#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s36 s LYS 8 N 0.00 4.21 -0.01 1.45 2.20 -1.26 -4.87 119.74 121.45 1s36 s LYS 8 Ca 0.00 2.35 0.12 0.00 -0.36 0.00 0.00 55.97 58.07 1s36 s LYS 8 Cb 0.00 -3.39 -0.17 0.00 -1.51 0.00 0.00 37.83 32.76 1s36 s LYS 8 CO 0.00 -0.68 0.29 1.28 -0.36 0.00 0.00 175.35 175.89 1s36 n LEU 9 N 4.84 0.09 -4.74 5.43 4.77 -1.26 -4.78 117.00 121.34 1s36 n LEU 9 Ca 0.15 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.63 1s36 n LEU 9 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1s36 n LEU 9 CO 0.62 0.02 1.03 -0.75 -1.33 0.00 0.00 177.39 176.98 1s36 s LYS 10 N -2.68 4.34 0.54 3.23 2.47 -1.26 -4.99 119.74 121.38 1s36 s LYS 10 Ca -0.03 2.16 -0.06 0.00 -1.56 0.00 0.00 55.97 56.48 1s36 s LYS 10 Cb 0.08 -3.15 -0.02 0.00 -1.46 0.00 0.00 37.83 33.28 1s36 s LYS 10 CO 0.48 -0.30 0.85 0.95 0.16 0.00 0.00 175.35 177.49 1s36 s THR 11 N -0.09 4.34 -0.33 3.43 -4.23 -1.26 -4.72 115.64 112.79 1s36 s THR 11 Ca 0.57 0.16 0.17 0.00 -1.18 0.00 0.00 61.69 61.41 1s36 s THR 11 Cb -0.39 -3.68 0.45 0.00 1.34 0.00 0.00 72.50 70.22 1s36 s THR 11 CO 0.42 -0.70 1.06 -0.67 -0.54 0.00 0.00 174.62 174.19 1s36 n ASP 12 N -2.44 0.81 0.28 3.99 -0.08 -1.26 -4.97 116.55 112.88 1s36 n ASP 12 Ca 0.03 -2.56 0.17 0.00 -1.51 0.00 0.00 54.79 50.92 1s36 n ASP 12 Cb 0.56 -0.23 0.70 0.00 2.34 0.00 0.00 41.12 44.50 1s36 n ASP 12 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1s36 h PHE 13 N 2.71 0.00 -0.01 -0.67 0.05 -1.96 -1.23 116.94 115.83 1s36 h PHE 13 Ca -0.15 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.64 1s36 h PHE 13 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.17 1s36 h PHE 13 CO 0.42 0.01 -0.13 -0.25 -0.18 0.00 0.00 178.31 178.17 1s36 n ASP 14 N -3.10 0.90 -4.69 2.17 10.43 -1.26 -4.73 116.55 116.26 1s36 n ASP 14 Ca 0.00 -0.95 -0.42 0.00 2.57 0.00 0.00 54.79 56.00 1s36 n ASP 14 Cb 0.30 0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.26 1s36 n ASP 14 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1s36 s ASN 15 N -2.34 6.75 0.43 -2.24 3.84 -0.47 -4.91 114.94 116.01 1s36 s ASN 15 Ca 0.31 2.29 0.09 0.00 0.21 0.00 0.00 52.86 55.76 1s36 s ASN 15 Cb 0.20 -2.57 0.95 0.00 -0.55 0.00 0.00 41.25 39.28 1s36 s ASN 15 CO 0.45 -0.77 2.07 1.55 -2.79 0.00 0.00 177.10 177.61 1s36 h PRO 16 N 7.82 0.39 -0.13 0.43 0.13 -1.91 -0.87 132.00 137.86 1s36 h PRO 16 Ca -0.40 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1s36 h PRO 16 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1s36 h PRO 16 CO 0.91 0.28 -0.45 -0.09 -0.23 0.00 0.00 178.00 178.41 1s36 h ARG 17 N 0.40 0.32 -0.22 0.86 2.43 -1.95 0.78 114.38 117.00 1s36 h ARG 17 Ca 0.11 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 1s36 h ARG 17 Cb -0.01 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1s36 h ARG 17 CO -0.02 0.71 -0.34 2.35 -1.51 0.00 0.00 179.97 181.16 1s36 h TRP 18 N 0.26 0.76 -0.60 2.20 7.01 -1.60 -1.80 115.95 122.17 1s36 h TRP 18 Ca 0.02 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.76 1s36 h TRP 18 Cb 0.90 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.78 1s36 h TRP 18 CO 0.02 1.00 0.38 0.82 -2.79 0.00 0.00 178.44 177.87 1s36 h ILE 19 N 0.30 1.17 -0.71 2.65 2.04 -1.09 -2.59 117.51 119.28 1s36 h ILE 19 Ca 0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1s36 h ILE 19 Cb 0.93 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1s36 h ILE 19 CO 0.08 0.17 0.37 0.50 0.00 0.00 0.00 178.15 179.27 1s36 h LYS 20 N 0.82 0.99 -0.48 2.37 3.64 -0.78 0.23 116.57 123.36 1s36 h LYS 20 Ca 0.22 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1s36 h LYS 20 Cb -0.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1s36 h LYS 20 CO -0.04 0.74 0.18 -0.09 -2.27 0.00 0.00 179.45 177.96 1s36 h ARG 21 N 1.00 0.73 -0.04 1.90 2.43 -1.05 -1.03 114.38 118.32 1s36 h ARG 21 Ca 0.25 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1s36 h ARG 21 Cb 0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1s36 h ARG 21 CO -0.04 0.67 -0.69 0.45 -1.51 0.00 0.00 179.97 178.86 1s36 h HIS 22 N 0.64 0.26 -0.49 2.20 3.86 -1.03 -2.51 115.15 118.08 1s36 h HIS 22 Ca 0.16 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1s36 h HIS 22 Cb 0.23 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1s36 h HIS 22 CO 0.01 0.82 -0.01 -0.22 0.86 0.00 0.00 177.93 179.39 1s36 h LYS 23 N 0.13 0.82 0.03 2.45 1.63 -0.79 0.28 116.57 121.13 1s36 h LYS 23 Ca -0.02 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1s36 h LYS 23 Cb 1.23 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1s36 h LYS 23 CO 0.10 0.83 -0.07 1.25 -3.45 0.00 0.00 179.45 178.11 1s36 h HIS 24 N 0.77 -0.19 -0.66 1.91 2.76 -1.04 0.18 115.15 118.89 1s36 h HIS 24 Ca 0.15 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1s36 h HIS 24 Cb 0.47 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 1s36 h HIS 24 CO 0.03 -0.11 0.20 0.52 -1.30 0.00 0.00 177.93 177.26 1s36 h MET 25 N -0.14 1.00 -0.29 5.26 2.86 -1.08 -1.50 114.93 121.03 1s36 h MET 25 Ca 0.02 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1s36 h MET 25 Cb 0.16 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1s36 h MET 25 CO -0.05 0.86 0.01 0.35 1.06 0.00 0.00 176.91 179.14 1s36 h PHE 26 N 0.97 0.55 -0.48 -0.22 3.57 -0.27 -1.82 116.94 119.24 1s36 h PHE 26 Ca 0.21 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1s36 h PHE 26 Cb 0.28 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1s36 h PHE 26 CO 0.02 0.64 0.20 -0.44 -2.23 0.00 0.00 178.31 176.50 1s36 h ASP 27 N 0.31 0.61 -0.79 0.41 3.32 -0.83 -0.15 116.42 119.31 1s36 h ASP 27 Ca 0.09 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1s36 h ASP 27 Cb 0.41 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1s36 h ASP 27 CO 0.01 0.54 0.30 0.15 -1.72 0.00 0.00 179.24 178.53 1s36 h PHE 28 N 0.67 1.21 0.00 4.55 3.57 -0.96 -2.70 116.94 123.28 1s36 h PHE 28 Ca 0.17 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1s36 h PHE 28 Cb 0.12 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1s36 h PHE 28 CO 0.01 0.92 -0.24 1.28 -2.23 0.00 0.00 178.31 178.05 1s36 n LEU 29 N -4.28 0.77 -4.58 0.59 4.77 -0.71 -4.43 117.00 109.14 1s36 n LEU 29 Ca 0.07 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 1s36 n LEU 29 Cb 0.19 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1s36 n LEU 29 CO 0.41 -0.13 1.90 -0.62 -1.33 0.00 0.00 177.39 177.62 1s36 s ASP 30 N -4.41 6.69 0.17 -1.43 2.15 -0.11 -4.83 116.67 114.90 1s36 s ASP 30 Ca 0.09 -2.29 -0.14 0.00 0.43 0.00 0.00 52.55 50.64 1s36 s ASP 30 Cb 0.13 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 40.27 1s36 s ASP 30 CO 0.64 -1.32 1.78 0.40 -0.17 0.00 0.00 175.17 176.50 1s36 h ILE 31 N 5.74 0.96 -0.16 4.11 1.08 -1.80 -2.70 117.51 124.74 1s36 h ILE 31 Ca 0.41 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 1s36 h ILE 31 Cb 0.89 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1s36 h ILE 31 CO 1.44 0.08 0.00 -0.46 -0.69 0.00 0.00 178.15 178.52 1s36 n ASN 32 N -4.91 2.40 -1.81 1.72 0.23 -1.26 -4.95 115.26 106.68 1s36 n ASN 32 Ca 0.03 -1.80 -0.15 0.00 -0.53 0.00 0.00 54.58 52.13 1s36 n ASN 32 Cb 0.12 -0.09 -0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1s36 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s36 n GLY 33 N 1.29 -0.23 0.88 4.83 0.00 -1.02 -4.91 105.19 106.03 1s36 n GLY 33 Ca 0.17 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1s36 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s36 n ASN 34 N -0.95 2.66 0.00 1.61 6.94 -1.26 -4.95 115.26 119.31 1s36 n ASN 34 Ca -0.16 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1s36 n ASN 34 Cb 0.63 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1s36 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s36 n GLY 35 N 1.34 0.54 3.14 4.83 0.00 -1.26 -5.04 105.19 108.73 1s36 n GLY 35 Ca 0.18 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1s36 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s36 s LYS 36 N -0.64 0.73 0.21 1.61 1.02 -1.26 -4.08 119.74 117.33 1s36 s LYS 36 Ca 0.00 -0.93 0.08 0.00 0.02 0.00 0.00 55.97 55.14 1s36 s LYS 36 Cb 0.00 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.65 1s36 s LYS 36 CO 0.00 0.12 -0.15 0.96 -0.92 0.00 0.00 175.35 175.36 1s36 s ILE 37 N -1.52 1.79 0.02 2.17 -4.36 -0.36 -4.60 121.20 114.34 1s36 s ILE 37 Ca -0.03 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.17 1s36 s ILE 37 Cb -0.09 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1s36 s ILE 37 CO 0.01 -0.57 -0.07 0.42 0.24 0.00 0.00 174.94 174.97 1s36 s THR 38 N -2.91 0.54 0.45 8.37 -4.23 -1.26 -0.99 115.64 115.61 1s36 s THR 38 Ca 0.23 -0.67 0.16 0.00 -1.18 0.00 0.00 61.69 60.23 1s36 s THR 38 Cb -0.01 -0.53 0.34 0.00 1.34 0.00 0.00 72.50 73.64 1s36 s THR 38 CO 0.07 -0.11 1.98 0.25 -0.54 0.00 0.00 174.62 176.27 1s36 h LEU 39 N 5.25 0.29 -0.08 4.79 5.85 -1.76 -2.47 115.31 127.19 1s36 h LEU 39 Ca -0.32 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1s36 h LEU 39 Cb 1.19 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1s36 h LEU 39 CO 0.45 0.17 0.04 0.44 -0.34 0.00 0.00 178.44 179.21 1s36 h ASP 40 N 0.32 0.09 -0.37 1.25 5.19 -1.91 -0.87 116.42 120.12 1s36 h ASP 40 Ca 0.28 -0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.47 1s36 h ASP 40 Cb 0.65 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1s36 h ASP 40 CO -0.07 0.13 -0.36 -0.33 -3.12 0.00 0.00 179.24 175.49 1s36 h GLU 41 N 0.05 0.89 0.18 3.56 5.08 -1.92 -2.31 114.58 120.11 1s36 h GLU 41 Ca 0.03 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1s36 h GLU 41 Cb 0.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s36 h GLU 41 CO -0.00 1.12 -0.09 0.82 -1.00 0.00 0.00 179.01 179.85 1s36 h ILE 42 N 0.70 0.84 -0.45 3.13 2.04 -1.29 -0.87 117.51 121.60 1s36 h ILE 42 Ca 0.06 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 1s36 h ILE 42 Cb 0.95 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1s36 h ILE 42 CO 0.09 0.01 -0.15 0.58 0.00 0.00 0.00 178.15 178.68 1s36 h VAL 43 N -0.27 1.27 -0.38 1.67 2.07 -1.23 -0.13 116.25 119.25 1s36 h VAL 43 Ca -0.02 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.27 1s36 h VAL 43 Cb 0.21 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1s36 h VAL 43 CO 0.04 0.43 0.14 -1.28 0.02 0.00 0.00 177.57 176.92 1s36 h SER 44 N 0.76 0.16 -0.60 0.57 0.87 -1.34 0.02 113.55 113.99 1s36 h SER 44 Ca 0.12 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1s36 h SER 44 Cb 0.67 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 1s36 h SER 44 CO 0.05 0.13 0.26 0.50 -0.53 0.00 0.00 176.83 177.23 1s36 h LYS 45 N 0.30 0.45 -0.51 2.24 3.64 -0.68 0.28 116.57 122.30 1s36 h LYS 45 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1s36 h LYS 45 Cb 0.14 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1s36 h LYS 45 CO -0.17 0.30 0.32 0.00 -2.27 0.00 0.00 179.45 177.63 1s36 h ALA 46 N 1.38 0.65 0.00 5.00 0.00 -0.48 -1.28 119.26 124.53 1s36 h ALA 46 Ca 0.29 -0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.74 1s36 h ALA 46 Cb 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1s36 h ALA 46 CO -0.26 0.13 -2.49 0.43 0.00 0.00 0.00 179.25 177.06 1s36 n SER 47 N -4.70 1.98 0.05 0.00 7.64 -0.06 -1.74 113.62 116.80 1s36 n SER 47 Ca 0.02 -0.08 0.12 0.00 1.01 0.00 0.00 58.87 59.95 1s36 n SER 47 Cb 0.05 -0.46 0.19 0.00 -1.01 0.00 0.00 64.21 62.97 1s36 n SER 47 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1s36 n ASP 48 N -3.38 0.65 0.00 6.43 10.43 0.96 -3.31 116.55 128.34 1s36 n ASP 48 Ca -0.47 0.07 0.00 0.00 2.57 0.00 0.00 54.79 56.96 1s36 n ASP 48 Cb 0.98 0.17 0.00 0.00 1.84 0.00 0.00 41.12 44.11 1s36 n ASP 48 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1s36 n ASP 49 N -2.00 0.00 0.08 -2.24 4.64 -1.21 -4.52 116.55 111.29 1s36 n ASP 49 Ca 0.04 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.33 1s36 n ASP 49 Cb 0.42 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.45 1s36 n ASP 49 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1s36 h ILE 50 N 0.00 0.57 -0.07 5.18 2.04 -1.28 -1.41 117.51 122.54 1s36 h ILE 50 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1s36 h ILE 50 Cb 0.00 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1s36 h ILE 50 CO 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.59 1s36 h ALA 52 N 1.26 0.04 0.00 0.00 0.00 -1.51 -1.26 119.26 117.78 1s36 h ALA 52 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1s36 h ALA 52 Cb 1.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1s36 h ALA 52 CO 0.08 -0.49 -0.65 0.87 0.00 0.00 0.00 179.25 179.06 1s36 h LYS 53 N 0.00 0.00 0.00 0.00 1.57 -1.05 -2.50 116.57 114.59 1s36 h LYS 53 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s36 h LYS 53 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1s36 h LYS 53 CO -0.06 0.65 0.00 1.28 -0.57 0.00 0.00 179.45 180.75 1s36 n LEU 54 N -3.73 0.00 -3.70 2.94 4.77 -0.67 -4.92 117.00 111.69 1s36 n LEU 54 Ca -0.01 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 56.13 1s36 n LEU 54 Cb 0.65 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1s36 n LEU 54 CO 0.42 -0.07 0.10 -0.62 -1.33 0.00 0.00 177.39 175.90 1s36 n GLU 55 N -1.41 -6.21 -1.97 3.23 1.02 -0.92 -4.98 120.64 109.41 1s36 n GLU 55 Ca 0.09 0.71 -0.35 0.00 -0.02 0.00 0.00 57.16 57.58 1s36 n GLU 55 Cb 0.25 -5.58 0.03 0.00 -0.02 0.00 0.00 31.44 26.12 1s36 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s36 s ALA 56 N -3.41 2.52 0.87 0.62 0.00 -0.52 -5.02 121.76 116.82 1s36 s ALA 56 Ca 0.37 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1s36 s ALA 56 Cb -0.18 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1s36 s ALA 56 CO 0.78 -1.15 1.09 0.95 0.00 0.00 0.00 175.76 177.43 1s36 s THR 57 N -1.82 2.80 0.27 0.00 -4.23 -1.26 -4.76 115.64 106.64 1s36 s THR 57 Ca 0.74 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1s36 s THR 57 Cb -0.27 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.08 1s36 s THR 57 CO 0.34 -0.34 1.87 -0.65 -0.54 0.00 0.00 174.62 175.31 1s36 h PRO 58 N -1.45 1.11 -0.60 3.99 0.11 -1.99 0.32 132.00 133.49 1s36 h PRO 58 Ca -0.48 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.46 1s36 h PRO 58 Cb 1.27 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1s36 h PRO 58 CO 0.54 0.73 -0.01 0.93 -0.21 0.00 0.00 178.00 179.99 1s36 h GLU 59 N 1.14 1.06 -0.62 1.05 4.39 -1.99 -1.20 114.58 118.40 1s36 h GLU 59 Ca 0.45 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1s36 h GLU 59 Cb 0.23 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1s36 h GLU 59 CO -0.19 1.04 0.03 1.96 -1.16 0.00 0.00 179.01 180.68 1s36 h GLN 60 N 0.96 1.08 -0.00 2.33 4.20 -1.74 -1.11 115.11 120.83 1s36 h GLN 60 Ca 0.17 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1s36 h GLN 60 Cb 0.57 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1s36 h GLN 60 CO 0.03 1.03 0.00 1.15 -0.67 0.00 0.00 178.83 180.37 1s36 h THR 61 N 0.99 1.06 -0.37 -0.54 2.02 -0.78 -1.48 112.91 113.82 1s36 h THR 61 Ca 0.18 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1s36 h THR 61 Cb 0.53 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1s36 h THR 61 CO 0.03 0.05 0.19 0.50 0.37 0.00 0.00 175.52 176.66 1s36 h LYS 62 N -0.08 0.38 -0.13 6.66 1.63 -1.13 0.22 116.57 124.13 1s36 h LYS 62 Ca 0.00 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1s36 h LYS 62 Cb 0.08 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1s36 h LYS 62 CO -0.00 0.25 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.14 1s36 h ARG 63 N 0.39 0.02 -0.94 1.90 2.43 -1.14 0.62 114.38 117.66 1s36 h ARG 63 Ca 0.15 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1s36 h ARG 63 Cb 0.05 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1s36 h ARG 63 CO -0.10 0.01 0.60 1.25 -1.51 0.00 0.00 179.97 180.23 1s36 h HIS 64 N 0.02 1.11 -0.39 2.20 2.76 -1.09 -2.33 115.15 117.43 1s36 h HIS 64 Ca 0.06 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 1s36 h HIS 64 Cb 0.09 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 1s36 h HIS 64 CO -0.16 0.58 0.13 0.37 -1.30 0.00 0.00 177.93 177.56 1s36 h GLN 65 N 1.10 0.61 -0.01 5.26 4.15 0.24 -1.74 115.11 124.72 1s36 h GLN 65 Ca 0.40 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.62 1s36 h GLN 65 Cb 0.14 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1s36 h GLN 65 CO -0.17 0.60 -0.38 -0.39 -1.93 0.00 0.00 178.83 176.56 1s36 h VAL 66 N 0.49 1.28 -0.09 2.39 -1.51 -0.73 -0.65 116.25 117.43 1s36 h VAL 66 Ca 0.13 -1.32 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1s36 h VAL 66 Cb 0.24 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1s36 h VAL 66 CO -0.01 0.38 -0.00 0.00 -1.23 0.00 0.00 177.57 176.71 1s36 h VAL 68 N -0.14 0.86 -0.38 0.00 2.07 -1.09 -1.19 116.25 116.38 1s36 h VAL 68 Ca 0.02 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1s36 h VAL 68 Cb 0.36 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1s36 h VAL 68 CO 0.01 0.02 0.07 -0.33 0.02 0.00 0.00 177.57 177.35 1s36 h GLU 69 N 0.12 0.18 -0.78 1.57 5.08 -1.11 -1.62 114.58 118.03 1s36 h GLU 69 Ca 0.12 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1s36 h GLU 69 Cb 0.13 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1s36 h GLU 69 CO -0.17 0.12 0.36 0.00 -1.00 0.00 0.00 179.01 178.32 1s36 h ALA 70 N 1.29 1.17 0.12 3.43 0.00 -0.89 0.78 119.26 125.16 1s36 h ALA 70 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s36 h ALA 70 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s36 h ALA 70 CO -0.25 0.63 -0.06 0.35 0.00 0.00 0.00 179.25 179.92 1s36 h PHE 71 N 1.11 -0.15 -0.00 0.00 3.57 -0.87 -1.00 116.94 119.60 1s36 h PHE 71 Ca 0.27 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.60 1s36 h PHE 71 Cb 0.13 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1s36 h PHE 71 CO 0.01 0.20 -0.79 0.74 -2.23 0.00 0.00 178.31 176.24 1s36 h PHE 72 N -0.52 0.01 0.00 0.41 -1.00 -1.21 -1.73 116.94 112.89 1s36 h PHE 72 Ca -0.02 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1s36 h PHE 72 Cb 0.42 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 1s36 h PHE 72 CO 0.04 0.80 -0.12 0.00 -1.61 0.00 0.00 178.31 177.42 1s36 h ARG 73 N 0.00 0.00 0.00 1.51 3.08 -0.89 -1.29 114.38 116.79 1s36 h ARG 73 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1s36 h ARG 73 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 1s36 h ARG 73 CO 0.10 0.12 -0.04 0.78 -1.07 0.00 0.00 179.97 179.86 1s36 h GLY 74 N 0.43 0.00 -2.27 0.04 0.00 -0.23 -2.09 103.07 98.95 1s36 h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s36 h GLY 74 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1s36 n GLY 76 N 1.19 0.52 3.85 0.00 0.00 -0.78 -4.21 105.19 105.75 1s36 n GLY 76 Ca 0.19 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1s36 n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s36 s MET 77 N -0.44 4.02 0.06 1.61 -1.94 -0.77 -4.99 119.30 116.84 1s36 s MET 77 Ca 0.00 0.62 -0.03 0.00 -1.71 0.00 0.00 55.69 54.57 1s36 s MET 77 Cb 0.00 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1s36 s MET 77 CO 0.00 0.28 0.03 -1.21 -0.01 0.00 0.00 175.02 174.10 1s36 s GLU 78 N -2.61 0.66 0.36 2.03 0.41 -1.26 -4.05 118.70 114.24 1s36 s GLU 78 Ca 0.48 -1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 53.64 1s36 s GLU 78 Cb -0.12 0.24 -0.11 0.00 -1.78 0.00 0.00 34.13 32.35 1s36 s GLU 78 CO 0.19 -0.15 1.51 0.66 -0.49 0.00 0.00 175.26 176.98 1s36 n TYR 79 N 0.14 2.95 -0.80 1.61 0.53 -1.26 -2.60 117.16 117.73 1s36 n TYR 79 Ca -0.15 0.41 0.00 0.00 -1.02 0.00 0.00 57.90 57.14 1s36 n TYR 79 Cb 0.61 -2.54 0.00 0.00 -1.03 0.00 0.00 39.34 36.38 1s36 n TYR 79 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1s36 n GLY 80 N 0.81 0.69 3.04 2.72 0.00 -1.26 -5.02 105.19 106.17 1s36 n GLY 80 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1s36 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s36 s LYS 81 N -0.20 1.74 0.22 1.61 1.02 -1.07 -5.13 119.74 117.93 1s36 s LYS 81 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.37 1s36 s LYS 81 Cb 0.00 -1.44 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 1s36 s LYS 81 CO 0.00 0.05 0.68 -1.21 -0.92 0.00 0.00 175.35 173.95 1s36 s GLU 82 N 0.59 4.15 -0.02 1.68 2.02 -1.26 -4.37 118.70 121.48 1s36 s GLU 82 Ca -0.14 0.75 0.04 0.00 0.02 0.00 0.00 54.97 55.64 1s36 s GLU 82 Cb -0.15 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1s36 s GLU 82 CO 0.04 0.39 -0.15 -1.50 0.02 0.00 0.00 175.26 174.05 1s36 s ILE 83 N -1.57 1.24 0.60 -1.63 2.07 -0.16 -4.94 121.20 116.81 1s36 s ILE 83 Ca 0.43 -0.64 -0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1s36 s ILE 83 Cb -0.15 -1.05 0.05 0.00 0.13 0.00 0.00 42.46 41.44 1s36 s ILE 83 CO 0.20 0.36 0.85 0.00 -1.91 0.00 0.00 174.94 174.44 1s36 s ALA 84 N -0.15 3.75 0.06 1.50 0.00 -1.26 -1.22 121.76 124.44 1s36 s ALA 84 Ca 0.01 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 1s36 s ALA 84 Cb -0.08 -2.15 -0.14 0.00 0.00 0.00 0.00 23.12 20.75 1s36 s ALA 84 CO 0.00 -0.96 1.58 0.35 0.00 0.00 0.00 175.76 176.73 1s36 h PHE 85 N -0.14 0.13 -0.90 0.00 3.57 -2.00 -1.77 116.94 115.83 1s36 h PHE 85 Ca -0.41 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1s36 h PHE 85 Cb 1.29 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1s36 h PHE 85 CO 0.27 0.27 0.58 -1.35 -2.23 0.00 0.00 178.31 175.84 1s36 h PRO 86 N -0.05 1.09 -0.35 6.41 0.11 -1.96 0.30 132.00 137.54 1s36 h PRO 86 Ca 0.03 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1s36 h PRO 86 Cb 0.20 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1s36 h PRO 86 CO -0.00 0.72 -0.10 0.37 -0.21 0.00 0.00 178.00 178.78 1s36 h GLN 87 N 1.12 0.69 -0.82 1.05 5.75 -1.95 -1.46 115.11 119.49 1s36 h GLN 87 Ca 0.36 -0.27 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 1s36 h GLN 87 Cb 0.02 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.47 1s36 h GLN 87 CO -0.12 0.86 0.49 0.35 -2.65 0.00 0.00 178.83 177.76 1s36 h PHE 88 N 0.48 0.90 -0.33 3.99 3.57 -0.84 -0.46 116.94 124.26 1s36 h PHE 88 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1s36 h PHE 88 Cb 0.61 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1s36 h PHE 88 CO 0.05 0.43 0.12 1.25 -2.23 0.00 0.00 178.31 177.93 1s36 h LEU 89 N 0.88 0.47 -0.89 0.59 5.85 -0.01 0.30 115.31 122.48 1s36 h LEU 89 Ca 0.37 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1s36 h LEU 89 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1s36 h LEU 89 CO -0.19 0.52 0.08 -0.78 -0.34 0.00 0.00 178.44 177.73 1s36 h ASP 90 N 0.38 0.85 -0.98 1.25 1.82 -1.04 -0.10 116.42 118.60 1s36 h ASP 90 Ca 0.11 -0.19 0.10 0.00 -0.39 0.00 0.00 57.03 56.67 1s36 h ASP 90 Cb 0.21 -0.22 -0.08 0.00 0.68 0.00 0.00 39.33 39.92 1s36 h ASP 90 CO -0.01 0.87 0.62 1.23 -1.61 0.00 0.00 179.24 180.34 1s36 h GLY 91 N 1.00 1.57 1.17 -0.78 0.00 -0.44 -2.10 103.07 103.49 1s36 h GLY 91 Ca 0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1s36 h GLY 91 CO 0.01 0.20 -0.44 -2.75 0.00 0.00 0.00 176.54 173.56 1s36 h PHE 92 N 1.02 1.09 -0.97 5.60 3.57 0.75 -0.23 116.94 127.77 1s36 h PHE 92 Ca 0.47 -0.35 0.14 0.00 3.53 0.00 0.00 57.97 61.76 1s36 h PHE 92 Cb 0.39 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 38.82 1s36 h PHE 92 CO -0.01 1.17 0.61 0.87 -2.23 0.00 0.00 178.31 178.73 1s36 h LYS 93 N 0.72 0.85 -0.25 1.11 1.57 -0.81 0.18 116.57 119.93 1s36 h LYS 93 Ca 0.05 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1s36 h LYS 93 Cb 1.04 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1s36 h LYS 93 CO 0.10 0.56 -0.38 1.96 -0.57 0.00 0.00 179.45 181.12 1s36 h GLN 94 N 0.87 0.70 -0.04 3.15 4.20 -0.67 -1.96 115.11 121.37 1s36 h GLN 94 Ca 0.50 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1s36 h GLN 94 Cb 0.62 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1s36 h GLN 94 CO -0.27 1.04 -0.06 1.25 -0.67 0.00 0.00 178.83 180.12 1s36 h LEU 95 N 0.42 -0.19 -0.49 1.46 5.85 -0.68 -1.86 115.31 119.81 1s36 h LEU 95 Ca 0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1s36 h LEU 95 Cb 0.97 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1s36 h LEU 95 CO 0.09 -0.09 0.06 0.00 -0.34 0.00 0.00 178.44 178.16 1s36 h ALA 96 N 0.93 0.52 -0.28 1.25 0.00 -0.60 1.00 119.26 122.08 1s36 h ALA 96 Ca 0.04 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1s36 h ALA 96 Cb 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s36 h ALA 96 CO -0.10 -0.34 -0.36 1.79 0.00 0.00 0.00 179.25 180.24 1s36 h THR 97 N 0.19 1.29 -0.62 0.00 1.35 -1.27 -0.48 112.91 113.37 1s36 h THR 97 Ca 0.25 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1s36 h THR 97 Cb 0.35 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1s36 h THR 97 CO -0.36 0.49 0.39 -1.28 -0.25 0.00 0.00 175.52 174.51 1s36 h SER 98 N 0.54 0.72 -0.47 5.36 0.87 -0.79 -0.70 113.55 119.07 1s36 h SER 98 Ca 0.05 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 1s36 h SER 98 Cb 0.88 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1s36 h SER 98 CO 0.08 0.54 0.08 -0.33 -0.53 0.00 0.00 176.83 176.67 1s36 h GLU 99 N 0.83 0.78 -0.04 2.24 4.39 -0.60 -1.59 114.58 120.59 1s36 h GLU 99 Ca 0.22 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1s36 h GLU 99 Cb -0.07 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1s36 h GLU 99 CO -0.05 0.79 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.10 1s36 h LEU 100 N 0.65 0.10 -0.26 1.33 3.38 -0.94 -0.12 115.31 119.45 1s36 h LEU 100 Ca 0.14 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1s36 h LEU 100 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1s36 h LEU 100 CO 0.01 0.52 -0.20 0.50 0.09 0.00 0.00 178.44 179.36 1s36 h LYS 101 N 0.08 0.60 -0.33 1.13 3.64 -0.95 -1.21 116.57 119.54 1s36 h LYS 101 Ca 0.00 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1s36 h LYS 101 Cb 0.79 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1s36 h LYS 101 CO 0.06 0.88 0.06 0.87 -2.27 0.00 0.00 179.45 179.05 1s36 h LYS 102 N 0.32 0.17 -0.36 1.90 1.57 -0.99 -1.74 116.57 117.44 1s36 h LYS 102 Ca 0.05 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1s36 h LYS 102 Cb 0.74 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1s36 h LYS 102 CO 0.05 0.11 -0.02 2.35 -0.57 0.00 0.00 179.45 181.37 1s36 h TRP 103 N 0.17 -0.07 0.00 -1.35 2.91 -0.93 0.39 115.95 117.07 1s36 h TRP 103 Ca 0.15 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 1s36 h TRP 103 Cb 0.17 0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1s36 h TRP 103 CO -0.18 -0.09 -0.00 0.00 -1.03 0.00 0.00 178.44 177.13 1s36 h ALA 104 N 1.33 1.07 -0.48 2.65 0.00 -0.84 -1.53 119.26 121.46 1s36 h ALA 104 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s36 h ALA 104 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s36 h ALA 104 CO -0.32 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1s36 n ARG 105 N -3.19 2.54 -3.44 0.00 1.74 -0.63 -4.97 116.66 108.71 1s36 n ARG 105 Ca -0.03 -2.35 -0.25 0.00 -0.77 0.00 0.00 57.85 54.45 1s36 n ARG 105 Cb 0.08 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 1s36 n ARG 105 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1s36 n ASN 106 N 1.42 -5.56 -4.76 0.55 5.15 -0.57 -5.01 115.26 106.48 1s36 n ASN 106 Ca 0.20 -0.49 -0.33 0.00 -0.60 0.00 0.00 54.58 53.36 1s36 n ASN 106 Cb 0.58 -4.45 -0.07 0.00 -0.53 0.00 0.00 39.78 35.30 1s36 n ASN 106 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1s36 s GLU 107 N -6.14 3.01 0.23 1.20 2.02 0.03 -5.03 118.70 114.03 1s36 s GLU 107 Ca 0.48 -0.50 -0.31 0.00 0.02 0.00 0.00 54.97 54.66 1s36 s GLU 107 Cb -0.23 -2.82 -0.11 0.00 0.10 0.00 0.00 34.13 31.07 1s36 s GLU 107 CO 0.60 0.65 1.55 -1.25 0.02 0.00 0.00 175.26 176.83 1s36 s PRO 108 N -1.64 4.19 0.68 0.39 0.04 -1.26 -4.05 135.00 133.34 1s36 s PRO 108 Ca 0.21 2.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.60 1s36 s PRO 108 Cb -0.12 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.36 1s36 s PRO 108 CO 0.12 -0.57 1.02 0.95 0.04 0.00 0.00 177.00 178.56 1s36 s THR 109 N 0.45 3.15 0.28 1.26 -4.23 -1.26 -4.93 115.64 110.36 1s36 s THR 109 Ca 0.65 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1s36 s THR 109 Cb -0.45 -3.32 0.12 0.00 1.34 0.00 0.00 72.50 70.18 1s36 s THR 109 CO 0.40 -0.38 1.78 -0.07 -0.54 0.00 0.00 174.62 175.81 1s36 h LEU 110 N -0.53 0.67 -0.73 4.79 3.38 -1.94 -1.00 115.31 119.96 1s36 h LEU 110 Ca -0.45 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 1s36 h LEU 110 Cb 1.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1s36 h LEU 110 CO 0.62 0.76 -0.34 -0.29 0.09 0.00 0.00 178.44 179.29 1s36 h ILE 111 N 0.65 1.29 -0.47 1.22 6.09 -1.97 -0.43 117.51 123.89 1s36 h ILE 111 Ca 0.13 -1.47 -0.01 0.00 -1.37 0.00 0.00 64.86 62.15 1s36 h ILE 111 Cb 0.45 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 1s36 h ILE 111 CO 0.02 0.47 0.27 -0.09 -3.07 0.00 0.00 178.15 175.75 1s36 h ARG 112 N 0.50 0.65 -0.56 2.19 9.65 -1.85 -1.56 114.38 123.39 1s36 h ARG 112 Ca 0.05 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1s36 h ARG 112 Cb 0.83 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1s36 h ARG 112 CO 0.07 0.49 0.13 0.93 2.80 0.00 0.00 179.97 184.38 1s36 h GLU 113 N 0.62 0.89 -0.34 0.20 5.08 -0.81 -0.26 114.58 119.96 1s36 h GLU 113 Ca 0.17 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1s36 h GLU 113 Cb 0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1s36 h GLU 113 CO -0.03 0.84 0.23 2.35 -1.00 0.00 0.00 179.01 181.40 1s36 h TRP 114 N 0.79 0.43 -0.78 4.33 2.91 -1.03 -0.98 115.95 121.62 1s36 h TRP 114 Ca 0.17 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.29 1s36 h TRP 114 Cb 0.36 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 28.79 1s36 h TRP 114 CO 0.02 0.27 0.44 0.78 -1.03 0.00 0.00 178.44 178.93 1s36 h GLY 115 N 0.46 1.20 0.73 2.65 0.00 -0.84 -0.39 103.07 106.88 1s36 h GLY 115 Ca 0.13 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1s36 h GLY 115 CO -0.03 0.14 0.52 -0.55 0.00 0.00 0.00 176.54 176.62 1s36 h ASP 116 N 0.77 0.81 -0.59 0.19 3.32 -0.45 0.12 116.42 120.58 1s36 h ASP 116 Ca 0.37 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 1s36 h ASP 116 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1s36 h ASP 116 CO -0.23 0.52 0.06 0.00 -1.72 0.00 0.00 179.24 177.87 1s36 h ALA 117 N 1.39 0.79 0.10 3.45 0.00 -0.23 0.10 119.26 124.85 1s36 h ALA 117 Ca 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1s36 h ALA 117 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s36 h ALA 117 CO -0.17 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 179.89 1s36 h VAL 118 N 0.90 1.02 -0.90 0.00 2.07 -0.66 -3.00 116.25 115.69 1s36 h VAL 118 Ca 0.17 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1s36 h VAL 118 Cb 0.48 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1s36 h VAL 118 CO 0.02 0.11 0.54 -0.26 0.02 0.00 0.00 177.57 178.00 1s36 h PHE 119 N -0.33 1.00 -0.88 1.57 -1.00 -0.66 -2.18 116.94 114.46 1s36 h PHE 119 Ca -0.01 0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1s36 h PHE 119 Cb 0.28 -0.31 -0.07 0.00 3.61 0.00 0.00 35.95 39.45 1s36 h PHE 119 CO -0.01 0.44 0.52 0.22 -1.61 0.00 0.00 178.31 177.88 1s36 h ASP 120 N 0.93 0.76 -0.88 2.17 3.58 -0.85 0.66 116.42 122.79 1s36 h ASP 120 Ca 0.42 0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.99 1s36 h ASP 120 Cb 0.32 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 1s36 h ASP 120 CO -0.22 0.44 0.57 0.40 -2.88 0.00 0.00 179.24 177.55 1s36 h ILE 121 N 0.87 1.01 0.01 2.25 2.04 -1.26 -3.25 117.51 119.18 1s36 h ILE 121 Ca 0.42 -0.32 -0.36 0.00 1.00 0.00 0.00 64.86 65.60 1s36 h ILE 121 Cb 0.36 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1s36 h ILE 121 CO -0.24 0.17 -2.28 0.49 0.00 0.00 0.00 178.15 176.29 1s36 n PHE 122 N -4.51 0.25 -1.67 1.37 3.01 -0.60 -4.96 117.46 110.34 1s36 n PHE 122 Ca 0.14 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1s36 n PHE 122 Cb 0.26 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 1s36 n PHE 122 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1s36 n ASP 123 N -2.97 0.21 -2.84 4.37 2.03 0.22 -5.07 116.55 112.50 1s36 n ASP 123 Ca -0.34 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.59 1s36 n ASP 123 Cb 1.09 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.53 1s36 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s36 n GLY 128 N 5.00 5.49 3.27 0.27 0.00 -1.26 -5.00 105.19 112.95 1s36 n GLY 128 Ca 0.00 -2.43 -0.10 0.00 0.00 0.00 0.00 46.02 43.49 1s36 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s36 s THR 129 N -4.91 0.06 0.15 2.61 -4.23 -1.26 -3.90 115.64 104.15 1s36 s THR 129 Ca 0.53 -1.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1s36 s THR 129 Cb 0.44 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1s36 s THR 129 CO -0.37 -0.26 -0.21 0.27 -0.54 0.00 0.00 174.62 173.51 1s36 s ILE 130 N -4.05 1.95 0.51 2.99 -4.36 0.42 -4.94 121.20 113.72 1s36 s ILE 130 Ca 0.25 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1s36 s ILE 130 Cb 0.05 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1s36 s ILE 130 CO 0.04 -0.14 0.75 0.42 0.24 0.00 0.00 174.94 176.25 1s36 s THR 131 N -1.56 3.67 0.19 8.37 -4.23 -1.26 -0.86 115.64 119.96 1s36 s THR 131 Ca 0.13 -0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.14 1s36 s THR 131 Cb -0.08 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.48 1s36 s THR 131 CO 0.06 -0.31 1.77 0.25 -0.54 0.00 0.00 174.62 175.86 1s36 h LEU 132 N 0.18 0.32 -1.09 4.79 5.85 -1.98 -0.67 115.31 122.70 1s36 h LEU 132 Ca -0.45 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1s36 h LEU 132 Cb 1.26 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1s36 h LEU 132 CO 0.57 0.21 0.50 0.44 -0.34 0.00 0.00 178.44 179.82 1s36 h ASP 133 N 0.47 0.99 -0.29 1.25 3.45 -1.98 0.52 116.42 120.82 1s36 h ASP 133 Ca 0.26 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.62 1s36 h ASP 133 Cb 0.24 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1s36 h ASP 133 CO -0.22 0.76 0.02 -0.33 -1.57 0.00 0.00 179.24 177.90 1s36 h GLU 134 N 1.14 0.51 -0.51 3.56 5.08 -1.79 -1.71 114.58 120.86 1s36 h GLU 134 Ca 0.30 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1s36 h GLU 134 Cb -0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1s36 h GLU 134 CO -0.06 0.64 0.32 2.35 -1.00 0.00 0.00 179.01 181.27 1s36 h TRP 135 N 0.31 0.61 -1.00 4.33 2.91 -0.95 -2.22 115.95 119.94 1s36 h TRP 135 Ca 0.09 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.21 1s36 h TRP 135 Cb 0.40 -0.20 -0.07 0.00 -0.51 0.00 0.00 29.16 28.77 1s36 h TRP 135 CO 0.03 0.37 0.64 0.87 -1.03 0.00 0.00 178.44 179.32 1s36 h LYS 136 N 0.65 1.07 0.29 2.65 1.57 -0.78 0.12 116.57 122.14 1s36 h LYS 136 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1s36 h LYS 136 Cb -0.03 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 1s36 h LYS 136 CO -0.06 0.71 -0.15 0.00 -0.57 0.00 0.00 179.45 179.37 1s36 h ALA 137 N 1.48 -0.40 -0.39 3.86 0.00 -0.96 -0.83 119.26 122.02 1s36 h ALA 137 Ca 0.45 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1s36 h ALA 137 Cb 0.29 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1s36 h ALA 137 CO -0.21 -0.73 0.25 -0.92 0.00 0.00 0.00 179.25 177.64 1s36 h TYR 138 N -0.41 0.48 -0.16 0.00 3.20 -0.80 0.50 116.97 119.78 1s36 h TYR 138 Ca -0.03 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1s36 h TYR 138 Cb 0.33 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1s36 h TYR 138 CO -0.07 0.30 -0.13 0.78 -1.64 0.00 0.00 178.16 177.40 1s36 h GLY 139 N 0.52 -0.01 0.88 1.82 0.00 -0.70 0.27 103.07 105.85 1s36 h GLY 139 Ca 0.14 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1s36 h GLY 139 CO -0.04 -0.14 -0.22 1.70 0.00 0.00 0.00 176.54 177.85 1s36 h LYS 140 N -0.14 0.56 -0.15 4.80 3.64 -1.08 -1.45 116.57 122.75 1s36 h LYS 140 Ca 0.10 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1s36 h LYS 140 Cb 0.29 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1s36 h LYS 140 CO -0.25 0.88 -0.07 0.82 -2.27 0.00 0.00 179.45 178.55 1s36 h ILE 141 N 0.26 1.31 0.00 2.00 2.04 -0.68 -2.84 117.51 119.61 1s36 h ILE 141 Ca 0.04 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1s36 h ILE 141 Cb 0.77 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1s36 h ILE 141 CO 0.05 0.33 0.00 0.77 0.00 0.00 0.00 178.15 179.30 1s36 h SER 142 N -0.01 0.00 0.00 1.72 4.64 -0.57 -3.45 113.55 115.88 1s36 h SER 142 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1s36 h SER 142 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1s36 h SER 142 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1s36 n GLY 143 N -0.10 1.08 0.29 -0.77 0.00 -0.59 -4.88 105.19 100.21 1s36 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1s36 n GLY 143 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s36 h ILE 144 N 0.00 1.18 -1.41 -0.61 2.10 -1.80 -3.38 117.51 113.60 1s36 h ILE 144 Ca 0.00 -0.64 -0.39 0.00 1.08 0.00 0.00 64.86 64.91 1s36 h ILE 144 Cb 0.00 0.77 -0.28 0.00 -1.09 0.00 0.00 36.82 36.23 1s36 h ILE 144 CO 0.00 0.23 -0.79 -0.24 -1.08 0.00 0.00 178.15 176.28 1s36 n SER 145 N -4.33 -1.58 0.23 2.19 2.88 -0.91 -4.75 113.62 107.35 1s36 n SER 145 Ca 0.02 -2.80 0.10 0.00 -1.33 0.00 0.00 58.87 54.87 1s36 n SER 145 Cb 0.19 0.52 0.56 0.00 -0.75 0.00 0.00 64.21 64.73 1s36 n SER 145 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1s36 h PRO 146 N 4.69 0.00 -6.25 -1.46 0.11 -1.75 -3.21 132.00 124.13 1s36 h PRO 146 Ca 0.07 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.62 1s36 h PRO 146 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1s36 h PRO 146 CO 0.30 0.21 1.04 0.45 -0.21 0.00 0.00 178.00 179.79 1s36 s SER 147 N -6.28 6.64 0.25 -2.05 0.15 -1.26 -4.72 113.70 106.43 1s36 s SER 147 Ca -0.01 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.37 1s36 s SER 147 Cb 0.12 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 62.38 1s36 s SER 147 CO 0.63 -1.02 1.73 1.56 1.20 0.00 0.00 173.24 177.34 1s36 h GLN 148 N 9.59 0.45 -0.01 5.44 4.20 -1.96 -1.31 115.11 131.53 1s36 h GLN 148 Ca -0.32 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 1s36 h GLN 148 Cb 1.14 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1s36 h GLN 148 CO 0.98 0.30 -0.21 0.93 -0.67 0.00 0.00 178.83 180.17 1s36 h GLU 149 N 0.47 0.01 0.08 1.46 4.39 -1.97 0.17 114.58 119.18 1s36 h GLU 149 Ca 0.43 -0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.84 1s36 h GLU 149 Cb 0.66 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1s36 h GLU 149 CO -0.41 0.22 -1.17 -0.44 -1.16 0.00 0.00 179.01 176.05 1s36 h ASP 150 N 0.01 0.88 -0.95 1.42 3.45 -1.70 0.53 116.42 120.06 1s36 h ASP 150 Ca 0.00 -0.77 0.01 0.00 0.43 0.00 0.00 57.03 56.70 1s36 h ASP 150 Cb 0.37 -0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 1s36 h ASP 150 CO 0.03 1.57 0.63 0.00 -1.57 0.00 0.00 179.24 179.90 1s36 h GLU 152 N 1.29 0.82 -0.68 0.00 5.08 -0.57 -2.65 114.58 117.87 1s36 h GLU 152 Ca 0.35 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1s36 h GLU 152 Cb -0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1s36 h GLU 152 CO -0.07 0.82 0.30 0.00 -1.00 0.00 0.00 179.01 179.06 1s36 h ALA 153 N 1.23 1.25 -0.73 3.43 0.00 -0.40 -0.94 119.26 123.10 1s36 h ALA 153 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1s36 h ALA 153 Cb 0.46 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1s36 h ALA 153 CO 0.02 0.56 0.43 1.15 0.00 0.00 0.00 179.25 181.41 1s36 h THR 154 N 0.97 1.00 -0.06 0.00 2.02 -0.90 0.21 112.91 116.16 1s36 h THR 154 Ca 0.23 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 1s36 h THR 154 Cb 0.14 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1s36 h THR 154 CO -0.03 0.14 -0.78 -0.26 0.37 0.00 0.00 175.52 174.97 1s36 h PHE 155 N 0.79 0.54 -0.41 3.16 -1.00 -1.28 -1.12 116.94 117.62 1s36 h PHE 155 Ca 0.32 -0.25 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 1s36 h PHE 155 Cb 0.17 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1s36 h PHE 155 CO -0.06 1.02 -0.08 0.00 -1.61 0.00 0.00 178.31 177.58 1s36 h ARG 156 N 0.25 0.71 -0.14 1.51 3.08 -0.70 -3.22 114.38 115.87 1s36 h ARG 156 Ca -0.04 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1s36 h ARG 156 Cb 1.37 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 1s36 h ARG 156 CO 0.13 0.78 -0.11 1.25 -1.07 0.00 0.00 179.97 180.95 1s36 h HIS 157 N 0.65 0.39 -4.27 3.04 2.76 -0.27 -3.46 115.15 113.99 1s36 h HIS 157 Ca 0.12 -0.11 -0.50 0.00 -2.20 0.00 0.00 60.37 57.68 1s36 h HIS 157 Cb 0.53 -0.08 0.07 0.00 1.55 0.00 0.00 27.41 29.47 1s36 h HIS 157 CO 0.02 0.69 0.38 0.00 -1.30 0.00 0.00 177.93 177.73 1s36 s ASP 159 N -3.38 6.81 0.32 0.00 1.01 -1.26 -4.92 116.67 115.24 1s36 s ASP 159 Ca 0.60 0.81 0.06 0.00 0.71 0.00 0.00 52.55 54.73 1s36 s ASP 159 Cb -0.14 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 1s36 s ASP 159 CO 0.45 -0.94 0.43 -0.76 0.21 0.00 0.00 175.17 174.56 1s36 s LEU 160 N 3.75 3.99 0.91 1.23 1.43 -1.26 -4.75 118.68 123.97 1s36 s LEU 160 Ca 0.44 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1s36 s LEU 160 Cb -0.11 -2.71 0.15 0.00 0.03 0.00 0.00 46.19 43.55 1s36 s LEU 160 CO 0.19 -0.36 1.25 1.51 0.23 0.00 0.00 176.35 179.18 1s36 s ASP 161 N -4.12 3.60 0.60 2.29 1.47 -0.25 -4.88 116.67 115.38 1s36 s ASP 161 Ca 0.43 0.51 0.39 0.00 1.18 0.00 0.00 52.55 55.06 1s36 s ASP 161 Cb -0.09 -0.76 2.12 0.00 -0.34 0.00 0.00 42.92 43.85 1s36 s ASP 161 CO 0.30 -2.45 2.19 -1.13 0.68 0.00 0.00 175.17 174.77 1s36 h ASN 162 N -1.44 0.00 -0.02 2.11 -1.24 -2.00 0.25 115.58 113.24 1s36 h ASN 162 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1s36 h ASN 162 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 1s36 h ASN 162 CO 0.50 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.44 1s36 n SER 163 N -2.89 0.78 -0.16 1.15 7.64 -1.26 -4.91 113.62 113.97 1s36 n SER 163 Ca -0.03 -1.31 -0.02 0.00 1.01 0.00 0.00 58.87 58.52 1s36 n SER 163 Cb 0.09 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1s36 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s36 n GLY 164 N 1.07 0.55 3.96 0.23 0.00 0.08 -5.05 105.19 106.03 1s36 n GLY 164 Ca 0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1s36 n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s36 s ASP 165 N -2.66 6.17 -0.21 1.61 1.01 -1.26 -4.60 116.67 116.73 1s36 s ASP 165 Ca 0.00 -0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.15 1s36 s ASP 165 Cb 0.00 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1s36 s ASP 165 CO 0.00 -0.16 0.10 -0.22 0.21 0.00 0.00 175.17 175.10 1s36 s LEU 166 N -4.02 3.87 0.40 1.23 2.96 -0.04 -1.09 118.68 121.99 1s36 s LEU 166 Ca 0.37 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1s36 s LEU 166 Cb -0.09 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1s36 s LEU 166 CO 0.29 0.10 0.62 1.51 -1.32 0.00 0.00 176.35 177.56 1s36 s ASP 167 N 0.81 6.12 0.32 3.68 1.47 -1.26 -0.44 116.67 127.37 1s36 s ASP 167 Ca 0.05 0.45 0.10 0.00 1.18 0.00 0.00 52.55 54.32 1s36 s ASP 167 Cb -0.13 -1.87 0.53 0.00 -0.34 0.00 0.00 42.92 41.11 1s36 s ASP 167 CO 0.02 -0.48 1.73 1.62 0.68 0.00 0.00 175.17 178.74 1s36 h VAL 168 N 0.55 1.32 -0.19 2.11 3.04 -1.98 -1.96 116.25 119.15 1s36 h VAL 168 Ca -0.48 -1.57 -0.17 0.00 -1.01 0.00 0.00 66.70 63.47 1s36 h VAL 168 Cb 1.23 1.79 -0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1s36 h VAL 168 CO 0.60 0.46 -0.57 0.44 -1.01 0.00 0.00 177.57 177.48 1s36 h ASP 169 N 0.08 0.67 -0.25 3.17 3.32 -1.95 -0.34 116.42 121.12 1s36 h ASP 169 Ca 0.00 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1s36 h ASP 169 Cb 0.82 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1s36 h ASP 169 CO 0.06 1.10 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.38 1s36 h GLU 170 N 0.46 0.60 -0.81 3.56 4.57 -1.87 -1.00 114.58 120.08 1s36 h GLU 170 Ca 0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1s36 h GLU 170 Cb 1.13 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 1s36 h GLU 170 CO 0.11 0.90 0.53 1.98 -1.18 0.00 0.00 179.01 181.35 1s36 h MET 171 N 0.31 1.04 0.34 1.92 4.05 -1.28 -1.96 114.93 119.35 1s36 h MET 171 Ca 0.04 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1s36 h MET 171 Cb 0.78 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1s36 h MET 171 CO 0.06 0.69 -0.16 1.15 0.23 0.00 0.00 176.91 178.87 1s36 h THR 172 N 1.07 0.67 -0.36 -0.77 2.02 -0.95 -1.58 112.91 113.01 1s36 h THR 172 Ca 0.31 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.38 1s36 h THR 172 Cb -0.08 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1s36 h THR 172 CO -0.08 0.00 -0.12 0.08 0.37 0.00 0.00 175.52 175.77 1s36 h ARG 173 N -0.47 0.64 -0.15 6.66 0.11 -1.05 0.52 114.38 120.63 1s36 h ARG 173 Ca -0.05 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1s36 h ARG 173 Cb 0.36 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1s36 h ARG 173 CO 0.08 0.74 0.10 1.96 0.10 0.00 0.00 179.97 182.94 1s36 h GLN 174 N 0.58 0.20 -0.10 0.08 1.08 -1.33 -2.43 115.11 113.20 1s36 h GLN 174 Ca 0.10 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 1s36 h GLN 174 Cb 0.55 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1s36 h GLN 174 CO 0.03 0.15 -0.55 0.45 -0.95 0.00 0.00 178.83 177.96 1s36 h HIS 175 N 0.20 0.36 -0.58 2.96 3.86 -0.87 0.44 115.15 121.52 1s36 h HIS 175 Ca 0.06 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1s36 h HIS 175 Cb -0.01 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 1s36 h HIS 175 CO -0.06 0.77 0.33 1.25 0.86 0.00 0.00 177.93 181.08 1s36 h LEU 176 N 0.22 0.50 -0.68 2.43 5.85 -0.87 0.88 115.31 123.64 1s36 h LEU 176 Ca 0.00 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1s36 h LEU 176 Cb 1.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1s36 h LEU 176 CO 0.09 0.35 -0.29 1.23 -0.34 0.00 0.00 178.44 179.47 1s36 h GLY 177 N 0.63 0.77 0.38 3.75 0.00 -1.14 -1.03 103.07 106.43 1s36 h GLY 177 Ca 0.24 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1s36 h GLY 177 CO -0.14 0.63 -0.03 -2.75 0.00 0.00 0.00 176.54 174.25 1s36 h PHE 178 N 0.61 -0.08 0.20 5.60 3.57 -0.57 -0.53 116.94 125.72 1s36 h PHE 178 Ca 0.07 -0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.24 1s36 h PHE 178 Cb 0.80 0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.58 1s36 h PHE 178 CO 0.04 0.46 -1.56 -1.49 -2.23 0.00 0.00 178.31 173.53 1s36 h TRP 179 N -0.71 0.76 0.05 0.41 -0.00 -0.93 -3.39 115.95 112.14 1s36 h TRP 179 Ca -0.01 -0.55 -0.38 0.00 -0.00 0.00 0.00 58.89 57.95 1s36 h TRP 179 Cb 0.58 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.66 1s36 h TRP 179 CO 0.12 1.54 -2.26 0.66 -0.00 0.00 0.00 178.44 178.50 1s36 n TYR 180 N -3.61 0.55 -0.12 0.49 0.53 -0.39 -4.73 117.16 109.87 1s36 n TYR 180 Ca -0.18 0.12 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 1s36 n TYR 180 Cb 1.08 -1.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.32 1s36 n TYR 180 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1s36 n THR 181 N -3.38 0.19 -3.93 -0.72 -2.24 -1.20 -4.59 114.28 98.42 1s36 n THR 181 Ca -0.40 -0.54 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 1s36 n THR 181 Cb 1.01 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 70.22 1s36 n THR 181 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1s36 n LEU 182 N -0.10 -2.28 -4.70 3.22 7.94 -0.60 -4.47 117.00 116.01 1s36 n LEU 182 Ca 0.00 -1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 53.47 1s36 n LEU 182 Cb 0.08 -2.25 -0.03 0.00 0.53 0.00 0.00 43.42 41.76 1s36 n LEU 182 CO 0.00 0.44 1.16 -0.62 -1.11 0.00 0.00 177.39 177.26 1s36 s ASP 183 N -4.31 6.76 0.54 1.96 3.68 -0.31 -4.90 116.67 120.09 1s36 s ASP 183 Ca 0.04 2.31 0.26 0.00 2.13 0.00 0.00 52.55 57.28 1s36 s ASP 183 Cb -0.01 -2.57 1.53 0.00 -1.45 0.00 0.00 42.92 40.41 1s36 s ASP 183 CO 0.88 -0.75 2.14 1.55 0.13 0.00 0.00 175.17 179.13 1s36 h PRO 184 N 7.56 0.00 0.00 4.34 0.13 -1.90 0.95 132.00 143.07 1s36 h PRO 184 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1s36 h PRO 184 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s36 h PRO 184 CO 0.90 0.07 -0.01 0.93 -0.23 0.00 0.00 178.00 179.66 1s36 h GLU 185 N 0.00 0.00 0.00 0.86 5.08 -1.97 -2.97 114.58 115.58 1s36 h GLU 185 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1s36 h GLU 185 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s36 h GLU 185 CO 0.01 0.01 -1.19 0.00 -1.00 0.00 0.00 179.01 176.84 1s36 n ALA 186 N -2.10 2.45 -1.71 3.43 0.00 0.31 -4.92 120.51 117.97 1s36 n ALA 186 Ca -0.01 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 1s36 n ALA 186 Cb 0.23 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1s36 n ALA 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s36 n ASP 187 N -2.67 3.24 0.00 0.00 8.00 -1.12 -1.64 116.55 122.37 1s36 n ASP 187 Ca -0.02 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1s36 n ASP 187 Cb 0.60 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1s36 n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s36 n GLY 188 N 1.86 1.05 0.34 0.44 0.00 -1.26 -4.98 105.19 102.64 1s36 n GLY 188 Ca 0.09 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.38 1s36 n GLY 188 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s36 h LEU 189 N 0.00 0.43 -3.39 0.99 5.85 -1.66 -0.44 115.31 117.09 1s36 h LEU 189 Ca 0.00 0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 1s36 h LEU 189 Cb 0.00 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 1s36 h LEU 189 CO 0.00 -0.25 0.04 -1.22 -0.34 0.00 0.00 178.44 176.67 1s36 n TYR 190 N -5.11 1.30 0.00 1.25 4.02 -1.26 -3.82 117.16 113.54 1s36 n TYR 190 Ca 0.34 -1.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.04 1s36 n TYR 190 Cb 1.12 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 1s36 n TYR 190 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s36 n GLY 191 N -0.67 3.50 0.39 2.72 0.00 -0.18 -0.45 105.19 110.50 1s36 n GLY 191 Ca 0.30 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1s36 n GLY 191 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s36 n ASN 192 N 4.85 1.21 0.06 1.61 3.02 -1.26 -4.40 115.26 120.35 1s36 n ASN 192 Ca 0.00 -1.40 -0.06 0.00 -0.03 0.00 0.00 54.58 53.09 1s36 n ASN 192 Cb 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.30 1s36 n ASN 192 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1s36 h GLY 193 N 4.88 0.39 -6.55 7.41 0.00 -1.12 -3.42 103.07 104.66 1s36 h GLY 193 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 47.33 46.61 1s36 h GLY 193 CO 0.00 0.39 -0.68 0.14 0.00 0.00 0.00 176.54 176.39 1s36 s VAL 194 N -3.97 -0.08 -2.00 4.60 1.01 -1.25 -4.94 120.40 113.78 1s36 s VAL 194 Ca -0.05 0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.34 1s36 s VAL 194 Cb 0.12 -0.16 0.48 0.00 0.00 0.00 0.00 36.38 36.82 1s36 s VAL 194 CO 0.81 0.10 1.41 -0.81 0.00 0.00 0.00 175.10 176.60