#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bz2 h PRO 36 N 0.00 0.00 -0.71 0.00 0.13 -2.08 -3.05 132.00 126.29 2bz2 h PRO 36 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2bz2 h PRO 36 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2bz2 h PRO 36 CO 0.00 0.06 0.47 0.00 -0.23 0.00 0.00 178.00 178.29 2bz2 h ARG 37 N 0.00 0.74 -6.72 0.86 2.47 -2.09 -3.40 114.38 106.24 2bz2 h ARG 37 Ca -0.00 -0.04 -0.51 0.00 -1.26 0.00 0.00 59.98 58.17 2bz2 h ARG 37 Cb 0.55 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2bz2 h ARG 37 CO 0.01 0.49 0.44 0.21 0.56 0.00 0.00 179.97 181.68 2bz2 s LYS 38 N -5.68 4.68 0.00 0.04 2.20 -1.16 -4.99 119.74 114.84 2bz2 s LYS 38 Ca -0.10 1.67 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 2bz2 s LYS 38 Cb 0.19 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2bz2 s LYS 38 CO 0.77 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 176.41 2bz2 n GLY 39 N 1.64 0.95 3.18 5.54 0.00 -1.26 -4.98 105.19 110.26 2bz2 n GLY 39 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.20 2bz2 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bz2 s ASN 40 N -0.66 -1.50 0.08 1.61 3.84 -1.26 -4.92 114.94 112.14 2bz2 s ASN 40 Ca 0.00 -0.58 -0.21 0.00 0.21 0.00 0.00 52.86 52.28 2bz2 s ASN 40 Cb 0.00 1.92 -0.07 0.00 -0.55 0.00 0.00 41.25 42.55 2bz2 s ASN 40 CO 0.00 -0.19 0.62 -0.89 -2.79 0.00 0.00 177.10 173.85 2bz2 s THR 41 N 2.03 4.68 -0.04 -5.21 2.01 -1.26 -1.89 115.64 115.97 2bz2 s THR 41 Ca 0.15 1.32 0.02 0.00 0.31 0.00 0.00 61.69 63.49 2bz2 s THR 41 Cb -0.05 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2bz2 s THR 41 CO -0.11 0.53 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 2bz2 s LEU 42 N -1.00 3.20 -0.31 4.42 1.02 0.48 -4.07 118.68 122.41 2bz2 s LEU 42 Ca 0.31 -0.06 -0.16 0.00 0.02 0.00 0.00 54.13 54.24 2bz2 s LEU 42 Cb -0.20 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 2bz2 s LEU 42 CO 0.20 0.33 0.42 -0.47 0.02 0.00 0.00 176.35 176.86 2bz2 s TYR 43 N -0.89 3.22 -0.10 0.29 5.04 -0.76 -1.05 117.35 123.10 2bz2 s TYR 43 Ca 0.14 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.02 2bz2 s TYR 43 Cb -0.11 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 2bz2 s TYR 43 CO 0.04 -0.39 -0.15 0.08 -1.34 0.00 0.00 175.55 173.79 2bz2 s VAL 44 N 2.17 2.90 0.03 3.14 1.01 0.61 0.13 120.40 130.40 2bz2 s VAL 44 Ca 0.16 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.47 2bz2 s VAL 44 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2bz2 s VAL 44 CO 0.11 0.55 -0.22 -0.47 0.00 0.00 0.00 175.10 175.07 2bz2 s TYR 45 N -0.03 1.94 -1.70 5.22 5.04 0.28 0.63 117.35 128.72 2bz2 s TYR 45 Ca -0.04 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 2bz2 s TYR 45 Cb -0.14 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 40.99 2bz2 s TYR 45 CO 0.04 0.08 0.00 0.41 -1.34 0.00 0.00 175.55 174.74 2bz2 n GLY 46 N 1.96 -1.52 3.44 8.97 0.00 -1.19 0.35 105.19 117.19 2bz2 n GLY 46 Ca -0.17 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 2bz2 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bz2 s GLU 47 N -1.38 1.59 -1.33 1.61 2.02 -1.26 -4.68 118.70 115.28 2bz2 s GLU 47 Ca 0.00 -1.70 -0.16 0.00 0.02 0.00 0.00 54.97 53.12 2bz2 s GLU 47 Cb 0.00 -1.66 0.02 0.00 0.10 0.00 0.00 34.13 32.58 2bz2 s GLU 47 CO 0.00 0.31 0.47 -0.25 0.02 0.00 0.00 175.26 175.82 2bz2 n ASP 48 N -0.45 -2.26 -4.67 -0.19 8.00 -1.26 -4.92 116.55 110.79 2bz2 n ASP 48 Ca -0.07 -1.19 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 2bz2 n ASP 48 Cb 0.60 -2.24 -0.10 0.00 -0.02 0.00 0.00 41.12 39.36 2bz2 n ASP 48 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2bz2 s MET 49 N -6.99 3.28 0.40 -1.24 -1.94 -1.26 -5.11 119.30 106.44 2bz2 s MET 49 Ca 0.27 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 2bz2 s MET 49 Cb -0.13 -2.91 -0.08 0.00 2.01 0.00 0.00 34.83 33.72 2bz2 s MET 49 CO 0.94 0.58 0.00 0.95 -0.01 0.00 0.00 175.02 177.49 2bz2 s THR 50 N -0.53 1.95 -0.03 2.05 -4.23 -1.26 -5.05 115.64 108.54 2bz2 s THR 50 Ca 0.09 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.34 2bz2 s THR 50 Cb -0.12 -2.95 -0.19 0.00 1.34 0.00 0.00 72.50 70.58 2bz2 s THR 50 CO 0.02 -0.02 1.14 1.55 -0.54 0.00 0.00 174.62 176.77 2bz2 h PRO 51 N 1.82 -0.12 -0.96 3.99 0.13 -1.99 -2.00 132.00 132.87 2bz2 h PRO 51 Ca -0.44 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.82 2bz2 h PRO 51 Cb 1.24 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 2bz2 h PRO 51 CO 0.79 0.35 0.59 1.15 -0.23 0.00 0.00 178.00 180.65 2bz2 h THR 52 N -0.65 0.89 -0.01 1.56 2.02 -1.98 0.40 112.91 115.14 2bz2 h THR 52 Ca -0.01 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2bz2 h THR 52 Cb 0.52 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2bz2 h THR 52 CO 0.02 0.17 -0.00 0.25 0.37 0.00 0.00 175.52 176.32 2bz2 h LEU 53 N 0.92 0.02 -0.14 2.58 5.85 -1.98 -2.39 115.31 120.17 2bz2 h LEU 53 Ca 0.48 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bz2 h LEU 53 Cb 0.50 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2bz2 h LEU 53 CO -0.28 0.39 0.06 -0.07 -0.34 0.00 0.00 178.44 178.21 2bz2 h LEU 54 N -0.35 0.09 -1.31 2.25 3.38 -0.56 0.18 115.31 118.99 2bz2 h LEU 54 Ca 0.00 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.18 2bz2 h LEU 54 Cb 0.38 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2bz2 h LEU 54 CO 0.00 0.07 0.61 -0.09 0.09 0.00 0.00 178.44 179.12 2bz2 h ARG 55 N 0.14 0.54 -0.00 1.13 2.43 -0.22 0.49 114.38 118.89 2bz2 h ARG 55 Ca 0.06 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2bz2 h ARG 55 Cb 0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2bz2 h ARG 55 CO -0.05 0.36 -0.79 0.78 -1.51 0.00 0.00 179.97 178.77 2bz2 h GLY 56 N 0.56 0.05 1.97 2.80 0.00 -0.72 2.07 103.07 109.80 2bz2 h GLY 56 Ca 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2bz2 h GLY 56 CO -0.25 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.35 2bz2 n ALA 57 N -2.41 2.36 -0.33 3.60 0.00 0.14 -3.56 120.51 120.31 2bz2 n ALA 57 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2bz2 n ALA 57 Cb 0.75 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2bz2 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2bz2 n PHE 58 N -1.55 0.00 0.14 0.00 3.01 0.63 -4.68 117.46 115.01 2bz2 n PHE 58 Ca 0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.40 2bz2 n PHE 58 Cb 0.35 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.74 2bz2 n PHE 58 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2bz2 h SER 59 N 0.00 -0.32 0.52 4.37 0.02 0.33 -3.13 113.55 115.35 2bz2 h SER 59 Ca 0.00 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 2bz2 h SER 59 Cb 0.17 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bz2 h SER 59 CO 0.00 0.09 -0.37 1.55 -1.14 0.00 0.00 176.83 176.96 2bz2 h PRO 60 N -0.78 0.00 0.00 3.45 0.13 -1.80 -2.52 132.00 130.49 2bz2 h PRO 60 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2bz2 h PRO 60 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2bz2 h PRO 60 CO 0.06 0.37 0.00 1.19 -0.23 0.00 0.00 178.00 179.39 2bz2 n PHE 61 N -3.85 0.17 0.00 1.56 3.72 -1.22 -4.93 117.46 112.90 2bz2 n PHE 61 Ca -0.01 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2bz2 n PHE 61 Cb 0.44 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 2bz2 n PHE 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bz2 n GLY 62 N 0.12 0.60 3.80 1.37 0.00 -0.95 -4.56 105.19 105.57 2bz2 n GLY 62 Ca 0.03 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2bz2 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bz2 s ASN 63 N 0.00 7.01 -0.26 1.61 0.01 -1.26 -4.24 114.94 117.80 2bz2 s ASN 63 Ca 0.00 1.20 -0.10 0.00 -0.71 0.00 0.00 52.86 53.25 2bz2 s ASN 63 Cb 0.00 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 2bz2 s ASN 63 CO 0.00 0.23 0.14 -0.63 -1.51 0.00 0.00 177.10 175.33 2bz2 s ILE 64 N -0.82 4.98 0.15 0.60 1.01 -1.26 -2.79 121.20 123.08 2bz2 s ILE 64 Ca 0.29 0.06 0.12 0.00 0.00 0.00 0.00 60.65 61.11 2bz2 s ILE 64 Cb -0.19 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2bz2 s ILE 64 CO 0.18 0.29 1.52 0.16 0.00 0.00 0.00 174.94 177.09 2bz2 h ILE 65 N 5.37 1.33 -2.51 2.92 3.07 -1.86 -3.46 117.51 122.38 2bz2 h ILE 65 Ca -0.36 -2.38 -0.09 0.00 1.55 0.00 0.00 64.86 63.57 2bz2 h ILE 65 Cb 1.18 2.33 -0.22 0.00 -0.27 0.00 0.00 36.82 39.84 2bz2 h ILE 65 CO 0.57 0.65 -0.10 -0.62 -1.05 0.00 0.00 178.15 177.60 2bz2 s ASP 66 N -6.67 -0.51 -0.08 2.16 2.15 -1.26 -5.07 116.67 107.38 2bz2 s ASP 66 Ca 0.00 0.89 0.03 0.00 0.43 0.00 0.00 52.55 53.90 2bz2 s ASP 66 Cb 0.11 0.91 0.01 0.00 -0.30 0.00 0.00 42.92 43.65 2bz2 s ASP 66 CO 0.76 -0.25 -0.16 -0.22 -0.17 0.00 0.00 175.17 175.13 2bz2 s LEU 67 N -0.06 1.80 0.20 -1.34 0.20 -1.26 -2.48 118.68 115.74 2bz2 s LEU 67 Ca -0.03 -0.40 0.10 0.00 0.69 0.00 0.00 54.13 54.49 2bz2 s LEU 67 Cb -0.03 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 2bz2 s LEU 67 CO 0.02 0.07 -0.19 -0.55 -0.29 0.00 0.00 176.35 175.42 2bz2 s SER 68 N 0.59 2.96 0.01 3.68 0.15 -0.84 -5.02 113.70 115.23 2bz2 s SER 68 Ca -0.15 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.57 2bz2 s SER 68 Cb -0.16 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.94 2bz2 s SER 68 CO 0.05 -0.03 -0.02 -0.04 1.20 0.00 0.00 173.24 174.40 2bz2 s MET 69 N -3.12 0.21 -0.37 5.44 -1.94 -1.26 -1.28 119.30 116.98 2bz2 s MET 69 Ca 0.21 -0.26 0.04 0.00 -1.71 0.00 0.00 55.69 53.96 2bz2 s MET 69 Cb -0.05 -0.07 0.11 0.00 2.01 0.00 0.00 34.83 36.82 2bz2 s MET 69 CO 0.09 0.01 0.09 -0.51 -0.01 0.00 0.00 175.02 174.69 2bz2 s ASP 70 N -0.55 4.60 0.28 3.03 1.11 0.42 -4.94 116.67 120.63 2bz2 s ASP 70 Ca -0.05 -2.27 0.13 0.00 0.18 0.00 0.00 52.55 50.54 2bz2 s ASP 70 Cb -0.04 -1.55 0.33 0.00 1.07 0.00 0.00 42.92 42.73 2bz2 s ASP 70 CO -0.00 -0.36 1.58 1.55 1.18 0.00 0.00 175.17 179.12 2bz2 h PRO 71 N 7.44 0.00 0.00 8.23 0.13 -1.96 -0.08 132.00 145.76 2bz2 h PRO 71 Ca -0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2bz2 h PRO 71 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2bz2 h PRO 71 CO 0.54 0.59 -0.30 -1.00 -0.23 0.00 0.00 178.00 177.60 2bz2 h PRO 72 N 0.00 0.00 -0.01 1.56 0.13 -1.93 -3.23 132.00 128.52 2bz2 h PRO 72 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2bz2 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bz2 h PRO 72 CO 0.08 0.30 -0.03 0.54 -0.23 0.00 0.00 178.00 178.66 2bz2 n ARG 73 N -3.29 0.59 -3.42 0.86 1.74 -1.22 -4.99 116.66 106.93 2bz2 n ARG 73 Ca 0.01 -0.96 -0.20 0.00 -0.77 0.00 0.00 57.85 55.94 2bz2 n ARG 73 Cb 0.56 -1.15 0.07 0.00 -1.02 0.00 0.00 32.46 30.92 2bz2 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2bz2 n ASN 74 N 0.37 -5.24 -4.08 0.55 3.02 -0.51 -5.00 115.26 104.37 2bz2 n ASN 74 Ca 0.05 -0.48 -0.07 0.00 -0.03 0.00 0.00 54.58 54.05 2bz2 n ASN 74 Cb 0.22 -4.44 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 2bz2 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bz2 s ALA 76 N -3.71 1.38 -0.03 0.00 0.00 0.20 0.16 121.76 119.76 2bz2 s ALA 76 Ca 0.05 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.49 2bz2 s ALA 76 Cb 0.06 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2bz2 s ALA 76 CO -0.09 -0.27 -0.18 -0.06 0.00 0.00 0.00 175.76 175.16 2bz2 s PHE 77 N -3.58 1.67 -0.08 0.00 0.08 -0.40 -0.28 117.98 115.39 2bz2 s PHE 77 Ca 0.22 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.92 2bz2 s PHE 77 Cb 0.05 -1.10 -0.00 0.00 -0.57 0.00 0.00 43.02 41.40 2bz2 s PHE 77 CO 0.03 -0.09 -0.22 0.08 -0.10 0.00 0.00 175.22 174.92 2bz2 s VAL 78 N -0.20 1.84 -0.20 -0.44 1.01 -0.21 -1.98 120.40 120.22 2bz2 s VAL 78 Ca 0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2bz2 s VAL 78 Cb -0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2bz2 s VAL 78 CO 0.01 0.51 0.01 -0.89 0.00 0.00 0.00 175.10 174.74 2bz2 s THR 79 N 0.22 4.12 -0.10 3.92 2.01 -1.03 0.18 115.64 124.96 2bz2 s THR 79 Ca -0.13 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2bz2 s THR 79 Cb -0.16 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2bz2 s THR 79 CO 0.06 0.43 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.03 2bz2 s TYR 80 N 0.86 2.89 0.60 4.92 2.02 -0.79 -2.77 117.35 125.08 2bz2 s TYR 80 Ca 0.01 -0.25 0.35 0.00 -0.37 0.00 0.00 57.07 56.81 2bz2 s TYR 80 Cb -0.14 -1.79 2.00 0.00 -0.40 0.00 0.00 41.96 41.63 2bz2 s TYR 80 CO 0.02 0.08 2.28 1.49 -1.57 0.00 0.00 175.55 177.85 2bz2 h GLU 81 N 5.99 0.00 -4.88 -0.62 4.81 -1.87 -3.36 114.58 114.65 2bz2 h GLU 81 Ca -0.38 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.31 2bz2 h GLU 81 Cb 1.18 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.24 2bz2 h GLU 81 CO 0.55 0.01 -0.83 0.15 -0.73 0.00 0.00 179.01 178.17 2bz2 s LYS 82 N -4.43 1.81 0.63 1.92 1.02 -1.26 -4.97 119.74 114.45 2bz2 s LYS 82 Ca -0.05 -0.52 0.37 0.00 0.02 0.00 0.00 55.97 55.80 2bz2 s LYS 82 Cb 0.14 -1.51 2.12 0.00 -0.52 0.00 0.00 37.83 38.06 2bz2 s LYS 82 CO 0.50 0.12 2.31 0.52 -0.92 0.00 0.00 175.35 177.88 2bz2 h MET 83 N 6.66 0.00 0.00 1.68 2.86 -1.91 0.46 114.93 124.68 2bz2 h MET 83 Ca -0.30 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2bz2 h MET 83 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2bz2 h MET 83 CO 0.48 0.01 -0.25 0.93 1.06 0.00 0.00 176.91 179.13 2bz2 h GLU 84 N 0.00 0.00 0.00 1.72 4.39 -1.95 -2.65 114.58 116.10 2bz2 h GLU 84 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2bz2 h GLU 84 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2bz2 h GLU 84 CO 0.00 0.25 -0.63 0.77 -1.16 0.00 0.00 179.01 178.24 2bz2 h SER 85 N 0.00 0.00 0.20 1.42 0.02 -1.14 -2.54 113.55 111.51 2bz2 h SER 85 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 2bz2 h SER 85 Cb 0.79 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.37 2bz2 h SER 85 CO 0.03 0.63 -1.33 0.00 -1.14 0.00 0.00 176.83 175.02 2bz2 h ALA 86 N 1.37 -0.11 -0.36 3.77 0.00 -1.50 -2.41 119.26 120.02 2bz2 h ALA 86 Ca -0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 2bz2 h ALA 86 Cb 1.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2bz2 h ALA 86 CO 0.08 0.65 -0.13 -0.44 0.00 0.00 0.00 179.25 179.41 2bz2 h ASP 87 N 0.13 0.63 0.01 0.00 3.32 -1.50 0.43 116.42 119.44 2bz2 h ASP 87 Ca -0.22 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.46 2bz2 h ASP 87 Cb 2.03 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.41 2bz2 h ASP 87 CO 0.25 0.79 -0.65 -0.61 -1.72 0.00 0.00 179.24 177.30 2bz2 h GLN 88 N 0.58 0.61 0.06 3.56 5.75 -1.51 -1.53 115.11 122.62 2bz2 h GLN 88 Ca 0.10 -0.43 -0.24 0.00 -0.15 0.00 0.00 58.65 57.92 2bz2 h GLN 88 Cb 0.56 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.19 2bz2 h GLN 88 CO 0.04 1.05 -1.06 0.00 -2.65 0.00 0.00 178.83 176.21 2bz2 h ALA 89 N 0.84 0.27 0.00 3.38 0.00 -1.14 -2.41 119.26 120.20 2bz2 h ALA 89 Ca -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 2bz2 h ALA 89 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2bz2 h ALA 89 CO 0.12 0.88 -0.43 0.28 0.00 0.00 0.00 179.25 180.11 2bz2 h VAL 90 N 0.16 1.09 0.14 0.00 2.07 -0.12 0.94 116.25 120.53 2bz2 h VAL 90 Ca -0.10 -1.61 -0.28 0.00 0.82 0.00 0.00 66.70 65.53 2bz2 h VAL 90 Cb 1.73 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.43 2bz2 h VAL 90 CO 0.18 0.42 -1.28 0.00 0.02 0.00 0.00 177.57 176.91 2bz2 h ALA 91 N 1.57 0.08 0.10 1.67 0.00 -1.25 -2.22 119.26 119.20 2bz2 h ALA 91 Ca -0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 54.91 53.67 2bz2 h ALA 91 Cb 0.89 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2bz2 h ALA 91 CO 0.06 0.96 -1.84 0.39 0.00 0.00 0.00 179.25 178.81 2bz2 n GLU 92 N -3.55 0.72 -0.14 0.00 1.02 -0.91 -4.25 120.64 113.53 2bz2 n GLU 92 Ca -0.10 0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2bz2 n GLU 92 Cb 1.03 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 2bz2 n GLU 92 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2bz2 h LEU 93 N -0.18 0.91 -9.63 -4.62 3.38 0.77 -3.43 115.31 102.52 2bz2 h LEU 93 Ca -0.41 -0.41 -0.53 0.00 0.09 0.00 0.00 57.88 56.63 2bz2 h LEU 93 Cb 1.87 -0.25 0.04 0.00 0.09 0.00 0.00 40.66 42.41 2bz2 h LEU 93 CO 0.02 1.12 0.83 0.21 0.09 0.00 0.00 178.44 180.70 2bz2 s ASN 94 N -6.61 6.64 0.00 -0.43 2.47 -0.83 -3.19 114.94 112.98 2bz2 s ASN 94 Ca -0.12 2.58 0.00 0.00 0.42 0.00 0.00 52.86 55.74 2bz2 s ASN 94 Cb 0.11 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2bz2 s ASN 94 CO 0.85 -0.77 0.00 0.61 -3.72 0.00 0.00 177.10 174.07 2bz2 n GLY 95 N 3.35 0.65 3.23 1.21 0.00 -1.26 -4.85 105.19 107.52 2bz2 n GLY 95 Ca 0.12 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2bz2 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bz2 s THR 96 N -2.70 1.08 0.17 2.61 -4.23 -1.19 -5.10 115.64 106.28 2bz2 s THR 96 Ca 0.00 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2bz2 s THR 96 Cb 0.00 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 2bz2 s THR 96 CO 0.00 -0.75 -0.02 -1.58 -0.54 0.00 0.00 174.62 171.73 2bz2 s GLN 97 N -3.68 1.10 0.00 3.99 0.74 -1.26 -3.49 119.66 117.07 2bz2 s GLN 97 Ca 0.15 -1.52 0.00 0.00 0.05 0.00 0.00 55.36 54.04 2bz2 s GLN 97 Cb 0.02 -0.36 0.00 0.00 1.10 0.00 0.00 33.01 33.77 2bz2 s GLN 97 CO -0.00 -0.08 0.00 0.28 -0.55 0.00 0.00 175.29 174.94 2bz2 n VAL 98 N -0.24 0.00 0.32 1.34 0.31 0.47 -4.93 118.33 115.60 2bz2 n VAL 98 Ca -0.08 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.42 2bz2 n VAL 98 Cb 0.63 -0.10 0.85 0.00 -0.91 0.00 0.00 33.84 34.31 2bz2 n VAL 98 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2bz2 h GLU 99 N 0.00 0.00 0.00 5.55 5.08 -2.06 -3.31 114.58 119.84 2bz2 h GLU 99 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bz2 h GLU 99 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2bz2 h GLU 99 CO 0.00 0.00 -0.01 -1.13 -1.00 0.00 0.00 179.01 176.87 2bz2 n SER 100 N -2.98 -0.05 -4.14 1.42 3.41 -1.26 -5.16 113.62 104.86 2bz2 n SER 100 Ca -0.01 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 58.00 2bz2 n SER 100 Cb 0.37 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 2bz2 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bz2 s VAL 101 N 0.00 0.07 -0.05 -3.33 1.01 -1.25 -5.15 120.40 111.71 2bz2 s VAL 101 Ca 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 61.98 60.11 2bz2 s VAL 101 Cb 0.01 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.27 2bz2 s VAL 101 CO -0.00 -0.31 -0.00 -1.10 0.00 0.00 0.00 175.10 173.68 2bz2 s GLN 102 N -4.07 0.49 0.28 2.72 -0.21 -1.26 -0.40 119.66 117.21 2bz2 s GLN 102 Ca 0.27 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.76 2bz2 s GLN 102 Cb 0.07 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.30 2bz2 s GLN 102 CO 0.05 -0.21 0.44 -1.17 -2.12 0.00 0.00 175.29 172.28 2bz2 s LEU 103 N 1.47 4.19 -0.02 2.90 0.20 -1.23 -4.52 118.68 121.66 2bz2 s LEU 103 Ca -0.03 0.27 -0.00 0.00 0.69 0.00 0.00 54.13 55.05 2bz2 s LEU 103 Cb -0.13 -3.08 0.03 0.00 -0.43 0.00 0.00 46.19 42.58 2bz2 s LEU 103 CO -0.03 -0.15 0.03 -0.54 -0.29 0.00 0.00 176.35 175.37 2bz2 s LYS 104 N -4.02 -0.04 -0.08 1.98 1.02 0.15 -4.44 119.74 114.32 2bz2 s LYS 104 Ca 0.37 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2bz2 s LYS 104 Cb -0.10 -0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 36.95 2bz2 s LYS 104 CO 0.32 -0.16 -0.07 0.08 -0.92 0.00 0.00 175.35 174.60 2bz2 s VAL 105 N 1.05 3.71 0.36 3.17 1.01 -1.26 1.00 120.40 129.43 2bz2 s VAL 105 Ca -0.09 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2bz2 s VAL 105 Cb -0.13 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2bz2 s VAL 105 CO -0.03 0.59 0.21 0.20 0.00 0.00 0.00 175.10 176.07 2bz2 s ASN 106 N -0.69 2.14 -0.12 3.32 0.01 0.36 -4.94 114.94 115.01 2bz2 s ASN 106 Ca 0.10 -1.73 -0.00 0.00 -0.71 0.00 0.00 52.86 50.53 2bz2 s ASN 106 Cb -0.11 0.55 -0.02 0.00 0.41 0.00 0.00 41.25 42.08 2bz2 s ASN 106 CO 0.02 -1.01 -0.12 -0.63 -1.51 0.00 0.00 177.10 173.84 2bz2 s ILE 107 N -3.36 3.12 0.06 0.60 -1.09 -1.26 -1.83 121.20 117.44 2bz2 s ILE 107 Ca 0.33 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2bz2 s ILE 107 Cb 0.02 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2bz2 s ILE 107 CO 0.22 0.53 0.12 0.00 -1.23 0.00 0.00 174.94 174.58 2bz2 s ALA 108 N 0.23 3.72 0.04 9.38 0.00 -1.26 -4.87 121.76 129.00 2bz2 s ALA 108 Ca -0.08 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.02 2bz2 s ALA 108 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2bz2 s ALA 108 CO 0.05 0.77 -0.17 1.03 0.00 0.00 0.00 175.76 177.44 2bz2 s ARG 109 N -2.33 2.12 0.33 0.00 0.52 -1.26 -4.87 118.95 113.46 2bz2 s ARG 109 Ca 0.30 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2bz2 s ARG 109 Cb -0.12 -2.22 0.60 0.00 0.52 0.00 0.00 34.95 33.73 2bz2 s ARG 109 CO 0.23 0.54 1.94 0.87 0.02 0.00 0.00 175.30 178.91 2bz2 h LYS 110 N 4.52 0.90 -6.12 3.54 1.57 -2.00 -3.40 116.57 115.59 2bz2 h LYS 110 Ca -0.48 -0.05 -0.56 0.00 -1.87 0.00 0.00 60.65 57.69 2bz2 h LYS 110 Cb 1.16 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 2bz2 h LYS 110 CO 0.48 0.60 0.22 -0.65 -0.57 0.00 0.00 179.45 179.53 2bz2 s GLN 111 N -5.81 4.45 0.43 3.15 -0.21 -1.26 -5.03 119.66 115.37 2bz2 s GLN 111 Ca -0.11 1.05 -0.24 0.00 0.02 0.00 0.00 55.36 56.09 2bz2 s GLN 111 Cb 0.19 -3.47 -0.08 0.00 1.00 0.00 0.00 33.01 30.65 2bz2 s GLN 111 CO 0.79 -0.04 1.17 -1.25 -2.12 0.00 0.00 175.29 173.84 2bz2 s PRO 112 N 1.11 3.91 0.00 2.91 0.04 -1.26 -5.18 135.00 136.52 2bz2 s PRO 112 Ca 0.42 1.81 0.16 0.00 0.04 0.00 0.00 61.00 63.43 2bz2 s PRO 112 Cb -0.18 -2.54 0.13 0.00 0.04 0.00 0.00 34.50 31.94 2bz2 s PRO 112 CO 0.20 -0.44 1.01 -1.33 0.04 0.00 0.00 177.00 176.48