#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 0.55 -1.43 0.00 8.00 -1.26 -4.10 116.55 118.31 1x02 n ASP 2 Ca 0.00 0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.66 1x02 n ASP 2 Cb 0.00 0.64 0.07 0.00 -0.02 0.00 0.00 41.12 41.80 1x02 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x02 n GLN 3 N -2.75 1.47 -3.72 -1.24 1.13 -1.26 -4.65 117.38 106.37 1x02 n GLN 3 Ca -0.13 -1.08 -0.30 0.00 -1.94 0.00 0.00 57.00 53.56 1x02 n GLN 3 Cb 0.84 -1.43 -0.14 0.00 0.11 0.00 0.00 30.24 29.62 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1x02 s LEU 4 N -1.18 2.30 0.00 1.08 1.43 -1.26 -4.60 118.68 116.46 1x02 s LEU 4 Ca 0.20 -1.88 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 1x02 s LEU 4 Cb 0.17 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1x02 s LEU 4 CO 0.04 -0.38 0.00 0.41 0.23 0.00 0.00 176.35 176.65 1x02 n THR 5 N 4.53 0.00 0.00 5.49 -1.04 -1.26 -4.90 114.28 117.10 1x02 n THR 5 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1x02 n THR 5 Cb 0.40 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 -2.16 2.03 0.04 -2.82 1.02 -1.26 -4.31 120.64 113.17 1x02 n GLU 6 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1x02 n GLU 6 Cb 0.00 -0.84 -0.10 0.00 -0.02 0.00 0.00 31.44 30.49 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1x02 h GLU 7 N 0.00 0.69 0.00 3.49 9.09 -1.95 -2.91 114.58 123.00 1x02 h GLU 7 Ca 0.00 -0.73 -0.26 0.00 0.05 0.00 0.00 59.36 58.42 1x02 h GLU 7 Cb 0.06 0.20 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 1x02 h GLU 7 CO 0.00 1.31 -1.44 1.04 0.05 0.00 0.00 179.01 179.97 1x02 n GLN 8 N -3.85 0.57 -0.26 1.06 1.13 -1.26 -3.83 117.38 110.92 1x02 n GLN 8 Ca -0.11 0.53 0.06 0.00 -1.94 0.00 0.00 57.00 55.54 1x02 n GLN 8 Cb 0.87 -1.71 0.20 0.00 0.11 0.00 0.00 30.24 29.71 1x02 n GLN 8 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1x02 h ILE 9 N -1.00 0.66 -0.81 5.09 5.03 -1.75 0.52 117.51 125.25 1x02 h ILE 9 Ca -0.39 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 64.19 1x02 h ILE 9 Cb 1.33 0.15 -0.04 0.00 -3.03 0.00 0.00 36.82 35.23 1x02 h ILE 9 CO -0.24 0.09 0.54 0.00 -0.68 0.00 0.00 178.15 177.85 1x02 h ALA 10 N 1.55 1.02 0.16 1.87 0.00 -1.70 0.20 119.26 122.36 1x02 h ALA 10 Ca 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1x02 h ALA 10 Cb 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x02 h ALA 10 CO -0.40 0.43 -0.08 0.93 0.00 0.00 0.00 179.25 180.14 1x02 h GLU 11 N 1.09 -0.21 -0.08 0.00 4.39 -1.17 -2.58 114.58 116.03 1x02 h GLU 11 Ca 0.30 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1x02 h GLU 11 Cb -0.13 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1x02 h GLU 11 CO -0.06 0.12 -0.02 0.74 -1.16 0.00 0.00 179.01 178.62 1x02 h PHE 12 N -0.55 0.12 0.72 4.33 0.04 -0.84 -2.98 116.94 117.78 1x02 h PHE 12 Ca -0.02 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1x02 h PHE 12 Cb 0.42 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.54 1x02 h PHE 12 CO 0.03 0.15 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.32 1x02 h LYS 13 N 0.12 -0.94 -0.94 1.51 3.64 -0.48 -1.81 116.57 117.67 1x02 h LYS 13 Ca 0.03 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.75 1x02 h LYS 13 Cb 0.13 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 32.01 1x02 h LYS 13 CO 0.00 -0.62 0.38 0.93 -2.27 0.00 0.00 179.45 177.87 1x02 h GLU 14 N -1.10 0.25 -0.09 1.90 4.39 -1.36 1.25 114.58 119.82 1x02 h GLU 14 Ca -0.10 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 1x02 h GLU 14 Cb 0.74 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1x02 h GLU 14 CO 0.16 0.16 -0.27 0.00 -1.16 0.00 0.00 179.01 177.91 1x02 h ALA 15 N 1.82 1.39 -0.00 3.43 0.00 -1.42 -2.11 119.26 122.37 1x02 h ALA 15 Ca 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1x02 h ALA 15 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1x02 h ALA 15 CO -0.64 0.43 -0.55 0.34 0.00 0.00 0.00 179.25 178.83 1x02 n PHE 16 N -4.17 0.00 0.05 0.00 7.35 0.36 -3.98 117.46 117.06 1x02 n PHE 16 Ca -0.01 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.50 1x02 n PHE 16 Cb 0.36 -0.20 -0.14 0.00 0.35 0.00 0.00 39.48 39.84 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 0.14 0.40 -0.54 -2.13 0.02 0.12 -3.18 113.55 108.38 1x02 h SER 17 Ca 0.00 -0.65 -0.06 0.00 -0.84 0.00 0.00 61.79 60.25 1x02 h SER 17 Cb 0.50 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1x02 h SER 17 CO 0.00 1.55 0.11 0.17 -1.14 0.00 0.00 176.83 177.53 1x02 h LEU 18 N 0.07 0.84 -0.20 5.07 8.10 -1.54 -3.10 115.31 124.55 1x02 h LEU 18 Ca -0.30 -0.25 -0.02 0.00 0.11 0.00 0.00 57.88 57.42 1x02 h LEU 18 Cb 2.04 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 42.03 1x02 h LEU 18 CO 0.14 0.87 0.04 -0.26 -4.11 0.00 0.00 178.44 175.12 1x02 h PHE 19 N 0.77 0.34 -1.77 0.17 0.04 -1.71 -3.39 116.94 111.39 1x02 h PHE 19 Ca 0.17 -0.04 -0.48 0.00 2.80 0.00 0.00 57.97 60.42 1x02 h PHE 19 Cb 0.37 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 1x02 h PHE 19 CO 0.03 0.46 1.20 0.34 -0.60 0.00 0.00 178.31 179.73 1x02 s ASP 20 N -5.74 5.47 -0.08 2.17 2.15 -1.17 -4.75 116.67 114.72 1x02 s ASP 20 Ca -0.14 -0.08 -0.22 0.00 0.43 0.00 0.00 52.55 52.54 1x02 s ASP 20 Cb 0.07 -2.54 -0.30 0.00 -0.30 0.00 0.00 42.92 39.85 1x02 s ASP 20 CO 0.72 -2.30 0.80 0.11 -0.17 0.00 0.00 175.17 174.33 1x02 h LYS 21 N 13.14 0.24 -0.19 4.34 1.79 -1.79 -3.36 116.57 130.74 1x02 h LYS 21 Ca -0.17 -0.40 -0.01 0.00 -2.18 0.00 0.00 60.65 57.88 1x02 h LYS 21 Cb 1.11 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1x02 h LYS 21 CO 1.24 1.19 0.07 0.38 -1.08 0.00 0.00 179.45 181.25 1x02 h ASP 22 N -0.48 0.26 -0.18 0.86 2.03 -1.94 -3.48 116.42 113.50 1x02 h ASP 22 Ca -0.15 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1x02 h ASP 22 Cb 1.56 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1x02 h ASP 22 CO 0.10 0.38 0.00 0.61 -1.03 0.00 0.00 179.24 179.30 1x02 n GLY 23 N -0.64 0.94 0.15 7.15 0.00 -1.26 -5.04 105.19 106.49 1x02 n GLY 23 Ca -0.04 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 0.20 1.95 0.00 1.61 5.75 -1.26 -5.03 116.55 119.77 1x02 n ASP 24 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1x02 n ASP 24 Cb 0.08 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 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 1.64 0.57 3.39 6.12 0.00 -1.26 -5.15 105.19 110.50 1x02 n GLY 25 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.57 0.01 -0.37 2.61 -4.23 -1.26 -4.15 115.64 107.69 1x02 s THR 26 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1x02 s THR 26 Cb 0.00 -2.25 0.13 0.00 1.34 0.00 0.00 72.50 71.72 1x02 s THR 26 CO 0.00 -0.06 0.19 -0.63 -0.54 0.00 0.00 174.62 173.58 1x02 s ILE 27 N -4.06 0.69 0.66 2.99 1.01 -0.45 -4.60 121.20 117.44 1x02 s ILE 27 Ca 0.28 -1.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.00 1x02 s ILE 27 Cb 0.03 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1x02 s ILE 27 CO 0.08 -0.87 1.01 0.42 0.00 0.00 0.00 174.94 175.58 1x02 s THR 28 N 1.04 3.27 0.57 2.92 -4.23 -1.26 -3.75 115.64 114.19 1x02 s THR 28 Ca 0.15 0.13 0.32 0.00 -1.18 0.00 0.00 61.69 61.12 1x02 s THR 28 Cb -0.22 -3.36 0.46 0.00 1.34 0.00 0.00 72.50 70.72 1x02 s THR 28 CO -0.08 -0.42 1.81 0.71 -0.54 0.00 0.00 174.62 176.09 1x02 h THR 29 N -0.47 0.38 -0.39 3.99 1.35 -1.97 0.53 112.91 116.33 1x02 h THR 29 Ca -0.45 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.28 1x02 h THR 29 Cb 1.27 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1x02 h THR 29 CO 0.62 0.00 -0.29 0.50 -0.25 0.00 0.00 175.52 176.10 1x02 h LYS 30 N 0.00 0.83 0.11 4.72 1.63 -1.97 0.23 116.57 122.13 1x02 h LYS 30 Ca 0.40 -0.38 -0.31 0.00 -0.85 0.00 0.00 60.65 59.51 1x02 h LYS 30 Cb 1.83 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 1x02 h LYS 30 CO -0.00 1.01 -1.61 0.93 -3.45 0.00 0.00 179.45 176.33 1x02 h GLU 31 N 0.71 0.24 0.20 1.90 5.08 -0.44 -3.27 114.58 118.99 1x02 h GLU 31 Ca 0.08 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1x02 h GLU 31 Cb 0.84 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1x02 h GLU 31 CO 0.07 1.09 -0.10 1.25 -1.00 0.00 0.00 179.01 180.33 1x02 h LEU 32 N 0.07 -0.23 -0.46 1.33 5.85 -0.54 -3.13 115.31 118.20 1x02 h LEU 32 Ca -0.27 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1x02 h LEU 32 Cb 2.02 0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1x02 h LEU 32 CO 0.15 0.30 0.05 0.61 -0.34 0.00 0.00 178.44 179.21 1x02 n GLY 33 N 0.55 -0.58 0.07 3.75 0.00 0.81 -0.79 105.19 109.00 1x02 n GLY 33 Ca -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1x02 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x02 h THR 34 N 0.00 1.56 0.03 2.61 1.03 -1.59 -3.17 112.91 113.37 1x02 h THR 34 Ca 0.00 -3.20 -0.35 0.00 -0.01 0.00 0.00 66.41 62.85 1x02 h THR 34 Cb 0.10 2.77 -0.05 0.00 -1.07 0.00 0.00 68.15 69.90 1x02 h THR 34 CO 0.00 0.89 -1.98 0.52 -0.01 0.00 0.00 175.52 174.94 1x02 n VAL 35 N -3.33 1.58 -0.25 0.00 0.31 0.03 -4.16 118.33 112.51 1x02 n VAL 35 Ca 0.00 -0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.04 1x02 n VAL 35 Cb 0.90 -1.84 0.18 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.63 0.39 0.00 5.55 2.86 -1.50 0.52 114.93 122.12 1x02 h MET 36 Ca -0.51 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1x02 h MET 36 Cb 1.64 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 1x02 h MET 36 CO -0.20 0.26 -0.01 0.07 1.06 0.00 0.00 176.91 178.10 1x02 h ARG 37 N 0.41 0.00 -0.39 1.72 -0.00 -0.88 0.33 114.38 115.56 1x02 h ARG 37 Ca 0.41 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 60.26 1x02 h ARG 37 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.60 1x02 h ARG 37 CO -0.42 0.01 -0.30 1.03 -0.00 0.00 0.00 179.97 180.29 1x02 h SER 38 N 0.00 0.89 0.60 0.08 0.87 -0.11 -2.71 113.55 113.17 1x02 h SER 38 Ca -0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1x02 h SER 38 Cb 0.12 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1x02 h SER 38 CO 0.00 1.12 -0.15 0.18 -0.53 0.00 0.00 176.83 177.45 1x02 n LEU 39 N -4.08 0.30 0.00 2.23 4.77 -0.74 -4.87 117.00 114.61 1x02 n LEU 39 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1x02 n LEU 39 Cb 0.49 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1x02 n LEU 39 CO 0.46 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1x02 n GLY 40 N 1.39 1.88 3.05 -0.72 0.00 -1.02 -5.04 105.19 104.74 1x02 n GLY 40 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1x02 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 41 N -0.35 1.78 -0.79 1.61 -0.21 0.03 -4.95 119.66 116.79 1x02 s GLN 41 Ca 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 55.36 53.69 1x02 s GLN 41 Cb 0.00 -3.18 0.33 0.00 1.00 0.00 0.00 33.01 31.16 1x02 s GLN 41 CO 0.00 -0.85 1.34 -1.71 -2.12 0.00 0.00 175.29 171.95 1x02 n ASN 42 N 4.36 5.78 -4.77 5.90 2.85 -1.26 -0.70 115.26 127.41 1x02 n ASN 42 Ca -0.02 -3.68 -0.33 0.00 -0.11 0.00 0.00 54.58 50.44 1x02 n ASN 42 Cb 0.42 -0.84 0.05 0.00 1.24 0.00 0.00 39.78 40.64 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 -3.83 2.82 0.40 1.20 0.04 -1.26 -5.04 135.00 129.33 1x02 s PRO 43 Ca 0.44 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1x02 s PRO 43 Cb 0.23 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x02 s PRO 43 CO -0.13 -1.24 0.67 0.95 0.04 0.00 0.00 177.00 177.30 1x02 s THR 44 N -2.32 4.97 0.12 1.26 -4.23 -1.26 -4.77 115.64 109.41 1x02 s THR 44 Ca 0.67 0.03 -0.24 0.00 -1.18 0.00 0.00 61.69 60.98 1x02 s THR 44 Cb -0.21 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1x02 s THR 44 CO 0.41 -0.64 1.23 -0.62 -0.54 0.00 0.00 174.62 174.47 1x02 n GLU 45 N -1.78 -0.34 -0.30 3.99 1.02 -1.26 0.54 120.64 122.52 1x02 n GLU 45 Ca -0.01 1.21 0.03 0.00 -0.02 0.00 0.00 57.16 58.37 1x02 n GLU 45 Cb 0.55 -1.78 0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1x02 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x02 h ALA 46 N 0.32 0.52 0.47 0.62 0.00 -1.99 0.26 119.26 119.46 1x02 h ALA 46 Ca 0.12 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1x02 h ALA 46 Cb 0.31 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x02 h ALA 46 CO -0.72 -0.42 -0.22 0.93 0.00 0.00 0.00 179.25 178.82 1x02 h GLU 47 N -0.01 -0.61 -0.39 0.00 4.39 -0.27 -2.14 114.58 115.56 1x02 h GLU 47 Ca 0.40 0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.22 1x02 h GLU 47 Cb 0.62 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 1x02 h GLU 47 CO -0.87 -0.33 -0.30 -0.07 -1.16 0.00 0.00 179.01 176.28 1x02 h LEU 48 N -0.79 -0.99 -0.01 1.33 3.38 0.53 -1.54 115.31 117.22 1x02 h LEU 48 Ca -0.06 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1x02 h LEU 48 Cb 0.56 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1x02 h LEU 48 CO 0.11 -0.31 -0.37 1.56 0.09 0.00 0.00 178.44 179.52 1x02 h GLN 49 N -0.24 -0.50 -0.98 1.13 1.08 -0.54 0.14 115.11 115.20 1x02 h GLN 49 Ca 0.18 0.03 0.27 0.00 -1.45 0.00 0.00 58.65 57.67 1x02 h GLN 49 Cb 0.52 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 27.93 1x02 h GLN 49 CO -0.52 -0.33 0.55 -0.44 -0.95 0.00 0.00 178.83 177.14 1x02 h ASP 50 N -0.52 0.56 -0.04 1.46 3.32 -0.69 0.37 116.42 120.87 1x02 h ASP 50 Ca 0.06 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1x02 h ASP 50 Cb 0.61 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1x02 h ASP 50 CO -0.30 0.01 -0.07 0.24 -1.72 0.00 0.00 179.24 177.40 1x02 h MET 51 N 0.47 0.13 -0.64 3.56 2.86 -0.24 -3.09 114.93 117.98 1x02 h MET 51 Ca 0.66 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 58.24 1x02 h MET 51 Cb 1.34 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.97 1x02 h MET 51 CO -0.53 0.64 0.42 0.82 1.06 0.00 0.00 176.91 179.33 1x02 h ILE 52 N -0.37 1.11 -0.82 -1.22 2.04 0.11 -2.08 117.51 116.29 1x02 h ILE 52 Ca 0.00 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1x02 h ILE 52 Cb 0.63 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1x02 h ILE 52 CO 0.02 0.15 0.54 0.78 0.00 0.00 0.00 178.15 179.63 1x02 h ASN 53 N 0.80 0.92 -0.58 1.72 2.35 -0.35 0.47 115.58 120.90 1x02 h ASN 53 Ca 0.25 -0.02 0.09 0.00 -0.55 0.00 0.00 56.30 56.07 1x02 h ASN 53 Cb 0.01 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 1x02 h ASN 53 CO -0.06 0.66 0.20 -0.33 -1.65 0.00 0.00 177.43 176.24 1x02 h GLU 54 N 1.08 0.36 0.07 0.81 4.39 -1.29 -2.10 114.58 117.91 1x02 h GLU 54 Ca 0.31 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.74 1x02 h GLU 54 Cb -0.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1x02 h GLU 54 CO -0.08 0.24 -1.13 0.28 -1.16 0.00 0.00 179.01 177.16 1x02 h VAL 55 N 0.37 1.60 -0.86 3.13 2.07 -1.44 -3.45 116.25 117.67 1x02 h VAL 55 Ca 0.29 -3.24 -0.73 0.00 0.82 0.00 0.00 66.70 63.84 1x02 h VAL 55 Cb 0.36 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1x02 h VAL 55 CO -0.31 0.93 1.22 -0.67 0.02 0.00 0.00 177.57 178.77 1x02 n ASP 56 N -3.44 1.71 -0.01 0.57 2.03 0.16 -4.80 116.55 112.77 1x02 n ASP 56 Ca -0.04 0.70 -0.03 0.00 0.52 0.00 0.00 54.79 55.94 1x02 n ASP 56 Cb 0.98 -1.10 -0.01 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 7.68 2.07 -0.25 -1.67 0.00 -1.26 -4.67 120.51 122.40 1x02 n ALA 57 Ca 0.41 -0.30 0.21 0.00 0.00 0.00 0.00 53.44 53.77 1x02 n ALA 57 Cb 0.10 0.13 0.39 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.65 0.17 0.00 0.00 5.75 -1.26 -4.75 116.55 112.81 1x02 n ASP 58 Ca -0.05 1.28 0.00 0.00 -0.01 0.00 0.00 54.79 56.01 1x02 n ASP 58 Cb 0.18 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1x02 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 59 N -1.25 0.90 0.64 6.12 0.00 -1.26 -5.04 105.19 105.30 1x02 n GLY 59 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 1.49 0.00 1.61 6.94 -1.26 -5.08 115.26 118.96 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 3.06 4.16 3.81 4.83 0.00 -1.26 -5.12 105.19 114.68 1x02 n GLY 61 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 4.98 0.27 2.61 -4.23 -1.26 -4.69 115.64 113.33 1x02 s THR 62 Ca 0.00 0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 61.16 1x02 s THR 62 Cb 0.00 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 1x02 s THR 62 CO 0.00 0.54 1.36 -0.63 -0.54 0.00 0.00 174.62 175.35 1x02 s ILE 63 N -0.86 2.78 0.27 2.99 1.01 -1.25 -4.78 121.20 121.37 1x02 s ILE 63 Ca 0.25 0.70 0.03 0.00 0.00 0.00 0.00 60.65 61.64 1x02 s ILE 63 Cb -0.17 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1x02 s ILE 63 CO 0.14 0.13 0.27 0.47 0.00 0.00 0.00 174.94 175.95 1x02 n ASP 64 N 1.74 1.51 -0.02 3.58 8.00 -1.26 -1.34 116.55 128.75 1x02 n ASP 64 Ca 0.04 -1.83 -0.11 0.00 0.71 0.00 0.00 54.79 53.60 1x02 n ASP 64 Cb 0.41 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.37 0.19 -0.32 1.24 3.04 -1.97 0.25 116.94 119.75 1x02 h PHE 65 Ca -0.15 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.66 1x02 h PHE 65 Cb 0.60 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1x02 h PHE 65 CO 0.00 0.20 -0.32 -1.00 -2.02 0.00 0.00 178.31 175.17 1x02 h PRO 66 N 0.13 0.79 -0.32 6.41 0.13 -1.96 -3.19 132.00 133.99 1x02 h PRO 66 Ca 0.05 -0.42 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1x02 h PRO 66 Cb 0.07 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1x02 h PRO 66 CO -0.01 1.05 -0.11 0.93 -0.23 0.00 0.00 178.00 179.63 1x02 h GLU 67 N 0.56 0.64 -1.00 0.86 5.08 -1.87 -3.04 114.58 115.81 1x02 h GLU 67 Ca 0.05 -0.26 0.23 0.00 -1.00 0.00 0.00 59.36 58.38 1x02 h GLU 67 Cb 0.90 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.00 1x02 h GLU 67 CO 0.08 0.83 0.60 0.35 -1.00 0.00 0.00 179.01 179.87 1x02 h PHE 68 N 0.41 1.03 -1.09 4.33 3.57 -0.52 0.16 116.94 124.84 1x02 h PHE 68 Ca 0.08 0.04 0.30 0.00 3.53 0.00 0.00 57.97 61.91 1x02 h PHE 68 Cb 0.62 -0.30 -0.11 0.00 2.79 0.00 0.00 35.95 38.95 1x02 h PHE 68 CO 0.05 0.12 0.69 -0.07 -2.23 0.00 0.00 178.31 176.87 1x02 h LEU 69 N 0.64 0.43 -0.32 0.59 3.38 -1.52 0.21 115.31 118.72 1x02 h LEU 69 Ca 0.62 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.66 1x02 h LEU 69 Cb 1.11 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1x02 h LEU 69 CO -0.45 0.02 0.06 0.74 0.09 0.00 0.00 178.44 178.90 1x02 h THR 70 N 0.34 1.23 -0.36 0.22 2.02 -0.82 -2.90 112.91 112.65 1x02 h THR 70 Ca 0.65 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1x02 h THR 70 Cb 1.70 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1x02 h THR 70 CO -0.36 0.27 0.09 -0.03 0.37 0.00 0.00 175.52 175.86 1x02 h MET 71 N 0.36 0.22 -0.94 6.66 1.85 -0.63 -1.57 114.93 120.88 1x02 h MET 71 Ca 0.10 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.31 1x02 h MET 71 Cb 0.34 -0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.24 1x02 h MET 71 CO 0.01 0.15 0.60 0.52 -0.40 0.00 0.00 176.91 177.78 1x02 h MET 72 N 0.23 0.82 -0.56 0.39 2.07 -1.35 0.55 114.93 117.07 1x02 h MET 72 Ca 0.17 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.73 1x02 h MET 72 Cb 0.17 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.69 1x02 h MET 72 CO -0.20 0.54 0.27 0.00 1.07 0.00 0.00 176.91 178.59 1x02 h ALA 73 N 1.57 0.73 -0.61 6.32 0.00 -1.09 0.12 119.26 126.30 1x02 h ALA 73 Ca 0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1x02 h ALA 73 Cb 0.60 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1x02 h ALA 73 CO -0.24 0.29 0.09 2.89 0.00 0.00 0.00 179.25 182.29 1x02 n ARG 74 N -4.55 4.35 0.00 0.00 -4.01 -0.46 -4.21 116.66 107.77 1x02 n ARG 74 Ca 0.03 -3.13 0.00 0.00 -1.04 0.00 0.00 57.85 53.71 1x02 n ARG 74 Cb 0.12 -2.22 0.00 0.00 -3.04 0.00 0.00 32.46 27.32 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1x02 n LYS 75 N 0.25 2.63 -0.08 2.89 3.00 0.18 -4.70 118.16 122.34 1x02 n LYS 75 Ca 0.32 0.00 0.25 0.00 -0.00 0.00 0.00 58.31 58.88 1x02 n LYS 75 Cb 1.25 -0.85 0.72 0.00 0.00 0.00 0.00 35.03 36.14 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 0.00 0.00 1.64 2.86 -0.94 0.81 114.93 119.30 1x02 h MET 76 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1x02 h MET 76 Cb 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1x02 h MET 76 CO 0.00 0.00 -0.38 1.57 1.06 0.00 0.00 176.91 179.16 1x02 h LYS 77 N 0.00 0.00 -0.72 1.72 5.09 -1.84 -3.31 116.57 117.51 1x02 h LYS 77 Ca 0.34 0.00 0.16 0.00 0.09 0.00 0.00 60.65 61.25 1x02 h LYS 77 Cb 1.50 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 33.71 1x02 h LYS 77 CO -0.00 0.11 0.07 0.38 -2.09 0.00 0.00 179.45 177.92 1x02 h ASP 78 N 0.00 -0.21 -0.63 7.07 2.03 0.39 0.37 116.42 125.44 1x02 h ASP 78 Ca -0.01 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1x02 h ASP 78 Cb 1.11 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 1x02 h ASP 78 CO 0.02 -0.12 0.00 0.41 -1.03 0.00 0.00 179.24 178.51 1x02 n THR 79 N -5.27 1.48 -0.44 1.15 -1.04 -1.25 -4.50 114.28 104.40 1x02 n THR 79 Ca 0.13 -1.04 0.38 0.00 -2.04 0.00 0.00 64.05 61.48 1x02 n THR 79 Cb 0.45 0.20 0.71 0.00 -1.82 0.00 0.00 70.33 69.87 1x02 n THR 79 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1x02 h ASP 80 N 3.88 0.12 -1.97 8.00 2.03 -0.33 0.72 116.42 128.88 1x02 h ASP 80 Ca 0.00 0.04 0.57 0.00 -0.73 0.00 0.00 57.03 56.92 1x02 h ASP 80 Cb 1.24 0.03 -0.08 0.00 -0.83 0.00 0.00 39.33 39.69 1x02 h ASP 80 CO 0.16 -0.03 1.42 -1.20 -1.03 0.00 0.00 179.24 178.55 1x02 n SER 81 N -4.31 0.00 -0.30 4.15 7.64 -1.26 -1.49 113.62 118.06 1x02 n SER 81 Ca 0.33 0.99 -0.06 0.00 1.01 0.00 0.00 58.87 61.13 1x02 n SER 81 Cb 1.42 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 64.08 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 -3.90 -0.28 0.08 1.43 2.13 0.24 0.21 120.64 120.56 1x02 n GLU 82 Ca 0.44 1.10 -0.12 0.00 0.66 0.00 0.00 57.16 59.24 1x02 n GLU 82 Cb 2.01 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 32.04 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 -0.49 -0.89 5.31 5.08 -1.54 -0.05 114.58 122.01 1x02 h GLU 83 Ca 0.15 0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.80 1x02 h GLU 83 Cb 0.33 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1x02 h GLU 83 CO -0.69 -0.33 1.16 0.93 -1.00 0.00 0.00 179.01 179.08 1x02 h GLU 84 N -0.51 0.00 0.14 2.33 4.39 -0.40 1.25 114.58 121.78 1x02 h GLU 84 Ca 0.05 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.47 1x02 h GLU 84 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1x02 h GLU 84 CO -0.24 0.00 -1.37 0.82 -1.16 0.00 0.00 179.01 177.06 1x02 h ILE 85 N 0.00 1.10 -0.43 3.13 1.08 -0.59 -3.31 117.51 118.49 1x02 h ILE 85 Ca 0.42 -2.45 0.06 0.00 -0.39 0.00 0.00 64.86 62.50 1x02 h ILE 85 Cb 2.73 2.81 -0.09 0.00 -3.07 0.00 0.00 36.82 39.21 1x02 h ILE 85 CO -0.00 0.73 -0.51 0.03 -0.69 0.00 0.00 178.15 177.71 1x02 h ARG 86 N -0.24 -0.35 -0.93 2.37 -0.00 0.19 0.22 114.38 115.64 1x02 h ARG 86 Ca -0.28 0.02 0.15 0.00 -0.50 0.00 0.00 59.98 59.37 1x02 h ARG 86 Cb 1.81 0.08 -0.08 0.00 0.00 0.00 0.00 29.97 31.78 1x02 h ARG 86 CO 0.10 -0.23 0.59 0.93 0.00 0.00 0.00 179.97 181.36 1x02 h GLU 87 N -0.36 0.72 -0.52 0.04 4.39 -1.70 -0.83 114.58 116.32 1x02 h GLU 87 Ca 0.10 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1x02 h GLU 87 Cb 0.59 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1x02 h GLU 87 CO -0.60 0.48 0.13 0.00 -1.16 0.00 0.00 179.01 177.85 1x02 h ALA 88 N 1.59 0.68 -0.63 3.43 0.00 -0.79 -2.67 119.26 120.87 1x02 h ALA 88 Ca 0.48 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1x02 h ALA 88 Cb 0.72 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1x02 h ALA 88 CO -0.24 0.37 0.42 0.35 0.00 0.00 0.00 179.25 180.16 1x02 h PHE 89 N 0.72 0.61 -0.59 0.00 3.57 0.66 -1.38 116.94 120.52 1x02 h PHE 89 Ca 0.16 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1x02 h PHE 89 Cb 0.33 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1x02 h PHE 89 CO 0.02 0.32 -0.02 0.00 -2.23 0.00 0.00 178.31 176.40 1x02 h ARG 90 N 0.59 1.05 0.37 1.11 3.08 -1.13 -1.96 114.38 117.50 1x02 h ARG 90 Ca 0.28 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1x02 h ARG 90 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1x02 h ARG 90 CO -0.09 1.04 -0.20 0.28 -1.07 0.00 0.00 179.97 179.93 1x02 h VAL 91 N 0.96 0.58 -0.43 2.04 2.07 -1.09 -3.00 116.25 117.38 1x02 h VAL 91 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 1x02 h VAL 91 Cb 0.57 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1x02 h VAL 91 CO 0.03 0.00 0.25 -0.26 0.02 0.00 0.00 177.57 177.61 1x02 h PHE 92 N -0.54 0.46 -0.56 1.57 -1.00 -1.47 -3.34 116.94 112.06 1x02 h PHE 92 Ca -0.05 0.02 -0.32 0.00 2.81 0.00 0.00 57.97 60.43 1x02 h PHE 92 Cb 0.43 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 1x02 h PHE 92 CO -0.07 0.26 0.95 0.34 -1.61 0.00 0.00 178.31 178.18 1x02 s ASP 93 N -5.51 5.08 0.04 2.17 2.15 -0.74 -4.38 116.67 115.47 1x02 s ASP 93 Ca -0.13 -1.31 -0.25 0.00 0.43 0.00 0.00 52.55 51.30 1x02 s ASP 93 Cb 0.12 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 40.03 1x02 s ASP 93 CO 0.73 -2.95 1.33 0.11 -0.17 0.00 0.00 175.17 174.21 1x02 h LYS 94 N 10.29 -0.85 -0.84 4.34 1.57 -1.77 -3.08 116.57 126.23 1x02 h LYS 94 Ca 0.17 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.15 1x02 h LYS 94 Cb 0.96 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.37 1x02 h LYS 94 CO 1.22 -0.57 0.43 0.38 -0.57 0.00 0.00 179.45 180.34 1x02 h ASP 95 N -0.91 0.53 -0.67 0.86 3.04 -1.93 -3.46 116.42 113.87 1x02 h ASP 95 Ca -0.09 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1x02 h ASP 95 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 1x02 h ASP 95 CO 0.15 0.23 0.00 0.61 -2.04 0.00 0.00 179.24 178.19 1x02 n GLY 96 N -1.32 0.96 0.18 7.15 0.00 -1.17 -5.01 105.19 105.98 1x02 n GLY 96 Ca 0.16 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 1.14 2.12 0.00 1.61 6.94 -1.26 -5.05 115.26 120.75 1x02 n ASN 97 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 1x02 n ASN 97 Cb 0.37 -0.43 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 2.23 2.56 3.78 4.83 0.00 -1.26 -5.12 105.19 112.20 1x02 n GLY 98 Ca -0.38 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 3.56 -0.59 1.61 1.51 -1.26 -3.08 117.35 119.10 1x02 s TYR 99 Ca 0.00 0.71 -0.15 0.00 -1.01 0.00 0.00 57.07 56.62 1x02 s TYR 99 Cb 0.00 -2.28 0.15 0.00 -0.11 0.00 0.00 41.96 39.72 1x02 s TYR 99 CO 0.00 0.42 0.53 0.42 -1.11 0.00 0.00 175.55 175.81 1x02 s ILE 100 N -0.17 5.14 1.18 2.71 1.01 -1.04 -4.87 121.20 125.16 1x02 s ILE 100 Ca 0.19 -1.74 -0.14 0.00 0.00 0.00 0.00 60.65 58.96 1x02 s ILE 100 Cb -0.14 -4.28 0.27 0.00 0.01 0.00 0.00 42.46 38.32 1x02 s ILE 100 CO 0.07 -0.89 0.85 -1.54 0.00 0.00 0.00 174.94 173.43 1x02 n SER 101 N 4.94 -1.94 -0.00 3.58 3.41 -1.26 -2.07 113.62 120.27 1x02 n SER 101 Ca -0.08 -0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1x02 n SER 101 Cb 0.41 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.11 1x02 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x02 h ALA 102 N -2.65 0.11 0.26 7.33 0.00 -1.98 -2.88 119.26 119.45 1x02 h ALA 102 Ca -0.62 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x02 h ALA 102 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1x02 h ALA 102 CO 0.48 -0.44 -0.20 0.00 0.00 0.00 0.00 179.25 179.09 1x02 h ALA 103 N 1.08 -0.45 -0.81 0.00 0.00 -1.94 0.28 119.26 117.42 1x02 h ALA 103 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1x02 h ALA 103 Cb 0.04 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1x02 h ALA 103 CO -0.07 -0.77 -0.51 0.93 0.00 0.00 0.00 179.25 178.84 1x02 h GLU 104 N -0.47 -0.04 -0.28 0.00 5.08 -1.87 -0.27 114.58 116.74 1x02 h GLU 104 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1x02 h GLU 104 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x02 h GLU 104 CO -0.01 -0.02 0.03 1.25 -1.00 0.00 0.00 179.01 179.26 1x02 h LEU 105 N -0.04 0.46 -0.96 1.33 6.46 -1.43 -3.01 115.31 118.12 1x02 h LEU 105 Ca 0.13 -0.28 0.30 0.00 -0.12 0.00 0.00 57.88 57.91 1x02 h LEU 105 Cb 0.37 -0.12 -0.17 0.00 -0.73 0.00 0.00 40.66 40.01 1x02 h LEU 105 CO -0.78 0.63 0.22 -0.09 -0.62 0.00 0.00 178.44 177.80 1x02 h ARG 106 N 0.28 0.07 0.19 1.25 2.43 0.12 0.25 114.38 118.96 1x02 h ARG 106 Ca 0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1x02 h ARG 106 Cb 0.37 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1x02 h ARG 106 CO 0.01 0.04 -0.09 1.25 -1.51 0.00 0.00 179.97 179.67 1x02 h HIS 107 N 0.07 -0.24 -0.49 2.20 2.76 -0.99 -2.68 115.15 115.78 1x02 h HIS 107 Ca 0.65 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.90 1x02 h HIS 107 Cb 1.46 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 30.43 1x02 h HIS 107 CO -0.30 0.04 0.06 0.28 -1.30 0.00 0.00 177.93 176.71 1x02 h VAL 108 N -0.52 0.69 -0.23 5.26 2.07 -0.59 -2.18 116.25 120.75 1x02 h VAL 108 Ca -0.03 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1x02 h VAL 108 Cb 0.39 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1x02 h VAL 108 CO 0.04 0.03 -0.17 0.24 0.02 0.00 0.00 177.57 177.74 1x02 h MET 109 N 0.19 -0.16 -0.97 1.57 2.07 -0.81 -2.41 114.93 114.40 1x02 h MET 109 Ca 0.24 0.01 0.16 0.00 -2.07 0.00 0.00 59.70 58.04 1x02 h MET 109 Cb 0.34 0.04 -0.16 0.00 -1.87 0.00 0.00 31.60 29.95 1x02 h MET 109 CO -0.35 -0.11 -0.37 1.15 1.07 0.00 0.00 176.91 178.30 1x02 h THR 110 N -0.17 0.01 -0.99 2.22 2.02 -1.04 0.50 112.91 115.47 1x02 h THR 110 Ca 0.13 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.62 1x02 h THR 110 Cb 0.36 0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 66.61 1x02 h THR 110 CO -0.33 0.00 0.19 0.78 0.37 0.00 0.00 175.52 176.54 1x02 h ASN 111 N -0.01 -0.21 -0.79 4.18 2.35 -1.37 0.29 115.58 120.02 1x02 h ASN 111 Ca 0.35 0.27 0.31 0.00 -0.55 0.00 0.00 56.30 56.68 1x02 h ASN 111 Cb 0.61 0.41 -0.12 0.00 0.05 0.00 0.00 38.32 39.26 1x02 h ASN 111 CO -0.97 -0.36 0.45 0.18 -1.65 0.00 0.00 177.43 175.07 1x02 n LEU 112 N -5.40 0.22 0.00 1.61 4.77 0.17 -4.66 117.00 113.72 1x02 n LEU 112 Ca 0.27 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.39 1x02 n LEU 112 Cb 0.91 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1x02 n LEU 112 CO -0.04 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 1x02 n GLY 113 N -1.23 1.60 3.19 -0.72 0.00 0.10 -5.15 105.19 102.98 1x02 n GLY 113 Ca 0.28 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 -0.07 1.08 -0.48 1.61 2.02 -1.17 -5.12 118.70 116.56 1x02 s GLU 114 Ca 0.00 -1.52 -0.13 0.00 0.02 0.00 0.00 54.97 53.34 1x02 s GLU 114 Cb 0.00 0.26 0.10 0.00 0.10 0.00 0.00 34.13 34.60 1x02 s GLU 114 CO 0.00 -0.33 0.39 0.15 0.02 0.00 0.00 175.26 175.48 1x02 s LYS 115 N -4.10 2.80 0.25 1.61 1.02 -1.26 -4.65 119.74 115.41 1x02 s LYS 115 Ca 0.31 -1.57 0.09 0.00 0.02 0.00 0.00 55.97 54.82 1x02 s LYS 115 Cb 0.07 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 1x02 s LYS 115 CO 0.07 -1.14 0.01 -0.51 -0.92 0.00 0.00 175.35 172.86 1x02 s LEU 116 N 1.53 3.26 0.18 3.17 1.43 -1.26 -5.07 118.68 121.92 1x02 s LEU 116 Ca 0.04 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1x02 s LEU 116 Cb -0.26 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1x02 s LEU 116 CO 0.03 0.01 0.16 0.42 0.23 0.00 0.00 176.35 177.20 1x02 s THR 117 N -2.22 0.04 0.36 5.49 -4.23 -1.26 -4.98 115.64 108.83 1x02 s THR 117 Ca 0.31 -1.85 0.26 0.00 -1.18 0.00 0.00 61.69 59.23 1x02 s THR 117 Cb -0.07 -2.26 0.40 0.00 1.34 0.00 0.00 72.50 71.91 1x02 s THR 117 CO 0.20 -0.17 1.31 -0.67 -0.54 0.00 0.00 174.62 174.75 1x02 n ASP 118 N -0.22 0.20 0.24 3.99 -0.08 -1.26 0.63 116.55 120.04 1x02 n ASP 118 Ca -0.02 1.20 -0.14 0.00 -1.51 0.00 0.00 54.79 54.32 1x02 n ASP 118 Cb 0.65 -0.59 -0.07 0.00 2.34 0.00 0.00 41.12 43.44 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1x02 h GLU 119 N 0.00 -0.62 -0.01 -0.67 4.39 -1.98 0.13 114.58 115.82 1x02 h GLU 119 Ca 0.73 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.51 1x02 h GLU 119 Cb 2.29 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 31.03 1x02 h GLU 119 CO -0.43 -0.31 -0.38 0.93 -1.16 0.00 0.00 179.01 177.65 1x02 h GLU 120 N -0.97 -0.51 -0.65 2.33 4.39 -0.19 -2.03 114.58 116.95 1x02 h GLU 120 Ca -0.07 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1x02 h GLU 120 Cb 0.59 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1x02 h GLU 120 CO 0.11 -0.34 0.37 0.28 -1.16 0.00 0.00 179.01 178.27 1x02 h VAL 121 N -0.53 1.01 -0.80 3.13 2.07 -1.37 -2.31 116.25 117.43 1x02 h VAL 121 Ca 0.06 -0.24 0.20 0.00 0.82 0.00 0.00 66.70 67.53 1x02 h VAL 121 Cb 0.62 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.49 1x02 h VAL 121 CO -0.30 0.13 0.12 0.44 0.02 0.00 0.00 177.57 177.98 1x02 h ASP 122 N 0.71 -0.16 -0.33 0.57 3.32 -0.25 0.72 116.42 121.00 1x02 h ASP 122 Ca 0.28 0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.56 1x02 h ASP 122 Cb 0.13 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1x02 h ASP 122 CO -0.15 -0.15 0.22 -0.33 -1.72 0.00 0.00 179.24 177.11 1x02 h GLU 123 N 0.17 0.29 0.09 3.56 5.08 -0.98 -2.24 114.58 120.55 1x02 h GLU 123 Ca 0.47 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1x02 h GLU 123 Cb 0.88 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1x02 h GLU 123 CO -0.64 0.19 -0.04 1.98 -1.00 0.00 0.00 179.01 179.50 1x02 h MET 124 N 0.29 -0.11 -0.97 2.33 4.05 0.39 -3.24 114.93 117.67 1x02 h MET 124 Ca 0.14 0.01 0.24 0.00 -0.28 0.00 0.00 59.70 59.81 1x02 h MET 124 Cb 0.19 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 1x02 h MET 124 CO -0.03 0.43 0.65 0.82 0.23 0.00 0.00 176.91 179.01 1x02 h ILE 125 N -0.80 0.59 -0.05 1.77 1.08 -0.87 0.88 117.51 120.11 1x02 h ILE 125 Ca -0.01 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1x02 h ILE 125 Cb 0.59 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1x02 h ILE 125 CO 0.02 0.06 0.00 -2.11 -0.69 0.00 0.00 178.15 175.43 1x02 n ARG 126 N -4.50 1.23 0.00 2.37 1.85 -0.87 -0.62 116.66 116.12 1x02 n ARG 126 Ca 0.22 -0.22 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1x02 n ARG 126 Cb 0.83 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 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 -0.09 3.07 -0.05 2.89 2.13 0.30 -4.82 120.64 124.07 1x02 n GLU 127 Ca 0.02 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.79 1x02 n GLU 127 Cb 0.22 -0.97 -0.08 0.00 0.27 0.00 0.00 31.44 30.89 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 -2.00 1.75 -1.55 4.31 0.00 -1.04 -4.91 120.51 117.07 1x02 n ALA 128 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 53.44 52.42 1x02 n ALA 128 Cb 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.42 2.24 0.01 0.00 2.03 0.20 -4.75 116.55 113.87 1x02 n ASP 129 Ca -0.17 -0.53 -0.01 0.00 0.52 0.00 0.00 54.79 54.60 1x02 n ASP 129 Cb 0.83 -1.57 -0.01 0.00 -0.72 0.00 0.00 41.12 39.65 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 7.72 0.00 -0.81 5.18 1.08 -1.86 -3.35 117.51 125.47 1x02 h ILE 130 Ca -0.23 -0.55 0.19 0.00 -0.39 0.00 0.00 64.86 63.89 1x02 h ILE 130 Cb 1.26 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.89 1x02 h ILE 130 CO 1.16 0.00 0.19 -2.24 -0.69 0.00 0.00 178.15 176.57 1x02 h ASP 131 N -0.64 -0.03 -0.26 1.72 2.03 -1.91 -3.46 116.42 113.87 1x02 h ASP 131 Ca -0.01 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1x02 h ASP 131 Cb 0.07 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1x02 h ASP 131 CO 0.02 -0.10 0.00 0.61 -1.03 0.00 0.00 179.24 178.73 1x02 n GLY 132 N -1.37 0.86 0.31 7.15 0.00 -1.26 -5.01 105.19 105.86 1x02 n GLY 132 Ca 0.17 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.17 2.70 -1.21 1.61 5.75 -1.26 -4.96 116.55 119.35 1x02 n ASP 133 Ca 0.00 -2.74 -0.10 0.00 -0.01 0.00 0.00 54.79 51.93 1x02 n ASP 133 Cb 0.10 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 134 N -0.83 -0.06 3.19 6.12 0.00 -1.26 -5.02 105.19 107.34 1x02 n GLY 134 Ca 0.14 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -4.54 1.05 -0.43 1.61 -0.21 -1.26 -3.91 119.66 111.97 1x02 s GLN 135 Ca 0.01 -1.52 0.02 0.00 0.02 0.00 0.00 55.36 53.89 1x02 s GLN 135 Cb -0.00 0.06 0.15 0.00 1.00 0.00 0.00 33.01 34.22 1x02 s GLN 135 CO 0.01 -0.24 0.29 0.08 -2.12 0.00 0.00 175.29 173.30 1x02 s VAL 136 N -3.93 0.86 1.32 1.09 1.01 -0.88 -4.30 120.40 115.57 1x02 s VAL 136 Ca 0.27 -2.51 -0.22 0.00 0.00 0.00 0.00 61.98 59.52 1x02 s VAL 136 Cb 0.07 -1.60 0.33 0.00 0.00 0.00 0.00 36.38 35.18 1x02 s VAL 136 CO 0.05 -1.04 1.03 -0.46 0.00 0.00 0.00 175.10 174.68 1x02 n ASN 137 N 3.32 -2.81 0.18 3.32 6.94 -1.26 -2.50 115.26 122.46 1x02 n ASN 137 Ca 0.17 -1.08 -0.17 0.00 -0.02 0.00 0.00 54.58 53.48 1x02 n ASN 137 Cb 0.39 -1.01 -0.10 0.00 -2.36 0.00 0.00 39.78 36.70 1x02 n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1x02 h TYR 138 N -3.05 -1.50 -0.28 -2.53 3.20 -1.96 0.32 116.97 111.17 1x02 h TYR 138 Ca -0.41 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.56 1x02 h TYR 138 Cb 1.29 0.62 -0.07 0.00 1.54 0.00 0.00 36.73 40.11 1x02 h TYR 138 CO 0.00 -0.63 -0.23 1.49 -1.64 0.00 0.00 178.16 177.15 1x02 h GLU 139 N -0.85 -0.21 -0.54 1.82 4.81 -1.92 0.34 114.58 118.03 1x02 h GLU 139 Ca -0.03 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1x02 h GLU 139 Cb 0.81 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1x02 h GLU 139 CO -0.21 -0.14 0.36 0.93 -0.73 0.00 0.00 179.01 179.22 1x02 h GLU 140 N -0.22 0.47 -0.08 1.92 5.08 -1.78 -1.26 114.58 118.72 1x02 h GLU 140 Ca 0.15 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1x02 h GLU 140 Cb 0.44 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1x02 h GLU 140 CO -0.40 0.31 -0.28 0.35 -1.00 0.00 0.00 179.01 177.99 1x02 h PHE 141 N 0.48 0.44 0.16 4.33 3.57 0.17 -3.00 116.94 123.09 1x02 h PHE 141 Ca 0.24 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1x02 h PHE 141 Cb 0.32 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1x02 h PHE 141 CO -0.00 0.90 -0.16 0.28 -2.23 0.00 0.00 178.31 177.09 1x02 h VAL 142 N -0.14 0.64 -0.09 1.41 2.07 0.18 -2.77 116.25 117.54 1x02 h VAL 142 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1x02 h VAL 142 Cb 0.91 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1x02 h VAL 142 CO 0.06 0.00 -0.45 1.56 0.02 0.00 0.00 177.57 178.76 1x02 h GLN 143 N -0.35 -0.52 -0.92 1.57 1.08 -1.34 -0.99 115.11 113.64 1x02 h GLN 143 Ca 0.01 0.04 0.26 0.00 -1.45 0.00 0.00 58.65 57.50 1x02 h GLN 143 Cb 0.34 0.12 -0.16 0.00 -0.05 0.00 0.00 27.48 27.73 1x02 h GLN 143 CO -0.05 -0.35 0.21 1.98 -0.95 0.00 0.00 178.83 179.67 1x02 h MET 144 N -0.54 0.13 -0.59 1.46 4.05 -1.42 0.58 114.93 118.60 1x02 h MET 144 Ca 0.06 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1x02 h MET 144 Cb 0.65 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 1x02 h MET 144 CO -0.38 0.08 0.38 0.52 0.23 0.00 0.00 176.91 177.74 1x02 h MET 145 N 0.13 0.74 -2.21 0.39 2.86 -0.91 -3.25 114.93 112.68 1x02 h MET 145 Ca 0.59 -0.04 -0.58 0.00 -2.06 0.00 0.00 59.70 57.61 1x02 h MET 145 Cb 1.25 -0.17 -0.42 0.00 0.06 0.00 0.00 31.60 32.33 1x02 h MET 145 CO -0.74 0.49 -0.72 -2.37 1.06 0.00 0.00 176.91 174.63 1x02 n THR 146 N -4.70 2.31 -2.13 2.22 5.66 0.17 -4.85 114.28 112.95 1x02 n THR 146 Ca 0.04 -5.29 -0.24 0.00 -3.05 0.00 0.00 64.05 55.51 1x02 n THR 146 Cb 0.04 -1.46 0.02 0.00 -1.55 0.00 0.00 70.33 67.38 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x02 n ALA 147 N 0.17 4.99 -0.55 1.79 0.00 0.89 -4.82 120.51 122.98 1x02 n ALA 147 Ca 0.29 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.85 1x02 n ALA 147 Cb 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1x02 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13