#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 -0.34 0.00 5.19 -2.12 -3.31 116.42 115.85 1x02 h ASP 2 Ca 0.00 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.16 1x02 h ASP 2 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1x02 h ASP 2 CO 0.00 0.09 0.09 0.00 -3.12 0.00 0.00 179.24 176.30 1x02 n GLN 3 N -2.22 2.51 -3.83 3.56 6.02 -1.26 -4.67 117.38 117.48 1x02 n GLN 3 Ca 0.03 -1.49 -0.30 0.00 -0.01 0.00 0.00 57.00 55.22 1x02 n GLN 3 Cb 0.46 -1.78 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x02 s LEU 4 N -1.40 3.26 0.00 1.08 1.43 -1.25 -4.75 118.68 117.06 1x02 s LEU 4 Ca 0.27 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 1x02 s LEU 4 Cb 0.21 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1x02 s LEU 4 CO 0.07 -0.36 0.00 0.41 0.23 0.00 0.00 176.35 176.70 1x02 n THR 5 N 4.27 0.00 -0.02 5.49 -1.04 -1.26 -4.97 114.28 116.74 1x02 n THR 5 Ca 0.02 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.01 1x02 n THR 5 Cb 0.40 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.65 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 -1.92 2.58 -0.36 -2.82 1.02 -1.26 -4.37 120.64 113.50 1x02 n GLU 6 Ca 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1x02 n GLU 6 Cb 0.00 -1.11 0.15 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.22 0.31 3.49 9.09 -1.95 -2.20 114.58 124.53 1x02 h GLU 7 Ca -0.12 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 59.20 1x02 h GLU 7 Cb 1.25 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 1x02 h GLU 7 CO 0.00 0.80 -0.15 1.96 0.05 0.00 0.00 179.01 181.68 1x02 h GLN 8 N 1.25 -0.40 -0.99 1.06 1.08 -1.85 -3.18 115.11 112.08 1x02 h GLN 8 Ca 0.40 0.03 0.34 0.00 -1.45 0.00 0.00 58.65 57.96 1x02 h GLN 8 Cb 0.01 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 27.35 1x02 h GLN 8 CO -0.12 -0.20 0.32 0.82 -0.95 0.00 0.00 178.83 178.70 1x02 h ILE 9 N -1.08 0.05 -0.76 2.54 2.04 -1.74 1.05 117.51 119.61 1x02 h ILE 9 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1x02 h ILE 9 Cb 0.39 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1x02 h ILE 9 CO 0.07 0.01 0.50 0.00 0.00 0.00 0.00 178.15 178.73 1x02 h ALA 10 N 1.97 0.97 -0.13 1.87 0.00 -1.46 0.27 119.26 122.74 1x02 h ALA 10 Ca 0.72 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.49 1x02 h ALA 10 Cb 1.73 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1x02 h ALA 10 CO -0.81 0.37 -0.29 0.93 0.00 0.00 0.00 179.25 179.45 1x02 h GLU 11 N 1.02 0.43 -0.14 0.00 4.39 0.10 -3.08 114.58 117.31 1x02 h GLU 11 Ca 0.28 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1x02 h GLU 11 Cb -0.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1x02 h GLU 11 CO -0.07 0.89 -0.14 0.74 -1.16 0.00 0.00 179.01 179.27 1x02 h PHE 12 N 0.03 0.23 0.52 4.33 0.04 -0.57 -3.04 116.94 118.48 1x02 h PHE 12 Ca 0.00 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1x02 h PHE 12 Cb 0.89 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.98 1x02 h PHE 12 CO 0.10 0.36 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.70 1x02 h LYS 13 N 0.21 -0.68 -1.00 1.51 3.64 -0.43 -2.33 116.57 117.48 1x02 h LYS 13 Ca 0.04 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.69 1x02 h LYS 13 Cb 0.38 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1x02 h LYS 13 CO 0.02 -0.44 0.61 0.93 -2.27 0.00 0.00 179.45 178.31 1x02 h GLU 14 N -0.74 0.63 0.00 1.90 4.39 -1.45 0.87 114.58 120.19 1x02 h GLU 14 Ca -0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1x02 h GLU 14 Cb 0.55 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1x02 h GLU 14 CO 0.12 0.41 -0.12 0.00 -1.16 0.00 0.00 179.01 178.27 1x02 h ALA 15 N 1.67 1.09 -0.02 3.43 0.00 -1.41 -2.28 119.26 121.74 1x02 h ALA 15 Ca 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x02 h ALA 15 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x02 h ALA 15 CO -0.39 0.14 -0.19 0.34 0.00 0.00 0.00 179.25 179.15 1x02 n PHE 16 N -3.36 0.00 -0.04 0.00 -0.00 0.25 -4.27 117.46 110.04 1x02 n PHE 16 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.39 1x02 n PHE 16 Cb 0.31 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.65 1x02 n PHE 16 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1x02 n SER 17 N 0.49 0.47 0.07 -2.13 7.64 0.17 -3.83 113.62 116.50 1x02 n SER 17 Ca 0.09 0.22 -0.12 0.00 1.01 0.00 0.00 58.87 60.07 1x02 n SER 17 Cb 0.43 0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 1x02 n SER 17 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1x02 h LEU 18 N 0.00 0.42 -0.55 -3.43 -0.00 -1.65 -3.25 115.31 106.85 1x02 h LEU 18 Ca -0.33 -0.34 -0.13 0.00 -0.00 0.00 0.00 57.88 57.08 1x02 h LEU 18 Cb 1.92 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 42.43 1x02 h LEU 18 CO 0.05 1.15 -0.24 -0.26 -0.00 0.00 0.00 178.44 179.13 1x02 h PHE 19 N 0.18 1.05 -1.19 0.17 0.04 -1.74 -3.39 116.94 112.05 1x02 h PHE 19 Ca -0.07 -0.26 -0.42 0.00 2.80 0.00 0.00 57.97 60.03 1x02 h PHE 19 Cb 1.56 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 39.41 1x02 h PHE 19 CO 0.05 1.05 1.05 0.34 -0.60 0.00 0.00 178.31 180.20 1x02 s ASP 20 N -6.75 5.55 -0.06 2.17 -1.08 -1.23 -4.75 116.67 110.52 1x02 s ASP 20 Ca -0.10 -0.62 -0.22 0.00 -0.52 0.00 0.00 52.55 51.09 1x02 s ASP 20 Cb 0.12 -2.56 -0.31 0.00 -1.46 0.00 0.00 42.92 38.72 1x02 s ASP 20 CO 0.86 -2.33 0.86 0.11 0.52 0.00 0.00 175.17 175.19 1x02 h LYS 21 N 11.60 0.29 -0.75 4.34 1.79 -1.84 -3.33 116.57 128.66 1x02 h LYS 21 Ca 0.02 -0.49 0.06 0.00 -2.18 0.00 0.00 60.65 58.06 1x02 h LYS 21 Cb 1.04 0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 1x02 h LYS 21 CO 1.26 1.23 0.44 0.38 -1.08 0.00 0.00 179.45 181.69 1x02 h ASP 22 N -0.39 0.68 -0.42 0.86 3.04 -1.92 -3.47 116.42 114.80 1x02 h ASP 22 Ca -0.15 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 1x02 h ASP 22 Cb 1.63 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 1x02 h ASP 22 CO 0.14 0.44 0.00 0.61 -2.04 0.00 0.00 179.24 178.39 1x02 n GLY 23 N -1.30 0.77 0.59 7.15 0.00 -1.25 -5.04 105.19 106.11 1x02 n GLY 23 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1x02 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 24 N 0.13 1.29 0.00 1.61 5.75 -1.26 -5.05 116.55 119.02 1x02 n ASP 24 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1x02 n ASP 24 Cb 0.15 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 2.74 0.61 3.06 6.12 0.00 -1.26 -5.15 105.19 111.31 1x02 n GLY 25 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.77 0.61 -0.35 2.61 -4.23 -1.26 -4.01 115.64 108.25 1x02 s THR 26 Ca 0.00 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1x02 s THR 26 Cb 0.00 -0.64 0.09 0.00 1.34 0.00 0.00 72.50 73.28 1x02 s THR 26 CO 0.00 -0.28 0.09 -0.63 -0.54 0.00 0.00 174.62 173.25 1x02 s ILE 27 N -1.19 2.88 0.38 2.99 1.01 0.60 -4.71 121.20 123.15 1x02 s ILE 27 Ca -0.07 -1.91 0.04 0.00 0.00 0.00 0.00 60.65 58.71 1x02 s ILE 27 Cb -0.09 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1x02 s ILE 27 CO 0.01 -0.46 0.55 0.28 0.00 0.00 0.00 174.94 175.32 1x02 s THR 28 N 1.11 4.14 0.61 2.92 -1.32 -1.26 -2.51 115.64 119.32 1x02 s THR 28 Ca 0.04 -0.77 0.27 0.00 -1.21 0.00 0.00 61.69 60.02 1x02 s THR 28 Cb -0.21 -3.48 0.37 0.00 -1.51 0.00 0.00 72.50 67.67 1x02 s THR 28 CO -0.04 -0.25 1.61 0.71 -2.21 0.00 0.00 174.62 174.44 1x02 h THR 29 N 0.70 0.17 -0.05 5.08 1.35 -1.97 1.13 112.91 119.33 1x02 h THR 29 Ca -0.46 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.20 1x02 h THR 29 Cb 1.25 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1x02 h THR 29 CO 0.55 0.00 -0.81 0.50 -0.25 0.00 0.00 175.52 175.52 1x02 h LYS 30 N 0.00 0.39 0.02 4.72 1.63 -1.97 0.56 116.57 121.92 1x02 h LYS 30 Ca 0.31 -0.35 -0.29 0.00 -0.85 0.00 0.00 60.65 59.47 1x02 h LYS 30 Cb 1.93 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 33.60 1x02 h LYS 30 CO -0.00 1.01 -1.65 0.93 -3.45 0.00 0.00 179.45 176.29 1x02 h GLU 31 N 0.25 0.04 0.02 1.90 5.08 0.81 -3.28 114.58 119.39 1x02 h GLU 31 Ca -0.05 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1x02 h GLU 31 Cb 1.41 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x02 h GLU 31 CO 0.14 0.66 -0.01 1.25 -1.00 0.00 0.00 179.01 180.05 1x02 h LEU 32 N 0.01 -0.02 -1.30 1.33 5.85 -0.54 -3.23 115.31 117.42 1x02 h LEU 32 Ca -0.27 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1x02 h LEU 32 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1x02 h LEU 32 CO 0.09 0.80 0.00 0.61 -0.34 0.00 0.00 178.44 179.60 1x02 n GLY 33 N 1.49 -0.89 0.07 3.75 0.00 0.19 -0.53 105.19 109.27 1x02 n GLY 33 Ca -0.07 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 1.45 0.02 2.61 1.03 -1.61 -3.24 112.91 113.16 1x02 h THR 34 Ca 0.00 -3.19 -0.34 0.00 -0.01 0.00 0.00 66.41 62.87 1x02 h THR 34 Cb 0.04 2.73 -0.05 0.00 -1.07 0.00 0.00 68.15 69.79 1x02 h THR 34 CO 0.00 0.83 -2.07 0.52 -0.01 0.00 0.00 175.52 174.80 1x02 n VAL 35 N -3.28 1.55 -0.19 0.00 0.31 -0.39 -4.05 118.33 112.29 1x02 n VAL 35 Ca -0.06 -0.77 -0.07 0.00 -0.01 0.00 0.00 64.34 63.44 1x02 n VAL 35 Cb 0.98 -1.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.94 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 0.01 0.73 0.00 5.55 2.86 -0.95 -0.80 114.93 122.33 1x02 h MET 36 Ca -0.43 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1x02 h MET 36 Cb 2.08 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1x02 h MET 36 CO 0.04 0.48 0.00 2.89 1.06 0.00 0.00 176.91 181.39 1x02 n ARG 37 N -4.70 0.07 0.05 1.72 -4.01 -0.46 -1.59 116.66 107.74 1x02 n ARG 37 Ca 0.03 0.30 0.13 0.00 -1.04 0.00 0.00 57.85 57.27 1x02 n ARG 37 Cb 0.02 -1.63 0.36 0.00 -3.04 0.00 0.00 32.46 28.17 1x02 n ARG 37 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1x02 n SER 38 N -1.77 0.54 -0.05 2.89 7.64 -0.31 -3.81 113.62 118.75 1x02 n SER 38 Ca 0.03 0.30 -0.04 0.00 1.01 0.00 0.00 58.87 60.16 1x02 n SER 38 Cb 0.20 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 1x02 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x02 n LEU 39 N -1.92 0.00 0.00 -3.43 4.77 -0.83 -5.00 117.00 110.59 1x02 n LEU 39 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1x02 n LEU 39 Cb 0.40 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1x02 n LEU 39 CO 0.32 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1x02 n GLY 40 N 2.14 0.25 2.75 -0.72 0.00 -0.96 -5.15 105.19 103.51 1x02 n GLY 40 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.03 -0.76 1.61 -1.52 -0.62 -4.98 119.66 113.36 1x02 s GLN 41 Ca 0.00 0.42 0.02 0.00 -1.95 0.00 0.00 55.36 53.86 1x02 s GLN 41 Cb 0.00 -0.38 0.34 0.00 -0.22 0.00 0.00 33.01 32.75 1x02 s GLN 41 CO 0.00 -0.29 1.35 -1.71 -0.25 0.00 0.00 175.29 174.39 1x02 n ASN 42 N 5.12 5.78 -4.72 5.90 2.85 -1.26 -1.35 115.26 127.57 1x02 n ASN 42 Ca -0.08 -3.70 -0.42 0.00 -0.11 0.00 0.00 54.58 50.28 1x02 n ASN 42 Cb 0.50 -0.82 -0.03 0.00 1.24 0.00 0.00 39.78 40.67 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 -3.85 4.35 0.70 1.20 0.04 -1.26 -5.02 135.00 131.15 1x02 s PRO 43 Ca 0.45 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 1x02 s PRO 43 Cb 0.26 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1x02 s PRO 43 CO -0.15 -0.37 1.09 0.95 0.04 0.00 0.00 177.00 178.56 1x02 s THR 44 N 0.83 3.52 0.28 1.26 -4.23 -1.26 -4.63 115.64 111.40 1x02 s THR 44 Ca 0.62 0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1x02 s THR 44 Cb -0.36 -3.48 0.44 0.00 1.34 0.00 0.00 72.50 70.44 1x02 s THR 44 CO 0.32 -0.63 1.56 -0.33 -0.54 0.00 0.00 174.62 175.00 1x02 h GLU 45 N -0.63 0.00 -0.98 3.99 5.08 -1.97 1.08 114.58 121.15 1x02 h GLU 45 Ca -0.45 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1x02 h GLU 45 Cb 1.25 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1x02 h GLU 45 CO 0.64 0.00 0.64 0.00 -1.00 0.00 0.00 179.01 179.29 1x02 h ALA 46 N 1.98 1.37 0.00 3.43 0.00 -1.98 0.22 119.26 124.28 1x02 h ALA 46 Ca 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1x02 h ALA 46 Cb 0.74 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x02 h ALA 46 CO -1.00 0.52 -0.00 0.93 0.00 0.00 0.00 179.25 179.70 1x02 h GLU 47 N 1.23 -0.00 -0.22 0.00 5.08 0.73 -1.59 114.58 119.80 1x02 h GLU 47 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1x02 h GLU 47 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1x02 h GLU 47 CO -0.13 0.39 0.12 -0.07 -1.00 0.00 0.00 179.01 178.32 1x02 h LEU 48 N -0.39 0.28 -0.78 1.33 3.38 -0.49 -2.03 115.31 116.61 1x02 h LEU 48 Ca -0.00 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1x02 h LEU 48 Cb 0.39 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1x02 h LEU 48 CO 0.00 0.28 0.49 1.56 0.09 0.00 0.00 178.44 180.86 1x02 h GLN 49 N 0.26 0.91 -0.27 1.13 1.08 -0.61 0.23 115.11 117.83 1x02 h GLN 49 Ca 0.08 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1x02 h GLN 49 Cb 0.06 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1x02 h GLN 49 CO -0.01 0.60 0.17 -0.44 -0.95 0.00 0.00 178.83 178.20 1x02 h ASP 50 N 0.94 0.28 -0.23 1.46 3.32 -1.00 0.30 116.42 121.48 1x02 h ASP 50 Ca 0.32 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1x02 h ASP 50 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1x02 h ASP 50 CO -0.13 0.21 -0.07 0.24 -1.72 0.00 0.00 179.24 177.77 1x02 h MET 51 N 0.35 0.45 -0.71 3.56 2.86 -0.91 -2.61 114.93 117.92 1x02 h MET 51 Ca 0.10 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1x02 h MET 51 Cb -0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1x02 h MET 51 CO -0.04 0.70 0.39 0.82 1.06 0.00 0.00 176.91 179.84 1x02 h ILE 52 N 0.18 1.22 -0.51 -1.22 2.04 -0.39 -2.32 117.51 116.51 1x02 h ILE 52 Ca 0.06 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1x02 h ILE 52 Cb 0.54 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1x02 h ILE 52 CO 0.03 0.24 0.29 0.78 0.00 0.00 0.00 178.15 179.48 1x02 h ASN 53 N 0.98 0.61 -0.22 1.72 2.35 -0.37 0.38 115.58 121.04 1x02 h ASN 53 Ca 0.25 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1x02 h ASN 53 Cb 0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1x02 h ASN 53 CO -0.04 0.49 0.13 -0.33 -1.65 0.00 0.00 177.43 176.03 1x02 h GLU 54 N 0.70 0.27 0.05 0.81 4.39 -1.02 -2.91 114.58 116.87 1x02 h GLU 54 Ca 0.18 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.64 1x02 h GLU 54 Cb 0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1x02 h GLU 54 CO -0.03 0.18 -1.04 0.28 -1.16 0.00 0.00 179.01 177.23 1x02 h VAL 55 N 0.27 1.54 0.00 3.13 2.07 -1.33 -3.45 116.25 118.49 1x02 h VAL 55 Ca 0.08 -2.95 -0.74 0.00 0.82 0.00 0.00 66.70 63.90 1x02 h VAL 55 Cb -0.02 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1x02 h VAL 55 CO -0.03 0.86 1.29 -0.67 0.02 0.00 0.00 177.57 179.03 1x02 n ASP 56 N -3.55 0.72 -0.01 0.57 2.03 0.13 -4.78 116.55 111.67 1x02 n ASP 56 Ca -0.05 0.65 -0.04 0.00 0.52 0.00 0.00 54.79 55.88 1x02 n ASP 56 Cb 0.92 -0.87 -0.01 0.00 -0.72 0.00 0.00 41.12 40.43 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 7.31 2.14 -0.26 -1.67 0.00 -1.26 -4.67 120.51 122.11 1x02 n ALA 57 Ca 0.53 -0.32 0.22 0.00 0.00 0.00 0.00 53.44 53.87 1x02 n ALA 57 Cb -0.04 0.16 0.40 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.85 0.18 0.00 0.00 5.75 -1.26 -4.76 116.55 112.61 1x02 n ASP 58 Ca -0.05 1.32 0.00 0.00 -0.01 0.00 0.00 54.79 56.04 1x02 n ASP 58 Cb 0.20 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 -1.26 0.85 0.34 6.12 0.00 -1.26 -5.04 105.19 104.94 1x02 n GLY 59 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 2.24 0.00 1.61 6.94 -1.26 -5.09 115.26 119.70 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 2.94 3.58 3.82 4.83 0.00 -1.26 -5.12 105.19 113.98 1x02 n GLY 61 Ca 0.00 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 4.45 0.51 2.61 -4.23 -1.26 -4.59 115.64 113.13 1x02 s THR 62 Ca 0.00 1.40 -0.20 0.00 -1.18 0.00 0.00 61.69 61.71 1x02 s THR 62 Cb 0.00 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 70.01 1x02 s THR 62 CO 0.00 -0.07 1.09 -0.63 -0.54 0.00 0.00 174.62 174.47 1x02 s ILE 63 N -1.86 3.45 0.27 2.99 1.01 -1.04 -4.77 121.20 121.24 1x02 s ILE 63 Ca 0.53 0.92 0.01 0.00 0.00 0.00 0.00 60.65 62.11 1x02 s ILE 63 Cb -0.13 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1x02 s ILE 63 CO 0.18 -0.18 0.07 0.47 0.00 0.00 0.00 174.94 175.48 1x02 n ASP 64 N -1.07 2.47 0.01 3.58 8.00 -1.26 -0.29 116.55 127.99 1x02 n ASP 64 Ca 0.10 -2.12 -0.12 0.00 0.71 0.00 0.00 54.79 53.36 1x02 n ASP 64 Cb 0.51 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.96 0.05 -0.20 1.24 3.57 -1.95 -0.26 116.94 120.34 1x02 h PHE 65 Ca -0.21 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.20 1x02 h PHE 65 Cb 0.67 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1x02 h PHE 65 CO 0.00 0.21 -0.19 -1.00 -2.23 0.00 0.00 178.31 175.09 1x02 h PRO 66 N -0.12 0.49 -0.82 6.41 0.13 -1.97 -3.21 132.00 132.90 1x02 h PRO 66 Ca 0.01 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1x02 h PRO 66 Cb 0.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.28 1x02 h PRO 66 CO -0.00 0.83 0.42 0.93 -0.23 0.00 0.00 178.00 179.95 1x02 h GLU 67 N 0.16 1.17 -0.78 0.86 5.08 -1.91 -2.69 114.58 116.48 1x02 h GLU 67 Ca 0.03 -0.16 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1x02 h GLU 67 Cb 0.74 -0.22 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1x02 h GLU 67 CO 0.05 0.89 0.34 0.35 -1.00 0.00 0.00 179.01 179.64 1x02 h PHE 68 N 1.16 0.58 -1.08 4.33 3.57 -1.04 -0.03 116.94 124.44 1x02 h PHE 68 Ca 0.29 0.04 0.33 0.00 3.53 0.00 0.00 57.97 62.15 1x02 h PHE 68 Cb 0.08 -0.14 -0.13 0.00 2.79 0.00 0.00 35.95 38.55 1x02 h PHE 68 CO 0.01 0.09 0.65 -0.07 -2.23 0.00 0.00 178.31 176.76 1x02 h LEU 69 N 0.49 0.45 -0.03 0.59 3.38 -1.49 0.21 115.31 118.91 1x02 h LEU 69 Ca 0.43 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 1x02 h LEU 69 Cb 0.65 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1x02 h LEU 69 CO -0.40 -0.09 0.02 0.74 0.09 0.00 0.00 178.44 178.80 1x02 h THR 70 N 0.30 1.06 -0.20 0.22 2.02 -1.12 -2.32 112.91 112.86 1x02 h THR 70 Ca 0.72 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.79 1x02 h THR 70 Cb 1.82 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 1x02 h THR 70 CO -0.50 0.05 -0.07 -0.03 0.37 0.00 0.00 175.52 175.34 1x02 h MET 71 N -0.01 -0.03 -0.89 6.66 1.85 -0.63 -1.35 114.93 120.52 1x02 h MET 71 Ca 0.01 0.00 0.14 0.00 -0.61 0.00 0.00 59.70 59.25 1x02 h MET 71 Cb 0.06 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.03 1x02 h MET 71 CO -0.00 -0.02 0.57 0.52 -0.40 0.00 0.00 176.91 177.58 1x02 h MET 72 N -0.03 0.67 -0.62 0.39 2.07 -1.29 1.03 114.93 117.15 1x02 h MET 72 Ca 0.10 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1x02 h MET 72 Cb 0.19 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.74 1x02 h MET 72 CO -0.23 0.44 0.26 0.00 1.07 0.00 0.00 176.91 178.46 1x02 h ALA 73 N 1.60 0.81 -0.53 6.32 0.00 -0.69 0.88 119.26 127.64 1x02 h ALA 73 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1x02 h ALA 73 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x02 h ALA 73 CO -0.20 0.41 0.00 2.89 0.00 0.00 0.00 179.25 182.35 1x02 n ARG 74 N -4.46 3.87 0.00 0.00 -4.01 -0.32 -4.22 116.66 107.52 1x02 n ARG 74 Ca 0.04 -2.90 0.00 0.00 -1.04 0.00 0.00 57.85 53.95 1x02 n ARG 74 Cb 0.16 -1.95 0.00 0.00 -3.04 0.00 0.00 32.46 27.63 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 0.62 0.58 0.29 2.89 3.00 0.34 -4.65 118.16 121.23 1x02 n LYS 75 Ca 0.24 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.74 1x02 n LYS 75 Cb 0.95 -0.95 0.95 0.00 0.00 0.00 0.00 35.03 35.98 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 -1.00 0.19 114.93 118.62 1x02 h MET 76 Ca 0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1x02 h MET 76 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1x02 h MET 76 CO 0.00 0.00 -1.08 1.57 1.06 0.00 0.00 176.91 178.46 1x02 h LYS 77 N 0.00 0.00 0.00 1.72 5.09 -1.84 -0.81 116.57 120.73 1x02 h LYS 77 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.72 1x02 h LYS 77 Cb 0.40 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.72 1x02 h LYS 77 CO -0.00 0.64 -0.35 -0.44 -2.09 0.00 0.00 179.45 177.21 1x02 h ASP 78 N 0.00 0.00 0.00 7.07 5.19 -0.94 -3.29 116.42 124.44 1x02 h ASP 78 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1x02 h ASP 78 Cb 1.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.19 1x02 h ASP 78 CO 0.09 0.22 -1.80 1.07 -3.12 0.00 0.00 179.24 175.70 1x02 n THR 79 N -3.10 0.00 -0.24 0.35 5.66 -0.65 -4.53 114.28 111.77 1x02 n THR 79 Ca 0.02 -0.41 0.14 0.00 -3.05 0.00 0.00 64.05 60.75 1x02 n THR 79 Cb 0.63 0.14 0.26 0.00 -1.55 0.00 0.00 70.33 69.80 1x02 n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1x02 n ASP 80 N -2.11 -0.01 -0.27 1.09 5.75 -0.31 0.45 116.55 121.15 1x02 n ASP 80 Ca -0.03 1.21 0.09 0.00 -0.01 0.00 0.00 54.79 56.05 1x02 n ASP 80 Cb 0.48 -0.48 0.18 0.00 -1.03 0.00 0.00 41.12 40.27 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1x02 n SER 81 N -4.90 -0.16 -0.26 -1.12 7.64 -1.26 0.38 113.62 113.94 1x02 n SER 81 Ca 0.19 1.29 0.04 0.00 1.01 0.00 0.00 58.87 61.41 1x02 n SER 81 Cb 0.64 -0.44 0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1x02 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1x02 n GLU 82 N -5.12 -0.07 0.09 1.43 2.13 0.17 0.12 120.64 119.40 1x02 n GLU 82 Ca 0.16 1.12 -0.12 0.00 0.66 0.00 0.00 57.16 58.97 1x02 n GLU 82 Cb 0.50 -1.67 -0.06 0.00 0.27 0.00 0.00 31.44 30.48 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 -0.20 -1.69 5.31 4.39 -0.28 -2.02 114.58 120.10 1x02 h GLU 83 Ca 0.34 0.01 0.51 0.00 0.34 0.00 0.00 59.36 60.56 1x02 h GLU 83 Cb 0.52 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.13 1x02 h GLU 83 CO -0.74 -0.13 1.19 0.39 -1.16 0.00 0.00 179.01 178.56 1x02 n GLU 84 N -5.21 -0.01 0.03 2.33 -0.58 0.33 0.22 120.64 117.76 1x02 n GLU 84 Ca -0.07 1.03 -0.18 0.00 -0.42 0.00 0.00 57.16 57.52 1x02 n GLU 84 Cb 0.13 -2.29 -0.14 0.00 -0.57 0.00 0.00 31.44 28.57 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 0.86 -0.87 -3.67 2.04 -1.23 -3.38 117.51 111.25 1x02 h ILE 85 Ca 0.85 -2.55 0.14 0.00 1.00 0.00 0.00 64.86 64.30 1x02 h ILE 85 Cb 3.27 2.61 -0.15 0.00 -0.74 0.00 0.00 36.82 41.81 1x02 h ILE 85 CO -0.11 0.80 -0.35 0.03 0.00 0.00 0.00 178.15 178.52 1x02 h ARG 86 N 0.07 -0.04 -0.85 2.37 2.47 0.32 0.19 114.38 118.91 1x02 h ARG 86 Ca -0.34 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.58 1x02 h ARG 86 Cb 2.04 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 30.21 1x02 h ARG 86 CO 0.12 -0.03 -0.13 0.39 0.56 0.00 0.00 179.97 180.89 1x02 n GLU 87 N -5.48 -0.07 -0.09 0.04 -0.58 -1.13 0.12 120.64 113.45 1x02 n GLU 87 Ca 0.09 1.30 -0.10 0.00 -0.42 0.00 0.00 57.16 58.03 1x02 n GLU 87 Cb 0.40 -1.99 -0.03 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.69 0.38 -0.89 0.62 0.00 -0.86 -2.36 119.26 117.84 1x02 h ALA 88 Ca 0.45 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1x02 h ALA 88 Cb 0.78 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1x02 h ALA 88 CO -0.84 -0.02 0.58 0.35 0.00 0.00 0.00 179.25 179.32 1x02 h PHE 89 N 0.33 1.10 -0.25 0.00 3.04 0.12 -2.56 116.94 118.71 1x02 h PHE 89 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1x02 h PHE 89 Cb 0.17 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1x02 h PHE 89 CO -0.01 0.65 0.16 0.00 -2.02 0.00 0.00 178.31 177.10 1x02 h ARG 90 N 1.15 0.34 -0.87 1.11 3.08 -0.43 -1.98 114.38 116.78 1x02 h ARG 90 Ca 0.35 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.53 1x02 h ARG 90 Cb -0.05 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 29.83 1x02 h ARG 90 CO -0.10 0.24 0.45 0.28 -1.07 0.00 0.00 179.97 179.77 1x02 h VAL 91 N 0.34 0.70 -0.09 2.04 2.07 -1.02 -1.69 116.25 118.59 1x02 h VAL 91 Ca 0.09 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x02 h VAL 91 Cb -0.02 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1x02 h VAL 91 CO -0.02 0.11 -0.00 -0.26 0.02 0.00 0.00 177.57 177.42 1x02 h PHE 92 N 0.61 0.18 -2.90 1.57 0.04 -1.25 -3.42 116.94 111.77 1x02 h PHE 92 Ca 0.49 -0.03 -0.54 0.00 2.80 0.00 0.00 57.97 60.68 1x02 h PHE 92 Cb 0.73 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1x02 h PHE 92 CO -0.09 0.42 0.84 0.34 -0.60 0.00 0.00 178.31 179.22 1x02 s ASP 93 N -5.67 6.83 -0.08 2.17 2.15 -0.64 -4.18 116.67 117.24 1x02 s ASP 93 Ca -0.14 2.16 -0.07 0.00 0.43 0.00 0.00 52.55 54.93 1x02 s ASP 93 Cb 0.05 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1x02 s ASP 93 CO 0.70 -0.73 -0.14 0.29 -0.17 0.00 0.00 175.17 175.12 1x02 n LYS 94 N 5.26 0.26 -0.28 4.34 5.02 -1.26 -4.53 118.16 126.97 1x02 n LYS 94 Ca 0.13 0.24 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 1x02 n LYS 94 Cb 0.43 -1.10 0.24 0.00 -0.02 0.00 0.00 35.03 34.58 1x02 n LYS 94 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1x02 h ASP 95 N -0.52 0.25 -0.79 4.39 2.03 -1.94 -3.46 116.42 116.38 1x02 h ASP 95 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1x02 h ASP 95 Cb 0.41 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1x02 h ASP 95 CO 0.00 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 1x02 n GLY 96 N -1.34 0.76 0.18 7.15 0.00 -1.26 -5.03 105.19 105.65 1x02 n GLY 96 Ca 0.18 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 0.23 2.02 0.00 1.61 6.94 -1.26 -5.05 115.26 119.75 1x02 n ASN 97 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1x02 n ASN 97 Cb 0.28 -0.49 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 2.07 2.68 3.89 4.83 0.00 -1.26 -5.13 105.19 112.26 1x02 n GLY 98 Ca -0.42 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 3.58 -0.47 1.61 1.51 -1.26 -3.72 117.35 118.60 1x02 s TYR 99 Ca 0.00 0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 56.49 1x02 s TYR 99 Cb 0.00 -1.96 0.12 0.00 -0.11 0.00 0.00 41.96 40.01 1x02 s TYR 99 CO 0.00 0.65 0.35 0.42 -1.11 0.00 0.00 175.55 175.87 1x02 s ILE 100 N -1.23 4.33 1.05 2.71 1.01 -1.24 -4.89 121.20 122.94 1x02 s ILE 100 Ca 0.24 -1.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.06 1x02 s ILE 100 Cb -0.13 -3.82 0.22 0.00 0.01 0.00 0.00 42.46 38.74 1x02 s ILE 100 CO 0.14 -0.75 1.07 -0.94 0.00 0.00 0.00 174.94 174.45 1x02 s SER 101 N 2.71 2.01 0.13 3.58 1.04 -1.26 -1.78 113.70 120.12 1x02 s SER 101 Ca 0.05 1.48 -0.19 0.00 0.48 0.00 0.00 55.95 57.77 1x02 s SER 101 Cb -0.26 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1x02 s SER 101 CO 0.00 -3.56 1.75 0.00 0.98 0.00 0.00 173.24 172.41 1x02 h ALA 102 N -2.18 0.24 0.03 5.32 0.00 -1.97 -2.50 119.26 118.20 1x02 h ALA 102 Ca -0.56 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1x02 h ALA 102 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1x02 h ALA 102 CO 0.52 -0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 1x02 h ALA 103 N 1.13 -0.17 -0.21 0.00 0.00 -1.92 0.26 119.26 118.36 1x02 h ALA 103 Ca 0.09 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1x02 h ALA 103 Cb 0.06 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1x02 h ALA 103 CO -0.09 -0.63 -0.50 0.93 0.00 0.00 0.00 179.25 178.96 1x02 h GLU 104 N -0.23 -0.46 -0.40 0.00 5.08 -1.85 -1.55 114.58 115.18 1x02 h GLU 104 Ca 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x02 h GLU 104 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1x02 h GLU 104 CO -0.10 -0.31 0.26 1.25 -1.00 0.00 0.00 179.01 179.11 1x02 h LEU 105 N -0.48 0.45 -0.79 1.33 6.46 -1.35 -2.99 115.31 117.95 1x02 h LEU 105 Ca 0.04 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.90 1x02 h LEU 105 Cb 0.60 -0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 40.29 1x02 h LEU 105 CO -0.45 0.33 -0.44 -0.09 -0.62 0.00 0.00 178.44 177.17 1x02 h ARG 106 N 0.54 -0.10 -0.42 1.25 2.43 0.29 -0.34 114.38 118.02 1x02 h ARG 106 Ca 0.14 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1x02 h ARG 106 Cb -0.06 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.42 1x02 h ARG 106 CO -0.03 -0.07 -0.44 1.25 -1.51 0.00 0.00 179.97 179.17 1x02 h HIS 107 N -0.11 -1.27 -0.59 2.20 2.76 -1.15 -1.54 115.15 115.44 1x02 h HIS 107 Ca 0.23 0.07 0.09 0.00 -2.20 0.00 0.00 60.37 58.57 1x02 h HIS 107 Cb 0.55 0.62 -0.11 0.00 1.55 0.00 0.00 27.41 30.01 1x02 h HIS 107 CO -0.82 -0.44 -0.41 0.28 -1.30 0.00 0.00 177.93 175.23 1x02 h VAL 108 N -0.32 0.10 -0.44 5.26 2.07 -1.09 -0.60 116.25 121.23 1x02 h VAL 108 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1x02 h VAL 108 Cb 0.58 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 1x02 h VAL 108 CO -0.58 0.00 -0.21 0.24 0.02 0.00 0.00 177.57 177.03 1x02 h MET 109 N -0.21 -0.12 -0.89 1.57 2.07 -0.72 -1.64 114.93 114.98 1x02 h MET 109 Ca 0.19 0.01 0.16 0.00 -2.07 0.00 0.00 59.70 57.99 1x02 h MET 109 Cb 0.56 0.03 -0.16 0.00 -1.87 0.00 0.00 31.60 30.16 1x02 h MET 109 CO -0.69 -0.08 -0.31 1.15 1.07 0.00 0.00 176.91 178.04 1x02 h THR 110 N -0.13 0.07 -0.76 2.22 2.02 -0.29 0.38 112.91 116.43 1x02 h THR 110 Ca 0.21 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.56 1x02 h THR 110 Cb 0.45 0.07 -0.12 0.00 -1.74 0.00 0.00 68.15 66.80 1x02 h THR 110 CO -0.52 0.00 0.11 0.78 0.37 0.00 0.00 175.52 176.27 1x02 h ASN 111 N -0.03 -0.14 -0.76 4.18 4.21 -1.05 -0.19 115.58 121.81 1x02 h ASN 111 Ca 0.37 0.17 0.29 0.00 1.21 0.00 0.00 56.30 58.34 1x02 h ASN 111 Cb 0.62 0.27 -0.14 0.00 -1.12 0.00 0.00 38.32 37.95 1x02 h ASN 111 CO -0.92 -0.11 0.30 0.18 -1.29 0.00 0.00 177.43 175.59 1x02 n LEU 112 N -5.24 0.17 0.00 1.61 4.77 0.13 -4.75 117.00 113.69 1x02 n LEU 112 Ca 0.15 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.39 1x02 n LEU 112 Cb 0.49 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1x02 n LEU 112 CO 0.09 -1.38 0.00 0.61 -1.33 0.00 0.00 177.39 175.38 1x02 n GLY 113 N -1.25 4.67 3.72 -0.72 0.00 -0.08 -5.13 105.19 106.40 1x02 n GLY 113 Ca 0.26 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 0.72 -0.31 1.61 0.41 -1.26 -5.04 118.70 114.84 1x02 s GLU 114 Ca 0.00 0.46 -0.01 0.00 -0.41 0.00 0.00 54.97 55.01 1x02 s GLU 114 Cb 0.00 -1.78 0.07 0.00 -1.78 0.00 0.00 34.13 30.64 1x02 s GLU 114 CO 0.00 -2.52 0.02 0.15 -0.49 0.00 0.00 175.26 172.42 1x02 s LYS 115 N -5.07 2.24 0.35 1.61 1.02 -1.26 -4.51 119.74 114.13 1x02 s LYS 115 Ca 0.65 -1.42 0.08 0.00 0.02 0.00 0.00 55.97 55.29 1x02 s LYS 115 Cb -0.17 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1x02 s LYS 115 CO 0.56 -0.71 0.15 -0.51 -0.92 0.00 0.00 175.35 173.92 1x02 s LEU 116 N 1.18 3.24 0.15 3.17 1.43 -1.26 -5.11 118.68 121.48 1x02 s LEU 116 Ca -0.02 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1x02 s LEU 116 Cb -0.20 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1x02 s LEU 116 CO -0.03 -0.33 0.02 0.42 0.23 0.00 0.00 176.35 176.66 1x02 s THR 117 N -2.45 0.40 0.25 5.49 -4.23 -1.26 -4.98 115.64 108.86 1x02 s THR 117 Ca 0.38 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1x02 s THR 117 Cb -0.02 -2.05 0.28 0.00 1.34 0.00 0.00 72.50 72.05 1x02 s THR 117 CO 0.23 -0.51 1.15 -0.67 -0.54 0.00 0.00 174.62 174.28 1x02 n ASP 118 N -0.15 0.12 0.20 3.99 2.03 -1.26 0.13 116.55 121.61 1x02 n ASP 118 Ca -0.07 1.22 -0.15 0.00 0.52 0.00 0.00 54.79 56.32 1x02 n ASP 118 Cb 0.63 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 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 -0.43 -0.08 -0.67 4.39 -1.98 0.28 114.58 116.08 1x02 h GLU 119 Ca 0.55 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.32 1x02 h GLU 119 Cb 1.35 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.05 1x02 h GLU 119 CO -0.61 -0.26 -0.25 0.93 -1.16 0.00 0.00 179.01 177.66 1x02 h GLU 120 N -0.50 -0.33 -0.84 2.33 4.39 0.74 -2.01 114.58 118.36 1x02 h GLU 120 Ca -0.05 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1x02 h GLU 120 Cb 0.38 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1x02 h GLU 120 CO 0.08 -0.22 0.46 0.28 -1.16 0.00 0.00 179.01 178.45 1x02 h VAL 121 N -0.34 1.25 -0.70 3.13 2.07 -1.27 -2.79 116.25 117.60 1x02 h VAL 121 Ca 0.09 -0.61 0.15 0.00 0.82 0.00 0.00 66.70 67.15 1x02 h VAL 121 Cb 0.47 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 1x02 h VAL 121 CO -0.28 0.27 0.02 0.44 0.02 0.00 0.00 177.57 178.05 1x02 h ASP 122 N 1.17 -0.29 -0.47 0.57 5.19 0.29 0.53 116.42 123.42 1x02 h ASP 122 Ca 0.30 0.18 0.09 0.00 -0.62 0.00 0.00 57.03 56.97 1x02 h ASP 122 Cb 0.03 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1x02 h ASP 122 CO -0.05 -0.14 0.32 -0.33 -3.12 0.00 0.00 179.24 175.92 1x02 h GLU 123 N 0.12 0.25 0.01 3.56 5.08 -1.17 -1.45 114.58 120.97 1x02 h GLU 123 Ca 0.38 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1x02 h GLU 123 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1x02 h GLU 123 CO -0.60 0.16 -0.00 1.98 -1.00 0.00 0.00 179.01 179.55 1x02 h MET 124 N 0.26 -0.01 -0.89 2.33 4.05 -0.08 -3.30 114.93 117.29 1x02 h MET 124 Ca 0.21 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.81 1x02 h MET 124 Cb 0.51 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.24 1x02 h MET 124 CO -0.04 0.83 0.58 0.82 0.23 0.00 0.00 176.91 179.32 1x02 h ILE 125 N -0.88 0.74 0.00 1.77 1.08 -0.48 0.58 117.51 120.33 1x02 h ILE 125 Ca -0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1x02 h ILE 125 Cb 0.84 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1x02 h ILE 125 CO 0.00 0.10 0.00 -2.11 -0.69 0.00 0.00 178.15 175.45 1x02 n ARG 126 N -4.54 0.79 -0.07 2.37 1.85 -0.59 -0.46 116.66 116.01 1x02 n ARG 126 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.89 1x02 n ARG 126 Cb 0.59 -1.03 -0.06 0.00 -1.05 0.00 0.00 32.46 30.92 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 -0.46 0.32 -0.07 2.89 0.00 0.20 -4.77 120.64 118.76 1x02 n GLU 127 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 57.16 57.15 1x02 n GLU 127 Cb 0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 31.44 30.22 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x02 n ALA 128 N -3.43 1.40 -1.55 4.31 0.00 -1.15 -4.86 120.51 115.23 1x02 n ALA 128 Ca -0.27 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 51.75 1x02 n ALA 128 Cb 0.72 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.03 2.46 -0.05 0.00 2.03 0.39 -4.80 116.55 113.55 1x02 n ASP 129 Ca -0.30 -0.21 -0.03 0.00 0.52 0.00 0.00 54.79 54.77 1x02 n ASP 129 Cb 1.08 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 39.95 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 7.53 0.00 -1.01 5.18 2.04 -1.86 -3.38 117.51 126.01 1x02 h ILE 130 Ca -0.28 -0.79 0.32 0.00 1.00 0.00 0.00 64.86 65.11 1x02 h ILE 130 Cb 1.27 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.20 1x02 h ILE 130 CO 1.11 0.00 0.58 -2.24 0.00 0.00 0.00 178.15 177.59 1x02 h ASP 131 N -0.79 0.51 -1.05 1.72 3.04 -1.92 -3.45 116.42 114.49 1x02 h ASP 131 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1x02 h ASP 131 Cb 0.32 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 1x02 h ASP 131 CO 0.00 -0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.68 1x02 n GLY 132 N -1.30 0.50 0.01 7.15 0.00 -1.26 -5.01 105.19 105.28 1x02 n GLY 132 Ca 0.32 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.46 1.58 -0.70 1.61 5.68 -1.26 -4.98 116.55 118.02 1x02 n ASP 133 Ca 0.00 -1.86 -0.07 0.00 -0.50 0.00 0.00 54.79 52.36 1x02 n ASP 133 Cb 0.27 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.44 0.41 3.24 6.12 0.00 -1.26 -5.03 105.19 108.23 1x02 n GLY 134 Ca 0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.66 1.05 -0.47 1.61 -0.21 -1.26 -3.42 119.66 113.31 1x02 s GLN 135 Ca 0.00 -1.46 0.06 0.00 0.02 0.00 0.00 55.36 53.98 1x02 s GLN 135 Cb 0.00 -0.51 0.21 0.00 1.00 0.00 0.00 33.01 33.72 1x02 s GLN 135 CO 0.00 0.02 0.49 0.28 -2.12 0.00 0.00 175.29 173.96 1x02 n VAL 136 N -0.20 -0.18 -0.18 1.09 0.31 -0.73 -4.45 118.33 114.00 1x02 n VAL 136 Ca -0.10 -4.08 -0.17 0.00 -0.01 0.00 0.00 64.34 59.98 1x02 n VAL 136 Cb 0.61 -1.90 0.17 0.00 -0.91 0.00 0.00 33.84 31.81 1x02 n VAL 136 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1x02 n ASN 137 N 1.86 -3.16 0.01 4.52 0.23 -1.26 -3.64 115.26 113.83 1x02 n ASN 137 Ca 0.25 -0.49 -0.11 0.00 -0.53 0.00 0.00 54.58 53.70 1x02 n ASN 137 Cb 0.48 -0.59 -0.05 0.00 -2.08 0.00 0.00 39.78 37.54 1x02 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1x02 h TYR 138 N -2.89 -0.95 0.03 -2.53 3.20 -1.98 0.24 116.97 112.08 1x02 h TYR 138 Ca -0.22 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.71 1x02 h TYR 138 Cb 0.75 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 1x02 h TYR 138 CO 0.00 -0.42 -0.22 1.49 -1.64 0.00 0.00 178.16 177.37 1x02 h GLU 139 N -0.43 -0.35 -0.55 1.82 4.81 -1.94 0.29 114.58 118.22 1x02 h GLU 139 Ca 0.09 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1x02 h GLU 139 Cb 0.57 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1x02 h GLU 139 CO -0.35 -0.23 0.37 0.93 -0.73 0.00 0.00 179.01 179.00 1x02 h GLU 140 N -0.36 0.30 -0.02 1.92 5.08 -1.74 -1.75 114.58 118.00 1x02 h GLU 140 Ca 0.05 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1x02 h GLU 140 Cb 0.43 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1x02 h GLU 140 CO -0.18 0.20 -0.51 0.35 -1.00 0.00 0.00 179.01 177.87 1x02 h PHE 141 N 0.31 0.56 -0.19 4.33 3.57 0.66 -3.28 116.94 122.90 1x02 h PHE 141 Ca 0.26 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1x02 h PHE 141 Cb 0.60 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1x02 h PHE 141 CO -0.00 1.09 -0.11 0.28 -2.23 0.00 0.00 178.31 177.34 1x02 h VAL 142 N -0.13 0.66 -0.56 1.41 2.07 0.35 -2.54 116.25 117.51 1x02 h VAL 142 Ca -0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1x02 h VAL 142 Cb 1.21 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 31.54 1x02 h VAL 142 CO 0.10 0.00 -0.33 1.56 0.02 0.00 0.00 177.57 178.92 1x02 h GLN 143 N -0.10 -0.17 -0.37 1.57 1.08 -1.47 -0.12 115.11 115.54 1x02 h GLN 143 Ca 0.11 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.40 1x02 h GLN 143 Cb 0.26 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 1x02 h GLN 143 CO -0.25 -0.11 -0.15 1.98 -0.95 0.00 0.00 178.83 179.34 1x02 h MET 144 N -0.18 -0.08 -0.83 1.46 4.05 -1.52 0.29 114.93 118.13 1x02 h MET 144 Ca 0.22 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.74 1x02 h MET 144 Cb 0.55 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 1x02 h MET 144 CO -0.66 -0.05 0.47 0.52 0.23 0.00 0.00 176.91 177.43 1x02 h MET 145 N -0.08 0.77 -1.10 0.39 2.86 -0.74 -2.00 114.93 115.03 1x02 h MET 145 Ca 0.18 -0.05 -0.65 0.00 -2.06 0.00 0.00 59.70 57.13 1x02 h MET 145 Cb 0.36 -0.17 -0.34 0.00 0.06 0.00 0.00 31.60 31.51 1x02 h MET 145 CO -0.42 0.51 0.32 0.25 1.06 0.00 0.00 176.91 178.63 1x02 n THR 146 N -4.74 3.24 -3.16 2.22 -2.24 -0.22 -4.86 114.28 104.52 1x02 n THR 146 Ca 0.14 -3.61 0.05 0.00 -2.27 0.00 0.00 64.05 58.36 1x02 n THR 146 Cb 0.28 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -3.78 -3.28 -1.95 6.98 0.00 0.87 -4.90 121.76 115.69 1x02 s ALA 147 Ca 0.58 1.51 0.16 0.00 0.00 0.00 0.00 51.96 54.21 1x02 s ALA 147 Cb 0.47 -2.44 0.12 0.00 0.00 0.00 0.00 23.12 21.27 1x02 s ALA 147 CO -0.06 -1.41 1.00 0.36 0.00 0.00 0.00 175.76 175.64