#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 0.00 -1.59 0.00 5.75 -1.26 0.78 116.55 120.23 1x02 n ASP 2 Ca 0.00 0.89 -0.07 0.00 -0.01 0.00 0.00 54.79 55.60 1x02 n ASP 2 Cb 0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1x02 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x02 n GLN 3 N -3.63 1.35 -3.13 0.11 1.13 -1.26 -4.27 117.38 107.68 1x02 n GLN 3 Ca 0.36 -0.71 -0.20 0.00 -1.94 0.00 0.00 57.00 54.51 1x02 n GLN 3 Cb 1.81 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 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 0.77 1.72 0.00 1.08 4.77 0.23 -4.87 117.00 120.71 1x02 n LEU 4 Ca 0.14 -5.17 -0.08 0.00 -0.03 0.00 0.00 56.01 50.87 1x02 n LEU 4 Cb 0.59 0.40 0.05 0.00 -2.33 0.00 0.00 43.42 42.13 1x02 n LEU 4 CO 0.17 2.30 0.23 0.41 -1.33 0.00 0.00 177.39 179.16 1x02 n THR 5 N 0.19 0.00 -0.28 -5.08 -1.04 -1.26 -4.60 114.28 102.22 1x02 n THR 5 Ca 0.26 -0.42 0.24 0.00 -2.04 0.00 0.00 64.05 62.09 1x02 n THR 5 Cb 0.59 -1.49 0.40 0.00 -1.82 0.00 0.00 70.33 68.01 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 -1.73 -0.02 0.10 -2.82 -0.58 -1.26 0.12 120.64 114.45 1x02 n GLU 6 Ca 0.05 0.74 -0.14 0.00 -0.42 0.00 0.00 57.16 57.39 1x02 n GLU 6 Cb 0.19 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.59 -0.09 3.49 9.09 -1.98 -2.11 114.58 122.39 1x02 h GLU 7 Ca 0.52 0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.85 1x02 h GLU 7 Cb 1.66 0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 28.89 1x02 h GLU 7 CO -0.28 -0.40 -0.50 1.96 0.05 0.00 0.00 179.01 179.85 1x02 h GLN 8 N -0.62 0.22 -0.99 1.06 1.08 0.61 -3.06 115.11 113.41 1x02 h GLN 8 Ca 0.03 -0.13 0.22 0.00 -1.45 0.00 0.00 58.65 57.32 1x02 h GLN 8 Cb 0.66 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.00 1x02 h GLN 8 CO -0.25 0.67 0.62 0.82 -0.95 0.00 0.00 178.83 179.75 1x02 h ILE 9 N 0.18 0.65 -0.79 2.54 1.08 -0.71 0.18 117.51 120.63 1x02 h ILE 9 Ca 0.01 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1x02 h ILE 9 Cb 0.95 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 1x02 h ILE 9 CO 0.08 0.11 0.43 0.00 -0.69 0.00 0.00 178.15 178.07 1x02 h ALA 10 N 1.64 1.26 0.08 1.87 0.00 -1.33 0.71 119.26 123.48 1x02 h ALA 10 Ca 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1x02 h ALA 10 Cb 1.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1x02 h ALA 10 CO -0.32 0.60 -0.04 0.93 0.00 0.00 0.00 179.25 180.42 1x02 h GLU 11 N 1.11 -0.10 0.00 0.00 4.39 -0.81 -1.87 114.58 117.30 1x02 h GLU 11 Ca 0.28 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 1x02 h GLU 11 Cb 0.03 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1x02 h GLU 11 CO -0.04 0.32 -0.11 0.74 -1.16 0.00 0.00 179.01 178.76 1x02 h PHE 12 N -0.55 0.00 0.24 4.33 -1.00 -1.21 -2.99 116.94 115.76 1x02 h PHE 12 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1x02 h PHE 12 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1x02 h PHE 12 CO 0.07 0.11 -0.11 -0.22 -1.61 0.00 0.00 178.31 176.54 1x02 h LYS 13 N 0.00 -0.31 -1.00 1.51 3.64 -0.75 -2.78 116.57 116.88 1x02 h LYS 13 Ca -0.00 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 1x02 h LYS 13 Cb 0.25 0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 31.98 1x02 h LYS 13 CO 0.01 -0.20 -0.36 0.39 -2.27 0.00 0.00 179.45 177.02 1x02 n GLU 14 N -4.10 -0.21 -0.00 1.90 -0.58 -0.71 0.18 120.64 117.11 1x02 n GLU 14 Ca -0.04 1.54 0.06 0.00 -0.42 0.00 0.00 57.16 58.30 1x02 n GLU 14 Cb 0.13 -2.29 0.46 0.00 -0.57 0.00 0.00 31.44 29.16 1x02 n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x02 h ALA 15 N 1.50 1.80 0.00 0.62 0.00 -1.64 0.41 119.26 121.94 1x02 h ALA 15 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1x02 h ALA 15 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x02 h ALA 15 CO -1.00 0.16 -0.30 0.34 0.00 0.00 0.00 179.25 178.44 1x02 n PHE 16 N -4.48 0.51 0.02 0.00 7.35 0.47 -3.77 117.46 117.57 1x02 n PHE 16 Ca 0.04 0.15 -0.18 0.00 -0.76 0.00 0.00 57.45 56.70 1x02 n PHE 16 Cb 0.13 -0.67 -0.14 0.00 0.35 0.00 0.00 39.48 39.15 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 0.36 -0.84 -2.13 0.02 0.27 -3.10 113.55 108.12 1x02 h SER 17 Ca 0.00 -0.68 0.01 0.00 -0.84 0.00 0.00 61.79 60.28 1x02 h SER 17 Cb 0.67 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1x02 h SER 17 CO 0.00 1.60 0.55 0.17 -1.14 0.00 0.00 176.83 178.01 1x02 h LEU 18 N 0.06 0.98 -0.02 5.07 8.10 -1.17 -2.82 115.31 125.51 1x02 h LEU 18 Ca -0.34 -0.03 -0.15 0.00 0.11 0.00 0.00 57.88 57.46 1x02 h LEU 18 Cb 2.04 -0.25 0.01 0.00 -0.44 0.00 0.00 40.66 42.02 1x02 h LEU 18 CO 0.12 0.72 -0.58 -0.26 -4.11 0.00 0.00 178.44 174.33 1x02 h PHE 19 N 1.15 0.62 -1.11 0.17 0.04 -1.71 -3.41 116.94 112.69 1x02 h PHE 19 Ca 0.31 -0.32 -0.32 0.00 2.80 0.00 0.00 57.97 60.43 1x02 h PHE 19 Cb -0.12 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1x02 h PHE 19 CO 0.00 1.13 0.89 0.34 -0.60 0.00 0.00 178.31 180.07 1x02 s ASP 20 N -6.72 4.91 -0.14 2.17 -1.08 -1.07 -4.70 116.67 110.04 1x02 s ASP 20 Ca -0.13 -0.11 -0.13 0.00 -0.52 0.00 0.00 52.55 51.66 1x02 s ASP 20 Cb 0.04 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.71 1x02 s ASP 20 CO 0.82 -2.83 0.38 0.11 0.52 0.00 0.00 175.17 174.17 1x02 h LYS 21 N 13.36 0.19 -0.43 4.34 1.79 -1.80 -3.38 116.57 130.64 1x02 h LYS 21 Ca -0.05 -0.33 0.05 0.00 -2.18 0.00 0.00 60.65 58.14 1x02 h LYS 21 Cb 1.07 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 1x02 h LYS 21 CO 1.18 1.16 0.18 0.38 -1.08 0.00 0.00 179.45 181.26 1x02 h ASP 22 N -0.32 0.23 -0.06 0.86 3.04 -1.93 -3.47 116.42 114.78 1x02 h ASP 22 Ca -0.37 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1x02 h ASP 22 Cb 1.77 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.06 1x02 h ASP 22 CO 0.00 0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.98 1x02 n GLY 23 N -1.24 1.15 0.41 7.15 0.00 -1.26 -5.04 105.19 106.37 1x02 n GLY 23 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.11 1.45 0.00 1.61 5.75 -1.26 -5.05 116.55 119.16 1x02 n ASP 24 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1x02 n ASP 24 Cb 0.03 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 2.06 0.70 3.20 6.12 0.00 -1.26 -5.12 105.19 110.90 1x02 n GLY 25 Ca -0.33 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.70 0.10 -0.46 2.61 -4.23 -1.26 -3.60 115.64 108.10 1x02 s THR 26 Ca 0.00 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1x02 s THR 26 Cb 0.00 -1.94 0.14 0.00 1.34 0.00 0.00 72.50 72.03 1x02 s THR 26 CO 0.00 -0.45 0.25 -0.63 -0.54 0.00 0.00 174.62 173.25 1x02 s ILE 27 N -4.01 1.59 0.57 2.99 1.01 0.49 -4.57 121.20 119.26 1x02 s ILE 27 Ca 0.21 -2.71 -0.00 0.00 0.00 0.00 0.00 60.65 58.15 1x02 s ILE 27 Cb 0.06 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.46 1x02 s ILE 27 CO 0.00 -0.89 0.81 0.42 0.00 0.00 0.00 174.94 175.28 1x02 s THR 28 N 0.21 2.70 0.29 2.92 -4.23 -1.26 -3.21 115.64 113.07 1x02 s THR 28 Ca 0.18 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1x02 s THR 28 Cb -0.24 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.87 1x02 s THR 28 CO -0.01 -0.03 1.66 0.71 -0.54 0.00 0.00 174.62 176.42 1x02 h THR 29 N -0.02 0.37 -0.63 3.99 1.35 -1.92 0.84 112.91 116.89 1x02 h THR 29 Ca -0.43 -0.10 0.15 0.00 -0.55 0.00 0.00 66.41 65.49 1x02 h THR 29 Cb 1.30 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1x02 h THR 29 CO 0.54 0.05 0.44 0.50 -0.25 0.00 0.00 175.52 176.80 1x02 h LYS 30 N 0.28 0.17 0.00 4.72 1.63 -1.96 0.59 116.57 122.00 1x02 h LYS 30 Ca 0.57 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1x02 h LYS 30 Cb 1.16 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1x02 h LYS 30 CO -0.61 0.11 -0.48 0.39 -3.45 0.00 0.00 179.45 175.42 1x02 n GLU 31 N -4.42 0.38 -0.24 1.90 1.02 0.26 -3.37 120.64 116.18 1x02 n GLU 31 Ca 0.12 0.42 0.22 0.00 -0.02 0.00 0.00 57.16 57.90 1x02 n GLU 31 Cb 0.58 -1.47 0.56 0.00 -0.02 0.00 0.00 31.44 31.09 1x02 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x02 h LEU 32 N -0.81 0.32 -0.09 -4.62 5.85 -0.59 0.47 115.31 115.84 1x02 h LEU 32 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1x02 h LEU 32 Cb 0.48 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1x02 h LEU 32 CO 0.00 0.12 -0.07 1.23 -0.34 0.00 0.00 178.44 179.38 1x02 h GLY 33 N 0.32 0.00 2.00 3.75 0.00 0.00 -1.46 103.07 107.68 1x02 h GLY 33 Ca 0.47 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.63 1x02 h GLY 33 CO -0.15 0.00 -0.82 0.00 0.00 0.00 0.00 176.54 175.57 1x02 h THR 34 N 0.00 1.57 0.07 4.70 1.03 -0.08 -2.95 112.91 117.24 1x02 h THR 34 Ca -0.00 -2.83 -0.37 0.00 -0.01 0.00 0.00 66.41 63.20 1x02 h THR 34 Cb 1.02 2.54 -0.04 0.00 -1.07 0.00 0.00 68.15 70.60 1x02 h THR 34 CO 0.01 0.80 -2.13 0.52 -0.01 0.00 0.00 175.52 174.71 1x02 n VAL 35 N -3.53 1.66 -0.27 0.00 0.31 -0.92 -3.99 118.33 111.58 1x02 n VAL 35 Ca -0.00 -0.66 -0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1x02 n VAL 35 Cb 0.80 -1.49 0.08 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.04 0.95 0.00 5.55 2.86 -1.37 -0.82 114.93 122.13 1x02 h MET 36 Ca -0.46 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.11 1x02 h MET 36 Cb 2.01 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 1x02 h MET 36 CO 0.03 0.63 -0.03 0.07 1.06 0.00 0.00 176.91 178.67 1x02 h ARG 37 N 0.98 0.00 -0.21 1.72 -0.00 -1.71 -2.49 114.38 112.67 1x02 h ARG 37 Ca 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.23 1x02 h ARG 37 Cb -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 1x02 h ARG 37 CO -0.09 0.03 -0.07 1.03 -0.00 0.00 0.00 179.97 180.86 1x02 h SER 38 N 0.00 0.30 0.20 0.08 0.87 -1.27 -2.97 113.55 110.76 1x02 h SER 38 Ca -0.00 -0.06 -0.33 0.00 -1.23 0.00 0.00 61.79 60.18 1x02 h SER 38 Cb 0.36 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1x02 h SER 38 CO 0.00 0.42 -1.54 -0.07 -0.53 0.00 0.00 176.83 175.11 1x02 h LEU 39 N 0.31 0.66 0.00 2.23 3.38 -1.48 -3.48 115.31 116.93 1x02 h LEU 39 Ca 0.07 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1x02 h LEU 39 Cb 0.33 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1x02 h LEU 39 CO 0.02 1.71 0.00 0.61 0.09 0.00 0.00 178.44 180.87 1x02 n GLY 40 N 1.78 0.22 0.31 0.83 0.00 -1.12 -5.09 105.19 102.12 1x02 n GLY 40 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 0.23 -3.56 1.61 1.13 -1.13 -5.02 117.38 110.63 1x02 n GLN 41 Ca 0.00 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 54.94 1x02 n GLN 41 Cb 0.00 -0.84 0.05 0.00 0.11 0.00 0.00 30.24 29.56 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x02 n ASN 42 N -3.49 -2.91 -4.77 1.08 4.13 -1.26 -4.94 115.26 103.10 1x02 n ASN 42 Ca -0.06 -0.79 -0.35 0.00 1.68 0.00 0.00 54.58 55.06 1x02 n ASN 42 Cb 0.22 -4.39 0.01 0.00 -1.54 0.00 0.00 39.78 34.08 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x02 s PRO 43 N -5.56 3.30 0.85 3.52 0.04 -1.26 -5.04 135.00 130.85 1x02 s PRO 43 Ca 0.15 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.66 1x02 s PRO 43 Cb -0.03 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1x02 s PRO 43 CO 0.79 -0.89 1.20 0.95 0.04 0.00 0.00 177.00 179.09 1x02 s THR 44 N -1.82 2.00 0.12 1.26 -4.23 -1.26 -4.72 115.64 106.98 1x02 s THR 44 Ca 0.72 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.95 1x02 s THR 44 Cb -0.24 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1x02 s THR 44 CO 0.28 0.00 1.60 -0.33 -0.54 0.00 0.00 174.62 175.63 1x02 h GLU 45 N -1.23 -0.50 -1.06 3.99 5.08 -1.98 0.24 114.58 119.12 1x02 h GLU 45 Ca -0.46 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.21 1x02 h GLU 45 Cb 1.31 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.57 1x02 h GLU 45 CO 0.60 -0.34 0.67 0.00 -1.00 0.00 0.00 179.01 178.95 1x02 h ALA 46 N 0.12 2.21 -0.00 3.43 0.00 -1.99 0.17 119.26 123.18 1x02 h ALA 46 Ca 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1x02 h ALA 46 Cb 0.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x02 h ALA 46 CO -0.30 -0.64 -0.09 0.93 0.00 0.00 0.00 179.25 179.15 1x02 h GLU 47 N 0.39 0.07 -0.25 0.00 4.39 -1.49 -2.65 114.58 115.04 1x02 h GLU 47 Ca 0.62 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.30 1x02 h GLU 47 Cb 1.56 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.18 1x02 h GLU 47 CO -0.34 0.81 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.22 1x02 h LEU 48 N -0.65 -0.17 -1.06 1.33 3.38 0.94 -0.29 115.31 118.80 1x02 h LEU 48 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x02 h LEU 48 Cb 0.84 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1x02 h LEU 48 CO 0.02 -0.05 0.58 1.56 0.09 0.00 0.00 178.44 180.64 1x02 h GLN 49 N 0.04 1.22 -0.49 1.13 1.08 -0.85 -0.44 115.11 116.79 1x02 h GLN 49 Ca 0.12 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1x02 h GLN 49 Cb 0.17 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1x02 h GLN 49 CO -0.23 0.83 0.19 -0.44 -0.95 0.00 0.00 178.83 178.23 1x02 h ASP 50 N 1.25 0.68 -0.08 1.46 5.19 -0.97 0.24 116.42 124.19 1x02 h ASP 50 Ca 0.33 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1x02 h ASP 50 Cb -0.11 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.22 1x02 h ASP 50 CO -0.07 0.67 -0.00 0.24 -3.12 0.00 0.00 179.24 176.96 1x02 h MET 51 N 0.66 0.15 -0.17 3.56 2.86 -0.64 -2.95 114.93 118.40 1x02 h MET 51 Ca 0.16 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1x02 h MET 51 Cb 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1x02 h MET 51 CO -0.01 0.41 0.07 0.82 1.06 0.00 0.00 176.91 179.26 1x02 h ILE 52 N -0.14 1.15 -0.71 -1.22 2.04 -1.02 -3.02 117.51 114.59 1x02 h ILE 52 Ca 0.02 -0.44 0.15 0.00 1.00 0.00 0.00 64.86 65.59 1x02 h ILE 52 Cb 0.35 1.13 -0.13 0.00 -0.74 0.00 0.00 36.82 37.42 1x02 h ILE 52 CO 0.00 0.14 -0.13 0.78 0.00 0.00 0.00 178.15 178.95 1x02 h ASN 53 N 0.13 -0.57 -0.84 1.72 2.35 -0.53 0.37 115.58 118.20 1x02 h ASN 53 Ca 0.06 0.21 0.11 0.00 -0.55 0.00 0.00 56.30 56.12 1x02 h ASN 53 Cb 0.16 0.41 -0.12 0.00 0.05 0.00 0.00 38.32 38.82 1x02 h ASN 53 CO -0.01 -0.22 -0.41 -0.62 -1.65 0.00 0.00 177.43 174.53 1x02 n GLU 54 N -5.44 -0.28 0.06 0.81 -0.58 -1.11 0.12 120.64 114.22 1x02 n GLU 54 Ca 0.10 1.29 -0.09 0.00 -0.42 0.00 0.00 57.16 58.04 1x02 n GLU 54 Cb 0.39 -1.90 -0.13 0.00 -0.57 0.00 0.00 31.44 29.23 1x02 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1x02 h VAL 55 N 0.00 1.56 0.00 2.62 2.07 -1.37 -3.46 116.25 117.67 1x02 h VAL 55 Ca 0.22 -3.26 -0.59 0.00 0.82 0.00 0.00 66.70 63.89 1x02 h VAL 55 Cb 0.43 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1x02 h VAL 55 CO -0.82 0.91 1.18 -0.67 0.02 0.00 0.00 177.57 178.20 1x02 n ASP 56 N -3.36 0.54 -0.04 0.57 2.03 0.12 -4.81 116.55 111.60 1x02 n ASP 56 Ca -0.04 0.47 -0.03 0.00 0.52 0.00 0.00 54.79 55.71 1x02 n ASP 56 Cb 0.97 -0.76 -0.01 0.00 -0.72 0.00 0.00 41.12 40.60 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 6.83 0.34 -0.32 -1.67 0.00 -1.26 -4.44 120.51 119.99 1x02 n ALA 57 Ca 0.48 -0.39 0.19 0.00 0.00 0.00 0.00 53.44 53.73 1x02 n ALA 57 Cb -0.02 0.01 0.39 0.00 0.00 0.00 0.00 19.45 19.83 1x02 n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1x02 h ASP 58 N -0.58 0.05 0.00 0.00 3.04 -1.91 -3.45 116.42 113.57 1x02 h ASP 58 Ca 0.00 0.23 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 1x02 h ASP 58 Cb 0.39 0.30 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 1x02 h ASP 58 CO 0.00 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 1x02 n GLY 59 N -1.36 0.60 0.71 7.15 0.00 -1.26 -5.05 105.19 105.97 1x02 n GLY 59 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1x02 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 60 N 0.00 0.97 0.00 1.61 6.94 -1.26 -5.07 115.26 118.45 1x02 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1x02 n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.28 1.23 3.03 4.83 0.00 -1.26 -5.10 105.19 110.20 1x02 n GLY 61 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N -1.44 -0.04 -0.36 2.61 -4.23 -1.26 -4.75 115.64 106.18 1x02 s THR 62 Ca 0.00 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.44 1x02 s THR 62 Cb 0.00 -0.35 0.01 0.00 1.34 0.00 0.00 72.50 73.49 1x02 s THR 62 CO 0.00 0.06 0.73 -0.63 -0.54 0.00 0.00 174.62 174.24 1x02 s ILE 63 N 1.23 4.80 0.44 2.99 1.01 -1.20 -4.76 121.20 125.71 1x02 s ILE 63 Ca -0.09 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 1x02 s ILE 63 Cb -0.10 -4.16 0.09 0.00 0.01 0.00 0.00 42.46 38.30 1x02 s ILE 63 CO -0.08 -0.38 0.61 0.47 0.00 0.00 0.00 174.94 175.56 1x02 n ASP 64 N 6.26 0.69 -0.11 3.58 8.00 -1.26 -0.38 116.55 133.34 1x02 n ASP 64 Ca 0.01 -1.61 -0.06 0.00 0.71 0.00 0.00 54.79 53.84 1x02 n ASP 64 Cb 0.48 -0.40 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 -0.63 0.15 -0.28 1.24 3.57 -1.97 0.15 116.94 119.18 1x02 h PHE 65 Ca -0.20 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 1x02 h PHE 65 Cb 0.71 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1x02 h PHE 65 CO 0.00 0.04 -0.28 -1.00 -2.23 0.00 0.00 178.31 174.84 1x02 h PRO 66 N 0.22 0.68 -0.20 6.41 0.13 -1.94 -3.25 132.00 134.05 1x02 h PRO 66 Ca 0.17 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1x02 h PRO 66 Cb 0.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1x02 h PRO 66 CO -0.21 0.97 0.10 0.93 -0.23 0.00 0.00 178.00 179.55 1x02 h GLU 67 N 0.41 0.29 -0.96 0.86 5.08 -1.86 -2.75 114.58 115.65 1x02 h GLU 67 Ca 0.04 -0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1x02 h GLU 67 Cb 0.84 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.90 1x02 h GLU 67 CO 0.07 0.30 0.48 0.35 -1.00 0.00 0.00 179.01 179.22 1x02 h PHE 68 N 0.20 0.79 -1.04 4.33 3.04 -0.74 0.46 116.94 123.98 1x02 h PHE 68 Ca 0.07 0.04 0.26 0.00 3.98 0.00 0.00 57.97 62.32 1x02 h PHE 68 Cb 0.11 -0.19 -0.10 0.00 2.56 0.00 0.00 35.95 38.32 1x02 h PHE 68 CO -0.03 -0.12 0.66 -0.07 -2.02 0.00 0.00 178.31 176.73 1x02 h LEU 69 N 0.36 0.49 -0.30 0.59 3.38 -1.52 0.80 115.31 119.12 1x02 h LEU 69 Ca 0.66 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.72 1x02 h LEU 69 Cb 1.39 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1x02 h LEU 69 CO -0.58 0.09 0.18 0.74 0.09 0.00 0.00 178.44 178.96 1x02 h THR 70 N 0.43 1.11 -0.30 0.22 2.02 -0.19 -2.90 112.91 113.31 1x02 h THR 70 Ca 0.61 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1x02 h THR 70 Cb 1.45 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1x02 h THR 70 CO -0.33 0.11 0.08 -0.03 0.37 0.00 0.00 175.52 175.72 1x02 h MET 71 N 0.38 0.20 -1.01 6.66 1.85 -0.89 -1.89 114.93 120.23 1x02 h MET 71 Ca 0.11 -0.01 0.25 0.00 -0.61 0.00 0.00 59.70 59.44 1x02 h MET 71 Cb 0.02 -0.04 -0.12 0.00 0.43 0.00 0.00 31.60 31.89 1x02 h MET 71 CO -0.02 0.13 0.60 0.52 -0.40 0.00 0.00 176.91 177.74 1x02 h MET 72 N 0.20 0.55 0.27 0.39 2.07 -1.26 0.97 114.93 118.13 1x02 h MET 72 Ca 0.14 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.72 1x02 h MET 72 Cb 0.13 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1x02 h MET 72 CO -0.16 0.36 -0.14 0.00 1.07 0.00 0.00 176.91 178.04 1x02 h ALA 73 N 1.73 -0.38 0.00 6.32 0.00 -1.21 1.91 119.26 127.63 1x02 h ALA 73 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 73 Cb 1.25 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1x02 h ALA 73 CO -0.47 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.07 1x02 h ARG 74 N -0.38 0.00 0.00 0.00 3.08 -1.00 -3.00 114.38 113.08 1x02 h ARG 74 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x02 h ARG 74 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1x02 h ARG 74 CO 0.05 0.00 -1.25 1.17 -1.07 0.00 0.00 179.97 178.87 1x02 n LYS 75 N -2.80 0.44 0.07 0.04 3.00 0.32 -3.92 118.16 115.32 1x02 n LYS 75 Ca 0.03 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.31 58.23 1x02 n LYS 75 Cb 0.41 -1.63 -0.11 0.00 0.00 0.00 0.00 35.03 33.70 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 0.08 -0.03 1.64 2.86 0.31 -3.28 114.93 116.51 1x02 h MET 76 Ca 0.00 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.33 1x02 h MET 76 Cb 0.85 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1x02 h MET 76 CO 0.00 1.04 -0.78 1.57 1.06 0.00 0.00 176.91 179.81 1x02 h LYS 77 N 0.02 0.26 -1.22 1.72 5.09 -1.70 -3.17 116.57 117.58 1x02 h LYS 77 Ca -0.04 -0.24 0.35 0.00 0.09 0.00 0.00 60.65 60.81 1x02 h LYS 77 Cb 1.79 0.06 -0.07 0.00 0.10 0.00 0.00 32.23 34.10 1x02 h LYS 77 CO 0.15 0.92 0.85 -0.44 -2.09 0.00 0.00 179.45 178.83 1x02 h ASP 78 N 0.17 0.14 0.37 7.07 3.32 -1.68 0.90 116.42 126.71 1x02 h ASP 78 Ca -0.03 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1x02 h ASP 78 Cb 1.36 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1x02 h ASP 78 CO 0.12 0.00 -0.58 0.00 -1.72 0.00 0.00 179.24 177.07 1x02 h THR 79 N 0.11 1.38 -1.53 0.35 1.03 -1.72 -3.13 112.91 109.41 1x02 h THR 79 Ca 0.63 -1.93 0.47 0.00 -0.01 0.00 0.00 66.41 65.57 1x02 h THR 79 Cb 2.22 1.97 -0.10 0.00 -1.07 0.00 0.00 68.15 71.17 1x02 h THR 79 CO -0.13 0.57 1.05 0.44 -0.01 0.00 0.00 175.52 177.44 1x02 h ASP 80 N 0.16 0.13 -0.61 0.00 5.19 0.70 -1.03 116.42 120.96 1x02 h ASP 80 Ca -0.00 0.07 0.21 0.00 -0.62 0.00 0.00 57.03 56.68 1x02 h ASP 80 Cb 1.06 0.06 -0.11 0.00 0.18 0.00 0.00 39.33 40.52 1x02 h ASP 80 CO 0.09 -0.08 0.15 -1.20 -3.12 0.00 0.00 179.24 175.07 1x02 n SER 81 N -4.35 0.05 -0.24 6.45 7.64 -1.18 0.12 113.62 122.11 1x02 n SER 81 Ca 0.38 1.03 0.01 0.00 1.01 0.00 0.00 58.87 61.30 1x02 n SER 81 Cb 1.60 -0.43 0.05 0.00 -1.01 0.00 0.00 64.21 64.42 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 -4.62 -0.11 -0.08 1.43 2.13 -0.39 0.20 120.64 119.20 1x02 n GLU 82 Ca 0.18 0.98 -0.09 0.00 0.66 0.00 0.00 57.16 58.90 1x02 n GLU 82 Cb 0.61 -1.46 -0.02 0.00 0.27 0.00 0.00 31.44 30.84 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 0.38 -1.68 5.31 4.39 -0.59 -2.32 114.58 120.07 1x02 h GLU 83 Ca 0.25 -0.02 0.49 0.00 0.34 0.00 0.00 59.36 60.42 1x02 h GLU 83 Cb 0.41 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1x02 h GLU 83 CO -0.64 0.25 1.21 0.39 -1.16 0.00 0.00 179.01 179.06 1x02 n GLU 84 N -4.89 0.00 -0.01 2.33 -0.58 0.54 0.17 120.64 118.20 1x02 n GLU 84 Ca -0.01 0.92 -0.20 0.00 -0.42 0.00 0.00 57.16 57.45 1x02 n GLU 84 Cb 0.03 -2.13 -0.13 0.00 -0.57 0.00 0.00 31.44 28.64 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 1.24 -0.86 -3.67 2.04 -1.33 -3.34 117.51 111.59 1x02 h ILE 85 Ca 0.80 -2.38 0.11 0.00 1.00 0.00 0.00 64.86 64.38 1x02 h ILE 85 Cb 3.22 2.86 -0.13 0.00 -0.74 0.00 0.00 36.82 42.02 1x02 h ILE 85 CO -0.01 0.63 -0.47 0.03 0.00 0.00 0.00 178.15 178.33 1x02 h ARG 86 N -0.55 -0.07 -1.01 2.37 -0.00 0.18 0.62 114.38 115.92 1x02 h ARG 86 Ca -0.22 0.01 0.17 0.00 -0.50 0.00 0.00 59.98 59.43 1x02 h ARG 86 Cb 1.53 0.02 -0.10 0.00 0.00 0.00 0.00 29.97 31.42 1x02 h ARG 86 CO 0.03 -0.05 0.62 0.93 0.00 0.00 0.00 179.97 181.49 1x02 h GLU 87 N -0.08 0.82 -0.46 0.04 4.39 -1.67 -0.76 114.58 116.85 1x02 h GLU 87 Ca 0.23 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1x02 h GLU 87 Cb 0.53 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1x02 h GLU 87 CO -0.88 0.54 0.25 0.00 -1.16 0.00 0.00 179.01 177.77 1x02 h ALA 88 N 1.61 0.59 -1.01 3.43 0.00 0.06 -2.56 119.26 121.39 1x02 h ALA 88 Ca 0.55 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 88 Cb 0.76 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1x02 h ALA 88 CO -0.34 0.11 0.64 0.35 0.00 0.00 0.00 179.25 180.01 1x02 h PHE 89 N 0.61 1.17 0.16 0.00 3.57 0.28 -2.32 116.94 120.40 1x02 h PHE 89 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1x02 h PHE 89 Cb 0.05 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1x02 h PHE 89 CO -0.02 0.52 -0.07 0.00 -2.23 0.00 0.00 178.31 176.50 1x02 h ARG 90 N 1.07 -0.20 -0.83 1.11 3.08 -1.09 -2.66 114.38 114.85 1x02 h ARG 90 Ca 0.48 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.75 1x02 h ARG 90 Cb 0.37 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.33 1x02 h ARG 90 CO -0.23 -0.08 0.18 0.28 -1.07 0.00 0.00 179.97 179.05 1x02 h VAL 91 N -0.27 0.36 -0.83 2.04 2.07 -1.13 0.27 116.25 118.76 1x02 h VAL 91 Ca -0.02 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1x02 h VAL 91 Cb 0.21 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1x02 h VAL 91 CO 0.04 0.04 0.46 -0.26 0.02 0.00 0.00 177.57 177.86 1x02 h PHE 92 N 0.21 1.13 -0.99 1.57 0.04 -1.29 -3.34 116.94 114.27 1x02 h PHE 92 Ca 0.50 -0.03 -0.64 0.00 2.80 0.00 0.00 57.97 60.61 1x02 h PHE 92 Cb 0.96 -0.36 -0.09 0.00 2.20 0.00 0.00 35.95 38.65 1x02 h PHE 92 CO -0.29 0.79 1.84 0.34 -0.60 0.00 0.00 178.31 180.39 1x02 s ASP 93 N -6.14 6.66 0.03 2.17 -1.08 0.96 -4.08 116.67 115.18 1x02 s ASP 93 Ca -0.13 -1.94 -0.07 0.00 -0.52 0.00 0.00 52.55 49.90 1x02 s ASP 93 Cb 0.16 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1x02 s ASP 93 CO 0.81 -1.35 1.11 0.11 0.52 0.00 0.00 175.17 176.38 1x02 h LYS 94 N 8.71 -0.07 -0.97 4.34 1.57 -1.73 -0.72 116.57 127.70 1x02 h LYS 94 Ca 0.32 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.27 1x02 h LYS 94 Cb 0.94 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.17 1x02 h LYS 94 CO 1.44 -0.05 0.58 0.38 -0.57 0.00 0.00 179.45 181.24 1x02 h ASP 95 N -0.07 0.78 -0.88 0.86 2.03 -1.92 -3.46 116.42 113.76 1x02 h ASP 95 Ca 0.02 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1x02 h ASP 95 Cb 0.12 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1x02 h ASP 95 CO -0.13 0.34 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 1x02 n GLY 96 N -1.33 0.96 0.13 7.15 0.00 -0.28 -5.00 105.19 106.82 1x02 n GLY 96 Ca 0.21 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 1.33 1.98 0.00 1.61 6.94 -1.26 -5.04 115.26 120.82 1x02 n ASN 97 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 1x02 n ASN 97 Cb 0.44 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 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 1.78 2.00 3.85 4.83 0.00 -1.26 -5.12 105.19 111.26 1x02 n GLY 98 Ca -0.47 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 3.64 -0.45 1.61 1.51 -1.26 -2.76 117.35 119.64 1x02 s TYR 99 Ca 0.00 0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 56.72 1x02 s TYR 99 Cb 0.00 -2.13 0.11 0.00 -0.11 0.00 0.00 41.96 39.84 1x02 s TYR 99 CO 0.00 0.65 0.30 0.42 -1.11 0.00 0.00 175.55 175.81 1x02 s ILE 100 N -0.91 3.93 1.08 2.71 1.01 -1.00 -4.86 121.20 123.15 1x02 s ILE 100 Ca 0.19 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.87 1x02 s ILE 100 Cb -0.14 -3.60 0.23 0.00 0.01 0.00 0.00 42.46 38.96 1x02 s ILE 100 CO 0.08 -0.73 1.06 -0.94 0.00 0.00 0.00 174.94 174.41 1x02 s SER 101 N 2.38 1.74 0.22 3.58 1.04 -1.26 -0.45 113.70 120.95 1x02 s SER 101 Ca 0.06 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 58.02 1x02 s SER 101 Cb -0.25 -2.30 0.29 0.00 0.10 0.00 0.00 66.02 63.86 1x02 s SER 101 CO -0.02 -3.74 1.80 0.00 0.98 0.00 0.00 173.24 172.26 1x02 h ALA 102 N -2.31 0.96 0.23 5.32 0.00 -1.96 -2.41 119.26 119.08 1x02 h ALA 102 Ca -0.56 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1x02 h ALA 102 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x02 h ALA 102 CO 0.50 0.03 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 1x02 h ALA 103 N 1.39 -0.30 -0.24 0.00 0.00 -1.92 0.27 119.26 118.45 1x02 h ALA 103 Ca 0.33 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1x02 h ALA 103 Cb 0.26 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1x02 h ALA 103 CO -0.22 -0.62 -0.42 0.93 0.00 0.00 0.00 179.25 178.93 1x02 h GLU 104 N -0.41 -0.34 -0.32 0.00 5.08 -1.79 0.18 114.58 116.97 1x02 h GLU 104 Ca -0.03 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x02 h GLU 104 Cb 0.32 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1x02 h GLU 104 CO 0.05 -0.22 0.18 1.25 -1.00 0.00 0.00 179.01 179.26 1x02 h LEU 105 N -0.35 0.40 -0.33 1.33 6.46 -1.47 -2.68 115.31 118.67 1x02 h LEU 105 Ca 0.04 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1x02 h LEU 105 Cb 0.47 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 1x02 h LEU 105 CO -0.41 0.37 -0.44 -0.09 -0.62 0.00 0.00 178.44 177.25 1x02 h ARG 106 N 0.40 -0.37 0.02 1.25 2.43 0.21 0.13 114.38 118.45 1x02 h ARG 106 Ca 0.11 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1x02 h ARG 106 Cb 0.06 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1x02 h ARG 106 CO -0.02 -0.24 -0.36 1.25 -1.51 0.00 0.00 179.97 179.09 1x02 h HIS 107 N -0.38 -1.01 -0.24 2.20 2.76 -0.59 0.19 115.15 118.08 1x02 h HIS 107 Ca 0.12 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1x02 h HIS 107 Cb 0.60 0.44 -0.07 0.00 1.55 0.00 0.00 27.41 29.93 1x02 h HIS 107 CO -0.60 -0.45 -0.34 0.28 -1.30 0.00 0.00 177.93 175.52 1x02 h VAL 108 N -0.53 0.24 -0.78 5.26 2.07 -1.05 -1.12 116.25 120.33 1x02 h VAL 108 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1x02 h VAL 108 Cb 0.61 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1x02 h VAL 108 CO -0.28 0.00 0.46 0.24 0.02 0.00 0.00 177.57 178.02 1x02 h MET 109 N -0.35 0.81 -0.61 1.57 2.07 -0.40 -2.33 114.93 115.68 1x02 h MET 109 Ca 0.12 -0.05 0.13 0.00 -2.07 0.00 0.00 59.70 57.83 1x02 h MET 109 Cb 0.55 -0.18 -0.11 0.00 -1.87 0.00 0.00 31.60 30.00 1x02 h MET 109 CO -0.43 0.54 -0.02 1.15 1.07 0.00 0.00 176.91 179.21 1x02 h THR 110 N 0.83 0.48 -0.95 2.22 2.02 0.63 0.19 112.91 118.33 1x02 h THR 110 Ca 0.35 -0.03 0.29 0.00 0.77 0.00 0.00 66.41 67.79 1x02 h THR 110 Cb 0.22 0.37 -0.15 0.00 -1.74 0.00 0.00 68.15 66.85 1x02 h THR 110 CO -0.19 0.02 0.40 0.78 0.37 0.00 0.00 175.52 176.90 1x02 h ASN 111 N 0.10 0.23 -0.75 4.18 4.21 -0.93 0.59 115.58 123.20 1x02 h ASN 111 Ca 0.32 0.21 0.27 0.00 1.21 0.00 0.00 56.30 58.30 1x02 h ASN 111 Cb 0.51 0.23 -0.14 0.00 -1.12 0.00 0.00 38.32 37.80 1x02 h ASN 111 CO -0.54 -0.19 0.24 0.18 -1.29 0.00 0.00 177.43 175.83 1x02 n LEU 112 N -5.17 0.12 0.00 1.61 4.77 0.06 -4.75 117.00 113.63 1x02 n LEU 112 Ca 0.28 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 1x02 n LEU 112 Cb 0.88 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1x02 n LEU 112 CO 0.06 -1.36 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 1x02 n GLY 113 N -1.27 2.75 3.64 -0.72 0.00 0.20 -5.13 105.19 104.65 1x02 n GLY 113 Ca 0.24 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 0.34 -0.32 1.61 2.02 -1.26 -5.01 118.70 116.08 1x02 s GLU 114 Ca 0.00 0.77 -0.08 0.00 0.02 0.00 0.00 54.97 55.68 1x02 s GLU 114 Cb 0.00 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.54 1x02 s GLU 114 CO 0.00 -2.86 0.12 0.15 0.02 0.00 0.00 175.26 172.70 1x02 s LYS 115 N -4.79 3.00 0.11 1.61 3.01 -1.26 -4.77 119.74 116.65 1x02 s LYS 115 Ca 0.66 -0.93 0.06 0.00 -1.01 0.00 0.00 55.97 54.75 1x02 s LYS 115 Cb -0.20 -3.49 -0.04 0.00 -1.01 0.00 0.00 37.83 33.09 1x02 s LYS 115 CO 0.59 -0.52 -0.16 -0.51 0.51 0.00 0.00 175.35 175.26 1x02 s LEU 116 N 1.51 2.35 0.24 3.17 1.43 -1.26 -5.07 118.68 121.05 1x02 s LEU 116 Ca 0.02 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1x02 s LEU 116 Cb -0.18 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1x02 s LEU 116 CO 0.04 -0.07 0.03 0.42 0.23 0.00 0.00 176.35 177.00 1x02 s THR 117 N -1.67 0.87 0.42 5.49 -4.23 -1.26 -4.97 115.64 110.28 1x02 s THR 117 Ca 0.06 -2.01 0.33 0.00 -1.18 0.00 0.00 61.69 58.89 1x02 s THR 117 Cb -0.08 -2.43 0.51 0.00 1.34 0.00 0.00 72.50 71.84 1x02 s THR 117 CO 0.03 -0.23 1.37 -0.67 -0.54 0.00 0.00 174.62 174.58 1x02 n ASP 118 N -0.43 0.13 0.15 3.99 2.03 -1.26 0.71 116.55 121.87 1x02 n ASP 118 Ca -0.04 1.11 -0.12 0.00 0.52 0.00 0.00 54.79 56.26 1x02 n ASP 118 Cb 0.65 -0.55 -0.07 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.42 -0.28 -0.67 4.39 -1.99 -0.13 114.58 115.49 1x02 h GLU 119 Ca 0.79 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.58 1x02 h GLU 119 Cb 2.74 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 31.42 1x02 h GLU 119 CO -0.28 -0.09 -0.17 0.93 -1.16 0.00 0.00 179.01 178.24 1x02 h GLU 120 N -0.88 -0.14 -0.54 2.33 4.39 -0.09 -1.95 114.58 117.69 1x02 h GLU 120 Ca -0.04 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1x02 h GLU 120 Cb 0.52 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1x02 h GLU 120 CO 0.07 -0.09 0.26 0.28 -1.16 0.00 0.00 179.01 178.37 1x02 h VAL 121 N -0.15 1.20 -0.90 3.13 2.07 -1.38 -2.82 116.25 117.40 1x02 h VAL 121 Ca 0.15 -0.56 0.25 0.00 0.82 0.00 0.00 66.70 67.36 1x02 h VAL 121 Cb 0.37 0.57 -0.15 0.00 -1.52 0.00 0.00 31.29 30.56 1x02 h VAL 121 CO -0.37 0.22 0.19 0.44 0.02 0.00 0.00 177.57 178.08 1x02 h ASP 122 N 0.73 -0.11 -0.25 0.57 3.32 -0.23 1.11 116.42 121.56 1x02 h ASP 122 Ca 0.19 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1x02 h ASP 122 Cb 0.12 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1x02 h ASP 122 CO -0.02 -0.22 0.16 -0.33 -1.72 0.00 0.00 179.24 177.11 1x02 h GLU 123 N 0.14 0.35 0.13 3.56 5.08 -1.22 -2.45 114.58 120.16 1x02 h GLU 123 Ca 0.57 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1x02 h GLU 123 Cb 1.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1x02 h GLU 123 CO -0.72 0.25 -0.06 1.98 -1.00 0.00 0.00 179.01 179.46 1x02 h MET 124 N 0.36 -0.16 -0.99 2.33 4.05 0.12 -3.21 114.93 117.42 1x02 h MET 124 Ca 0.10 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.78 1x02 h MET 124 Cb -0.01 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 30.75 1x02 h MET 124 CO -0.02 0.31 0.66 0.82 0.23 0.00 0.00 176.91 178.91 1x02 h ILE 125 N -0.78 0.57 -0.07 1.77 1.08 -1.02 0.76 117.51 119.83 1x02 h ILE 125 Ca -0.02 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1x02 h ILE 125 Cb 0.55 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1x02 h ILE 125 CO 0.03 0.06 0.00 -2.11 -0.69 0.00 0.00 178.15 175.44 1x02 n ARG 126 N -4.49 1.44 0.00 2.37 1.85 -0.94 -0.82 116.66 116.06 1x02 n ARG 126 Ca 0.22 -0.36 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 1x02 n ARG 126 Cb 0.86 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 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 0.08 2.64 -0.04 2.89 2.13 0.26 -4.85 120.64 123.77 1x02 n GLU 127 Ca 0.03 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.81 1x02 n GLU 127 Cb 0.37 -0.95 -0.05 0.00 0.27 0.00 0.00 31.44 31.09 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 -1.98 1.83 -1.56 4.31 0.00 -1.14 -4.95 120.51 117.02 1x02 n ALA 128 Ca 0.00 -0.42 -0.46 0.00 0.00 0.00 0.00 53.44 52.56 1x02 n ALA 128 Cb 0.45 0.16 -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 -2.37 2.97 -0.05 0.00 -0.08 0.00 -4.73 116.55 112.29 1x02 n ASP 129 Ca -0.12 0.35 -0.03 0.00 -1.51 0.00 0.00 54.79 53.48 1x02 n ASP 129 Cb 0.70 -1.45 -0.01 0.00 2.34 0.00 0.00 41.12 42.70 1x02 n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1x02 h ILE 130 N 6.95 0.00 -0.99 5.18 1.08 -1.86 -3.38 117.51 124.49 1x02 h ILE 130 Ca -0.38 -0.74 0.23 0.00 -0.39 0.00 0.00 64.86 63.58 1x02 h ILE 130 Cb 1.27 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.90 1x02 h ILE 130 CO 0.98 0.00 0.57 -2.24 -0.69 0.00 0.00 178.15 176.77 1x02 h ASP 131 N -0.74 0.66 -1.45 1.72 3.04 -1.93 -3.46 116.42 114.26 1x02 h ASP 131 Ca 0.00 0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1x02 h ASP 131 Cb 0.30 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 1x02 h ASP 131 CO 0.00 0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.95 1x02 n GLY 132 N -1.32 0.53 0.01 7.15 0.00 -1.26 -5.01 105.19 105.30 1x02 n GLY 132 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.72 1.97 -0.31 1.61 5.68 -1.26 -4.98 116.55 118.54 1x02 n ASP 133 Ca 0.00 -1.95 -0.03 0.00 -0.50 0.00 0.00 54.79 52.31 1x02 n ASP 133 Cb 0.33 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.46 0.26 3.20 6.12 0.00 -1.26 -5.05 105.19 108.01 1x02 n GLY 134 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -4.10 1.11 -0.43 1.61 -0.21 -1.26 -3.43 119.66 112.95 1x02 s GLN 135 Ca 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 55.36 53.84 1x02 s GLN 135 Cb 0.00 0.12 0.15 0.00 1.00 0.00 0.00 33.01 34.28 1x02 s GLN 135 CO 0.00 -0.30 0.27 0.08 -2.12 0.00 0.00 175.29 173.23 1x02 s VAL 136 N -4.00 0.91 1.13 1.09 1.01 0.40 -4.48 120.40 116.45 1x02 s VAL 136 Ca 0.31 -2.46 -0.16 0.00 0.00 0.00 0.00 61.98 59.67 1x02 s VAL 136 Cb 0.07 -1.63 0.25 0.00 0.00 0.00 0.00 36.38 35.07 1x02 s VAL 136 CO 0.07 -1.01 1.10 0.54 0.00 0.00 0.00 175.10 175.80 1x02 s ASN 137 N 0.36 1.55 0.15 3.32 2.20 -1.26 -2.39 114.94 118.87 1x02 s ASN 137 Ca 0.22 0.86 -0.25 0.00 -0.94 0.00 0.00 52.86 52.75 1x02 s ASN 137 Cb -0.16 -1.29 0.02 0.00 -2.00 0.00 0.00 41.25 37.82 1x02 s ASN 137 CO -0.05 -3.76 1.59 0.22 -2.94 0.00 0.00 177.10 172.16 1x02 h TYR 138 N -2.33 -1.02 0.10 1.54 3.20 -1.92 0.57 116.97 117.11 1x02 h TYR 138 Ca -0.49 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1x02 h TYR 138 Cb 1.31 0.50 -0.05 0.00 1.54 0.00 0.00 36.73 40.03 1x02 h TYR 138 CO -1.11 -0.41 -0.52 1.49 -1.64 0.00 0.00 178.16 175.97 1x02 h GLU 139 N -0.32 -0.69 -0.98 1.82 4.81 -1.91 0.31 114.58 117.61 1x02 h GLU 139 Ca 0.14 0.05 0.23 0.00 -0.13 0.00 0.00 59.36 59.65 1x02 h GLU 139 Cb 0.56 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 1x02 h GLU 139 CO -0.50 -0.46 0.64 0.93 -0.73 0.00 0.00 179.01 178.88 1x02 h GLU 140 N -0.72 0.40 -0.08 1.92 5.08 -1.73 -0.25 114.58 119.20 1x02 h GLU 140 Ca -0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1x02 h GLU 140 Cb 0.73 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1x02 h GLU 140 CO -0.29 0.27 -0.11 0.35 -1.00 0.00 0.00 179.01 178.23 1x02 h PHE 141 N 0.42 0.26 0.14 4.33 3.57 0.68 -2.76 116.94 123.57 1x02 h PHE 141 Ca 0.54 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1x02 h PHE 141 Cb 1.33 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1x02 h PHE 141 CO -0.00 0.68 -0.22 0.28 -2.23 0.00 0.00 178.31 176.81 1x02 h VAL 142 N -0.24 0.50 -0.39 1.41 2.07 0.12 -0.70 116.25 119.03 1x02 h VAL 142 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1x02 h VAL 142 Cb 0.65 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1x02 h VAL 142 CO 0.02 0.00 -0.12 1.56 0.02 0.00 0.00 177.57 179.06 1x02 h GLN 143 N -0.43 -0.02 -0.82 1.57 1.08 -1.27 0.12 115.11 115.33 1x02 h GLN 143 Ca 0.02 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1x02 h GLN 143 Cb 0.44 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.82 1x02 h GLN 143 CO -0.11 -0.02 0.50 1.98 -0.95 0.00 0.00 178.83 180.24 1x02 h MET 144 N -0.03 0.91 -0.67 1.46 4.05 -1.19 0.80 114.93 120.26 1x02 h MET 144 Ca 0.19 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1x02 h MET 144 Cb 0.31 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 1x02 h MET 144 CO -0.41 0.60 0.15 0.52 0.23 0.00 0.00 176.91 178.00 1x02 h MET 145 N 0.94 1.09 0.00 0.39 2.86 0.18 -2.63 114.93 117.75 1x02 h MET 145 Ca 0.35 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1x02 h MET 145 Cb 0.13 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1x02 h MET 145 CO -0.16 0.97 -0.04 1.79 1.06 0.00 0.00 176.91 180.54 1x02 h THR 146 N 1.01 0.03 -4.22 2.22 1.35 -0.07 -3.46 112.91 109.78 1x02 h THR 146 Ca 0.21 -1.04 -0.49 0.00 -0.55 0.00 0.00 66.41 64.54 1x02 h THR 146 Cb 0.38 2.01 0.12 0.00 -1.73 0.00 0.00 68.15 68.94 1x02 h THR 146 CO 0.00 0.02 0.31 0.00 -0.25 0.00 0.00 175.52 175.60 1x02 s ALA 147 N -3.20 2.01 -0.08 6.62 0.00 0.27 -5.07 121.76 122.31 1x02 s ALA 147 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1x02 s ALA 147 Cb 0.05 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1x02 s ALA 147 CO 0.67 -1.94 0.52 1.63 0.00 0.00 0.00 175.76 176.65