#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 0.47 -0.25 0.00 3.32 -2.11 -1.64 116.42 116.21 1x02 h ASP 2 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1x02 h ASP 2 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1x02 h ASP 2 CO 0.00 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1x02 n GLN 3 N -4.27 1.86 -3.95 3.56 6.02 -1.26 -4.67 117.38 114.68 1x02 n GLN 3 Ca 0.01 -1.31 -0.32 0.00 -0.01 0.00 0.00 57.00 55.38 1x02 n GLN 3 Cb 0.26 -1.39 -0.14 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.42 4.77 0.10 1.08 1.43 -0.62 -4.65 118.68 119.38 1x02 s LEU 4 Ca 0.31 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.05 1x02 s LEU 4 Cb 0.17 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1x02 s LEU 4 CO 0.25 -0.37 0.00 0.41 0.23 0.00 0.00 176.35 176.86 1x02 n THR 5 N 4.01 0.12 0.00 5.49 -1.04 -1.26 -4.91 114.28 116.69 1x02 n THR 5 Ca 0.03 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1x02 n THR 5 Cb 0.39 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.90 2.49 -0.20 -2.82 -0.58 -1.26 -4.50 120.64 110.87 1x02 n GLU 6 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1x02 n GLU 6 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.85 0.05 3.49 9.09 -1.95 -2.98 114.58 123.13 1x02 h GLU 7 Ca 0.00 -0.17 -0.28 0.00 0.05 0.00 0.00 59.36 58.96 1x02 h GLU 7 Cb 0.53 -0.13 0.02 0.00 -1.65 0.00 0.00 28.75 27.52 1x02 h GLU 7 CO 0.00 0.76 -1.12 1.96 0.05 0.00 0.00 179.01 180.65 1x02 h GLN 8 N 0.77 0.63 -0.78 1.06 1.08 -1.86 -3.30 115.11 112.71 1x02 h GLN 8 Ca 0.18 -0.75 0.18 0.00 -1.45 0.00 0.00 58.65 56.81 1x02 h GLN 8 Cb 0.25 0.23 -0.13 0.00 -0.05 0.00 0.00 27.48 27.77 1x02 h GLN 8 CO -0.01 1.33 0.07 0.82 -0.95 0.00 0.00 178.83 180.09 1x02 h ILE 9 N 0.33 0.35 -0.72 2.54 1.08 -1.77 0.22 117.51 119.54 1x02 h ILE 9 Ca -0.15 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 1x02 h ILE 9 Cb 1.78 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 1x02 h ILE 9 CO 0.22 0.03 0.44 0.00 -0.69 0.00 0.00 178.15 178.14 1x02 h ALA 10 N 1.72 0.95 -0.21 1.87 0.00 -1.60 1.03 119.26 123.02 1x02 h ALA 10 Ca 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1x02 h ALA 10 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1x02 h ALA 10 CO -0.65 0.19 0.12 0.93 0.00 0.00 0.00 179.25 179.85 1x02 h GLU 11 N 0.84 0.28 0.00 0.00 5.08 -0.72 -2.45 114.58 117.62 1x02 h GLU 11 Ca 0.30 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1x02 h GLU 11 Cb 0.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1x02 h GLU 11 CO -0.13 0.23 -0.00 0.74 -1.00 0.00 0.00 179.01 178.85 1x02 h PHE 12 N 0.25 0.00 0.17 4.33 -1.00 -0.84 -3.34 116.94 116.51 1x02 h PHE 12 Ca 0.07 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.86 1x02 h PHE 12 Cb 0.02 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 1x02 h PHE 12 CO -0.05 0.00 -0.45 -0.22 -1.61 0.00 0.00 178.31 175.98 1x02 h LYS 13 N 0.00 -0.66 -0.62 1.51 1.63 0.16 0.44 116.57 119.03 1x02 h LYS 13 Ca -0.00 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 59.96 1x02 h LYS 13 Cb 0.88 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.57 1x02 h LYS 13 CO 0.00 -0.44 0.15 0.93 -3.45 0.00 0.00 179.45 176.64 1x02 h GLU 14 N -0.68 0.28 0.00 1.90 4.39 -1.67 0.57 114.58 119.36 1x02 h GLU 14 Ca -0.02 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 14 Cb 0.67 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1x02 h GLU 14 CO -0.21 0.18 -0.16 0.00 -1.16 0.00 0.00 179.01 177.67 1x02 h ALA 15 N 1.48 1.65 0.00 3.43 0.00 -1.56 -1.17 119.26 123.09 1x02 h ALA 15 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x02 h ALA 15 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x02 h ALA 15 CO -0.40 0.20 -0.54 0.34 0.00 0.00 0.00 179.25 178.85 1x02 n PHE 16 N -4.22 0.03 0.03 0.00 7.35 0.15 -4.05 117.46 116.74 1x02 n PHE 16 Ca -0.02 0.01 -0.21 0.00 -0.76 0.00 0.00 57.45 56.46 1x02 n PHE 16 Cb 0.23 -0.26 -0.14 0.00 0.35 0.00 0.00 39.48 39.66 1x02 n PHE 16 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1x02 h SER 17 N 0.00 0.46 -0.83 -2.13 0.02 0.11 -3.14 113.55 108.05 1x02 h SER 17 Ca 0.00 -0.92 0.05 0.00 -0.84 0.00 0.00 61.79 60.08 1x02 h SER 17 Cb 0.51 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1x02 h SER 17 CO 0.00 1.81 0.52 0.17 -1.14 0.00 0.00 176.83 178.19 1x02 h LEU 18 N 0.08 0.84 0.09 5.07 8.10 -1.45 -2.94 115.31 125.09 1x02 h LEU 18 Ca -0.39 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.60 1x02 h LEU 18 Cb 2.05 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 42.10 1x02 h LEU 18 CO 0.12 0.56 -0.04 -0.26 -4.11 0.00 0.00 178.44 174.70 1x02 h PHE 19 N 0.98 -0.11 -1.88 0.17 0.04 -1.72 -3.41 116.94 111.00 1x02 h PHE 19 Ca 0.35 -0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.62 1x02 h PHE 19 Cb 0.09 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1x02 h PHE 19 CO -0.03 0.38 1.49 0.34 -0.60 0.00 0.00 178.31 179.89 1x02 s ASP 20 N -5.59 4.96 -0.13 2.17 -1.08 -1.11 -4.70 116.67 111.19 1x02 s ASP 20 Ca -0.15 0.91 -0.14 0.00 -0.52 0.00 0.00 52.55 52.65 1x02 s ASP 20 Cb 0.01 -2.51 -0.25 0.00 -1.46 0.00 0.00 42.92 38.71 1x02 s ASP 20 CO 0.60 -2.51 0.40 0.11 0.52 0.00 0.00 175.17 174.30 1x02 h LYS 21 N 16.90 0.20 -0.15 4.34 1.79 -1.80 -3.38 116.57 134.45 1x02 h LYS 21 Ca -0.27 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 57.86 1x02 h LYS 21 Cb 1.22 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.99 1x02 h LYS 21 CO 1.15 1.16 0.07 0.38 -1.08 0.00 0.00 179.45 181.13 1x02 h ASP 22 N -0.33 0.20 0.00 0.86 3.04 -1.95 -3.48 116.42 114.77 1x02 h ASP 22 Ca -0.36 -0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1x02 h ASP 22 Cb 1.76 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 40.00 1x02 h ASP 22 CO 0.01 0.28 0.00 0.61 -2.04 0.00 0.00 179.24 178.10 1x02 n GLY 23 N -0.77 1.36 0.13 7.15 0.00 -1.26 -5.04 105.19 106.76 1x02 n GLY 23 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.95 0.00 1.61 5.68 -1.26 -5.03 116.55 119.50 1x02 n ASP 24 Ca 0.00 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 1x02 n ASP 24 Cb 0.00 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 25 N 1.28 0.35 2.89 6.12 0.00 -1.26 -5.15 105.19 109.41 1x02 n GLY 25 Ca -0.51 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.66 0.09 -0.36 2.61 -4.23 -1.26 -4.12 115.64 107.71 1x02 s THR 26 Ca 0.00 -0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 1x02 s THR 26 Cb 0.00 -0.08 0.01 0.00 1.34 0.00 0.00 72.50 73.77 1x02 s THR 26 CO 0.00 0.02 0.21 -0.63 -0.54 0.00 0.00 174.62 173.69 1x02 s ILE 27 N -0.03 4.75 0.41 2.99 1.01 -0.03 -4.86 121.20 125.44 1x02 s ILE 27 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.06 1x02 s ILE 27 Cb -0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1x02 s ILE 27 CO -0.00 -0.16 0.32 0.42 0.00 0.00 0.00 174.94 175.52 1x02 s THR 28 N 1.60 2.57 0.55 2.92 -4.23 -1.26 -3.06 115.64 114.73 1x02 s THR 28 Ca 0.03 -1.45 0.44 0.00 -1.18 0.00 0.00 61.69 59.54 1x02 s THR 28 Cb -0.18 -3.00 0.65 0.00 1.34 0.00 0.00 72.50 71.31 1x02 s THR 28 CO 0.07 -0.00 1.68 0.71 -0.54 0.00 0.00 174.62 176.54 1x02 h THR 29 N 1.15 0.19 0.53 3.99 1.35 -1.95 0.36 112.91 118.53 1x02 h THR 29 Ca -0.42 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.41 1x02 h THR 29 Cb 1.26 0.19 0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1x02 h THR 29 CO 0.61 0.00 -0.26 0.50 -0.25 0.00 0.00 175.52 176.12 1x02 h LYS 30 N 0.00 -0.69 -0.24 4.72 3.11 -1.95 1.32 116.57 122.85 1x02 h LYS 30 Ca 0.77 0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 58.62 1x02 h LYS 30 Cb 3.07 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 34.45 1x02 h LYS 30 CO -0.02 -0.40 -0.00 0.93 -2.81 0.00 0.00 179.45 177.15 1x02 h GLU 31 N -1.08 0.42 -0.30 1.90 5.08 -1.13 -0.54 114.58 118.93 1x02 h GLU 31 Ca -0.07 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 57.97 1x02 h GLU 31 Cb 0.61 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1x02 h GLU 31 CO 0.12 0.60 -0.52 1.25 -1.00 0.00 0.00 179.01 179.46 1x02 h LEU 32 N 0.19 0.95 -1.30 1.33 5.85 -0.52 -2.78 115.31 119.02 1x02 h LEU 32 Ca 0.07 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 1x02 h LEU 32 Cb 0.42 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1x02 h LEU 32 CO 0.01 1.29 -0.32 1.23 -0.34 0.00 0.00 178.44 180.31 1x02 h GLY 33 N 0.74 0.00 2.00 3.75 0.00 0.18 0.49 103.07 110.23 1x02 h GLY 33 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1x02 h GLY 33 CO 0.12 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.94 1x02 h THR 34 N 0.00 1.33 0.00 4.70 1.03 -1.00 -2.95 112.91 116.03 1x02 h THR 34 Ca -0.00 -2.60 -0.33 0.00 -0.01 0.00 0.00 66.41 63.47 1x02 h THR 34 Cb 0.66 2.47 -0.06 0.00 -1.07 0.00 0.00 68.15 70.15 1x02 h THR 34 CO 0.04 0.70 -2.03 0.52 -0.01 0.00 0.00 175.52 174.74 1x02 n VAL 35 N -3.43 1.52 -0.18 0.00 0.31 -1.04 -3.98 118.33 111.52 1x02 n VAL 35 Ca 0.00 -0.82 -0.09 0.00 -0.01 0.00 0.00 64.34 63.43 1x02 n VAL 35 Cb 0.76 -0.81 0.05 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.00 0.00 5.55 2.86 -0.09 -2.43 114.93 121.82 1x02 h MET 36 Ca -0.41 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1x02 h MET 36 Cb 2.12 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1x02 h MET 36 CO 0.05 1.01 0.00 0.07 1.06 0.00 0.00 176.91 179.10 1x02 h ARG 37 N 0.90 0.00 -0.05 1.72 -0.00 -1.70 -2.78 114.38 112.47 1x02 h ARG 37 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.04 1x02 h ARG 37 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.55 1x02 h ARG 37 CO 0.04 0.00 -0.39 0.77 -0.00 0.00 0.00 179.97 180.39 1x02 h SER 38 N 0.00 0.11 0.58 0.08 0.02 -1.56 -3.00 113.55 109.78 1x02 h SER 38 Ca 0.00 -0.04 -0.28 0.00 -0.84 0.00 0.00 61.79 60.62 1x02 h SER 38 Cb 0.52 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1x02 h SER 38 CO 0.00 0.50 -1.32 -0.07 -1.14 0.00 0.00 176.83 174.80 1x02 h LEU 39 N 0.10 0.44 0.00 5.07 4.07 -1.54 -3.48 115.31 119.97 1x02 h LEU 39 Ca 0.01 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1x02 h LEU 39 Cb 0.73 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1x02 h LEU 39 CO 0.05 1.39 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 1x02 n GLY 40 N 1.57 0.84 0.00 0.83 0.00 -1.13 -5.09 105.19 102.22 1x02 n GLY 40 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.02 -3.18 1.61 1.13 -1.10 -5.02 117.38 110.83 1x02 n GLN 41 Ca 0.00 0.09 -0.14 0.00 -1.94 0.00 0.00 57.00 55.00 1x02 n GLN 41 Cb 0.00 -0.61 0.07 0.00 0.11 0.00 0.00 30.24 29.81 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 -2.50 -3.79 -4.77 1.08 4.13 -1.25 -4.93 115.26 103.24 1x02 n ASN 42 Ca -0.00 -0.59 -0.31 0.00 1.68 0.00 0.00 54.58 55.36 1x02 n ASN 42 Cb 0.02 -4.66 0.08 0.00 -1.54 0.00 0.00 39.78 33.68 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x02 s PRO 43 N -4.80 2.34 0.32 3.52 0.04 -1.26 -5.02 135.00 130.14 1x02 s PRO 43 Ca 0.17 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1x02 s PRO 43 Cb -0.02 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1x02 s PRO 43 CO 0.65 -1.58 0.51 0.95 0.04 0.00 0.00 177.00 177.57 1x02 s THR 44 N -2.82 5.13 0.09 1.26 -4.23 -1.26 -4.76 115.64 109.05 1x02 s THR 44 Ca 0.62 -0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 60.43 1x02 s THR 44 Cb -0.18 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 1x02 s THR 44 CO 0.54 -0.50 1.06 -0.62 -0.54 0.00 0.00 174.62 174.56 1x02 n GLU 45 N -1.65 -0.25 -0.30 3.99 1.02 -1.26 0.15 120.64 122.34 1x02 n GLU 45 Ca -0.05 1.04 0.13 0.00 -0.02 0.00 0.00 57.16 58.26 1x02 n GLU 45 Cb 0.56 -1.53 0.30 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.08 1.34 0.41 0.62 0.00 -1.99 0.11 119.26 119.83 1x02 h ALA 46 Ca 0.09 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1x02 h ALA 46 Cb 0.23 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x02 h ALA 46 CO -0.52 -0.45 -0.20 0.93 0.00 0.00 0.00 179.25 179.01 1x02 h GLU 47 N 0.25 -0.53 -0.48 0.00 4.39 0.95 -2.24 114.58 116.92 1x02 h GLU 47 Ca 0.56 0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.39 1x02 h GLU 47 Cb 1.13 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.80 1x02 h GLU 47 CO -0.62 -0.22 -0.28 -0.07 -1.16 0.00 0.00 179.01 176.66 1x02 h LEU 48 N -0.95 -0.94 0.37 1.33 3.38 0.56 0.38 115.31 119.44 1x02 h LEU 48 Ca -0.06 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x02 h LEU 48 Cb 0.55 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1x02 h LEU 48 CO 0.09 -0.28 -0.44 1.56 0.09 0.00 0.00 178.44 179.45 1x02 h GLN 49 N -0.17 -0.82 -0.94 1.13 1.08 -0.88 0.14 115.11 114.65 1x02 h GLN 49 Ca 0.21 0.06 0.22 0.00 -1.45 0.00 0.00 58.65 57.69 1x02 h GLN 49 Cb 0.51 0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 28.01 1x02 h GLN 49 CO -0.58 -0.55 0.49 -0.44 -0.95 0.00 0.00 178.83 176.80 1x02 h ASP 50 N -0.85 0.51 -0.23 1.46 5.19 -0.76 0.29 116.42 122.03 1x02 h ASP 50 Ca -0.03 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1x02 h ASP 50 Cb 0.77 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1x02 h ASP 50 CO -0.11 0.07 -0.05 0.24 -3.12 0.00 0.00 179.24 176.27 1x02 h MET 51 N 0.51 0.44 -0.65 3.56 2.86 -0.26 -2.95 114.93 118.45 1x02 h MET 51 Ca 0.59 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1x02 h MET 51 Cb 1.09 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1x02 h MET 51 CO -0.49 0.67 0.31 0.82 1.06 0.00 0.00 176.91 179.29 1x02 h ILE 52 N 0.18 1.22 -0.88 -1.22 2.04 0.13 -2.53 117.51 116.45 1x02 h ILE 52 Ca 0.06 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 65.40 1x02 h ILE 52 Cb 0.51 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1x02 h ILE 52 CO 0.02 0.26 0.57 0.78 0.00 0.00 0.00 178.15 179.78 1x02 h ASN 53 N 0.90 0.74 -0.91 1.72 2.35 -0.48 0.37 115.58 120.27 1x02 h ASN 53 Ca 0.22 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1x02 h ASN 53 Cb 0.12 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1x02 h ASN 53 CO -0.03 0.41 0.60 -0.33 -1.65 0.00 0.00 177.43 176.44 1x02 h GLU 54 N 0.80 1.09 0.19 0.81 4.39 -1.27 -2.82 114.58 117.77 1x02 h GLU 54 Ca 0.42 -0.07 -0.34 0.00 0.34 0.00 0.00 59.36 59.71 1x02 h GLU 54 Cb 0.52 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1x02 h GLU 54 CO -0.19 0.72 -1.68 0.28 -1.16 0.00 0.00 179.01 176.99 1x02 h VAL 55 N 1.13 1.03 -0.12 3.13 2.07 -1.12 -3.44 116.25 118.92 1x02 h VAL 55 Ca 0.37 -2.59 -0.20 0.00 0.82 0.00 0.00 66.70 65.10 1x02 h VAL 55 Cb 0.05 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 1x02 h VAL 55 CO -0.12 0.85 1.20 -0.67 0.02 0.00 0.00 177.57 178.85 1x02 n ASP 56 N -3.59 -0.24 0.03 0.57 -0.08 0.12 -4.72 116.55 108.63 1x02 n ASP 56 Ca -0.22 -0.99 -0.04 0.00 -1.51 0.00 0.00 54.79 52.03 1x02 n ASP 56 Cb 1.08 -0.98 -0.03 0.00 2.34 0.00 0.00 41.12 43.53 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x02 h ALA 57 N 11.54 -0.18 -0.88 -1.67 0.00 -1.85 -3.33 119.26 122.89 1x02 h ALA 57 Ca 0.02 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.08 1x02 h ALA 57 Cb 1.07 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1x02 h ALA 57 CO 1.36 -0.17 0.22 0.38 0.00 0.00 0.00 179.25 181.03 1x02 h ASP 58 N -1.03 -0.04 0.00 0.00 3.04 -1.97 -3.45 116.42 112.97 1x02 h ASP 58 Ca -0.02 0.20 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 1x02 h ASP 58 Cb 0.24 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 1x02 h ASP 58 CO 0.03 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 1x02 n GLY 59 N -1.38 1.37 0.14 7.15 0.00 -1.25 -5.05 105.19 106.17 1x02 n GLY 59 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 1.96 0.00 1.61 6.94 -1.26 -5.04 115.26 119.47 1x02 n ASN 60 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1x02 n ASN 60 Cb 0.00 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 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 1.48 1.59 3.50 4.83 0.00 -1.26 -5.11 105.19 110.22 1x02 n GLY 61 Ca -0.51 -0.08 -0.33 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 -0.17 3.52 0.63 2.61 -4.23 -1.26 -4.72 115.64 112.02 1x02 s THR 62 Ca 0.00 -0.52 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 1x02 s THR 62 Cb 0.00 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1x02 s THR 62 CO 0.00 0.56 1.13 -0.63 -0.54 0.00 0.00 174.62 175.14 1x02 s ILE 63 N -0.30 3.10 0.03 2.99 1.01 -1.17 -4.83 121.20 122.03 1x02 s ILE 63 Ca 0.04 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.26 1x02 s ILE 63 Cb -0.13 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 1x02 s ILE 63 CO 0.03 -0.27 0.02 -0.90 0.00 0.00 0.00 174.94 173.82 1x02 n ASP 64 N -2.11 0.17 -0.12 3.58 5.68 -1.26 -0.85 116.55 121.64 1x02 n ASP 64 Ca 0.11 -1.19 -0.05 0.00 -0.50 0.00 0.00 54.79 53.16 1x02 n ASP 64 Cb 0.51 0.13 0.03 0.00 -1.14 0.00 0.00 41.12 40.65 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1x02 h PHE 65 N 1.08 0.15 0.38 2.11 3.04 -1.98 0.79 116.94 122.52 1x02 h PHE 65 Ca -0.02 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1x02 h PHE 65 Cb 0.10 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1x02 h PHE 65 CO 0.00 0.03 -0.18 -1.00 -2.02 0.00 0.00 178.31 175.14 1x02 h PRO 66 N 0.22 -0.49 -0.72 6.41 0.13 -1.96 -3.10 132.00 132.49 1x02 h PRO 66 Ca 0.18 0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.37 1x02 h PRO 66 Cb 0.21 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1x02 h PRO 66 CO -0.23 -0.19 0.48 0.93 -0.23 0.00 0.00 178.00 178.75 1x02 h GLU 67 N -1.00 0.89 -0.73 0.86 5.08 -1.86 -2.23 114.58 115.59 1x02 h GLU 67 Ca -0.05 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1x02 h GLU 67 Cb 0.52 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1x02 h GLU 67 CO 0.09 0.59 0.38 0.35 -1.00 0.00 0.00 179.01 179.41 1x02 h PHE 68 N 0.91 0.68 -1.02 4.33 3.57 0.57 -0.15 116.94 125.82 1x02 h PHE 68 Ca 0.28 0.03 0.30 0.00 3.53 0.00 0.00 57.97 62.10 1x02 h PHE 68 Cb -0.00 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1x02 h PHE 68 CO -0.00 0.25 0.85 -0.07 -2.23 0.00 0.00 178.31 177.12 1x02 h LEU 69 N 0.64 0.00 -0.24 0.59 3.38 -1.31 0.52 115.31 118.88 1x02 h LEU 69 Ca 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 1x02 h LEU 69 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x02 h LEU 69 CO -0.26 0.00 -0.51 0.74 0.09 0.00 0.00 178.44 178.50 1x02 h THR 70 N 0.00 1.29 -0.15 0.22 2.02 -1.14 -2.86 112.91 112.29 1x02 h THR 70 Ca 0.48 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 1x02 h THR 70 Cb 2.18 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 70.33 1x02 h THR 70 CO -0.01 0.55 -0.01 -0.03 0.37 0.00 0.00 175.52 176.39 1x02 h MET 71 N 0.52 0.28 -0.75 6.66 1.85 -0.04 -2.92 114.93 120.54 1x02 h MET 71 Ca 0.01 -0.10 0.12 0.00 -0.61 0.00 0.00 59.70 59.12 1x02 h MET 71 Cb 1.12 -0.02 -0.05 0.00 0.43 0.00 0.00 31.60 33.08 1x02 h MET 71 CO 0.11 0.53 0.49 0.52 -0.40 0.00 0.00 176.91 178.16 1x02 h MET 72 N 0.01 0.54 -0.42 0.39 2.07 -1.42 0.46 114.93 116.56 1x02 h MET 72 Ca 0.04 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.62 1x02 h MET 72 Cb 0.41 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.00 1x02 h MET 72 CO 0.01 0.36 0.18 0.00 1.07 0.00 0.00 176.91 178.52 1x02 h ALA 73 N 1.64 0.54 -0.58 6.32 0.00 -1.32 0.77 119.26 126.63 1x02 h ALA 73 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1x02 h ALA 73 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1x02 h ALA 73 CO -0.13 0.14 0.07 2.89 0.00 0.00 0.00 179.25 182.22 1x02 n ARG 74 N -4.64 4.37 0.00 0.00 -4.01 -0.55 -4.22 116.66 107.62 1x02 n ARG 74 Ca 0.00 -3.12 0.00 0.00 -1.04 0.00 0.00 57.85 53.69 1x02 n ARG 74 Cb 0.14 -2.21 0.00 0.00 -3.04 0.00 0.00 32.46 27.35 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 0.28 2.65 -0.33 2.89 3.00 0.15 -4.74 118.16 122.06 1x02 n LYS 75 Ca 0.30 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.79 1x02 n LYS 75 Cb 1.21 -0.88 0.41 0.00 0.00 0.00 0.00 35.03 35.77 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 0.55 -0.72 1.64 2.86 -1.02 0.30 114.93 118.53 1x02 h MET 76 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1x02 h MET 76 Cb 0.57 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1x02 h MET 76 CO 0.00 0.36 0.48 1.57 1.06 0.00 0.00 176.91 180.38 1x02 h LYS 77 N 0.56 0.95 -0.59 1.72 5.09 -1.84 0.97 116.57 123.43 1x02 h LYS 77 Ca 0.60 -0.06 0.14 0.00 0.09 0.00 0.00 60.65 61.42 1x02 h LYS 77 Cb 1.22 -0.21 -0.03 0.00 0.10 0.00 0.00 32.23 33.31 1x02 h LYS 77 CO -0.38 0.63 0.41 -0.44 -2.09 0.00 0.00 179.45 177.58 1x02 h ASP 78 N 0.98 0.17 0.00 7.07 5.19 -0.70 -1.98 116.42 127.15 1x02 h ASP 78 Ca 0.27 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1x02 h ASP 78 Cb -0.10 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1x02 h ASP 78 CO -0.06 0.09 -0.13 0.41 -3.12 0.00 0.00 179.24 176.43 1x02 n THR 79 N -4.43 1.34 -0.26 0.35 -1.04 -0.57 -4.84 114.28 104.83 1x02 n THR 79 Ca 0.11 -1.60 0.24 0.00 -2.04 0.00 0.00 64.05 60.76 1x02 n THR 79 Cb 0.53 -0.01 0.42 0.00 -1.82 0.00 0.00 70.33 69.46 1x02 n THR 79 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1x02 n ASP 80 N -1.01 0.18 -0.27 8.00 5.68 0.33 0.12 116.55 129.57 1x02 n ASP 80 Ca 0.11 1.00 0.09 0.00 -0.50 0.00 0.00 54.79 55.50 1x02 n ASP 80 Cb 0.64 -0.49 0.19 0.00 -1.14 0.00 0.00 41.12 40.32 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1x02 n SER 81 N -4.24 -0.15 -0.22 -1.12 7.64 -1.26 0.38 113.62 114.66 1x02 n SER 81 Ca 0.26 1.32 0.10 0.00 1.01 0.00 0.00 58.87 61.56 1x02 n SER 81 Cb 0.95 -0.46 0.20 0.00 -1.01 0.00 0.00 64.21 63.89 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 -5.14 -0.05 -0.04 1.43 2.13 0.12 0.23 120.64 119.32 1x02 n GLU 82 Ca 0.16 0.96 -0.11 0.00 0.66 0.00 0.00 57.16 58.84 1x02 n GLU 82 Cb 0.53 -1.54 -0.05 0.00 0.27 0.00 0.00 31.44 30.66 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 0.23 -1.74 5.31 5.08 -0.30 -2.49 114.58 120.67 1x02 h GLU 83 Ca 0.40 -0.03 0.53 0.00 -1.00 0.00 0.00 59.36 59.26 1x02 h GLU 83 Cb 0.84 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1x02 h GLU 83 CO -0.60 0.26 1.21 0.93 -1.00 0.00 0.00 179.01 179.81 1x02 h GLU 84 N 0.14 0.01 0.10 2.33 4.39 0.27 1.76 114.58 123.58 1x02 h GLU 84 Ca 0.05 -0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.46 1x02 h GLU 84 Cb 0.10 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1x02 h GLU 84 CO -0.01 0.01 -1.45 0.82 -1.16 0.00 0.00 179.01 177.21 1x02 h ILE 85 N 0.01 1.23 -0.68 3.13 2.04 -1.34 -3.35 117.51 118.55 1x02 h ILE 85 Ca 0.90 -2.88 0.13 0.00 1.00 0.00 0.00 64.86 64.01 1x02 h ILE 85 Cb 3.38 2.77 -0.13 0.00 -0.74 0.00 0.00 36.82 42.10 1x02 h ILE 85 CO -0.17 0.82 -0.19 0.03 0.00 0.00 0.00 178.15 178.64 1x02 h ARG 86 N 0.06 -0.01 -0.99 2.37 2.47 0.29 -0.16 114.38 118.39 1x02 h ARG 86 Ca -0.21 0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.71 1x02 h ARG 86 Cb 1.99 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 30.12 1x02 h ARG 86 CO 0.16 -0.01 -0.26 0.93 0.56 0.00 0.00 179.97 181.35 1x02 h GLU 87 N -0.02 -0.00 -0.70 0.04 4.39 -1.66 0.78 114.58 117.41 1x02 h GLU 87 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1x02 h GLU 87 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1x02 h GLU 87 CO -0.70 -0.00 0.44 0.00 -1.16 0.00 0.00 179.01 177.59 1x02 h ALA 88 N 1.95 0.89 -0.72 3.43 0.00 -1.25 -1.91 119.26 121.65 1x02 h ALA 88 Ca 0.47 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1x02 h ALA 88 Cb 0.72 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1x02 h ALA 88 CO -1.02 0.35 0.48 0.35 0.00 0.00 0.00 179.25 179.40 1x02 h PHE 89 N 0.95 0.89 -0.13 0.00 3.57 0.72 -2.66 116.94 120.29 1x02 h PHE 89 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1x02 h PHE 89 Cb -0.06 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 1x02 h PHE 89 CO -0.02 0.55 -0.05 0.00 -2.23 0.00 0.00 178.31 176.56 1x02 h ARG 90 N 0.95 0.26 -0.86 1.11 3.08 -0.47 -2.96 114.38 115.49 1x02 h ARG 90 Ca 0.27 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.36 1x02 h ARG 90 Cb -0.07 -0.01 -0.16 0.00 0.08 0.00 0.00 29.97 29.81 1x02 h ARG 90 CO -0.06 0.59 -0.29 0.28 -1.07 0.00 0.00 179.97 179.42 1x02 h VAL 91 N -0.07 0.10 -0.57 2.04 2.07 -1.00 0.29 116.25 119.10 1x02 h VAL 91 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1x02 h VAL 91 Cb 0.51 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1x02 h VAL 91 CO 0.02 0.00 0.30 -0.26 0.02 0.00 0.00 177.57 177.65 1x02 h PHE 92 N -0.03 0.80 -0.26 1.57 0.04 -1.55 -3.35 116.94 114.16 1x02 h PHE 92 Ca 0.37 -0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.88 1x02 h PHE 92 Cb 0.61 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1x02 h PHE 92 CO -0.73 0.60 0.72 -3.47 -0.60 0.00 0.00 178.31 174.83 1x02 n ASP 93 N -4.57 2.23 0.38 2.17 2.03 0.10 -3.96 116.55 114.93 1x02 n ASP 93 Ca 0.03 -2.60 -0.15 0.00 0.52 0.00 0.00 54.79 52.59 1x02 n ASP 93 Cb 0.10 -1.65 -0.07 0.00 -0.72 0.00 0.00 41.12 38.78 1x02 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1x02 h LYS 94 N 10.42 -0.94 -0.88 -0.67 1.79 -1.74 -3.08 116.57 121.47 1x02 h LYS 94 Ca 0.14 0.06 0.23 0.00 -2.18 0.00 0.00 60.65 58.91 1x02 h LYS 94 Cb 0.94 0.21 -0.13 0.00 -1.58 0.00 0.00 32.23 31.67 1x02 h LYS 94 CO 1.22 -0.63 0.30 0.38 -1.08 0.00 0.00 179.45 179.64 1x02 h ASP 95 N -1.07 0.14 -1.03 0.86 2.03 -1.90 -3.46 116.42 111.99 1x02 h ASP 95 Ca -0.10 0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1x02 h ASP 95 Cb 0.75 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1x02 h ASP 95 CO 0.16 -0.09 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 1x02 n GLY 96 N -1.36 0.68 0.04 7.15 0.00 -1.16 -5.01 105.19 105.53 1x02 n GLY 96 Ca 0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.06 3.35 0.00 1.61 6.94 -1.26 -5.05 115.26 120.91 1x02 n ASN 97 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1x02 n ASN 97 Cb 0.33 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 2.95 3.04 4.00 4.83 0.00 -1.26 -5.14 105.19 113.60 1x02 n GLY 98 Ca -0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1x02 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x02 s TYR 99 N 0.00 2.95 -0.24 1.61 1.51 -1.26 -3.86 117.35 118.06 1x02 s TYR 99 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1x02 s TYR 99 Cb 0.00 -2.24 0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1x02 s TYR 99 CO 0.00 -0.28 -0.02 0.42 -1.11 0.00 0.00 175.55 174.56 1x02 s ILE 100 N -2.31 1.40 0.61 2.71 1.01 0.33 -4.67 121.20 120.28 1x02 s ILE 100 Ca 0.51 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1x02 s ILE 100 Cb -0.10 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1x02 s ILE 100 CO 0.33 -0.20 0.98 -0.94 0.00 0.00 0.00 174.94 175.11 1x02 s SER 101 N 1.44 6.01 0.20 3.58 1.04 -1.26 0.11 113.70 124.82 1x02 s SER 101 Ca -0.03 1.19 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 1x02 s SER 101 Cb -0.19 -2.23 0.25 0.00 0.10 0.00 0.00 66.02 63.95 1x02 s SER 101 CO -0.08 -0.93 1.75 0.00 0.98 0.00 0.00 173.24 174.96 1x02 h ALA 102 N -0.26 0.75 0.33 5.32 0.00 -1.96 -2.12 119.26 121.31 1x02 h ALA 102 Ca -0.45 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1x02 h ALA 102 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x02 h ALA 102 CO 0.62 -0.18 -0.16 0.00 0.00 0.00 0.00 179.25 179.53 1x02 h ALA 103 N 1.39 -0.44 -0.40 0.00 0.00 -1.93 0.43 119.26 118.31 1x02 h ALA 103 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1x02 h ALA 103 Cb 0.33 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1x02 h ALA 103 CO -0.28 -0.68 -0.50 0.93 0.00 0.00 0.00 179.25 178.72 1x02 h GLU 104 N -0.57 -0.32 -0.03 0.00 5.08 -1.82 -2.06 114.58 114.86 1x02 h GLU 104 Ca -0.05 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x02 h GLU 104 Cb 0.42 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1x02 h GLU 104 CO 0.07 -0.21 0.01 1.25 -1.00 0.00 0.00 179.01 179.13 1x02 h LEU 105 N -0.33 0.05 -0.77 1.33 6.46 -1.41 -3.00 115.31 117.62 1x02 h LEU 105 Ca 0.07 -0.22 0.28 0.00 -0.12 0.00 0.00 57.88 57.89 1x02 h LEU 105 Cb 0.52 -0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.30 1x02 h LEU 105 CO -0.55 0.25 0.25 -1.14 -0.62 0.00 0.00 178.44 176.63 1x02 n ARG 106 N -4.95 -0.05 -0.11 1.25 0.63 0.15 0.22 116.66 113.80 1x02 n ARG 106 Ca -0.07 1.11 -0.10 0.00 -0.92 0.00 0.00 57.85 57.86 1x02 n ARG 106 Cb 0.13 -1.89 -0.03 0.00 0.45 0.00 0.00 32.46 31.13 1x02 n ARG 106 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1x02 h HIS 107 N 0.00 0.55 0.52 -0.14 2.76 -1.24 -3.04 115.15 114.55 1x02 h HIS 107 Ca 0.58 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.66 1x02 h HIS 107 Cb 1.41 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 1x02 h HIS 107 CO -0.17 0.59 -0.36 0.28 -1.30 0.00 0.00 177.93 176.96 1x02 h VAL 108 N 0.35 0.26 -1.08 5.26 2.07 0.26 -2.35 116.25 121.02 1x02 h VAL 108 Ca 0.10 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.97 1x02 h VAL 108 Cb 0.33 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 30.22 1x02 h VAL 108 CO 0.00 0.00 0.64 0.24 0.02 0.00 0.00 177.57 178.47 1x02 h MET 109 N -0.85 0.22 -0.49 1.57 2.07 -1.30 0.27 114.93 116.41 1x02 h MET 109 Ca -0.06 -0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.66 1x02 h MET 109 Cb 0.71 -0.05 -0.08 0.00 -1.87 0.00 0.00 31.60 30.31 1x02 h MET 109 CO 0.03 0.15 -0.03 1.15 1.07 0.00 0.00 176.91 179.28 1x02 h THR 110 N 0.23 0.59 -0.94 2.22 2.02 -1.30 -1.16 112.91 114.56 1x02 h THR 110 Ca 0.76 -0.03 0.27 0.00 0.77 0.00 0.00 66.41 68.19 1x02 h THR 110 Cb 1.96 0.50 -0.17 0.00 -1.74 0.00 0.00 68.15 68.70 1x02 h THR 110 CO -0.56 0.02 0.18 0.78 0.37 0.00 0.00 175.52 176.30 1x02 h ASN 111 N 0.08 -0.18 -0.78 4.18 4.21 -0.49 0.18 115.58 122.79 1x02 h ASN 111 Ca 0.24 0.24 0.26 0.00 1.21 0.00 0.00 56.30 58.26 1x02 h ASN 111 Cb 0.37 0.37 -0.14 0.00 -1.12 0.00 0.00 38.32 37.80 1x02 h ASN 111 CO -0.43 -0.29 0.19 0.18 -1.29 0.00 0.00 177.43 175.79 1x02 n LEU 112 N -5.35 0.06 0.00 1.61 4.77 -0.44 -4.70 117.00 112.95 1x02 n LEU 112 Ca 0.24 1.31 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 1x02 n LEU 112 Cb 0.79 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1x02 n LEU 112 CO -0.00 -1.38 0.00 0.61 -1.33 0.00 0.00 177.39 175.29 1x02 n GLY 113 N -1.31 1.30 3.31 -0.72 0.00 0.62 -5.16 105.19 103.24 1x02 n GLY 113 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 1.82 -0.30 1.61 2.02 -1.18 -5.14 118.70 117.52 1x02 s GLU 114 Ca 0.00 -2.07 0.03 0.00 0.02 0.00 0.00 54.97 52.95 1x02 s GLU 114 Cb 0.00 0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.55 1x02 s GLU 114 CO 0.00 -0.66 -0.01 0.15 0.02 0.00 0.00 175.26 174.76 1x02 s LYS 115 N -3.42 1.70 0.34 1.61 1.02 -1.26 -4.69 119.74 115.03 1x02 s LYS 115 Ca 0.39 -1.57 0.08 0.00 0.02 0.00 0.00 55.97 54.89 1x02 s LYS 115 Cb 0.02 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1x02 s LYS 115 CO 0.27 -0.79 0.12 -0.51 -0.92 0.00 0.00 175.35 173.53 1x02 s LEU 116 N 1.05 3.23 0.16 3.17 1.43 -1.26 -5.11 118.68 121.35 1x02 s LEU 116 Ca 0.03 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1x02 s LEU 116 Cb -0.19 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1x02 s LEU 116 CO -0.08 -0.28 0.00 0.42 0.23 0.00 0.00 176.35 176.65 1x02 s THR 117 N -2.43 0.62 0.43 5.49 -4.23 -1.26 -5.00 115.64 109.26 1x02 s THR 117 Ca 0.37 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 59.23 1x02 s THR 117 Cb -0.02 -2.07 0.49 0.00 1.34 0.00 0.00 72.50 72.24 1x02 s THR 117 CO 0.22 -0.51 1.53 0.47 -0.54 0.00 0.00 174.62 175.79 1x02 n ASP 118 N -0.21 0.20 0.26 3.99 9.92 -1.26 0.33 116.55 129.79 1x02 n ASP 118 Ca -0.07 1.36 -0.15 0.00 -0.53 0.00 0.00 54.79 55.39 1x02 n ASP 118 Cb 0.63 -0.67 -0.08 0.00 -0.64 0.00 0.00 41.12 40.36 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 -0.63 -0.34 -1.24 4.39 -1.98 0.35 114.58 115.13 1x02 h GLU 119 Ca 0.86 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.68 1x02 h GLU 119 Cb 2.79 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 31.52 1x02 h GLU 119 CO -0.45 -0.35 -0.11 0.93 -1.16 0.00 0.00 179.01 177.87 1x02 h GLU 120 N -0.82 -0.04 -0.55 2.33 4.39 -0.52 -1.91 114.58 117.45 1x02 h GLU 120 Ca -0.07 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1x02 h GLU 120 Cb 0.57 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1x02 h GLU 120 CO 0.11 -0.03 0.11 0.28 -1.16 0.00 0.00 179.01 178.33 1x02 h VAL 121 N -0.04 1.25 -0.84 3.13 2.07 -1.36 -3.03 116.25 117.44 1x02 h VAL 121 Ca 0.17 -0.92 0.20 0.00 0.82 0.00 0.00 66.70 66.96 1x02 h VAL 121 Cb 0.30 0.78 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 1x02 h VAL 121 CO -0.37 0.34 -0.00 0.44 0.02 0.00 0.00 177.57 177.99 1x02 h ASP 122 N 0.80 -0.42 -0.61 0.57 5.19 0.51 0.94 116.42 123.41 1x02 h ASP 122 Ca 0.17 0.23 0.11 0.00 -0.62 0.00 0.00 57.03 56.92 1x02 h ASP 122 Cb 0.38 0.40 -0.04 0.00 0.18 0.00 0.00 39.33 40.25 1x02 h ASP 122 CO 0.01 -0.23 0.41 -0.33 -3.12 0.00 0.00 179.24 175.97 1x02 h GLU 123 N 0.07 0.36 0.04 3.56 5.08 -1.36 -1.60 114.58 120.74 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 0.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1x02 h GLU 123 CO -0.76 0.24 -0.02 1.98 -1.00 0.00 0.00 179.01 179.45 1x02 h MET 124 N 0.37 -0.05 -0.85 2.33 4.05 0.78 -3.25 114.93 118.31 1x02 h MET 124 Ca 0.29 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.90 1x02 h MET 124 Cb 0.62 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 1x02 h MET 124 CO -0.08 0.57 0.57 0.82 0.23 0.00 0.00 176.91 179.02 1x02 h ILE 125 N -0.76 0.71 -0.01 1.77 1.08 -0.69 0.60 117.51 120.21 1x02 h ILE 125 Ca -0.01 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1x02 h ILE 125 Cb 0.65 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1x02 h ILE 125 CO 0.01 0.07 0.00 -2.11 -0.69 0.00 0.00 178.15 175.43 1x02 n ARG 126 N -4.49 1.05 -0.02 2.37 1.85 -0.65 -0.73 116.66 116.05 1x02 n ARG 126 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 57.85 56.94 1x02 n ARG 126 Cb 0.65 -1.24 -0.02 0.00 -1.05 0.00 0.00 32.46 30.80 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 -0.25 1.03 -0.09 2.89 2.13 0.21 -4.81 120.64 121.76 1x02 n GLU 127 Ca 0.01 0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.74 1x02 n GLU 127 Cb 0.13 -1.10 -0.11 0.00 0.27 0.00 0.00 31.44 30.63 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 -2.50 1.60 -1.57 4.31 0.00 -1.09 -4.89 120.51 116.37 1x02 n ALA 128 Ca -0.08 -0.95 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 1x02 n ALA 128 Cb 0.60 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.80 2.73 -0.07 0.00 -0.08 0.09 -4.76 116.55 111.66 1x02 n ASP 129 Ca -0.30 -0.20 -0.08 0.00 -1.51 0.00 0.00 54.79 52.70 1x02 n ASP 129 Cb 0.95 -1.57 -0.06 0.00 2.34 0.00 0.00 41.12 42.78 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 7.47 0.75 -0.47 5.18 1.08 -1.86 -3.37 117.51 126.29 1x02 h ILE 130 Ca -0.31 -1.62 0.06 0.00 -0.39 0.00 0.00 64.86 62.60 1x02 h ILE 130 Cb 1.26 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 1x02 h ILE 130 CO 1.07 0.25 0.17 -2.24 -0.69 0.00 0.00 178.15 176.71 1x02 h ASP 131 N -1.00 0.17 -0.21 1.72 3.04 -1.91 -3.47 116.42 114.76 1x02 h ASP 131 Ca -0.04 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 1x02 h ASP 131 Cb 0.57 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 1x02 h ASP 131 CO -0.02 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 177.91 1x02 n GLY 132 N -1.26 0.78 0.24 7.15 0.00 -1.26 -5.02 105.19 105.83 1x02 n GLY 132 Ca 0.04 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.06 2.63 -1.54 1.61 5.68 -1.26 -4.96 116.55 118.77 1x02 n ASP 133 Ca 0.00 -2.93 -0.14 0.00 -0.50 0.00 0.00 54.79 51.23 1x02 n ASP 133 Cb 0.07 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.64 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 -1.10 -0.13 3.07 6.12 0.00 -1.26 -5.01 105.19 106.88 1x02 n GLY 134 Ca 0.15 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.62 0.56 -0.16 1.61 -0.21 -1.26 -3.23 119.66 112.34 1x02 s GLN 135 Ca 0.00 -1.01 -0.03 0.00 0.02 0.00 0.00 55.36 54.34 1x02 s GLN 135 Cb 0.00 0.03 0.05 0.00 1.00 0.00 0.00 33.01 34.09 1x02 s GLN 135 CO 0.00 -0.05 0.05 0.08 -2.12 0.00 0.00 175.29 173.25 1x02 s VAL 136 N -2.82 0.30 0.72 1.09 1.01 0.31 -4.50 120.40 116.50 1x02 s VAL 136 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1x02 s VAL 136 Cb -0.00 -0.79 0.15 0.00 0.00 0.00 0.00 36.38 35.74 1x02 s VAL 136 CO -0.05 -0.14 0.99 -0.46 0.00 0.00 0.00 175.10 175.43 1x02 n ASN 137 N 5.14 1.09 -0.02 3.32 0.23 -1.26 0.12 115.26 123.89 1x02 n ASN 137 Ca -0.08 -1.98 -0.12 0.00 -0.53 0.00 0.00 54.58 51.88 1x02 n ASN 137 Cb 0.48 -0.66 -0.06 0.00 -2.08 0.00 0.00 39.78 37.46 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 -0.77 -1.21 0.00 -2.53 3.20 -1.92 0.14 116.97 113.89 1x02 h TYR 138 Ca -0.32 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1x02 h TYR 138 Cb 1.14 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 1x02 h TYR 138 CO 0.00 -0.47 -0.05 1.49 -1.64 0.00 0.00 178.16 177.49 1x02 h GLU 139 N -0.47 -0.07 -1.09 1.82 4.81 -1.94 0.42 114.58 118.07 1x02 h GLU 139 Ca 0.08 0.00 0.38 0.00 -0.13 0.00 0.00 59.36 59.70 1x02 h GLU 139 Cb 0.62 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.86 1x02 h GLU 139 CO -0.42 -0.04 0.64 0.93 -0.73 0.00 0.00 179.01 179.39 1x02 h GLU 140 N -0.07 0.16 -0.27 1.92 5.08 -1.83 0.76 114.58 120.33 1x02 h GLU 140 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1x02 h GLU 140 Cb 0.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1x02 h GLU 140 CO -0.03 0.10 -0.27 0.35 -1.00 0.00 0.00 179.01 178.16 1x02 h PHE 141 N 0.16 0.80 -0.82 4.33 3.57 0.11 -2.84 116.94 122.25 1x02 h PHE 141 Ca 0.79 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 62.04 1x02 h PHE 141 Cb 2.09 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.63 1x02 h PHE 141 CO -0.01 0.97 0.47 0.28 -2.23 0.00 0.00 178.31 177.79 1x02 h VAL 142 N 0.40 1.24 0.32 1.41 2.07 0.49 -2.68 116.25 119.50 1x02 h VAL 142 Ca 0.04 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1x02 h VAL 142 Cb 0.83 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x02 h VAL 142 CO 0.07 0.26 -0.17 1.56 0.02 0.00 0.00 177.57 179.31 1x02 h GLN 143 N 1.13 -0.43 -0.66 1.57 4.20 -1.02 -2.84 115.11 117.06 1x02 h GLN 143 Ca 0.29 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.17 1x02 h GLN 143 Cb 0.00 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.78 1x02 h GLN 143 CO -0.05 -0.29 0.11 1.98 -0.67 0.00 0.00 178.83 179.91 1x02 h MET 144 N -0.45 0.21 -0.94 1.46 4.05 -1.36 0.41 114.93 118.32 1x02 h MET 144 Ca -0.04 -0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.61 1x02 h MET 144 Cb 0.35 -0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 30.97 1x02 h MET 144 CO 0.06 0.14 0.45 0.52 0.23 0.00 0.00 176.91 178.31 1x02 h MET 145 N 0.22 0.40 -2.40 0.39 2.86 -1.23 -2.28 114.93 112.88 1x02 h MET 145 Ca 0.36 -0.02 -0.69 0.00 -2.06 0.00 0.00 59.70 57.29 1x02 h MET 145 Cb 0.59 -0.09 -0.36 0.00 0.06 0.00 0.00 31.60 31.80 1x02 h MET 145 CO -0.49 0.26 0.04 0.25 1.06 0.00 0.00 176.91 178.03 1x02 n THR 146 N -5.03 3.98 -3.49 2.22 -2.24 0.13 -4.89 114.28 104.96 1x02 n THR 146 Ca 0.25 -5.64 -0.27 0.00 -2.27 0.00 0.00 64.05 56.13 1x02 n THR 146 Cb 0.74 -1.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.06 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x02 n ALA 147 N 0.51 3.13 -1.13 6.98 0.00 -0.86 -4.94 120.51 124.19 1x02 n ALA 147 Ca 0.32 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1x02 n ALA 147 Cb 0.36 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1x02 n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86