#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 -0.48 0.00 3.32 -2.08 -3.22 116.42 113.96 1x02 h ASP 2 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1x02 h ASP 2 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1x02 h ASP 2 CO 0.00 0.79 0.35 0.00 -1.72 0.00 0.00 179.24 178.65 1x02 n GLN 3 N -3.41 1.66 -2.70 3.56 1.13 -1.26 -4.22 117.38 112.15 1x02 n GLN 3 Ca 0.00 -1.49 -0.15 0.00 -1.94 0.00 0.00 57.00 53.43 1x02 n GLN 3 Cb 0.81 -1.58 0.01 0.00 0.11 0.00 0.00 30.24 29.59 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x02 n LEU 4 N -0.12 2.19 0.00 1.08 4.77 -1.22 -4.84 117.00 118.86 1x02 n LEU 4 Ca 0.29 -4.27 -0.14 0.00 -0.03 0.00 0.00 56.01 51.86 1x02 n LEU 4 Cb 0.93 0.24 0.11 0.00 -2.33 0.00 0.00 43.42 42.36 1x02 n LEU 4 CO 0.32 1.82 0.39 0.35 -1.33 0.00 0.00 177.39 178.94 1x02 n THR 5 N -0.12 0.00 -0.30 -5.08 -2.24 -1.26 -3.91 114.28 101.38 1x02 n THR 5 Ca 0.18 -0.41 0.25 0.00 -2.27 0.00 0.00 64.05 61.81 1x02 n THR 5 Cb 0.75 -1.57 0.43 0.00 -2.10 0.00 0.00 70.33 67.84 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x02 n GLU 6 N -2.59 -0.02 0.10 -0.78 -0.58 -1.26 0.14 120.64 115.65 1x02 n GLU 6 Ca 0.08 0.82 -0.12 0.00 -0.42 0.00 0.00 57.16 57.51 1x02 n GLU 6 Cb 0.28 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 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 -0.46 0.06 3.49 9.09 -1.98 -1.41 114.58 123.37 1x02 h GLU 7 Ca 0.57 0.03 -0.10 0.00 0.05 0.00 0.00 59.36 59.91 1x02 h GLU 7 Cb 1.80 0.10 0.01 0.00 -1.65 0.00 0.00 28.75 29.01 1x02 h GLU 7 CO -0.32 -0.31 -0.43 1.96 0.05 0.00 0.00 179.01 179.96 1x02 h GLN 8 N -0.48 0.19 -0.95 1.06 1.08 0.10 -3.30 115.11 112.81 1x02 h GLN 8 Ca 0.04 -0.28 0.30 0.00 -1.45 0.00 0.00 58.65 57.26 1x02 h GLN 8 Cb 0.52 0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 27.89 1x02 h GLN 8 CO -0.18 1.09 0.34 0.82 -0.95 0.00 0.00 178.83 179.95 1x02 h ILE 9 N -0.58 0.20 -0.54 2.54 2.04 -0.99 0.57 117.51 120.75 1x02 h ILE 9 Ca -0.07 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1x02 h ILE 9 Cb 1.29 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1x02 h ILE 9 CO 0.08 0.03 0.25 0.00 0.00 0.00 0.00 178.15 178.51 1x02 h ALA 10 N 1.88 0.70 0.55 1.87 0.00 -1.35 0.61 119.26 123.51 1x02 h ALA 10 Ca 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1x02 h ALA 10 Cb 1.49 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1x02 h ALA 10 CO -0.71 0.27 -0.26 0.93 0.00 0.00 0.00 179.25 179.47 1x02 h GLU 11 N 0.73 -0.71 -0.09 0.00 4.39 -0.03 -2.92 114.58 115.94 1x02 h GLU 11 Ca 0.18 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.96 1x02 h GLU 11 Cb 0.13 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1x02 h GLU 11 CO -0.02 -0.40 0.08 0.74 -1.16 0.00 0.00 179.01 178.24 1x02 h PHE 12 N -0.96 0.00 -0.17 4.33 0.04 -1.00 -2.71 116.94 116.47 1x02 h PHE 12 Ca -0.08 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.75 1x02 h PHE 12 Cb 0.63 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.72 1x02 h PHE 12 CO 0.00 0.00 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.15 1x02 h LYS 13 N 0.00 -0.38 -0.71 1.51 3.64 -0.67 -0.54 116.57 119.43 1x02 h LYS 13 Ca 0.04 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 1x02 h LYS 13 Cb 0.20 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1x02 h LYS 13 CO -0.00 -0.25 0.28 0.93 -2.27 0.00 0.00 179.45 178.13 1x02 h GLU 14 N -0.40 0.42 0.00 1.90 4.39 -1.51 0.79 114.58 120.18 1x02 h GLU 14 Ca 0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1x02 h GLU 14 Cb 0.56 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1x02 h GLU 14 CO -0.39 0.28 0.00 0.00 -1.16 0.00 0.00 179.01 177.74 1x02 n ALA 15 N -2.50 1.49 0.55 3.43 0.00 -0.55 -1.76 120.51 121.16 1x02 n ALA 15 Ca 0.12 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1x02 n ALA 15 Cb 0.36 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1x02 n ALA 15 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x02 n PHE 16 N -2.23 0.00 -0.02 0.00 7.35 0.17 -4.33 117.46 118.39 1x02 n PHE 16 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 1x02 n PHE 16 Cb 0.17 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.86 1x02 n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x02 n SER 17 N -0.63 1.05 0.00 -2.13 7.64 0.22 -3.35 113.62 116.43 1x02 n SER 17 Ca 0.04 0.39 -0.17 0.00 1.01 0.00 0.00 58.87 60.14 1x02 n SER 17 Cb 0.23 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.01 0.88 -0.15 -3.43 -0.00 -1.70 -3.29 115.31 107.62 1x02 h LEU 18 Ca -0.30 -0.61 -0.03 0.00 -0.00 0.00 0.00 57.88 56.94 1x02 h LEU 18 Cb 2.02 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 42.41 1x02 h LEU 18 CO 0.08 1.41 -0.03 -0.26 -0.00 0.00 0.00 178.44 179.64 1x02 h PHE 19 N 0.47 0.32 -0.67 0.17 0.04 -1.76 -3.38 116.94 112.13 1x02 h PHE 19 Ca -0.07 -0.07 -0.27 0.00 2.80 0.00 0.00 57.97 60.36 1x02 h PHE 19 Cb 1.48 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.51 1x02 h PHE 19 CO 0.09 0.56 0.70 0.34 -0.60 0.00 0.00 178.31 179.39 1x02 s ASP 20 N -5.86 5.03 0.07 2.17 2.15 -1.21 -4.64 116.67 114.39 1x02 s ASP 20 Ca -0.14 -0.70 -0.14 0.00 0.43 0.00 0.00 52.55 51.99 1x02 s ASP 20 Cb 0.06 -2.56 -0.23 0.00 -0.30 0.00 0.00 42.92 39.88 1x02 s ASP 20 CO 0.72 -2.86 1.19 0.11 -0.17 0.00 0.00 175.17 174.16 1x02 h LYS 21 N 11.27 0.69 -0.78 4.34 1.79 -1.82 -3.27 116.57 128.79 1x02 h LYS 21 Ca 0.10 -0.73 0.07 0.00 -2.18 0.00 0.00 60.65 57.91 1x02 h LYS 21 Cb 1.00 0.21 -0.06 0.00 -1.58 0.00 0.00 32.23 31.79 1x02 h LYS 21 CO 1.20 1.31 0.45 -0.44 -1.08 0.00 0.00 179.45 180.89 1x02 h ASP 22 N 0.36 0.68 -0.87 0.86 3.32 -1.91 -3.47 116.42 115.40 1x02 h ASP 22 Ca -0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1x02 h ASP 22 Cb 1.65 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1x02 h ASP 22 CO 0.20 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 1x02 n GLY 23 N -1.31 0.60 0.72 2.75 0.00 -1.23 -5.03 105.19 101.69 1x02 n GLY 23 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.17 1.29 0.00 1.61 5.75 -1.26 -5.06 116.55 118.71 1x02 n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1x02 n ASP 24 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 2.85 0.54 3.35 6.12 0.00 -1.26 -5.14 105.19 111.65 1x02 n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 0.00 -0.01 2.61 -4.23 -1.26 -3.96 115.64 108.25 1x02 s THR 26 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1x02 s THR 26 Cb 0.00 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1x02 s THR 26 CO 0.00 0.00 0.00 -0.63 -0.54 0.00 0.00 174.62 173.45 1x02 s ILE 27 N -4.07 0.05 0.34 2.99 1.01 -0.74 -4.47 121.20 116.30 1x02 s ILE 27 Ca 0.33 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.06 1x02 s ILE 27 Cb 0.04 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.38 1x02 s ILE 27 CO 0.11 0.05 0.16 0.28 0.00 0.00 0.00 174.94 175.55 1x02 s THR 28 N 0.40 0.39 0.38 2.92 -1.32 -1.26 -2.07 115.64 115.08 1x02 s THR 28 Ca -0.03 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 58.62 1x02 s THR 28 Cb -0.05 -2.48 0.38 0.00 -1.51 0.00 0.00 72.50 68.84 1x02 s THR 28 CO -0.01 0.00 1.74 0.71 -2.21 0.00 0.00 174.62 174.85 1x02 h THR 29 N 2.08 0.47 -0.36 5.08 1.35 -1.96 0.53 112.91 120.10 1x02 h THR 29 Ca -0.33 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1x02 h THR 29 Cb 1.25 0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 1x02 h THR 29 CO 0.52 0.07 0.18 0.50 -0.25 0.00 0.00 175.52 176.54 1x02 h LYS 30 N 0.40 0.51 0.03 4.72 1.63 -1.95 0.27 116.57 122.18 1x02 h LYS 30 Ca 0.64 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1x02 h LYS 30 Cb 1.57 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1x02 h LYS 30 CO -0.37 0.45 -0.02 0.93 -3.45 0.00 0.00 179.45 177.00 1x02 h GLU 31 N 0.45 -0.04 -1.00 1.90 5.08 -0.99 -2.95 114.58 117.03 1x02 h GLU 31 Ca 0.12 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.69 1x02 h GLU 31 Cb 0.10 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 1x02 h GLU 31 CO -0.02 -0.03 0.61 1.25 -1.00 0.00 0.00 179.01 179.83 1x02 h LEU 32 N -0.62 0.75 -1.13 1.33 5.85 -0.23 0.55 115.31 121.81 1x02 h LEU 32 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x02 h LEU 32 Cb 0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1x02 h LEU 32 CO 0.01 0.24 0.00 1.23 -0.34 0.00 0.00 178.44 179.58 1x02 h GLY 33 N 0.72 0.00 1.91 3.75 0.00 -0.58 0.20 103.07 109.07 1x02 h GLY 33 Ca 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.77 1x02 h GLY 33 CO -0.39 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.40 1x02 h THR 34 N 0.00 1.13 0.01 4.70 1.03 0.29 -3.16 112.91 116.90 1x02 h THR 34 Ca 0.00 -2.62 -0.38 0.00 -0.01 0.00 0.00 66.41 63.40 1x02 h THR 34 Cb 0.52 2.54 -0.07 0.00 -1.07 0.00 0.00 68.15 70.07 1x02 h THR 34 CO 0.00 0.64 -2.41 0.52 -0.01 0.00 0.00 175.52 174.26 1x02 n VAL 35 N -3.24 1.47 -0.34 0.00 0.31 -0.97 -4.09 118.33 111.47 1x02 n VAL 35 Ca 0.00 -0.68 -0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1x02 n VAL 35 Cb 0.82 -1.09 0.10 0.00 -0.91 0.00 0.00 33.84 32.76 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N 0.00 1.17 0.00 5.55 2.86 -0.75 -0.83 114.93 122.92 1x02 h MET 36 Ca -0.56 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1x02 h MET 36 Cb 2.03 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1x02 h MET 36 CO -0.04 0.77 0.00 0.07 1.06 0.00 0.00 176.91 178.78 1x02 h ARG 37 N 1.21 0.00 -0.10 1.72 -0.00 -1.76 -2.86 114.38 112.59 1x02 h ARG 37 Ca 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.25 1x02 h ARG 37 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.85 1x02 h ARG 37 CO -0.08 0.00 -0.27 0.77 -0.00 0.00 0.00 179.97 180.38 1x02 h SER 38 N 0.00 0.17 0.23 0.08 0.02 -1.29 -3.07 113.55 109.70 1x02 h SER 38 Ca 0.00 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.55 1x02 h SER 38 Cb 0.54 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.05 1x02 h SER 38 CO 0.00 0.45 -1.67 -0.07 -1.14 0.00 0.00 176.83 174.40 1x02 h LEU 39 N 0.16 0.66 0.00 5.07 3.38 -1.51 -3.48 115.31 119.59 1x02 h LEU 39 Ca 0.02 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1x02 h LEU 39 Cb 0.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x02 h LEU 39 CO 0.04 1.74 0.00 0.61 0.09 0.00 0.00 178.44 180.92 1x02 n GLY 40 N 1.81 0.60 0.13 0.83 0.00 -1.16 -4.99 105.19 102.42 1x02 n GLY 40 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 0.63 -4.21 1.61 1.13 -1.10 -5.00 117.38 110.43 1x02 n GLN 41 Ca 0.00 0.17 -0.33 0.00 -1.94 0.00 0.00 57.00 54.90 1x02 n GLN 41 Cb 0.00 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 28.78 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 -3.41 -0.13 -4.77 1.08 3.02 -1.26 -4.86 115.26 104.93 1x02 n ASN 42 Ca -0.47 -1.24 -0.40 0.00 -0.03 0.00 0.00 54.58 52.44 1x02 n ASN 42 Cb 0.97 -1.86 -0.03 0.00 -0.61 0.00 0.00 39.78 38.24 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x02 s PRO 43 N -7.24 4.42 0.72 3.52 0.04 -1.26 -5.03 135.00 130.17 1x02 s PRO 43 Ca 0.08 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1x02 s PRO 43 Cb -0.04 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1x02 s PRO 43 CO 0.98 -0.07 1.08 0.95 0.04 0.00 0.00 177.00 179.98 1x02 s THR 44 N -1.18 3.67 0.17 1.26 -4.23 -1.26 -4.71 115.64 109.36 1x02 s THR 44 Ca 0.48 0.54 -0.26 0.00 -1.18 0.00 0.00 61.69 61.27 1x02 s THR 44 Cb -0.36 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.12 1x02 s THR 44 CO 0.47 -0.71 1.55 -0.33 -0.54 0.00 0.00 174.62 175.07 1x02 h GLU 45 N -0.76 -0.14 -1.02 3.99 5.08 -1.99 0.56 114.58 120.30 1x02 h GLU 45 Ca -0.45 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.17 1x02 h GLU 45 Cb 1.24 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 1x02 h GLU 45 CO 0.60 -0.09 0.63 0.00 -1.00 0.00 0.00 179.01 179.15 1x02 h ALA 46 N 0.66 1.95 0.28 3.43 0.00 -1.99 0.18 119.26 123.78 1x02 h ALA 46 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1x02 h ALA 46 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x02 h ALA 46 CO -0.80 -0.39 -0.14 0.93 0.00 0.00 0.00 179.25 178.84 1x02 h GLU 47 N 0.52 -0.37 -0.39 0.00 4.39 -0.30 -1.70 114.58 116.74 1x02 h GLU 47 Ca 0.62 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.39 1x02 h GLU 47 Cb 1.32 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.01 1x02 h GLU 47 CO -0.40 -0.05 0.15 -0.07 -1.16 0.00 0.00 179.01 177.48 1x02 h LEU 48 N -0.73 0.17 -0.53 1.33 3.38 0.04 -0.96 115.31 118.02 1x02 h LEU 48 Ca -0.04 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1x02 h LEU 48 Cb 0.49 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1x02 h LEU 48 CO 0.06 0.13 0.28 1.56 0.09 0.00 0.00 178.44 180.57 1x02 h GLN 49 N 0.31 0.53 -0.82 1.13 1.08 -0.71 0.24 115.11 116.87 1x02 h GLN 49 Ca 0.18 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1x02 h GLN 49 Cb 0.15 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1x02 h GLN 49 CO -0.17 0.35 0.48 -0.44 -0.95 0.00 0.00 178.83 178.09 1x02 h ASP 50 N 0.54 0.99 -0.27 1.46 3.32 -0.76 0.95 116.42 122.65 1x02 h ASP 50 Ca 0.23 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 1x02 h ASP 50 Cb 0.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1x02 h ASP 50 CO -0.15 0.78 -0.42 0.24 -1.72 0.00 0.00 179.24 177.97 1x02 h MET 51 N 1.12 0.83 -0.22 3.56 2.86 -0.53 -1.38 114.93 121.17 1x02 h MET 51 Ca 0.29 -0.45 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1x02 h MET 51 Cb -0.02 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1x02 h MET 51 CO -0.05 1.08 -0.05 0.82 1.06 0.00 0.00 176.91 179.77 1x02 h ILE 52 N 0.67 1.28 -0.44 -1.22 2.04 -0.18 -2.75 117.51 116.92 1x02 h ILE 52 Ca 0.05 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 1x02 h ILE 52 Cb 0.99 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1x02 h ILE 52 CO 0.10 0.32 -0.06 0.78 0.00 0.00 0.00 178.15 179.28 1x02 h ASN 53 N 0.14 0.73 -1.00 1.72 2.35 -0.83 0.42 115.58 119.11 1x02 h ASN 53 Ca 0.06 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1x02 h ASN 53 Cb 0.50 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1x02 h ASN 53 CO 0.02 0.83 0.66 -0.33 -1.65 0.00 0.00 177.43 176.97 1x02 h GLU 54 N 0.69 1.31 0.08 0.81 4.39 -1.17 -2.87 114.58 117.82 1x02 h GLU 54 Ca 0.13 -0.08 -0.30 0.00 0.34 0.00 0.00 59.36 59.45 1x02 h GLU 54 Cb 0.51 -0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1x02 h GLU 54 CO 0.03 0.87 -1.59 0.28 -1.16 0.00 0.00 179.01 177.43 1x02 h VAL 55 N 1.35 1.05 -1.49 3.13 2.07 -1.22 -3.46 116.25 117.69 1x02 h VAL 55 Ca 0.37 -2.76 -0.70 0.00 0.82 0.00 0.00 66.70 64.43 1x02 h VAL 55 Cb -0.15 2.65 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1x02 h VAL 55 CO -0.08 0.76 1.09 -0.67 0.02 0.00 0.00 177.57 178.69 1x02 n ASP 56 N -3.35 2.50 -0.02 0.57 2.03 0.14 -4.82 116.55 113.62 1x02 n ASP 56 Ca -0.17 0.88 -0.06 0.00 0.52 0.00 0.00 54.79 55.96 1x02 n ASP 56 Cb 1.04 -1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 2.49 -0.34 -1.67 0.00 -1.26 -4.71 120.51 121.86 1x02 n ALA 57 Ca 0.30 -0.26 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1x02 n ALA 57 Cb 0.18 0.32 0.37 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.26 -0.29 0.00 0.00 2.03 -1.96 -3.45 116.42 112.48 1x02 h ASP 58 Ca -0.12 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1x02 h ASP 58 Cb 0.82 0.44 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1x02 h ASP 58 CO -0.07 -0.38 0.00 0.61 -1.03 0.00 0.00 179.24 178.36 1x02 n GLY 59 N -1.44 1.12 0.58 7.15 0.00 -1.26 -5.05 105.19 106.29 1x02 n GLY 59 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 1.34 0.00 1.61 6.94 -1.26 -5.08 115.26 118.80 1x02 n ASN 60 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 1x02 n ASN 60 Cb 0.00 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 2.78 3.34 3.74 4.83 0.00 -1.26 -5.11 105.19 113.51 1x02 n GLY 61 Ca -0.12 -0.52 -0.40 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 4.86 0.58 2.61 -4.23 -1.26 -4.61 115.64 113.58 1x02 s THR 62 Ca 0.00 1.52 -0.19 0.00 -1.18 0.00 0.00 61.69 61.84 1x02 s THR 62 Cb 0.00 -4.07 -0.06 0.00 1.34 0.00 0.00 72.50 69.71 1x02 s THR 62 CO 0.00 0.34 0.88 -0.38 -0.54 0.00 0.00 174.62 174.92 1x02 n ILE 63 N 3.10 3.28 -4.06 2.99 -0.00 -0.88 -4.67 119.36 119.12 1x02 n ILE 63 Ca -0.03 -0.50 -0.16 0.00 -0.00 0.00 0.00 62.75 62.06 1x02 n ILE 63 Cb 0.51 -1.05 -0.02 0.00 -0.00 0.00 0.00 39.64 39.07 1x02 n ILE 63 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1x02 n ASP 64 N -0.38 2.35 0.01 4.38 8.00 -1.26 -1.79 116.55 127.86 1x02 n ASP 64 Ca 0.13 -2.11 -0.12 0.00 0.71 0.00 0.00 54.79 53.40 1x02 n ASP 64 Cb 0.46 0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.87 0.05 0.05 1.24 3.04 -1.96 0.14 116.94 120.37 1x02 h PHE 65 Ca -0.21 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.74 1x02 h PHE 65 Cb 0.69 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1x02 h PHE 65 CO 0.00 0.14 -0.02 -1.00 -2.02 0.00 0.00 178.31 175.41 1x02 h PRO 66 N -0.05 -0.06 -0.43 6.41 0.13 -1.96 -3.21 132.00 132.82 1x02 h PRO 66 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1x02 h PRO 66 Cb 0.11 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.21 1x02 h PRO 66 CO -0.00 0.41 0.20 0.93 -0.23 0.00 0.00 178.00 179.31 1x02 h GLU 67 N -0.55 0.40 -0.76 0.86 5.08 -1.88 -2.41 114.58 115.30 1x02 h GLU 67 Ca -0.01 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1x02 h GLU 67 Cb 0.49 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.53 1x02 h GLU 67 CO 0.01 0.26 0.07 0.35 -1.00 0.00 0.00 179.01 178.70 1x02 h PHE 68 N 0.41 0.06 -1.25 4.33 3.57 -1.02 0.51 116.94 123.54 1x02 h PHE 68 Ca 0.19 0.05 0.36 0.00 3.53 0.00 0.00 57.97 62.11 1x02 h PHE 68 Cb 0.12 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1x02 h PHE 68 CO -0.11 -0.21 0.89 -0.07 -2.23 0.00 0.00 178.31 176.58 1x02 h LEU 69 N 0.15 0.06 -0.18 0.59 3.38 -1.43 0.24 115.31 118.11 1x02 h LEU 69 Ca 0.43 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 1x02 h LEU 69 Cb 0.77 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1x02 h LEU 69 CO -0.63 0.00 0.04 0.74 0.09 0.00 0.00 178.44 178.68 1x02 h THR 70 N 0.05 1.21 0.73 0.22 2.02 -0.06 -3.19 112.91 113.88 1x02 h THR 70 Ca 0.61 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1x02 h THR 70 Cb 2.34 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1x02 h THR 70 CO -0.05 0.21 -0.35 -0.03 0.37 0.00 0.00 175.52 175.66 1x02 h MET 71 N 0.10 -0.94 -0.70 6.66 1.85 -0.58 -2.43 114.93 118.89 1x02 h MET 71 Ca 0.06 0.06 0.20 0.00 -0.61 0.00 0.00 59.70 59.41 1x02 h MET 71 Cb 0.28 0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 1x02 h MET 71 CO 0.00 -0.61 1.12 -1.33 -0.40 0.00 0.00 176.91 175.69 1x02 n MET 72 N -5.47 0.02 -0.05 0.39 2.00 -0.92 0.14 117.12 113.22 1x02 n MET 72 Ca -0.14 0.96 -0.17 0.00 0.00 0.00 0.00 57.70 58.35 1x02 n MET 72 Cb 0.40 -2.45 -0.13 0.00 0.00 0.00 0.00 33.22 31.04 1x02 n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x02 h ALA 73 N 0.35 0.05 0.04 3.04 0.00 -1.42 -3.20 119.26 118.11 1x02 h ALA 73 Ca 0.33 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1x02 h ALA 73 Cb 2.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.55 1x02 h ALA 73 CO -0.00 0.28 -1.02 0.00 0.00 0.00 0.00 179.25 178.51 1x02 h ARG 74 N -0.82 0.34 0.00 0.00 3.08 0.14 -3.11 114.38 114.01 1x02 h ARG 74 Ca -0.12 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1x02 h ARG 74 Cb 1.24 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1x02 h ARG 74 CO -0.01 1.12 0.00 1.17 -1.07 0.00 0.00 179.97 181.18 1x02 n LYS 75 N -3.67 0.18 0.12 0.04 3.00 0.28 -2.15 118.16 115.96 1x02 n LYS 75 Ca -0.07 0.47 -0.02 0.00 -0.00 0.00 0.00 58.31 58.69 1x02 n LYS 75 Cb 0.88 -1.89 0.19 0.00 0.00 0.00 0.00 35.03 34.22 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 0.13 0.03 1.64 2.86 -1.53 -3.16 114.93 114.91 1x02 h MET 76 Ca 0.00 -0.08 -0.29 0.00 -2.06 0.00 0.00 59.70 57.27 1x02 h MET 76 Cb 0.28 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1x02 h MET 76 CO 0.00 0.63 -1.64 1.57 1.06 0.00 0.00 176.91 178.53 1x02 h LYS 77 N 0.10 0.07 -0.66 1.72 5.09 -1.59 -3.32 116.57 117.98 1x02 h LYS 77 Ca -0.00 -0.12 0.15 0.00 0.09 0.00 0.00 60.65 60.76 1x02 h LYS 77 Cb 0.98 0.04 -0.04 0.00 0.10 0.00 0.00 32.23 33.31 1x02 h LYS 77 CO 0.08 0.74 0.45 -0.44 -2.09 0.00 0.00 179.45 178.19 1x02 h ASP 78 N 0.02 0.25 1.55 7.07 5.19 -1.48 0.25 116.42 129.27 1x02 h ASP 78 Ca -0.27 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1x02 h ASP 78 Cb 1.99 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.46 1x02 h ASP 78 CO 0.10 0.13 -0.34 0.74 -3.12 0.00 0.00 179.24 176.75 1x02 h THR 79 N 0.27 0.00 -1.63 0.35 2.02 -1.67 -3.33 112.91 108.91 1x02 h THR 79 Ca 0.32 -0.89 0.50 0.00 0.77 0.00 0.00 66.41 67.11 1x02 h THR 79 Cb 0.88 1.71 -0.10 0.00 -1.74 0.00 0.00 68.15 68.89 1x02 h THR 79 CO -0.07 0.00 1.12 -0.78 0.37 0.00 0.00 175.52 176.16 1x02 h ASP 80 N 0.00 0.11 -1.81 4.18 1.82 -0.59 0.16 116.42 120.29 1x02 h ASP 80 Ca 0.00 0.07 0.52 0.00 -0.39 0.00 0.00 57.03 57.24 1x02 h ASP 80 Cb 0.94 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 40.95 1x02 h ASP 80 CO 0.00 -0.11 1.31 -1.20 -1.61 0.00 0.00 179.24 177.63 1x02 n SER 81 N -4.33 0.00 -0.25 2.28 7.64 -1.25 -1.29 113.62 116.41 1x02 n SER 81 Ca 0.41 0.91 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1x02 n SER 81 Cb 1.72 -0.45 0.04 0.00 -1.01 0.00 0.00 64.21 64.51 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 -3.75 -0.14 0.10 1.43 2.13 0.55 0.11 120.64 121.07 1x02 n GLU 82 Ca 0.41 1.02 -0.12 0.00 0.66 0.00 0.00 57.16 59.12 1x02 n GLU 82 Cb 1.85 -1.51 -0.06 0.00 0.27 0.00 0.00 31.44 31.99 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 -0.32 -1.54 5.31 5.08 -1.47 -1.55 114.58 120.08 1x02 h GLU 83 Ca 0.24 0.02 0.45 0.00 -1.00 0.00 0.00 59.36 59.07 1x02 h GLU 83 Cb 0.41 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1x02 h GLU 83 CO -0.66 -0.21 1.31 0.39 -1.00 0.00 0.00 179.01 178.83 1x02 n GLU 84 N -5.29 0.01 0.03 2.33 -0.58 0.30 0.24 120.64 117.67 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 0.21 -2.45 -0.14 0.00 -0.57 0.00 0.00 31.44 28.49 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 0.87 -0.95 -3.67 2.04 -1.05 -3.39 117.51 111.36 1x02 h ILE 85 Ca 0.73 -2.57 0.11 0.00 1.00 0.00 0.00 64.86 64.13 1x02 h ILE 85 Cb 3.34 2.61 -0.13 0.00 -0.74 0.00 0.00 36.82 41.90 1x02 h ILE 85 CO -0.01 0.80 -0.53 0.03 0.00 0.00 0.00 178.15 178.44 1x02 h ARG 86 N 0.06 -0.03 -0.78 2.37 2.47 0.35 0.15 114.38 118.97 1x02 h ARG 86 Ca -0.33 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.53 1x02 h ARG 86 Cb 2.04 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 30.22 1x02 h ARG 86 CO 0.12 -0.02 -0.25 0.39 0.56 0.00 0.00 179.97 180.78 1x02 n GLU 87 N -5.33 -0.12 -0.07 0.04 -0.58 -1.19 0.11 120.64 113.50 1x02 n GLU 87 Ca 0.04 1.21 -0.07 0.00 -0.42 0.00 0.00 57.16 57.92 1x02 n GLU 87 Cb 0.31 -1.81 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 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 1.34 0.22 -0.82 0.62 0.00 -0.94 -1.92 119.26 117.76 1x02 h ALA 88 Ca 0.33 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 88 Cb 0.52 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 1x02 h ALA 88 CO -0.79 -0.43 0.38 0.35 0.00 0.00 0.00 179.25 178.75 1x02 h PHE 89 N 0.05 0.65 0.08 0.00 3.57 0.10 -1.65 116.94 119.75 1x02 h PHE 89 Ca 0.13 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1x02 h PHE 89 Cb 0.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1x02 h PHE 89 CO -0.23 0.10 -0.14 0.00 -2.23 0.00 0.00 178.31 175.81 1x02 h ARG 90 N 0.52 -0.27 -0.67 1.11 3.08 -0.56 -1.77 114.38 115.82 1x02 h ARG 90 Ca 0.46 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.64 1x02 h ARG 90 Cb 0.70 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.69 1x02 h ARG 90 CO -0.40 -0.18 -0.35 0.28 -1.07 0.00 0.00 179.97 178.24 1x02 h VAL 91 N -0.28 0.13 -0.20 2.04 2.07 -0.95 -0.30 116.25 118.76 1x02 h VAL 91 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1x02 h VAL 91 Cb 0.30 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1x02 h VAL 91 CO -0.08 0.00 0.07 -0.26 0.02 0.00 0.00 177.57 177.32 1x02 h PHE 92 N -0.13 0.12 -1.54 1.57 -1.00 -1.30 -3.37 116.94 111.28 1x02 h PHE 92 Ca 0.25 0.01 -0.42 0.00 2.81 0.00 0.00 57.97 60.62 1x02 h PHE 92 Cb 0.56 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 1x02 h PHE 92 CO -0.69 0.06 1.18 0.34 -1.61 0.00 0.00 178.31 177.59 1x02 s ASP 93 N -5.30 5.02 -0.01 2.17 2.15 -0.12 -4.30 116.67 116.29 1x02 s ASP 93 Ca -0.13 0.21 -0.14 0.00 0.43 0.00 0.00 52.55 52.92 1x02 s ASP 93 Cb 0.09 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1x02 s ASP 93 CO 0.69 -2.63 0.78 0.11 -0.17 0.00 0.00 175.17 173.94 1x02 h LYS 94 N 14.76 -0.50 -0.78 4.34 1.57 -1.75 -3.28 116.57 130.93 1x02 h LYS 94 Ca -0.16 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1x02 h LYS 94 Cb 1.13 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 1x02 h LYS 94 CO 1.19 -0.33 0.34 0.38 -0.57 0.00 0.00 179.45 180.47 1x02 h ASP 95 N -0.81 0.37 -1.07 0.86 2.03 -1.94 -3.46 116.42 112.39 1x02 h ASP 95 Ca -0.05 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1x02 h ASP 95 Cb 0.40 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1x02 h ASP 95 CO 0.09 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.06 1x02 n GLY 96 N -1.32 0.72 0.19 7.15 0.00 -1.24 -5.02 105.19 105.67 1x02 n GLY 96 Ca 0.15 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 0.18 2.02 0.00 1.61 6.94 -1.26 -5.05 115.26 119.70 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 0.36 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 2.08 2.67 3.80 4.83 0.00 -1.26 -5.13 105.19 112.19 1x02 n GLY 98 Ca -0.41 -0.30 -0.36 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 3.50 -0.58 1.61 1.51 -1.26 -3.46 117.35 118.66 1x02 s TYR 99 Ca 0.00 0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 56.31 1x02 s TYR 99 Cb 0.00 -2.05 0.13 0.00 -0.11 0.00 0.00 41.96 39.93 1x02 s TYR 99 CO 0.00 0.51 0.59 0.42 -1.11 0.00 0.00 175.55 175.95 1x02 s ILE 100 N -0.33 5.12 1.05 2.71 1.01 -1.05 -4.85 121.20 124.85 1x02 s ILE 100 Ca 0.11 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.22 1x02 s ILE 100 Cb -0.12 -4.40 0.22 0.00 0.01 0.00 0.00 42.46 38.17 1x02 s ILE 100 CO 0.01 -0.97 1.07 -0.94 0.00 0.00 0.00 174.94 174.11 1x02 s SER 101 N 3.52 2.03 0.18 3.58 1.04 -1.26 -1.41 113.70 121.37 1x02 s SER 101 Ca 0.07 1.50 -0.12 0.00 0.48 0.00 0.00 55.95 57.87 1x02 s SER 101 Cb -0.27 -2.19 0.09 0.00 0.10 0.00 0.00 66.02 63.75 1x02 s SER 101 CO 0.03 -3.55 1.80 0.00 0.98 0.00 0.00 173.24 172.50 1x02 h ALA 102 N -2.17 0.78 -0.07 5.32 0.00 -1.97 -2.22 119.26 118.92 1x02 h ALA 102 Ca -0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1x02 h ALA 102 Cb 1.32 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x02 h ALA 102 CO 0.52 0.29 0.02 0.00 0.00 0.00 0.00 179.25 180.08 1x02 h ALA 103 N 1.16 0.09 -0.02 0.00 0.00 -1.93 0.37 119.26 118.92 1x02 h ALA 103 Ca 0.21 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1x02 h ALA 103 Cb 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1x02 h ALA 103 CO -0.04 -0.31 -0.36 0.93 0.00 0.00 0.00 179.25 179.48 1x02 h GLU 104 N -0.08 -0.48 -0.28 0.00 5.08 -1.87 -1.89 114.58 115.06 1x02 h GLU 104 Ca 0.02 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1x02 h GLU 104 Cb 0.20 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x02 h GLU 104 CO -0.00 -0.32 0.01 1.25 -1.00 0.00 0.00 179.01 178.95 1x02 h LEU 105 N -0.50 0.47 -0.83 1.33 6.46 -1.40 -3.11 115.31 117.74 1x02 h LEU 105 Ca 0.06 -0.30 0.15 0.00 -0.12 0.00 0.00 57.88 57.68 1x02 h LEU 105 Cb 0.59 -0.13 -0.15 0.00 -0.73 0.00 0.00 40.66 40.25 1x02 h LEU 105 CO -0.30 0.65 -0.28 -0.09 -0.62 0.00 0.00 178.44 177.80 1x02 h ARG 106 N 0.27 -0.04 -0.08 1.25 2.43 0.10 0.13 114.38 118.45 1x02 h ARG 106 Ca 0.08 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1x02 h ARG 106 Cb 0.40 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1x02 h ARG 106 CO 0.01 -0.02 -0.07 1.25 -1.51 0.00 0.00 179.97 179.63 1x02 h HIS 107 N -0.04 -0.17 -0.22 2.20 2.76 -1.31 -2.75 115.15 115.62 1x02 h HIS 107 Ca 0.35 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 1x02 h HIS 107 Cb 0.60 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 1x02 h HIS 107 CO -0.71 -0.11 -0.35 0.28 -1.30 0.00 0.00 177.93 175.74 1x02 h VAL 108 N -0.09 0.23 -0.82 5.26 2.07 -0.75 -1.10 116.25 121.05 1x02 h VAL 108 Ca 0.06 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.78 1x02 h VAL 108 Cb 0.17 0.23 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 1x02 h VAL 108 CO -0.13 0.00 0.17 0.24 0.02 0.00 0.00 177.57 177.87 1x02 h MET 109 N -0.37 0.20 -0.14 1.57 2.07 -0.98 -1.12 114.93 116.17 1x02 h MET 109 Ca 0.12 -0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.78 1x02 h MET 109 Cb 0.56 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.18 1x02 h MET 109 CO -0.43 0.13 -0.39 1.15 1.07 0.00 0.00 176.91 178.44 1x02 h THR 110 N 0.21 0.18 -0.87 2.22 2.02 -0.92 -1.74 112.91 114.01 1x02 h THR 110 Ca 0.49 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.85 1x02 h THR 110 Cb 0.92 0.18 -0.16 0.00 -1.74 0.00 0.00 68.15 67.34 1x02 h THR 110 CO -0.62 0.00 -0.17 0.59 0.37 0.00 0.00 175.52 175.69 1x02 n ASN 111 N -5.43 -0.27 -0.31 4.18 3.02 -0.43 0.84 115.26 116.86 1x02 n ASN 111 Ca -0.04 1.49 0.18 0.00 -0.03 0.00 0.00 54.58 56.19 1x02 n ASN 111 Cb 0.35 -0.47 0.34 0.00 -0.61 0.00 0.00 39.78 39.40 1x02 n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x02 n LEU 112 N -5.39 0.01 0.00 3.41 4.77 -0.65 -4.69 117.00 114.46 1x02 n LEU 112 Ca 0.15 1.56 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1x02 n LEU 112 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1x02 n LEU 112 CO -0.10 -1.62 0.00 0.61 -1.33 0.00 0.00 177.39 174.95 1x02 n GLY 113 N -1.40 0.29 3.43 -0.72 0.00 0.25 -5.17 105.19 101.86 1x02 n GLY 113 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 1.26 -0.34 1.61 0.41 -0.96 -5.10 118.70 115.58 1x02 s GLU 114 Ca 0.00 -1.01 0.03 0.00 -0.41 0.00 0.00 54.97 53.58 1x02 s GLU 114 Cb 0.00 0.45 0.10 0.00 -1.78 0.00 0.00 34.13 32.89 1x02 s GLU 114 CO 0.00 -0.50 0.06 0.15 -0.49 0.00 0.00 175.26 174.48 1x02 s LYS 115 N -3.92 1.68 0.24 1.61 1.02 -1.26 -4.23 119.74 114.89 1x02 s LYS 115 Ca 0.13 -1.79 0.06 0.00 0.02 0.00 0.00 55.97 54.39 1x02 s LYS 115 Cb 0.01 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1x02 s LYS 115 CO -0.02 -0.91 0.27 -0.51 -0.92 0.00 0.00 175.35 173.26 1x02 s LEU 116 N 0.97 4.04 0.27 3.17 1.43 -1.26 -5.12 118.68 122.18 1x02 s LEU 116 Ca 0.08 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1x02 s LEU 116 Cb -0.20 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1x02 s LEU 116 CO -0.07 -0.05 -0.15 0.42 0.23 0.00 0.00 176.35 176.74 1x02 s THR 117 N -2.06 2.11 0.25 5.49 -4.23 -1.26 -4.98 115.64 110.97 1x02 s THR 117 Ca 0.33 -2.28 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1x02 s THR 117 Cb -0.08 -2.30 0.29 0.00 1.34 0.00 0.00 72.50 71.74 1x02 s THR 117 CO 0.27 -0.41 1.17 0.47 -0.54 0.00 0.00 174.62 175.57 1x02 n ASP 118 N -0.57 0.09 0.38 3.99 9.92 -1.26 0.65 116.55 129.76 1x02 n ASP 118 Ca -0.06 1.25 -0.18 0.00 -0.53 0.00 0.00 54.79 55.26 1x02 n ASP 118 Cb 0.61 -0.53 -0.09 0.00 -0.64 0.00 0.00 41.12 40.47 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1x02 h GLU 119 N 0.00 -0.99 -0.34 -1.24 4.39 -1.99 0.28 114.58 114.69 1x02 h GLU 119 Ca 0.55 0.07 0.07 0.00 0.34 0.00 0.00 59.36 60.39 1x02 h GLU 119 Cb 1.32 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 30.11 1x02 h GLU 119 CO -0.63 -0.66 -0.25 0.93 -1.16 0.00 0.00 179.01 177.23 1x02 h GLU 120 N -1.03 -0.21 -0.72 2.33 4.39 -0.17 -1.17 114.58 118.01 1x02 h GLU 120 Ca -0.09 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 120 Cb 0.82 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 1x02 h GLU 120 CO 0.10 -0.14 0.48 0.28 -1.16 0.00 0.00 179.01 178.57 1x02 h VAL 121 N -0.21 1.18 -0.70 3.13 2.07 -1.25 -2.61 116.25 117.86 1x02 h VAL 121 Ca 0.17 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.51 1x02 h VAL 121 Cb 0.48 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 1x02 h VAL 121 CO -0.46 0.18 0.10 0.44 0.02 0.00 0.00 177.57 177.84 1x02 h ASP 122 N 0.97 -0.12 -0.04 0.57 3.32 0.78 0.46 116.42 122.37 1x02 h ASP 122 Ca 0.27 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1x02 h ASP 122 Cb -0.11 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1x02 h ASP 122 CO -0.06 -0.08 0.02 -0.33 -1.72 0.00 0.00 179.24 177.08 1x02 h GLU 123 N 0.20 0.04 -0.00 3.56 5.08 -1.02 -2.28 114.58 120.16 1x02 h GLU 123 Ca 0.38 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1x02 h GLU 123 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1x02 h GLU 123 CO -0.53 0.03 -0.11 1.98 -1.00 0.00 0.00 179.01 179.38 1x02 h MET 124 N 0.04 0.08 -0.63 2.33 4.05 -0.11 -3.29 114.93 117.41 1x02 h MET 124 Ca 0.01 -0.08 0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1x02 h MET 124 Cb 0.00 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 30.74 1x02 h MET 124 CO -0.00 0.85 0.18 0.82 0.23 0.00 0.00 176.91 178.98 1x02 h ILE 125 N -0.66 0.67 0.00 1.77 1.08 -0.67 0.53 117.51 120.24 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 0.89 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 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 -5.08 0.03 -0.08 2.37 1.85 -0.89 0.85 116.66 115.71 1x02 n ARG 126 Ca 0.10 0.33 -0.13 0.00 -1.00 0.00 0.00 57.85 57.16 1x02 n ARG 126 Cb 0.33 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.16 1x02 n ARG 126 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1x02 h GLU 127 N 0.00 0.00 0.16 2.89 4.81 0.01 -3.41 114.58 119.04 1x02 h GLU 127 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1x02 h GLU 127 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1x02 h GLU 127 CO 0.00 0.58 -1.77 0.00 -0.73 0.00 0.00 179.01 177.09 1x02 h ALA 128 N -0.63 0.23 -1.54 2.92 0.00 -1.29 -3.46 119.26 115.49 1x02 h ALA 128 Ca -0.14 -1.20 -0.61 0.00 0.00 0.00 0.00 54.91 52.95 1x02 h ALA 128 Cb 0.85 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1x02 h ALA 128 CO -0.09 1.07 1.48 -3.47 0.00 0.00 0.00 179.25 178.24 1x02 n ASP 129 N -3.62 2.66 -0.04 0.00 -0.08 0.25 -4.71 116.55 111.01 1x02 n ASP 129 Ca -0.27 0.23 -0.02 0.00 -1.51 0.00 0.00 54.79 53.23 1x02 n ASP 129 Cb 1.04 -1.43 -0.01 0.00 2.34 0.00 0.00 41.12 43.07 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 7.19 0.00 -0.55 5.18 1.08 -1.85 -3.39 117.51 125.17 1x02 h ILE 130 Ca -0.33 -0.76 0.07 0.00 -0.39 0.00 0.00 64.86 63.45 1x02 h ILE 130 Cb 1.28 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 1x02 h ILE 130 CO 1.01 0.00 0.22 -2.24 -0.69 0.00 0.00 178.15 176.45 1x02 h ASP 131 N -0.76 0.25 0.00 1.72 2.03 -1.94 -3.47 116.42 114.25 1x02 h ASP 131 Ca 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1x02 h ASP 131 Cb 0.17 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1x02 h ASP 131 CO 0.00 0.17 0.00 0.61 -1.03 0.00 0.00 179.24 178.99 1x02 n GLY 132 N -1.27 0.79 1.13 7.15 0.00 -1.26 -5.02 105.19 106.72 1x02 n GLY 132 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 4.07 -1.78 1.61 5.68 -1.26 -4.94 116.55 119.93 1x02 n ASP 133 Ca 0.00 -2.55 -0.14 0.00 -0.50 0.00 0.00 54.79 51.60 1x02 n ASP 133 Cb 0.00 -0.48 0.01 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.40 -0.12 3.13 6.12 0.00 -1.26 -5.01 105.19 108.44 1x02 n GLY 134 Ca 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.99 0.82 -0.48 1.61 -0.21 -1.26 -3.84 119.66 111.30 1x02 s GLN 135 Ca 0.11 -1.34 0.04 0.00 0.02 0.00 0.00 55.36 54.18 1x02 s GLN 135 Cb -0.05 0.24 0.17 0.00 1.00 0.00 0.00 33.01 34.37 1x02 s GLN 135 CO 0.13 -0.21 0.37 0.08 -2.12 0.00 0.00 175.29 173.54 1x02 s VAL 136 N -4.00 0.96 1.31 1.09 1.01 -0.50 -4.22 120.40 116.05 1x02 s VAL 136 Ca 0.17 -2.98 -0.21 0.00 0.00 0.00 0.00 61.98 58.96 1x02 s VAL 136 Cb 0.07 -1.66 0.33 0.00 0.00 0.00 0.00 36.38 35.12 1x02 s VAL 136 CO -0.03 -1.16 1.04 0.54 0.00 0.00 0.00 175.10 175.50 1x02 s ASN 137 N -0.23 -0.00 0.11 3.32 4.22 -1.26 -2.53 114.94 118.56 1x02 s ASN 137 Ca 0.30 0.65 -0.31 0.00 -2.14 0.00 0.00 52.86 51.36 1x02 s ASN 137 Cb -0.00 -0.89 -0.10 0.00 1.28 0.00 0.00 41.25 41.54 1x02 s ASN 137 CO -0.17 -4.69 1.58 0.22 -2.04 0.00 0.00 177.10 172.00 1x02 h TYR 138 N -2.97 -1.21 -0.40 1.54 3.20 -1.98 0.46 116.97 115.60 1x02 h TYR 138 Ca -0.43 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.55 1x02 h TYR 138 Cb 1.31 0.52 -0.08 0.00 1.54 0.00 0.00 36.73 40.02 1x02 h TYR 138 CO -2.85 -0.52 -0.10 1.49 -1.64 0.00 0.00 178.16 174.54 1x02 h GLU 139 N -0.64 0.00 -0.63 1.82 4.81 -1.93 0.30 114.58 118.31 1x02 h GLU 139 Ca 0.03 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1x02 h GLU 139 Cb 0.68 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1x02 h GLU 139 CO -0.27 0.00 0.32 0.93 -0.73 0.00 0.00 179.01 179.27 1x02 h GLU 140 N 0.00 0.88 -0.14 1.92 5.08 -1.72 -2.41 114.58 118.19 1x02 h GLU 140 Ca 0.19 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1x02 h GLU 140 Cb 0.29 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1x02 h GLU 140 CO -0.41 0.66 -0.07 0.35 -1.00 0.00 0.00 179.01 178.54 1x02 h PHE 141 N 0.88 0.34 -0.30 4.33 3.57 0.15 -2.93 116.94 122.99 1x02 h PHE 141 Ca 0.22 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1x02 h PHE 141 Cb 0.06 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1x02 h PHE 141 CO 0.01 0.63 -0.09 0.28 -2.23 0.00 0.00 178.31 176.90 1x02 h VAL 142 N -0.04 0.66 -0.26 1.41 2.07 -0.23 -2.22 116.25 117.65 1x02 h VAL 142 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1x02 h VAL 142 Cb 0.54 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1x02 h VAL 142 CO 0.02 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 179.03 1x02 h GLN 143 N -0.03 -0.11 -0.41 1.57 1.08 -1.46 -1.99 115.11 113.77 1x02 h GLN 143 Ca 0.15 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1x02 h GLN 143 Cb 0.25 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.62 1x02 h GLN 143 CO -0.32 -0.07 -0.19 1.98 -0.95 0.00 0.00 178.83 179.28 1x02 h MET 144 N -0.11 -0.10 -0.87 1.46 4.05 -1.23 -0.02 114.93 118.11 1x02 h MET 144 Ca 0.14 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.69 1x02 h MET 144 Cb 0.32 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.06 1x02 h MET 144 CO -0.33 -0.07 0.49 0.52 0.23 0.00 0.00 176.91 177.75 1x02 h MET 145 N -0.11 0.73 -1.00 0.39 2.86 -0.83 -1.01 114.93 115.96 1x02 h MET 145 Ca 0.20 -0.04 -0.68 0.00 -2.06 0.00 0.00 59.70 57.12 1x02 h MET 145 Cb 0.42 -0.17 -0.29 0.00 0.06 0.00 0.00 31.60 31.62 1x02 h MET 145 CO -0.48 0.49 0.87 0.25 1.06 0.00 0.00 176.91 179.09 1x02 n THR 146 N -4.77 3.63 -3.81 2.22 -2.24 -0.16 -4.86 114.28 104.29 1x02 n THR 146 Ca 0.16 -2.92 -0.28 0.00 -2.27 0.00 0.00 64.05 58.73 1x02 n THR 146 Cb 0.36 -1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.82 1.31 -2.41 6.98 0.00 -0.38 -4.86 121.76 118.58 1x02 s ALA 147 Ca 0.65 -0.88 0.19 0.00 0.00 0.00 0.00 51.96 51.92 1x02 s ALA 147 Cb 0.51 -1.24 0.15 0.00 0.00 0.00 0.00 23.12 22.54 1x02 s ALA 147 CO -0.01 -1.13 1.11 1.63 0.00 0.00 0.00 175.76 177.36