#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 n ASP 2 N 0.00 0.33 -1.22 0.00 8.00 -1.26 -4.15 116.55 118.25 1x02 n ASP 2 Ca 0.00 -0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.44 1x02 n ASP 2 Cb 0.00 1.44 0.12 0.00 -0.02 0.00 0.00 41.12 42.67 1x02 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x02 n GLN 3 N -2.25 2.13 -3.59 -1.24 6.02 -1.26 -4.57 117.38 112.62 1x02 n GLN 3 Ca -0.02 -1.21 -0.29 0.00 -0.01 0.00 0.00 57.00 55.46 1x02 n GLN 3 Cb 0.53 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.17 1.79 0.09 1.08 1.43 -1.26 -4.62 118.68 116.03 1x02 s LEU 4 Ca 0.22 -2.32 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 1x02 s LEU 4 Cb 0.17 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1x02 s LEU 4 CO 0.05 -0.30 0.00 0.41 0.23 0.00 0.00 176.35 176.74 1x02 n THR 5 N 3.90 0.33 0.00 5.49 -1.04 -1.26 -4.87 114.28 116.83 1x02 n THR 5 Ca 0.09 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1x02 n THR 5 Cb 0.36 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 -2.97 2.03 0.02 -2.82 -0.58 -1.26 -4.41 120.64 110.65 1x02 n GLU 6 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1x02 n GLU 6 Cb 0.00 -0.74 0.16 0.00 -0.57 0.00 0.00 31.44 30.29 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 0.00 3.49 9.09 -1.95 -2.59 114.58 123.09 1x02 h GLU 7 Ca 0.00 -0.21 -0.10 0.00 0.05 0.00 0.00 59.36 59.10 1x02 h GLU 7 Cb 0.46 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 1x02 h GLU 7 CO 0.00 0.76 -0.98 1.04 0.05 0.00 0.00 179.01 179.88 1x02 n GLN 8 N -4.06 0.51 -0.33 1.06 1.13 -1.26 -4.10 117.38 110.33 1x02 n GLN 8 Ca -0.01 0.45 0.22 0.00 -1.94 0.00 0.00 57.00 55.72 1x02 n GLN 8 Cb 0.47 -1.64 0.44 0.00 0.11 0.00 0.00 30.24 29.63 1x02 n GLN 8 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1x02 h ILE 9 N -1.00 0.32 -0.82 5.09 5.03 -1.77 0.53 117.51 124.88 1x02 h ILE 9 Ca -0.15 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.51 1x02 h ILE 9 Cb 0.90 -0.04 -0.05 0.00 -3.03 0.00 0.00 36.82 34.60 1x02 h ILE 9 CO -0.09 0.06 0.53 0.00 -0.68 0.00 0.00 178.15 177.96 1x02 h ALA 10 N 1.83 1.08 0.20 1.87 0.00 -1.66 0.31 119.26 122.90 1x02 h ALA 10 Ca 0.70 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 1x02 h ALA 10 Cb 1.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x02 h ALA 10 CO -0.60 0.35 -0.10 0.93 0.00 0.00 0.00 179.25 179.83 1x02 h GLU 11 N 1.02 -0.26 0.00 0.00 5.08 -0.13 -1.35 114.58 118.94 1x02 h GLU 11 Ca 0.33 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1x02 h GLU 11 Cb 0.01 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1x02 h GLU 11 CO -0.11 0.07 -0.08 0.74 -1.00 0.00 0.00 179.01 178.63 1x02 h PHE 12 N -0.64 0.00 0.41 4.33 0.04 -1.14 -1.52 116.94 118.42 1x02 h PHE 12 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1x02 h PHE 12 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1x02 h PHE 12 CO 0.03 0.08 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.40 1x02 h LYS 13 N 0.00 -0.53 -0.62 1.51 3.64 -0.28 -2.33 116.57 117.96 1x02 h LYS 13 Ca -0.00 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1x02 h LYS 13 Cb 0.14 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 1x02 h LYS 13 CO 0.01 -0.36 0.16 0.93 -2.27 0.00 0.00 179.45 177.93 1x02 h GLU 14 N -1.03 0.29 0.00 1.90 4.39 -1.16 1.15 114.58 120.12 1x02 h GLU 14 Ca -0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 14 Cb 0.42 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1x02 h GLU 14 CO 0.09 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 1x02 n ALA 15 N -2.57 1.51 0.35 3.43 0.00 -0.58 -1.92 120.51 120.73 1x02 n ALA 15 Ca 0.09 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1x02 n ALA 15 Cb 0.33 -1.28 -0.08 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 -1.90 0.00 0.08 0.00 -0.00 0.17 -4.41 117.46 111.41 1x02 n PHE 16 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.31 1x02 n PHE 16 Cb 0.16 -0.10 -0.14 0.00 -0.00 0.00 0.00 39.48 39.39 1x02 n PHE 16 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1x02 h SER 17 N 0.00 0.37 -0.40 -2.13 0.02 0.17 -2.90 113.55 108.69 1x02 h SER 17 Ca 0.00 -0.44 -0.12 0.00 -0.84 0.00 0.00 61.79 60.39 1x02 h SER 17 Cb 0.38 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1x02 h SER 17 CO 0.00 1.35 -0.21 0.17 -1.14 0.00 0.00 176.83 177.00 1x02 h LEU 18 N 0.06 0.92 -0.20 5.07 -0.00 -1.72 -3.16 115.31 116.28 1x02 h LEU 18 Ca -0.17 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.88 57.27 1x02 h LEU 18 Cb 1.98 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 42.38 1x02 h LEU 18 CO 0.18 1.10 -0.28 -0.26 -0.00 0.00 0.00 178.44 179.19 1x02 h PHE 19 N 0.78 0.66 -1.53 0.17 0.04 -1.77 -3.40 116.94 111.90 1x02 h PHE 19 Ca 0.11 -0.22 -0.42 0.00 2.80 0.00 0.00 57.97 60.23 1x02 h PHE 19 Cb 0.76 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1x02 h PHE 19 CO 0.05 0.93 1.14 0.34 -0.60 0.00 0.00 178.31 180.16 1x02 s ASP 20 N -6.42 5.19 -0.04 2.17 2.15 -1.09 -4.67 116.67 113.96 1x02 s ASP 20 Ca -0.13 0.01 -0.10 0.00 0.43 0.00 0.00 52.55 52.76 1x02 s ASP 20 Cb 0.07 -2.54 -0.31 0.00 -0.30 0.00 0.00 42.92 39.84 1x02 s ASP 20 CO 0.80 -2.53 0.71 0.11 -0.17 0.00 0.00 175.17 174.09 1x02 h LYS 21 N 13.82 0.38 -0.46 4.34 1.79 -1.81 -3.35 116.57 131.28 1x02 h LYS 21 Ca -0.14 -0.65 0.02 0.00 -2.18 0.00 0.00 60.65 57.70 1x02 h LYS 21 Cb 1.11 0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.97 1x02 h LYS 21 CO 1.21 1.29 0.27 -0.44 -1.08 0.00 0.00 179.45 180.71 1x02 h ASP 22 N 0.10 0.44 0.00 0.86 3.32 -1.88 -3.47 116.42 115.80 1x02 h ASP 22 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1x02 h ASP 22 Cb 2.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.55 1x02 h ASP 22 CO 0.18 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1x02 n GLY 23 N -1.23 2.02 0.29 2.75 0.00 -1.26 -4.94 105.19 102.82 1x02 n GLY 23 Ca 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1x02 n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x02 h ASP 24 N 0.94 -0.71 0.00 1.61 2.03 -1.92 -3.45 116.42 114.92 1x02 h ASP 24 Ca 0.00 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1x02 h ASP 24 Cb 0.00 0.48 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1x02 h ASP 24 CO 0.00 -0.25 0.00 0.61 -1.03 0.00 0.00 179.24 178.57 1x02 n GLY 25 N -1.51 0.79 3.14 7.15 0.00 -1.26 -5.10 105.19 108.40 1x02 n GLY 25 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.07 0.14 -0.33 2.61 -4.23 -1.26 -3.47 115.64 108.02 1x02 s THR 26 Ca 0.00 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1x02 s THR 26 Cb 0.00 -1.88 0.11 0.00 1.34 0.00 0.00 72.50 72.08 1x02 s THR 26 CO 0.00 -0.62 0.14 -0.63 -0.54 0.00 0.00 174.62 172.97 1x02 s ILE 27 N -4.01 0.60 0.47 2.99 1.01 -0.39 -4.53 121.20 117.34 1x02 s ILE 27 Ca 0.19 -1.45 0.07 0.00 0.00 0.00 0.00 60.65 59.46 1x02 s ILE 27 Cb 0.07 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1x02 s ILE 27 CO -0.02 -0.77 0.45 0.28 0.00 0.00 0.00 174.94 174.88 1x02 s THR 28 N 1.48 2.37 0.33 2.92 -1.32 -1.26 -2.59 115.64 117.57 1x02 s THR 28 Ca 0.12 -1.32 0.14 0.00 -1.21 0.00 0.00 61.69 59.42 1x02 s THR 28 Cb -0.19 -2.69 0.35 0.00 -1.51 0.00 0.00 72.50 68.47 1x02 s THR 28 CO -0.21 0.00 1.48 0.35 -2.21 0.00 0.00 174.62 174.03 1x02 n THR 29 N -1.70 -0.39 -0.20 5.08 -2.24 -1.26 0.15 114.28 113.72 1x02 n THR 29 Ca 0.04 1.96 -0.04 0.00 -2.27 0.00 0.00 64.05 63.74 1x02 n THR 29 Cb 0.62 -3.07 0.06 0.00 -2.10 0.00 0.00 70.33 65.84 1x02 n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1x02 h LYS 30 N 0.00 0.62 0.00 -0.78 3.64 -1.96 0.56 116.57 118.65 1x02 h LYS 30 Ca 0.72 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1x02 h LYS 30 Cb 1.79 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1x02 h LYS 30 CO -0.78 0.41 -0.04 0.93 -2.27 0.00 0.00 179.45 177.70 1x02 h GLU 31 N 0.64 0.00 -0.99 1.90 5.08 0.11 -3.00 114.58 118.31 1x02 h GLU 31 Ca 0.24 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.83 1x02 h GLU 31 Cb 0.09 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 1x02 h GLU 31 CO -0.13 0.00 0.63 1.25 -1.00 0.00 0.00 179.01 179.76 1x02 h LEU 32 N -0.63 0.57 -0.98 1.33 5.85 -0.47 0.58 115.31 121.56 1x02 h LEU 32 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1x02 h LEU 32 Cb 0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1x02 h LEU 32 CO 0.00 0.17 -0.08 1.23 -0.34 0.00 0.00 178.44 179.42 1x02 h GLY 33 N 0.54 0.00 2.00 3.75 0.00 -0.00 0.29 103.07 109.64 1x02 h GLY 33 Ca 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.75 1x02 h GLY 33 CO -0.31 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.51 1x02 h THR 34 N 0.00 1.23 0.00 4.70 1.03 0.30 -3.16 112.91 117.01 1x02 h THR 34 Ca -0.00 -2.73 -0.38 0.00 -0.01 0.00 0.00 66.41 63.29 1x02 h THR 34 Cb 0.72 2.61 -0.07 0.00 -1.07 0.00 0.00 68.15 70.34 1x02 h THR 34 CO 0.01 0.70 -2.40 0.52 -0.01 0.00 0.00 175.52 174.34 1x02 n VAL 35 N -3.28 1.45 -0.16 0.00 0.31 -0.87 -4.07 118.33 111.71 1x02 n VAL 35 Ca 0.01 -0.72 -0.06 0.00 -0.01 0.00 0.00 64.34 63.56 1x02 n VAL 35 Cb 0.82 -0.97 0.03 0.00 -0.91 0.00 0.00 33.84 32.81 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 0.60 0.00 5.55 2.86 -0.56 -1.29 114.93 122.09 1x02 h MET 36 Ca -0.55 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.04 1x02 h MET 36 Cb 2.07 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 1x02 h MET 36 CO -0.02 0.40 -0.05 0.07 1.06 0.00 0.00 176.91 178.37 1x02 h ARG 37 N 0.62 0.00 -0.30 1.72 -0.00 -1.76 -2.73 114.38 111.93 1x02 h ARG 37 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.12 1x02 h ARG 37 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 1x02 h ARG 37 CO -0.07 0.05 -0.04 0.77 -0.00 0.00 0.00 179.97 180.68 1x02 h SER 38 N 0.00 0.45 0.34 0.08 0.02 -1.38 -2.91 113.55 110.16 1x02 h SER 38 Ca -0.00 -0.09 -0.33 0.00 -0.84 0.00 0.00 61.79 60.54 1x02 h SER 38 Cb 0.49 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 62.94 1x02 h SER 38 CO 0.01 0.54 -1.43 -0.07 -1.14 0.00 0.00 176.83 174.74 1x02 h LEU 39 N 0.45 0.76 0.00 5.07 3.38 -1.44 -3.48 115.31 120.06 1x02 h LEU 39 Ca 0.10 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1x02 h LEU 39 Cb 0.36 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1x02 h LEU 39 CO 0.01 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1x02 n GLY 40 N 1.68 0.49 0.16 0.83 0.00 -1.10 -5.09 105.19 102.16 1x02 n GLY 40 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.21 -3.13 1.61 1.13 -1.11 -5.02 117.38 111.07 1x02 n GLN 41 Ca 0.00 0.08 -0.14 0.00 -1.94 0.00 0.00 57.00 55.00 1x02 n GLN 41 Cb 0.00 -0.84 0.07 0.00 0.11 0.00 0.00 30.24 29.58 1x02 n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1x02 n ASN 42 N -3.34 -4.02 -4.77 1.08 5.15 -1.26 -4.94 115.26 103.16 1x02 n ASN 42 Ca -0.06 -0.58 -0.37 0.00 -0.60 0.00 0.00 54.58 52.98 1x02 n ASN 42 Cb 0.21 -4.56 -0.01 0.00 -0.53 0.00 0.00 39.78 34.90 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x02 s PRO 43 N -4.70 3.65 0.59 1.20 0.04 -1.26 -5.04 135.00 129.49 1x02 s PRO 43 Ca 0.20 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 1x02 s PRO 43 Cb -0.03 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1x02 s PRO 43 CO 0.64 -0.63 0.94 0.95 0.04 0.00 0.00 177.00 178.94 1x02 s THR 44 N -1.61 4.06 0.22 1.26 -4.23 -1.26 -4.70 115.64 109.39 1x02 s THR 44 Ca 0.66 0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 61.27 1x02 s THR 44 Cb -0.27 -3.61 0.21 0.00 1.34 0.00 0.00 72.50 70.17 1x02 s THR 44 CO 0.33 -0.69 1.56 -0.33 -0.54 0.00 0.00 174.62 174.94 1x02 h GLU 45 N -0.21 -0.04 -0.88 3.99 5.08 -1.98 0.98 114.58 121.52 1x02 h GLU 45 Ca -0.45 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1x02 h GLU 45 Cb 1.23 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1x02 h GLU 45 CO 0.62 -0.03 0.57 0.00 -1.00 0.00 0.00 179.01 179.17 1x02 h ALA 46 N 1.29 1.88 0.05 3.43 0.00 -1.99 0.21 119.26 124.14 1x02 h ALA 46 Ca 0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1x02 h ALA 46 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1x02 h ALA 46 CO -0.91 -0.13 -0.02 0.93 0.00 0.00 0.00 179.25 179.12 1x02 h GLU 47 N 0.65 -0.07 -0.51 0.00 4.39 0.46 -1.56 114.58 117.95 1x02 h GLU 47 Ca 0.44 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.19 1x02 h GLU 47 Cb 0.76 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.39 1x02 h GLU 47 CO -0.20 0.51 0.26 -0.07 -1.16 0.00 0.00 179.01 178.36 1x02 h LEU 48 N -0.72 0.39 -0.23 1.33 3.38 0.02 0.30 115.31 119.78 1x02 h LEU 48 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1x02 h LEU 48 Cb 0.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1x02 h LEU 48 CO 0.01 0.27 0.06 1.56 0.09 0.00 0.00 178.44 180.44 1x02 h GLN 49 N 0.52 0.37 -0.61 1.13 1.08 -0.69 0.17 115.11 117.08 1x02 h GLN 49 Ca 0.22 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1x02 h GLN 49 Cb 0.11 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1x02 h GLN 49 CO -0.14 0.46 0.20 -0.44 -0.95 0.00 0.00 178.83 177.96 1x02 h ASP 50 N 0.20 0.84 0.02 1.46 5.19 -0.92 0.27 116.42 123.49 1x02 h ASP 50 Ca 0.07 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1x02 h ASP 50 Cb 0.26 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1x02 h ASP 50 CO -0.00 0.78 -0.01 0.24 -3.12 0.00 0.00 179.24 177.13 1x02 h MET 51 N 0.89 -0.03 -0.52 3.56 2.86 -0.22 -3.13 114.93 118.34 1x02 h MET 51 Ca 0.20 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1x02 h MET 51 Cb 0.24 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1x02 h MET 51 CO -0.01 0.52 0.20 0.82 1.06 0.00 0.00 176.91 179.49 1x02 h ILE 52 N -0.60 1.22 -0.72 -1.22 2.04 -0.58 -2.93 117.51 114.72 1x02 h ILE 52 Ca -0.00 -0.69 0.16 0.00 1.00 0.00 0.00 64.86 65.32 1x02 h ILE 52 Cb 0.56 0.70 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 1x02 h ILE 52 CO 0.01 0.26 0.10 0.78 0.00 0.00 0.00 178.15 179.30 1x02 h ASN 53 N 0.70 -0.13 -0.76 1.72 2.35 -0.54 0.44 115.58 119.37 1x02 h ASN 53 Ca 0.17 0.16 0.17 0.00 -0.55 0.00 0.00 56.30 56.26 1x02 h ASN 53 Cb 0.21 0.25 -0.13 0.00 0.05 0.00 0.00 38.32 38.70 1x02 h ASN 53 CO -0.01 -0.09 0.04 -0.33 -1.65 0.00 0.00 177.43 175.39 1x02 h GLU 54 N 0.19 0.13 0.24 0.81 4.39 -1.45 -1.15 114.58 117.74 1x02 h GLU 54 Ca 0.40 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.76 1x02 h GLU 54 Cb 0.69 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1x02 h GLU 54 CO -0.55 0.08 -1.45 0.28 -1.16 0.00 0.00 179.01 176.21 1x02 h VAL 55 N 0.13 1.32 -0.58 3.13 2.07 -1.09 -3.46 116.25 117.77 1x02 h VAL 55 Ca 0.42 -2.76 -0.81 0.00 0.82 0.00 0.00 66.70 64.37 1x02 h VAL 55 Cb 0.75 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1x02 h VAL 55 CO -0.64 0.83 1.03 -0.67 0.02 0.00 0.00 177.57 178.13 1x02 n ASP 56 N -3.69 1.12 -0.03 0.57 2.03 0.14 -4.82 116.55 111.88 1x02 n ASP 56 Ca -0.16 0.91 -0.05 0.00 0.52 0.00 0.00 54.79 56.01 1x02 n ASP 56 Cb 1.09 -0.93 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 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 6.00 1.88 -0.47 -1.67 0.00 -1.26 -4.62 120.51 120.37 1x02 n ALA 57 Ca 0.42 -0.44 0.38 0.00 0.00 0.00 0.00 53.44 53.80 1x02 n ALA 57 Cb -0.02 0.14 0.67 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.53 0.21 -0.06 0.00 3.04 -1.92 -3.44 116.42 113.72 1x02 h ASP 58 Ca -0.02 0.12 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1x02 h ASP 58 Cb 0.57 0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 1x02 h ASP 58 CO -0.01 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.63 1x02 n GLY 59 N -1.56 1.30 0.61 7.15 0.00 -1.26 -5.03 105.19 106.40 1x02 n GLY 59 Ca 0.38 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 0.17 1.09 0.00 1.61 6.94 -1.26 -5.06 115.26 118.75 1x02 n ASN 60 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1x02 n ASN 60 Cb 0.05 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 2.57 1.47 2.89 4.83 0.00 -1.26 -5.14 105.19 110.55 1x02 n GLY 61 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N -1.47 -0.05 -0.76 2.61 -4.23 -1.26 -4.81 115.64 105.67 1x02 s THR 62 Ca 0.00 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.41 1x02 s THR 62 Cb 0.00 -0.19 0.02 0.00 1.34 0.00 0.00 72.50 73.67 1x02 s THR 62 CO 0.00 0.07 1.41 -0.63 -0.54 0.00 0.00 174.62 174.93 1x02 s ILE 63 N 1.00 3.68 0.21 2.99 1.01 -1.07 -4.79 121.20 124.23 1x02 s ILE 63 Ca -0.08 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 1x02 s ILE 63 Cb -0.10 -4.76 0.05 0.00 0.01 0.00 0.00 42.46 37.65 1x02 s ILE 63 CO -0.04 -1.70 0.28 0.47 0.00 0.00 0.00 174.94 173.95 1x02 n ASP 64 N 9.97 0.09 -0.20 3.58 9.92 -1.26 -1.27 116.55 137.39 1x02 n ASP 64 Ca 0.11 -1.14 -0.02 0.00 -0.53 0.00 0.00 54.79 53.20 1x02 n ASP 64 Cb 0.50 -0.21 0.08 0.00 -0.64 0.00 0.00 41.12 40.85 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1x02 h PHE 65 N -0.99 0.51 -0.38 1.24 3.57 -1.94 0.30 116.94 119.25 1x02 h PHE 65 Ca -0.09 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1x02 h PHE 65 Cb 0.27 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1x02 h PHE 65 CO 0.00 0.22 -0.38 -1.00 -2.23 0.00 0.00 178.31 174.91 1x02 h PRO 66 N 0.52 0.91 0.01 6.41 0.13 -1.93 -3.24 132.00 134.82 1x02 h PRO 66 Ca 0.27 -0.48 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1x02 h PRO 66 Cb 0.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1x02 h PRO 66 CO -0.21 1.13 -0.00 0.93 -0.23 0.00 0.00 178.00 179.62 1x02 h GLU 67 N 0.75 -0.01 -0.99 0.86 3.07 -1.78 -3.14 114.58 113.34 1x02 h GLU 67 Ca 0.06 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.27 1x02 h GLU 67 Cb 0.97 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.72 1x02 h GLU 67 CO 0.09 0.42 0.47 0.35 -1.40 0.00 0.00 179.01 178.95 1x02 h PHE 68 N -0.45 0.74 -0.95 4.33 3.04 -0.48 1.01 116.94 124.18 1x02 h PHE 68 Ca -0.00 0.04 0.13 0.00 3.98 0.00 0.00 57.97 62.13 1x02 h PHE 68 Cb 0.44 -0.16 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 1x02 h PHE 68 CO 0.08 -0.33 0.61 -0.07 -2.02 0.00 0.00 178.31 176.57 1x02 h LEU 69 N 0.15 0.80 -0.27 0.59 3.38 -1.57 -1.54 115.31 116.85 1x02 h LEU 69 Ca 0.75 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.77 1x02 h LEU 69 Cb 1.82 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1x02 h LEU 69 CO -0.71 0.41 0.18 0.74 0.09 0.00 0.00 178.44 179.15 1x02 h THR 70 N 0.85 1.07 -0.09 0.22 2.02 0.95 -2.57 112.91 115.37 1x02 h THR 70 Ca 0.48 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.57 1x02 h THR 70 Cb 0.62 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1x02 h THR 70 CO -0.25 0.07 -0.16 -0.03 0.37 0.00 0.00 175.52 175.52 1x02 h MET 71 N 0.37 -0.21 -0.95 6.66 1.85 -1.23 -1.37 114.93 120.04 1x02 h MET 71 Ca 0.10 0.01 0.19 0.00 -0.61 0.00 0.00 59.70 59.39 1x02 h MET 71 Cb -0.04 0.05 -0.08 0.00 0.43 0.00 0.00 31.60 31.95 1x02 h MET 71 CO -0.02 -0.14 0.61 0.52 -0.40 0.00 0.00 176.91 177.47 1x02 h MET 72 N -0.22 0.59 0.02 0.39 2.07 -1.30 0.92 114.93 117.39 1x02 h MET 72 Ca 0.08 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1x02 h MET 72 Cb 0.34 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1x02 h MET 72 CO -0.22 0.39 -0.01 0.00 1.07 0.00 0.00 176.91 178.14 1x02 h ALA 73 N 1.62 -0.02 -0.12 6.32 0.00 -0.85 0.63 119.26 126.84 1x02 h ALA 73 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1x02 h ALA 73 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x02 h ALA 73 CO -0.26 -0.51 0.00 2.89 0.00 0.00 0.00 179.25 181.36 1x02 n ARG 74 N -5.10 1.72 -0.01 0.00 -4.01 -0.48 -3.71 116.66 105.08 1x02 n ARG 74 Ca -0.07 -1.07 0.06 0.00 -1.04 0.00 0.00 57.85 55.73 1x02 n ARG 74 Cb 0.04 -1.43 -0.10 0.00 -3.04 0.00 0.00 32.46 27.93 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 0.30 0.46 -0.22 2.89 3.00 0.31 -4.49 118.16 120.40 1x02 n LYS 75 Ca 0.17 -0.12 0.26 0.00 -0.00 0.00 0.00 58.31 58.62 1x02 n LYS 75 Cb 0.34 -1.32 0.64 0.00 0.00 0.00 0.00 35.03 34.70 1x02 n LYS 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1x02 h MET 76 N 0.00 0.15 0.00 1.64 2.86 0.18 0.81 114.93 120.57 1x02 h MET 76 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1x02 h MET 76 Cb 0.65 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1x02 h MET 76 CO 0.00 0.10 -0.19 1.57 1.06 0.00 0.00 176.91 179.46 1x02 h LYS 77 N 0.16 0.00 -0.96 1.72 5.09 -1.81 -3.29 116.57 117.48 1x02 h LYS 77 Ca 0.47 0.00 0.21 0.00 0.09 0.00 0.00 60.65 61.41 1x02 h LYS 77 Cb 1.57 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.79 1x02 h LYS 77 CO -0.09 0.19 0.53 0.38 -2.09 0.00 0.00 179.45 178.37 1x02 h ASP 78 N 0.00 0.62 1.48 7.07 2.03 0.40 0.45 116.42 128.47 1x02 h ASP 78 Ca -0.00 0.12 -0.05 0.00 -0.73 0.00 0.00 57.03 56.37 1x02 h ASP 78 Cb 1.11 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1x02 h ASP 78 CO 0.02 0.16 -0.23 0.00 -1.03 0.00 0.00 179.24 178.16 1x02 h THR 79 N 0.61 0.44 -1.12 1.15 1.03 -1.64 -3.30 112.91 110.08 1x02 h THR 79 Ca 0.58 -1.42 0.37 0.00 -0.01 0.00 0.00 66.41 65.92 1x02 h THR 79 Cb 0.99 2.06 -0.09 0.00 -1.07 0.00 0.00 68.15 70.03 1x02 h THR 79 CO -0.44 0.23 0.74 -0.67 -0.01 0.00 0.00 175.52 175.38 1x02 n ASP 80 N -3.21 0.12 -0.41 0.00 2.03 0.16 -0.21 116.55 115.03 1x02 n ASP 80 Ca 0.02 0.96 0.32 0.00 0.52 0.00 0.00 54.79 56.62 1x02 n ASP 80 Cb 0.56 -0.47 0.52 0.00 -0.72 0.00 0.00 41.12 41.01 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x02 n SER 81 N -4.00 0.09 -0.19 1.67 7.64 -1.25 -0.94 113.62 116.63 1x02 n SER 81 Ca 0.31 0.87 0.03 0.00 1.01 0.00 0.00 58.87 61.08 1x02 n SER 81 Cb 1.24 -0.43 0.07 0.00 -1.01 0.00 0.00 64.21 64.07 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 -3.79 -0.06 0.08 1.43 2.13 0.70 0.21 120.64 121.34 1x02 n GLU 82 Ca 0.30 0.82 -0.12 0.00 0.66 0.00 0.00 57.16 58.82 1x02 n GLU 82 Cb 1.25 -1.23 -0.06 0.00 0.27 0.00 0.00 31.44 31.67 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 -0.16 -1.63 5.31 5.08 -1.32 -2.21 114.58 119.65 1x02 h GLU 83 Ca 0.24 0.01 0.47 0.00 -1.00 0.00 0.00 59.36 59.09 1x02 h GLU 83 Cb 0.37 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1x02 h GLU 83 CO -0.54 -0.11 1.17 0.39 -1.00 0.00 0.00 179.01 178.92 1x02 n GLU 84 N -5.19 -0.00 0.00 2.33 -0.58 0.56 0.21 120.64 117.98 1x02 n GLU 84 Ca -0.07 0.89 -0.18 0.00 -0.42 0.00 0.00 57.16 57.38 1x02 n GLU 84 Cb 0.12 -2.05 -0.13 0.00 -0.57 0.00 0.00 31.44 28.80 1x02 n GLU 84 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1x02 h ILE 85 N 0.00 1.59 -0.89 -3.67 2.04 -1.31 -3.33 117.51 111.95 1x02 h ILE 85 Ca 0.77 -2.37 0.12 0.00 1.00 0.00 0.00 64.86 64.38 1x02 h ILE 85 Cb 3.11 3.16 -0.14 0.00 -0.74 0.00 0.00 36.82 42.21 1x02 h ILE 85 CO -0.01 0.66 -0.44 0.03 0.00 0.00 0.00 178.15 178.38 1x02 h ARG 86 N -0.54 -0.06 -0.99 2.37 -0.00 0.26 0.76 114.38 116.18 1x02 h ARG 86 Ca -0.08 0.00 0.19 0.00 -0.50 0.00 0.00 59.98 59.59 1x02 h ARG 86 Cb 1.36 0.01 -0.10 0.00 0.00 0.00 0.00 29.97 31.24 1x02 h ARG 86 CO 0.09 -0.04 0.61 0.93 0.00 0.00 0.00 179.97 181.57 1x02 h GLU 87 N -0.06 0.69 -0.30 0.04 4.39 -1.67 -0.67 114.58 117.00 1x02 h GLU 87 Ca 0.26 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1x02 h GLU 87 Cb 0.55 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1x02 h GLU 87 CO -0.90 0.46 0.18 0.00 -1.16 0.00 0.00 179.01 177.58 1x02 h ALA 88 N 1.63 0.38 -0.92 3.43 0.00 0.39 -2.42 119.26 121.76 1x02 h ALA 88 Ca 0.56 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.59 1x02 h ALA 88 Cb 0.94 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1x02 h ALA 88 CO -0.34 -0.12 0.59 0.35 0.00 0.00 0.00 179.25 179.74 1x02 h PHE 89 N 0.38 0.78 0.29 0.00 3.57 -0.26 -1.85 116.94 119.85 1x02 h PHE 89 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1x02 h PHE 89 Cb 0.02 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1x02 h PHE 89 CO -0.04 0.24 -0.14 0.00 -2.23 0.00 0.00 178.31 176.14 1x02 h ARG 90 N 0.61 -0.38 -0.86 1.11 3.08 -1.21 -2.80 114.38 113.94 1x02 h ARG 90 Ca 0.48 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.77 1x02 h ARG 90 Cb 0.90 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 30.89 1x02 h ARG 90 CO -0.23 -0.16 0.05 0.28 -1.07 0.00 0.00 179.97 178.84 1x02 h VAL 91 N -0.53 0.23 -0.42 2.04 2.07 -1.14 0.24 116.25 118.73 1x02 h VAL 91 Ca -0.04 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1x02 h VAL 91 Cb 0.40 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1x02 h VAL 91 CO 0.07 0.02 0.26 -0.26 0.02 0.00 0.00 177.57 177.67 1x02 h PHE 92 N 0.10 0.49 -2.60 1.57 0.04 -1.39 -3.39 116.94 111.75 1x02 h PHE 92 Ca 0.50 0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.71 1x02 h PHE 92 Cb 0.95 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 1x02 h PHE 92 CO -0.42 0.29 1.28 0.34 -0.60 0.00 0.00 178.31 179.20 1x02 s ASP 93 N -5.54 5.83 0.00 2.17 -1.08 0.84 -4.46 116.67 114.43 1x02 s ASP 93 Ca -0.13 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.09 1x02 s ASP 93 Cb 0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1x02 s ASP 93 CO 0.73 -1.78 0.05 0.29 0.52 0.00 0.00 175.17 174.98 1x02 n LYS 94 N 8.50 0.00 -0.25 4.34 5.02 -1.26 -4.23 118.16 130.27 1x02 n LYS 94 Ca 0.23 0.44 0.05 0.00 -2.02 0.00 0.00 58.31 57.01 1x02 n LYS 94 Cb 0.47 -0.97 0.17 0.00 -0.02 0.00 0.00 35.03 34.69 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 0.00 -0.19 -0.08 4.39 3.04 -1.94 -3.46 116.42 118.19 1x02 h ASP 95 Ca 0.00 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1x02 h ASP 95 Cb 0.00 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 1x02 h ASP 95 CO 0.00 -0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 1x02 n GLY 96 N -1.39 1.11 0.14 7.15 0.00 -1.26 -5.04 105.19 105.90 1x02 n GLY 96 Ca 0.14 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 0.14 1.97 0.00 1.61 6.94 -1.26 -5.05 115.26 119.60 1x02 n ASN 97 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 1x02 n ASN 97 Cb 0.04 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 1.66 3.34 3.80 4.83 0.00 -1.26 -5.13 105.19 112.43 1x02 n GLY 98 Ca -0.51 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 3.69 -0.51 1.61 1.51 -1.26 -3.12 117.35 119.26 1x02 s TYR 99 Ca 0.00 1.04 -0.10 0.00 -1.01 0.00 0.00 57.07 57.01 1x02 s TYR 99 Cb 0.00 -2.42 0.13 0.00 -0.11 0.00 0.00 41.96 39.56 1x02 s TYR 99 CO 0.00 0.50 0.39 0.42 -1.11 0.00 0.00 175.55 175.75 1x02 s ILE 100 N -0.62 4.36 1.08 2.71 1.01 0.24 -4.82 121.20 125.15 1x02 s ILE 100 Ca 0.26 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.89 1x02 s ILE 100 Cb -0.17 -3.85 0.24 0.00 0.01 0.00 0.00 42.46 38.69 1x02 s ILE 100 CO 0.14 -0.81 1.06 -0.94 0.00 0.00 0.00 174.94 174.39 1x02 s SER 101 N 2.59 1.75 0.25 3.58 1.04 -1.26 -1.13 113.70 120.52 1x02 s SER 101 Ca 0.07 1.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 1x02 s SER 101 Cb -0.25 -2.20 0.37 0.00 0.10 0.00 0.00 66.02 64.04 1x02 s SER 101 CO -0.01 -3.72 1.87 0.00 0.98 0.00 0.00 173.24 172.36 1x02 h ALA 102 N -2.29 1.29 0.64 5.32 0.00 -1.96 -2.66 119.26 119.59 1x02 h ALA 102 Ca -0.57 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1x02 h ALA 102 Cb 1.32 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1x02 h ALA 102 CO 0.52 0.37 -0.31 0.00 0.00 0.00 0.00 179.25 179.84 1x02 h ALA 103 N 1.43 -0.85 -0.41 0.00 0.00 -1.92 0.32 119.26 117.83 1x02 h ALA 103 Ca 0.40 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1x02 h ALA 103 Cb 0.16 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1x02 h ALA 103 CO -0.17 -0.93 -0.41 0.93 0.00 0.00 0.00 179.25 178.67 1x02 h GLU 104 N -0.95 -0.20 -0.50 0.00 5.08 -1.85 0.21 114.58 116.37 1x02 h GLU 104 Ca -0.09 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x02 h GLU 104 Cb 0.68 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1x02 h GLU 104 CO 0.14 -0.13 0.31 1.25 -1.00 0.00 0.00 179.01 179.58 1x02 h LEU 105 N -0.20 0.59 -0.34 1.33 6.46 -1.52 -2.51 115.31 119.12 1x02 h LEU 105 Ca 0.07 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1x02 h LEU 105 Cb 0.39 -0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 1x02 h LEU 105 CO -0.49 0.46 -0.32 -0.09 -0.62 0.00 0.00 178.44 177.37 1x02 h ARG 106 N 0.67 -0.27 -0.64 1.25 2.43 0.85 0.17 114.38 118.85 1x02 h ARG 106 Ca 0.18 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1x02 h ARG 106 Cb -0.03 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1x02 h ARG 106 CO -0.04 -0.18 0.36 1.25 -1.51 0.00 0.00 179.97 179.85 1x02 h HIS 107 N -0.28 0.65 0.17 2.20 2.76 -0.47 -2.68 115.15 117.51 1x02 h HIS 107 Ca 0.16 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1x02 h HIS 107 Cb 0.54 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1x02 h HIS 107 CO -0.51 0.32 -0.13 0.28 -1.30 0.00 0.00 177.93 176.59 1x02 h VAL 108 N 0.66 0.73 -0.86 5.26 2.07 -0.73 -2.71 116.25 120.67 1x02 h VAL 108 Ca 0.28 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.02 1x02 h VAL 108 Cb 0.17 0.73 -0.15 0.00 -1.52 0.00 0.00 31.29 30.52 1x02 h VAL 108 CO -0.17 0.00 0.09 0.24 0.02 0.00 0.00 177.57 177.74 1x02 h MET 109 N -0.30 0.11 -0.70 1.57 2.07 -0.40 0.85 114.93 118.12 1x02 h MET 109 Ca -0.01 -0.01 0.14 0.00 -2.07 0.00 0.00 59.70 57.75 1x02 h MET 109 Cb 0.27 -0.03 -0.13 0.00 -1.87 0.00 0.00 31.60 29.84 1x02 h MET 109 CO -0.00 0.07 -0.20 1.15 1.07 0.00 0.00 176.91 179.00 1x02 h THR 110 N 0.12 0.26 -0.70 2.22 2.02 -1.27 0.05 112.91 115.61 1x02 h THR 110 Ca 0.51 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.82 1x02 h THR 110 Cb 0.98 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 67.52 1x02 h THR 110 CO -0.73 0.00 -0.22 0.78 0.37 0.00 0.00 175.52 175.72 1x02 h ASN 111 N -0.02 -0.80 -0.82 4.18 4.21 -0.87 0.12 115.58 121.57 1x02 h ASN 111 Ca 0.33 0.22 0.31 0.00 1.21 0.00 0.00 56.30 58.37 1x02 h ASN 111 Cb 0.53 0.48 -0.15 0.00 -1.12 0.00 0.00 38.32 38.07 1x02 h ASN 111 CO -0.74 -0.26 0.32 0.18 -1.29 0.00 0.00 177.43 175.65 1x02 n LEU 112 N -5.47 0.18 0.00 1.61 4.77 0.00 -4.77 117.00 113.32 1x02 n LEU 112 Ca 0.08 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.43 1x02 n LEU 112 Cb 0.37 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1x02 n LEU 112 CO 0.00 -1.49 0.00 0.61 -1.33 0.00 0.00 177.39 175.19 1x02 n GLY 113 N -1.27 4.01 3.78 -0.72 0.00 0.41 -5.13 105.19 106.27 1x02 n GLY 113 Ca 0.28 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 3.29 -0.46 1.61 0.41 -1.26 -5.01 118.70 117.28 1x02 s GLU 114 Ca 0.00 1.50 -0.13 0.00 -0.41 0.00 0.00 54.97 55.93 1x02 s GLU 114 Cb 0.00 -2.01 0.09 0.00 -1.78 0.00 0.00 34.13 30.43 1x02 s GLU 114 CO 0.00 -0.88 0.36 0.15 -0.49 0.00 0.00 175.26 174.40 1x02 s LYS 115 N -3.51 2.81 0.35 1.61 1.02 -1.26 -4.22 119.74 116.54 1x02 s LYS 115 Ca 0.70 -1.48 0.07 0.00 0.02 0.00 0.00 55.97 55.28 1x02 s LYS 115 Cb -0.22 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.06 1x02 s LYS 115 CO 0.30 -1.07 0.39 -0.51 -0.92 0.00 0.00 175.35 173.55 1x02 s LEU 116 N 1.54 3.70 0.19 3.17 1.43 -1.26 -5.11 118.68 122.34 1x02 s LEU 116 Ca 0.04 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1x02 s LEU 116 Cb -0.25 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1x02 s LEU 116 CO 0.04 -0.46 -0.03 0.42 0.23 0.00 0.00 176.35 176.54 1x02 s THR 117 N -2.29 1.01 0.30 5.49 -4.23 -1.26 -4.98 115.64 109.68 1x02 s THR 117 Ca 0.45 -2.03 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1x02 s THR 117 Cb -0.07 -2.14 0.32 0.00 1.34 0.00 0.00 72.50 71.95 1x02 s THR 117 CO 0.29 -0.49 1.35 0.47 -0.54 0.00 0.00 174.62 175.70 1x02 n ASP 118 N -0.32 0.14 0.07 3.99 8.00 -1.26 0.11 116.55 127.29 1x02 n ASP 118 Ca -0.07 1.44 -0.13 0.00 0.71 0.00 0.00 54.79 56.74 1x02 n ASP 118 Cb 0.63 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1x02 h GLU 119 N 0.00 -0.13 -0.26 -1.24 4.39 -1.99 0.53 114.58 115.89 1x02 h GLU 119 Ca 0.65 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.42 1x02 h GLU 119 Cb 1.59 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 30.20 1x02 h GLU 119 CO -0.72 0.03 -0.19 0.93 -1.16 0.00 0.00 179.01 177.91 1x02 h GLU 120 N -0.26 -0.17 -0.59 2.33 4.39 0.35 -1.93 114.58 118.69 1x02 h GLU 120 Ca -0.01 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1x02 h GLU 120 Cb 0.22 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1x02 h GLU 120 CO 0.02 -0.11 0.27 0.28 -1.16 0.00 0.00 179.01 178.31 1x02 h VAL 121 N -0.17 1.22 -0.82 3.13 2.07 -1.26 -2.91 116.25 117.50 1x02 h VAL 121 Ca 0.14 -0.64 0.19 0.00 0.82 0.00 0.00 66.70 67.21 1x02 h VAL 121 Cb 0.39 0.54 -0.15 0.00 -1.52 0.00 0.00 31.29 30.55 1x02 h VAL 121 CO -0.36 0.26 -0.02 0.44 0.02 0.00 0.00 177.57 177.91 1x02 h ASP 122 N 0.81 -0.43 -0.13 0.57 3.32 -0.10 1.07 116.42 121.53 1x02 h ASP 122 Ca 0.20 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.49 1x02 h ASP 122 Cb 0.15 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1x02 h ASP 122 CO -0.02 -0.23 0.09 -0.33 -1.72 0.00 0.00 179.24 177.03 1x02 h GLU 123 N 0.07 0.09 0.02 3.56 5.08 -1.27 -1.91 114.58 120.22 1x02 h GLU 123 Ca 0.45 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.74 1x02 h GLU 123 Cb 0.82 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1x02 h GLU 123 CO -0.75 0.06 -0.27 1.98 -1.00 0.00 0.00 179.01 179.03 1x02 h MET 124 N 0.09 0.14 -0.51 2.33 4.05 0.10 -3.28 114.93 117.86 1x02 h MET 124 Ca 0.05 -0.18 0.12 0.00 -0.28 0.00 0.00 59.70 59.41 1x02 h MET 124 Cb 0.10 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1x02 h MET 124 CO -0.01 0.99 0.35 0.82 0.23 0.00 0.00 176.91 179.30 1x02 h ILE 125 N -0.63 0.82 -0.00 1.77 1.08 -0.45 0.25 117.51 120.35 1x02 h ILE 125 Ca -0.04 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1x02 h ILE 125 Cb 1.11 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1x02 h ILE 125 CO 0.05 0.03 0.00 -2.11 -0.69 0.00 0.00 178.15 175.43 1x02 n ARG 126 N -4.44 1.01 -0.02 2.37 1.85 -0.75 -0.99 116.66 115.70 1x02 n ARG 126 Ca 0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 57.85 56.89 1x02 n ARG 126 Cb 0.46 -1.30 -0.02 0.00 -1.05 0.00 0.00 32.46 30.56 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 -0.19 0.09 -0.10 2.89 2.13 0.86 -4.82 120.64 121.50 1x02 n GLU 127 Ca 0.00 0.03 -0.13 0.00 0.66 0.00 0.00 57.16 57.72 1x02 n GLU 127 Cb 0.15 -0.95 -0.14 0.00 0.27 0.00 0.00 31.44 30.77 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 -2.77 1.46 -1.54 4.31 0.00 -1.17 -4.88 120.51 115.92 1x02 n ALA 128 Ca -0.07 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.79 1x02 n ALA 128 Cb 0.57 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.97 2.05 -0.06 0.00 2.03 -0.16 -4.80 116.55 112.64 1x02 n ASP 129 Ca -0.36 -0.29 -0.02 0.00 0.52 0.00 0.00 54.79 54.63 1x02 n ASP 129 Cb 1.09 -1.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.02 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 7.68 0.01 -0.89 5.18 2.04 -1.86 -3.37 117.51 126.29 1x02 h ILE 130 Ca -0.22 -1.00 0.22 0.00 1.00 0.00 0.00 64.86 64.85 1x02 h ILE 130 Cb 1.28 0.01 -0.13 0.00 -0.74 0.00 0.00 36.82 37.24 1x02 h ILE 130 CO 1.17 0.00 0.36 0.44 0.00 0.00 0.00 178.15 180.12 1x02 h ASP 131 N -1.00 0.26 -0.68 1.72 3.32 -1.91 -3.46 116.42 114.67 1x02 h ASP 131 Ca -0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1x02 h ASP 131 Cb 0.27 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1x02 h ASP 131 CO -0.00 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 1x02 n GLY 132 N -1.34 0.63 0.08 2.75 0.00 -1.26 -5.01 105.19 101.04 1x02 n GLY 132 Ca 0.22 -0.22 0.04 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 -0.10 1.75 -1.33 1.61 5.68 -1.26 -4.98 116.55 117.92 1x02 n ASP 133 Ca 0.00 -2.37 -0.12 0.00 -0.50 0.00 0.00 54.79 51.80 1x02 n ASP 133 Cb 0.20 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 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 -0.80 -0.09 3.16 6.12 0.00 -1.26 -5.02 105.19 107.30 1x02 n GLY 134 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.56 0.80 -0.23 1.61 -0.21 -1.26 -3.50 119.66 112.31 1x02 s GLN 135 Ca 0.00 -1.32 -0.04 0.00 0.02 0.00 0.00 55.36 54.02 1x02 s GLN 135 Cb 0.00 -0.12 0.08 0.00 1.00 0.00 0.00 33.01 33.98 1x02 s GLN 135 CO 0.00 -0.04 0.13 0.08 -2.12 0.00 0.00 175.29 173.34 1x02 s VAL 136 N -3.69 -0.12 0.43 1.09 1.01 -0.28 -4.51 120.40 114.33 1x02 s VAL 136 Ca 0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1x02 s VAL 136 Cb 0.06 -0.77 0.09 0.00 0.00 0.00 0.00 36.38 35.76 1x02 s VAL 136 CO -0.06 -0.47 0.59 -0.46 0.00 0.00 0.00 175.10 174.70 1x02 n ASN 137 N 5.27 0.39 0.08 3.32 0.23 -1.26 0.80 115.26 124.08 1x02 n ASN 137 Ca -0.06 -1.42 -0.16 0.00 -0.53 0.00 0.00 54.58 52.41 1x02 n ASN 137 Cb 0.46 -0.42 -0.10 0.00 -2.08 0.00 0.00 39.78 37.65 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 -0.92 -1.52 -0.23 -2.53 3.20 -1.93 0.57 116.97 113.60 1x02 h TYR 138 Ca -0.19 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.78 1x02 h TYR 138 Cb 0.61 0.66 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 1x02 h TYR 138 CO 0.00 -0.58 -0.29 1.49 -1.64 0.00 0.00 178.16 177.14 1x02 h GLU 139 N -0.69 -0.30 -0.93 1.82 4.22 -1.94 0.28 114.58 117.04 1x02 h GLU 139 Ca 0.01 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.64 1x02 h GLU 139 Cb 0.73 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1x02 h GLU 139 CO -0.33 -0.20 0.52 0.93 -2.18 0.00 0.00 179.01 177.74 1x02 h GLU 140 N -0.31 0.66 -0.16 1.92 5.08 -1.78 -1.17 114.58 118.82 1x02 h GLU 140 Ca 0.13 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1x02 h GLU 140 Cb 0.51 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1x02 h GLU 140 CO -0.41 0.44 -0.12 0.35 -1.00 0.00 0.00 179.01 178.27 1x02 h PHE 141 N 0.68 0.42 -0.34 4.33 3.57 0.66 -3.10 116.94 123.16 1x02 h PHE 141 Ca 0.52 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.98 1x02 h PHE 141 Cb 0.78 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 1x02 h PHE 141 CO -0.05 0.71 -0.16 0.28 -2.23 0.00 0.00 178.31 176.86 1x02 h VAL 142 N 0.00 0.51 -0.32 1.41 2.07 0.62 -1.98 116.25 118.55 1x02 h VAL 142 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1x02 h VAL 142 Cb 0.62 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1x02 h VAL 142 CO 0.03 0.00 -0.19 1.56 0.02 0.00 0.00 177.57 178.99 1x02 h GLN 143 N -0.10 -0.14 -0.40 1.57 1.08 -1.32 -1.43 115.11 114.37 1x02 h GLN 143 Ca 0.17 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.47 1x02 h GLN 143 Cb 0.37 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 1x02 h GLN 143 CO -0.41 -0.09 -0.18 1.98 -0.95 0.00 0.00 178.83 179.18 1x02 h MET 144 N -0.15 -0.10 -0.79 1.46 4.05 -1.30 0.61 114.93 118.72 1x02 h MET 144 Ca 0.17 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.69 1x02 h MET 144 Cb 0.40 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 1x02 h MET 144 CO -0.42 -0.06 0.44 0.52 0.23 0.00 0.00 176.91 177.62 1x02 h MET 145 N -0.10 0.71 -1.00 0.39 2.86 -0.72 -1.58 114.93 115.49 1x02 h MET 145 Ca 0.20 -0.04 -0.67 0.00 -2.06 0.00 0.00 59.70 57.12 1x02 h MET 145 Cb 0.40 -0.16 -0.30 0.00 0.06 0.00 0.00 31.60 31.60 1x02 h MET 145 CO -0.46 0.47 0.74 0.25 1.06 0.00 0.00 176.91 178.97 1x02 n THR 146 N -4.78 3.55 -3.64 2.22 -2.24 -0.29 -4.91 114.28 104.18 1x02 n THR 146 Ca 0.13 -3.07 -0.12 0.00 -2.27 0.00 0.00 64.05 58.72 1x02 n THR 146 Cb 0.28 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 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 -1.71 0.00 6.98 0.00 0.05 -4.93 121.76 118.34 1x02 s ALA 147 Ca 0.64 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.61 1x02 s ALA 147 Cb 0.50 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1x02 s ALA 147 CO -0.01 -0.33 0.48 1.63 0.00 0.00 0.00 175.76 177.53