.61 0.41 -0.95 -5.09 118.70 115.03 1x02 s GLU 114 Ca 0.00 -0.49 -0.03 0.00 -0.41 0.00 0.00 54.97 54.03 1x02 s GLU 114 Cb 0.00 0.32 0.10 0.00 -1.78 0.00 0.00 34.13 32.77 1x02 s GLU 114 CO 0.00 -0.23 0.18 0.15 -0.49 0.00 0.00 175.26 174.88 1x02 s LYS 115 N -2.33 2.12 0.45 1.61 1.02 -1.26 -4.17 119.74 117.18 1x02 s LYS 115 Ca -0.07 -1.71 0.08 0.00 0.02 0.00 0.00 55.97 54.29 1x02 s LYS 115 Cb -0.02 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1x02 s LYS 115 CO -0.02 -1.00 0.45 -0.51 -0.92 0.00 0.00 175.35 173.36 1x02 s LEU 116 N 1.18 3.31 0.13 3.17 1.43 -1.26 -5.13 118.68 121.51 1x02 s LEU 116 Ca 0.06 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1x02 s LEU 116 Cb -0.22 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1x02 s LEU 116 CO -0.03 -0.80 -0.07 0.42 0.23 0.00 0.00 176.35 176.09 1x02 s THR 117 N -2.51 0.90 0.31 5.49 -4.23 -1.26 -4.99 115.64 109.34 1x02 s THR 117 Ca 0.49 -1.99 0.15 0.00 -1.18 0.00 0.00 61.69 59.15 1x02 s THR 117 Cb -0.04 -1.80 0.31 0.00 1.34 0.00 0.00 72.50 72.31 1x02 s THR 117 CO 0.29 -0.78 1.34 0.47 -0.54 0.00 0.00 174.62 175.40 1x02 n ASP 118 N -0.13 0.22 0.19 3.99 9.92 -1.26 0.78 116.55 130.26 1x02 n ASP 118 Ca -0.11 1.42 -0.15 0.00 -0.53 0.00 0.00 54.79 55.43 1x02 n ASP 118 Cb 0.61 -0.66 -0.08 0.00 -0.64 0.00 0.00 41.12 40.35 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1x02 h GLU 119 N 0.00 -0.45 -0.47 -1.24 4.39 -1.98 0.30 114.58 115.14 1x02 h GLU 119 Ca 0.68 0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.51 1x02 h GLU 119 Cb 1.75 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 30.40 1x02 h GLU 119 CO -0.69 -0.21 -0.25 0.93 -1.16 0.00 0.00 179.01 177.63 1x02 h GLU 120 N -0.60 -0.15 -0.41 2.33 4.39 -0.03 -1.32 114.58 118.80 1x02 h GLU 120 Ca -0.05 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1x02 h GLU 120 Cb 0.44 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1x02 h GLU 120 CO 0.08 -0.10 -0.04 0.28 -1.16 0.00 0.00 179.01 178.07 1x02 h VAL 121 N -0.15 1.27 -0.90 3.13 2.07 -1.35 -3.11 116.25 117.20 1x02 h VAL 121 Ca 0.21 -1.10 0.22 0.00 0.82 0.00 0.00 66.70 66.86 1x02 h VAL 121 Cb 0.49 1.15 -0.17 0.00 -1.52 0.00 0.00 31.29 31.25 1x02 h VAL 121 CO -0.56 0.37 -0.03 0.44 0.02 0.00 0.00 177.57 177.81 1x02 h ASP 122 N 0.58 -0.50 -0.45 0.57 5.19 0.76 1.30 116.42 123.87 1x02 h ASP 122 Ca 0.11 0.25 0.06 0.00 -0.62 0.00 0.00 57.03 56.84 1x02 h ASP 122 Cb 0.54 0.46 -0.03 0.00 0.18 0.00 0.00 39.33 40.49 1x02 h ASP 122 CO 0.03 -0.28 0.31 -0.33 -3.12 0.00 0.00 179.24 175.84 1x02 h GLU 123 N 0.04 0.34 0.06 3.56 5.08 -1.37 -1.80 114.58 120.49 1x02 h GLU 123 Ca 0.51 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1x02 h GLU 123 Cb 0.96 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x02 h GLU 123 CO -0.84 0.23 -0.03 1.98 -1.00 0.00 0.00 179.01 179.34 1x02 h MET 124 N 0.35 -0.07 -0.87 2.33 4.05 0.15 -3.25 114.93 117.62 1x02 h MET 124 Ca 0.20 0.01 0.19 0.00 -0.28 0.00 0.00 59.70 59.82 1x02 h MET 124 Cb 0.34 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 1x02 h MET 124 CO -0.05 0.52 0.58 0.82 0.23 0.00 0.00 176.91 179.01 1x02 h ILE 125 N -0.79 0.70 0.00 1.77 1.08 -0.76 0.62 117.51 120.13 1x02 h ILE 125 Ca -0.01 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1x02 h ILE 125 Cb 0.63 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1x02 h ILE 125 CO 0.01 0.07 0.00 -2.11 -0.69 0.00 0.00 178.15 175.43 1x02 n ARG 126 N -4.50 0.97 -0.05 2.37 1.85 -0.71 -0.74 116.66 115.86 1x02 n ARG 126 Ca 0.18 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.96 1x02 n ARG 126 Cb 0.67 -1.22 -0.04 0.00 -1.05 0.00 0.00 32.46 30.82 1x02 n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1x02 n GLU 127 N -0.27 0.22 -0.10 2.89 2.13 0.22 -4.80 120.64 120.93 1x02 n GLU 127 Ca 0.00 0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.76 1x02 n GLU 127 Cb 0.11 -1.11 -0.12 0.00 0.27 0.00 0.00 31.44 30.59 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 -2.90 1.55 -1.60 4.31 0.00 -1.15 -4.93 120.51 115.79 1x02 n ALA 128 Ca -0.17 -1.04 -0.46 0.00 0.00 0.00 0.00 53.44 51.77 1x02 n ALA 128 Cb 0.66 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 3.24 -0.08 0.00 2.03 0.08 -4.69 116.55 114.26 1x02 n ASP 129 Ca -0.33 0.53 -0.11 0.00 0.52 0.00 0.00 54.79 55.40 1x02 n ASP 129 Cb 0.99 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 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 6.52 0.53 -0.77 5.18 1.08 -1.86 -3.38 117.51 124.81 1x02 h ILE 130 Ca -0.41 -1.55 0.04 0.00 -0.39 0.00 0.00 64.86 62.55 1x02 h ILE 130 Cb 1.26 1.16 -0.05 0.00 -3.07 0.00 0.00 36.82 36.12 1x02 h ILE 130 CO 0.97 0.18 0.48 0.44 -0.69 0.00 0.00 178.15 179.52 1x02 h ASP 131 N -1.00 0.77 -1.06 1.72 3.32 -1.92 -3.47 116.42 114.78 1x02 h ASP 131 Ca -0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1x02 h ASP 131 Cb 0.74 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1x02 h ASP 131 CO -0.07 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.58 1x02 n GLY 132 N -1.31 0.60 0.35 2.75 0.00 -1.26 -5.01 105.19 101.31 1x02 n GLY 132 Ca 0.10 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.21 2.43 -1.34 1.61 5.75 -1.26 -4.95 116.55 118.58 1x02 n ASP 133 Ca 0.00 -3.29 -0.13 0.00 -0.01 0.00 0.00 54.79 51.36 1x02 n ASP 133 Cb 0.30 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.23 0.28 3.21 6.12 0.00 -1.26 -5.01 105.19 107.30 1x02 n GLY 134 Ca 0.18 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.20 0.95 -0.39 1.61 -0.21 -1.26 -3.76 119.66 112.40 1x02 s GLN 135 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.05 1x02 s GLN 135 Cb 0.00 -0.50 0.13 0.00 1.00 0.00 0.00 33.01 33.64 1x02 s GLN 135 CO 0.00 0.06 0.21 0.08 -2.12 0.00 0.00 175.29 173.52 1x02 s VAL 136 N -3.14 0.77 1.08 1.09 1.01 -0.30 -4.55 120.40 116.36 1x02 s VAL 136 Ca 0.12 -2.05 -0.17 0.00 0.00 0.00 0.00 61.98 59.89 1x02 s VAL 136 Cb 0.02 -1.55 0.23 0.00 0.00 0.00 0.00 36.38 35.07 1x02 s VAL 136 CO -0.01 -0.92 1.17 0.54 0.00 0.00 0.00 175.10 175.88 1x02 s ASN 137 N 0.81 2.04 0.13 3.32 2.20 -1.26 -1.15 114.94 121.03 1x02 s ASN 137 Ca 0.17 0.64 -0.29 0.00 -0.94 0.00 0.00 52.86 52.44 1x02 s ASN 137 Cb -0.23 -0.92 -0.05 0.00 -2.00 0.00 0.00 41.25 38.05 1x02 s ASN 137 CO -0.02 -3.43 1.58 0.22 -2.94 0.00 0.00 177.10 172.51 1x02 h TYR 138 N -2.11 -1.20 -0.29 1.54 3.20 -1.97 0.15 116.97 116.28 1x02 h TYR 138 Ca -0.47 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.51 1x02 h TYR 138 Cb 1.29 0.55 -0.08 0.00 1.54 0.00 0.00 36.73 40.03 1x02 h TYR 138 CO -1.28 -0.47 -0.41 1.49 -1.64 0.00 0.00 178.16 175.85 1x02 h GLU 139 N -0.46 -0.38 -0.77 1.82 4.81 -1.98 0.40 114.58 118.02 1x02 h GLU 139 Ca 0.09 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1x02 h GLU 139 Cb 0.62 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1x02 h GLU 139 CO -0.42 -0.25 0.51 0.93 -0.73 0.00 0.00 179.01 179.04 1x02 h GLU 140 N -0.39 0.63 -0.10 1.92 5.08 -1.70 -1.80 114.58 118.22 1x02 h GLU 140 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1x02 h GLU 140 Cb 0.60 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1x02 h GLU 140 CO -0.49 0.42 -0.06 0.35 -1.00 0.00 0.00 179.01 178.22 1x02 h PHE 141 N 0.65 0.25 0.03 4.33 3.57 0.17 -3.10 116.94 122.83 1x02 h PHE 141 Ca 0.36 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1x02 h PHE 141 Cb 0.52 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1x02 h PHE 141 CO -0.00 0.60 -0.25 0.28 -2.23 0.00 0.00 178.31 176.71 1x02 h VAL 142 N -0.17 0.44 -0.67 1.41 2.07 0.39 -2.49 116.25 117.23 1x02 h VAL 142 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 1x02 h VAL 142 Cb 0.54 0.44 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1x02 h VAL 142 CO 0.02 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.94 1x02 h GLN 143 N -0.40 -0.05 -0.61 1.57 1.08 -1.41 0.81 115.11 116.10 1x02 h GLN 143 Ca 0.05 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 1x02 h GLN 143 Cb 0.47 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.81 1x02 h GLN 143 CO -0.20 -0.04 0.02 1.98 -0.95 0.00 0.00 178.83 179.64 1x02 h MET 144 N -0.06 0.13 -0.86 1.46 1.85 -1.37 0.26 114.93 116.34 1x02 h MET 144 Ca 0.30 -0.01 0.17 0.00 -0.61 0.00 0.00 59.70 59.56 1x02 h MET 144 Cb 0.53 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.47 1x02 h MET 144 CO -0.72 0.09 0.57 0.52 -0.40 0.00 0.00 176.91 176.97 1x02 h MET 145 N 0.14 0.50 -0.99 0.39 2.86 -0.59 -1.70 114.93 115.54 1x02 h MET 145 Ca 0.32 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.36 1x02 h MET 145 Cb 0.51 -0.11 -0.42 0.00 0.06 0.00 0.00 31.60 31.64 1x02 h MET 145 CO -0.50 0.33 -0.68 0.25 1.06 0.00 0.00 176.91 177.37 1x02 n THR 146 N -4.53 2.56 -4.05 2.22 -2.24 0.62 -5.04 114.28 103.83 1x02 n THR 146 Ca 0.17 -4.35 -0.27 0.00 -2.27 0.00 0.00 64.05 57.34 1x02 n THR 146 Cb 0.58 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 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 -3.60 4.20 0.00 6.98 0.00 0.50 -4.95 121.76 124.89 1x02 s ALA 147 Ca 0.51 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1x02 s ALA 147 Cb 0.41 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1x02 s ALA 147 CO -0.03 -0.31 0.00 0.36 0.00 0.00 0.00 175.76 175.78