#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bz2 s PRO 36 N 0.00 4.05 0.01 0.00 0.04 -1.26 -4.68 135.00 133.15 2bz2 s PRO 36 Ca 0.00 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2bz2 s PRO 36 Cb 0.00 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 2bz2 s PRO 36 CO 0.00 -0.35 -0.18 1.03 0.04 0.00 0.00 177.00 177.54 2bz2 s ARG 37 N -2.24 1.33 0.44 4.56 0.52 -1.26 -5.01 118.95 117.28 2bz2 s ARG 37 Ca 0.56 -0.71 0.14 0.00 -0.52 0.00 0.00 55.73 55.20 2bz2 s ARG 37 Cb -0.33 -1.33 1.03 0.00 0.52 0.00 0.00 34.95 34.85 2bz2 s ARG 37 CO 0.42 0.35 1.98 0.87 0.02 0.00 0.00 175.30 178.94 2bz2 h LYS 38 N 5.41 0.39 -0.90 3.54 1.57 -1.95 -1.29 116.57 123.35 2bz2 h LYS 38 Ca -0.38 -0.02 0.22 0.00 -1.87 0.00 0.00 60.65 58.60 2bz2 h LYS 38 Cb 1.16 -0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 2bz2 h LYS 38 CO 0.47 0.26 0.39 0.78 -0.57 0.00 0.00 179.45 180.77 2bz2 h GLY 39 N 0.40 1.53 -5.91 3.86 0.00 -1.86 -3.42 103.07 97.68 2bz2 h GLY 39 Ca 0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.25 2bz2 h GLY 39 CO -0.07 -0.27 -0.50 -2.01 0.00 0.00 0.00 176.54 173.69 2bz2 n ASN 40 N -5.05 -6.66 -4.75 0.19 2.85 -0.49 -1.76 115.26 99.60 2bz2 n ASN 40 Ca 0.22 -0.33 -0.41 0.00 -0.11 0.00 0.00 54.58 53.95 2bz2 n ASN 40 Cb 0.66 -3.84 -0.04 0.00 1.24 0.00 0.00 39.78 37.80 2bz2 n ASN 40 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2bz2 s THR 41 N -2.87 3.48 0.21 -0.44 2.01 -1.26 -2.43 115.64 114.34 2bz2 s THR 41 Ca 0.05 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.45 2bz2 s THR 41 Cb -0.01 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2bz2 s THR 41 CO 0.81 0.25 0.13 -0.22 -0.69 0.00 0.00 174.62 174.90 2bz2 s LEU 42 N -0.72 3.67 -0.16 4.42 2.96 0.43 -4.13 118.68 125.15 2bz2 s LEU 42 Ca 0.50 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 2bz2 s LEU 42 Cb -0.33 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2bz2 s LEU 42 CO 0.39 0.02 0.04 -0.47 -1.32 0.00 0.00 176.35 175.01 2bz2 s TYR 43 N -1.97 3.21 -0.09 5.38 5.04 -0.34 -1.95 117.35 126.64 2bz2 s TYR 43 Ca 0.31 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.00 2bz2 s TYR 43 Cb -0.09 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.25 2bz2 s TYR 43 CO 0.23 0.20 -0.11 0.08 -1.34 0.00 0.00 175.55 174.61 2bz2 s VAL 44 N 0.07 1.17 -0.08 3.14 1.01 -0.07 0.17 120.40 125.82 2bz2 s VAL 44 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2bz2 s VAL 44 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2bz2 s VAL 44 CO 0.01 0.38 -0.14 -0.47 0.00 0.00 0.00 175.10 174.88 2bz2 s TYR 45 N 1.09 2.73 0.00 5.22 5.04 0.23 -0.48 117.35 131.19 2bz2 s TYR 45 Ca -0.06 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2bz2 s TYR 45 Cb -0.14 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.45 2bz2 s TYR 45 CO -0.02 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.60 2bz2 n GLY 46 N 2.87 0.88 3.95 8.97 0.00 -1.10 -0.12 105.19 120.64 2bz2 n GLY 46 Ca -0.18 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2bz2 n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bz2 s GLU 47 N -2.00 3.45 -1.23 1.61 -1.05 -1.26 -4.42 118.70 113.79 2bz2 s GLU 47 Ca 0.00 -0.60 -0.21 0.00 -0.15 0.00 0.00 54.97 54.01 2bz2 s GLU 47 Cb 0.00 -2.94 0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2bz2 s GLU 47 CO 0.00 0.50 0.65 -0.25 0.95 0.00 0.00 175.26 177.11 2bz2 n ASP 48 N -0.68 -3.77 -4.75 0.83 8.00 -1.26 -4.94 116.55 109.98 2bz2 n ASP 48 Ca -0.07 -1.13 -0.35 0.00 0.71 0.00 0.00 54.79 53.95 2bz2 n ASP 48 Cb 0.54 -2.67 -0.08 0.00 -0.02 0.00 0.00 41.12 38.90 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 -6.63 3.11 0.31 -1.24 -1.94 -1.26 -5.11 119.30 106.53 2bz2 s MET 49 Ca 0.38 -0.36 0.10 0.00 -1.71 0.00 0.00 55.69 54.10 2bz2 s MET 49 Cb -0.17 -2.90 -0.06 0.00 2.01 0.00 0.00 34.83 33.71 2bz2 s MET 49 CO 0.91 0.71 -0.13 0.95 -0.01 0.00 0.00 175.02 177.45 2bz2 s THR 50 N -0.99 2.21 0.29 2.05 -4.23 -1.26 -4.98 115.64 108.72 2bz2 s THR 50 Ca 0.16 -2.26 0.15 0.00 -1.18 0.00 0.00 61.69 58.56 2bz2 s THR 50 Cb -0.12 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.33 2bz2 s THR 50 CO 0.05 -0.30 1.76 1.55 -0.54 0.00 0.00 174.62 177.14 2bz2 h PRO 51 N 2.16 0.00 -0.07 3.99 0.13 -1.99 -2.64 132.00 133.59 2bz2 h PRO 51 Ca -0.41 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 2bz2 h PRO 51 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2bz2 h PRO 51 CO 0.66 0.42 -0.47 1.79 -0.23 0.00 0.00 178.00 180.17 2bz2 h THR 52 N 0.00 1.40 -0.75 1.56 1.35 -1.99 -1.46 112.91 113.02 2bz2 h THR 52 Ca -0.00 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 63.97 2bz2 h THR 52 Cb 0.83 2.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 2bz2 h THR 52 CO 0.05 0.55 0.38 0.25 -0.25 0.00 0.00 175.52 176.50 2bz2 h LEU 53 N -0.02 0.97 -0.49 3.87 5.85 -1.97 -2.45 115.31 121.07 2bz2 h LEU 53 Ca -0.04 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 2bz2 h LEU 53 Cb 1.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2bz2 h LEU 53 CO 0.10 0.82 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.84 2bz2 h LEU 54 N 1.05 0.94 -0.99 2.25 3.38 -1.48 -1.01 115.31 119.46 2bz2 h LEU 54 Ca 0.26 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 58.01 2bz2 h LEU 54 Cb 0.09 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 2bz2 h LEU 54 CO -0.04 1.08 0.61 -0.09 0.09 0.00 0.00 178.44 180.09 2bz2 h ARG 55 N 0.80 0.89 0.05 1.13 2.43 -0.81 0.79 114.38 119.66 2bz2 h ARG 55 Ca 0.13 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 2bz2 h ARG 55 Cb 0.65 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2bz2 h ARG 55 CO 0.05 0.59 -1.05 0.78 -1.51 0.00 0.00 179.97 178.82 2bz2 h GLY 56 N 0.91 0.36 1.65 2.80 0.00 -1.18 1.25 103.07 108.86 2bz2 h GLY 56 Ca 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2bz2 h GLY 56 CO -0.30 0.64 -0.00 0.00 0.00 0.00 0.00 176.54 176.88 2bz2 n ALA 57 N -2.52 2.46 -0.45 3.60 0.00 -0.29 -3.49 120.51 119.82 2bz2 n ALA 57 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2bz2 n ALA 57 Cb 0.91 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.33 0.00 0.13 0.00 3.01 0.26 -4.71 117.46 114.82 2bz2 n PHE 58 Ca 0.13 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.47 2bz2 n PHE 58 Cb 0.26 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 2bz2 n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2bz2 h SER 59 N 0.00 -0.33 0.56 4.37 0.87 0.16 -3.11 113.55 116.07 2bz2 h SER 59 Ca 0.00 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2bz2 h SER 59 Cb 0.23 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2bz2 h SER 59 CO 0.00 0.12 -0.19 1.55 -0.53 0.00 0.00 176.83 177.78 2bz2 h PRO 60 N -0.89 0.00 0.00 2.24 0.13 -1.80 -2.32 132.00 129.35 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 0.07 0.19 0.00 0.74 -0.23 0.00 0.00 178.00 178.77 2bz2 h PHE 61 N 0.00 0.00 0.00 1.56 0.04 -1.84 -3.48 116.94 113.22 2bz2 h PHE 61 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2bz2 h PHE 61 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2bz2 h PHE 61 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2bz2 n GLY 62 N 0.29 -1.85 3.77 -1.45 0.00 -0.87 -4.48 105.19 100.60 2bz2 n GLY 62 Ca 0.02 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.01 6.72 -0.29 1.61 0.01 -1.26 -4.27 114.94 116.44 2bz2 s ASN 63 Ca 0.00 0.86 -0.15 0.00 -0.71 0.00 0.00 52.86 52.86 2bz2 s ASN 63 Cb 0.00 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 2bz2 s ASN 63 CO 0.00 0.16 0.36 -0.63 -1.51 0.00 0.00 177.10 175.48 2bz2 s ILE 64 N -0.19 5.18 -0.16 0.60 1.01 -1.26 -2.44 121.20 123.94 2bz2 s ILE 64 Ca 0.24 0.38 0.17 0.00 0.00 0.00 0.00 60.65 61.44 2bz2 s ILE 64 Cb -0.16 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2bz2 s ILE 64 CO 0.11 0.08 1.09 0.16 0.00 0.00 0.00 174.94 176.38 2bz2 h ILE 65 N 5.44 0.52 -1.72 2.92 3.07 -1.72 -3.43 117.51 122.58 2bz2 h ILE 65 Ca -0.31 -1.89 -0.24 0.00 1.55 0.00 0.00 64.86 63.97 2bz2 h ILE 65 Cb 1.16 2.08 -0.28 0.00 -0.27 0.00 0.00 36.82 39.51 2bz2 h ILE 65 CO 0.65 0.30 -0.58 -0.62 -1.05 0.00 0.00 178.15 176.85 2bz2 s ASP 66 N -5.96 0.49 -0.11 2.16 2.15 -1.25 -5.01 116.67 109.13 2bz2 s ASP 66 Ca 0.00 -0.87 -0.18 0.00 0.43 0.00 0.00 52.55 51.93 2bz2 s ASP 66 Cb 0.08 0.99 -0.04 0.00 -0.30 0.00 0.00 42.92 43.65 2bz2 s ASP 66 CO 0.78 -0.30 0.47 -0.22 -0.17 0.00 0.00 175.17 175.74 2bz2 s LEU 67 N 2.06 4.28 0.21 -1.34 0.20 -1.26 -1.06 118.68 121.77 2bz2 s LEU 67 Ca 0.13 0.82 0.11 0.00 0.69 0.00 0.00 54.13 55.87 2bz2 s LEU 67 Cb -0.12 -2.69 -0.05 0.00 -0.43 0.00 0.00 46.19 42.90 2bz2 s LEU 67 CO -0.18 0.01 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.23 2bz2 s SER 68 N 0.57 3.28 -0.06 3.68 0.01 0.33 -4.96 113.70 116.54 2bz2 s SER 68 Ca 0.26 -0.91 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2bz2 s SER 68 Cb -0.15 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.86 2bz2 s SER 68 CO 0.10 0.06 0.18 -0.04 0.41 0.00 0.00 173.24 173.95 2bz2 s MET 69 N -2.95 0.23 -0.30 12.44 -1.94 -1.26 -1.49 119.30 124.04 2bz2 s MET 69 Ca 0.22 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2bz2 s MET 69 Cb -0.06 0.11 0.09 0.00 2.01 0.00 0.00 34.83 36.98 2bz2 s MET 69 CO 0.10 -0.03 0.07 -0.51 -0.01 0.00 0.00 175.02 174.64 2bz2 s ASP 70 N 0.01 4.07 0.28 3.03 1.01 0.71 -4.91 116.67 120.87 2bz2 s ASP 70 Ca -0.01 -1.63 0.14 0.00 0.71 0.00 0.00 52.55 51.76 2bz2 s ASP 70 Cb -0.02 -1.02 0.32 0.00 1.01 0.00 0.00 42.92 43.21 2bz2 s ASP 70 CO 0.00 -0.38 1.57 1.55 0.21 0.00 0.00 175.17 178.12 2bz2 h PRO 71 N 8.00 0.00 0.00 8.23 0.13 -1.94 0.31 132.00 146.72 2bz2 h PRO 71 Ca -0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2bz2 h PRO 71 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2bz2 h PRO 71 CO 0.46 0.58 -0.45 -1.00 -0.23 0.00 0.00 178.00 177.37 2bz2 h PRO 72 N 0.00 0.00 -0.01 1.56 0.13 -1.94 -3.23 132.00 128.51 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bz2 h PRO 72 CO 0.07 0.45 -0.04 0.54 -0.23 0.00 0.00 178.00 178.79 2bz2 n ARG 73 N -3.41 0.65 -3.39 0.86 1.74 -1.23 -4.99 116.66 106.89 2bz2 n ARG 73 Ca 0.01 -0.90 -0.19 0.00 -0.77 0.00 0.00 57.85 55.99 2bz2 n ARG 73 Cb 0.61 -1.13 0.07 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.31 -5.04 -4.01 0.55 3.02 -0.33 -4.98 115.26 104.76 2bz2 n ASN 74 Ca 0.05 -0.47 -0.08 0.00 -0.03 0.00 0.00 54.58 54.05 2bz2 n ASN 74 Cb 0.20 -4.34 -0.10 0.00 -0.61 0.00 0.00 39.78 34.94 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 -3.44 -0.37 -0.24 0.00 0.00 0.37 0.26 121.76 118.33 2bz2 s ALA 76 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2bz2 s ALA 76 Cb 0.04 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.44 2bz2 s ALA 76 CO -0.08 -0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 175.22 2bz2 s PHE 77 N -2.19 2.78 -0.14 0.00 0.40 -0.55 -0.89 117.98 117.38 2bz2 s PHE 77 Ca -0.08 -1.98 -0.07 0.00 -0.60 0.00 0.00 56.93 54.20 2bz2 s PHE 77 Cb -0.03 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2bz2 s PHE 77 CO -0.02 -0.82 0.11 0.54 0.70 0.00 0.00 175.22 175.73 2bz2 s VAL 78 N 1.27 5.25 -0.20 -0.44 0.11 -0.82 0.12 120.40 125.69 2bz2 s VAL 78 Ca -0.06 0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2bz2 s VAL 78 Cb -0.19 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2bz2 s VAL 78 CO -0.06 0.56 0.08 -0.89 -3.33 0.00 0.00 175.10 171.46 2bz2 s THR 79 N -0.56 4.80 -0.02 5.04 2.01 -0.22 0.16 115.64 126.85 2bz2 s THR 79 Ca 0.12 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2bz2 s THR 79 Cb -0.12 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2bz2 s THR 79 CO 0.02 0.43 0.01 -0.31 -0.69 0.00 0.00 174.62 174.08 2bz2 s TYR 80 N 0.62 3.12 0.34 4.92 2.02 -0.72 -1.93 117.35 125.72 2bz2 s TYR 80 Ca 0.04 0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.94 2bz2 s TYR 80 Cb -0.13 -1.71 0.61 0.00 -0.40 0.00 0.00 41.96 40.33 2bz2 s TYR 80 CO 0.01 0.48 1.80 0.93 -1.57 0.00 0.00 175.55 177.20 2bz2 h GLU 81 N 4.49 0.24 -6.47 -0.62 5.08 -1.67 -3.36 114.58 112.27 2bz2 h GLU 81 Ca -0.49 -0.08 -0.70 0.00 -1.00 0.00 0.00 59.36 57.09 2bz2 h GLU 81 Cb 1.18 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.14 2bz2 h GLU 81 CO 0.57 0.50 -0.84 0.15 -1.00 0.00 0.00 179.01 178.40 2bz2 s LYS 82 N -4.42 2.29 0.42 2.33 1.02 -1.26 -4.75 119.74 115.37 2bz2 s LYS 82 Ca -0.05 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.21 2bz2 s LYS 82 Cb 0.14 -2.19 0.89 0.00 -0.52 0.00 0.00 37.83 36.16 2bz2 s LYS 82 CO 0.75 0.58 1.99 0.52 -0.92 0.00 0.00 175.35 178.28 2bz2 h MET 83 N 5.45 0.26 0.00 1.68 2.86 -1.83 -1.14 114.93 122.21 2bz2 h MET 83 Ca -0.44 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 2bz2 h MET 83 Cb 1.14 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 2bz2 h MET 83 CO 0.48 0.30 -0.13 0.93 1.06 0.00 0.00 176.91 179.55 2bz2 h GLU 84 N 0.26 0.00 -0.17 1.72 4.39 -1.97 -1.80 114.58 117.01 2bz2 h GLU 84 Ca 0.06 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 2bz2 h GLU 84 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2bz2 h GLU 84 CO 0.01 0.13 -0.32 0.77 -1.16 0.00 0.00 179.01 178.44 2bz2 h SER 85 N 0.00 0.35 -0.03 1.42 0.02 -1.43 -0.25 113.55 113.63 2bz2 h SER 85 Ca -0.00 -0.13 -0.23 0.00 -0.84 0.00 0.00 61.79 60.60 2bz2 h SER 85 Cb 0.30 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.77 2bz2 h SER 85 CO 0.02 0.65 -0.87 0.00 -1.14 0.00 0.00 176.83 175.49 2bz2 h ALA 86 N 1.37 0.14 -0.43 3.77 0.00 -1.38 -2.50 119.26 120.24 2bz2 h ALA 86 Ca 0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 2bz2 h ALA 86 Cb 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2bz2 h ALA 86 CO 0.05 0.59 -0.23 -0.44 0.00 0.00 0.00 179.25 179.22 2bz2 h ASP 87 N 0.28 0.90 -0.56 0.00 3.32 -1.34 -0.55 116.42 118.47 2bz2 h ASP 87 Ca -0.10 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 2bz2 h ASP 87 Cb 1.53 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2bz2 h ASP 87 CO 0.17 1.09 0.08 -0.61 -1.72 0.00 0.00 179.24 178.26 2bz2 h GLN 88 N 0.76 0.97 -0.10 3.56 5.75 -1.07 -2.13 115.11 122.84 2bz2 h GLN 88 Ca 0.10 -0.25 -0.18 0.00 -0.15 0.00 0.00 58.65 58.17 2bz2 h GLN 88 Cb 0.78 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 2bz2 h GLN 88 CO 0.06 0.90 -0.69 0.00 -2.65 0.00 0.00 178.83 176.45 2bz2 h ALA 89 N 1.18 0.61 0.00 3.38 0.00 -1.24 -2.51 119.26 120.67 2bz2 h ALA 89 Ca 0.18 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2bz2 h ALA 89 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2bz2 h ALA 89 CO 0.01 0.74 -0.20 0.28 0.00 0.00 0.00 179.25 180.08 2bz2 h VAL 90 N 0.32 1.03 0.21 0.00 2.07 -0.74 1.94 116.25 121.09 2bz2 h VAL 90 Ca -0.02 -0.71 -0.32 0.00 0.82 0.00 0.00 66.70 66.47 2bz2 h VAL 90 Cb 1.26 1.39 0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2bz2 h VAL 90 CO 0.12 0.20 -1.41 0.00 0.02 0.00 0.00 177.57 176.50 2bz2 h ALA 91 N 1.80 -0.05 0.00 1.67 0.00 -1.22 -2.82 119.26 118.65 2bz2 h ALA 91 Ca -0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 54.91 53.74 2bz2 h ALA 91 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2bz2 h ALA 91 CO 0.03 0.82 -1.58 0.39 0.00 0.00 0.00 179.25 178.91 2bz2 n GLU 92 N -3.64 0.58 -0.17 0.00 1.02 -0.96 -4.27 120.64 113.19 2bz2 n GLU 92 Ca -0.14 0.50 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 2bz2 n GLU 92 Cb 1.08 -1.69 0.27 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.96 0.79 -9.38 -4.62 3.38 0.29 -3.41 115.31 101.39 2bz2 h LEU 93 Ca -0.43 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 56.96 2bz2 h LEU 93 Cb 1.40 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bz2 h LEU 93 CO -0.25 0.60 0.76 0.21 0.09 0.00 0.00 178.44 179.85 2bz2 s ASN 94 N -6.44 6.93 0.00 -0.43 2.47 -1.06 -3.40 114.94 113.00 2bz2 s ASN 94 Ca -0.10 2.04 0.00 0.00 0.42 0.00 0.00 52.86 55.22 2bz2 s ASN 94 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2bz2 s ASN 94 CO 0.78 -0.65 0.00 0.61 -3.72 0.00 0.00 177.10 174.11 2bz2 n GLY 95 N 3.51 0.71 3.31 1.21 0.00 -1.26 -4.84 105.19 107.84 2bz2 n GLY 95 Ca 0.12 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.43 1.29 0.14 2.61 -4.23 -1.22 -5.08 115.64 106.72 2bz2 s THR 96 Ca 0.00 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.47 2bz2 s THR 96 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2bz2 s THR 96 CO 0.00 -0.54 -0.12 -1.58 -0.54 0.00 0.00 174.62 171.84 2bz2 s GLN 97 N -3.76 1.06 0.00 3.99 0.74 -1.26 -2.97 119.66 117.45 2bz2 s GLN 97 Ca 0.23 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.28 2bz2 s GLN 97 Cb 0.03 -0.77 0.00 0.00 1.10 0.00 0.00 33.01 33.37 2bz2 s GLN 97 CO 0.05 0.12 0.00 0.28 -0.55 0.00 0.00 175.29 175.20 2bz2 n VAL 98 N 0.12 0.00 0.01 1.34 0.31 0.94 -4.91 118.33 116.14 2bz2 n VAL 98 Ca -0.12 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.43 2bz2 n VAL 98 Cb 0.59 -0.49 0.62 0.00 -0.91 0.00 0.00 33.84 33.66 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 -2.04 -3.29 114.58 119.88 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 0.45 -1.00 0.00 0.00 179.01 178.45 2bz2 n SER 100 N -3.44 -0.05 -4.19 1.42 2.88 -1.26 -5.16 113.62 103.82 2bz2 n SER 100 Ca 0.12 -0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 57.04 2bz2 n SER 100 Cb 0.93 0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 64.31 2bz2 n SER 100 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bz2 s VAL 101 N 0.00 0.20 -0.06 2.46 1.01 -1.24 -5.16 120.40 117.61 2bz2 s VAL 101 Ca 0.00 -1.95 0.05 0.00 0.00 0.00 0.00 61.98 60.09 2bz2 s VAL 101 Cb 0.01 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2bz2 s VAL 101 CO -0.00 -0.34 -0.23 -1.10 0.00 0.00 0.00 175.10 173.43 2bz2 s GLN 102 N -4.05 2.62 0.20 2.72 -0.21 -1.26 -0.04 119.66 119.64 2bz2 s GLN 102 Ca 0.28 -0.86 0.07 0.00 0.02 0.00 0.00 55.36 54.88 2bz2 s GLN 102 Cb 0.07 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2bz2 s GLN 102 CO 0.05 0.40 0.04 -1.17 -2.12 0.00 0.00 175.29 172.49 2bz2 s LEU 103 N -0.19 3.40 -0.01 2.90 0.20 -1.16 -4.47 118.68 119.35 2bz2 s LEU 103 Ca -0.02 -0.40 -0.00 0.00 0.69 0.00 0.00 54.13 54.39 2bz2 s LEU 103 Cb -0.14 -2.01 0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2bz2 s LEU 103 CO 0.03 0.05 0.03 -0.54 -0.29 0.00 0.00 176.35 175.63 2bz2 s LYS 104 N -3.22 -0.01 -0.06 1.98 1.02 0.83 -4.24 119.74 116.05 2bz2 s LYS 104 Ca 0.29 0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.43 2bz2 s LYS 104 Cb -0.09 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 2bz2 s LYS 104 CO 0.20 -0.09 -0.13 0.08 -0.92 0.00 0.00 175.35 174.49 2bz2 s VAL 105 N 0.58 3.18 0.27 3.17 1.01 -1.26 0.76 120.40 128.11 2bz2 s VAL 105 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2bz2 s VAL 105 Cb -0.07 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2bz2 s VAL 105 CO -0.02 0.59 0.15 0.20 0.00 0.00 0.00 175.10 176.02 2bz2 s ASN 106 N -0.70 1.08 -0.16 3.32 0.01 0.13 -4.88 114.94 113.74 2bz2 s ASN 106 Ca 0.11 -1.50 -0.02 0.00 -0.71 0.00 0.00 52.86 50.74 2bz2 s ASN 106 Cb -0.11 0.36 -0.02 0.00 0.41 0.00 0.00 41.25 41.89 2bz2 s ASN 106 CO 0.01 -0.86 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.03 2bz2 s ILE 107 N -3.78 3.42 0.00 0.60 1.01 -1.26 -1.20 121.20 120.00 2bz2 s ILE 107 Ca 0.38 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2bz2 s ILE 107 Cb 0.06 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2bz2 s ILE 107 CO 0.16 0.49 -0.05 0.00 0.00 0.00 0.00 174.94 175.55 2bz2 s ALA 108 N 0.56 3.10 0.04 9.38 0.00 -1.26 -4.87 121.76 128.72 2bz2 s ALA 108 Ca -0.05 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 50.97 2bz2 s ALA 108 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2bz2 s ALA 108 CO 0.03 0.63 -0.19 0.50 0.00 0.00 0.00 175.76 176.73 2bz2 s ARG 109 N -1.48 1.24 -0.01 0.00 3.52 -1.26 -4.78 118.95 116.18 2bz2 s ARG 109 Ca 0.18 -0.89 -0.22 0.00 -0.13 0.00 0.00 55.73 54.67 2bz2 s ARG 109 Cb -0.11 -1.32 -0.05 0.00 -1.56 0.00 0.00 34.95 31.90 2bz2 s ARG 109 CO 0.09 0.33 0.67 0.15 -0.81 0.00 0.00 175.30 175.73 2bz2 s LYS 110 N -1.19 4.40 -0.61 5.12 1.02 -1.26 -5.02 119.74 122.20 2bz2 s LYS 110 Ca 0.06 0.86 0.05 0.00 0.02 0.00 0.00 55.97 56.95 2bz2 s LYS 110 Cb -0.09 -3.37 0.17 0.00 -0.52 0.00 0.00 37.83 34.02 2bz2 s LYS 110 CO 0.02 0.27 0.46 0.94 -0.92 0.00 0.00 175.35 176.12 2bz2 n GLN 111 N 3.01 1.34 -2.27 1.68 7.27 -1.26 -4.38 117.38 122.77 2bz2 n GLN 111 Ca -0.04 -4.08 -0.38 0.00 0.07 0.00 0.00 57.00 52.57 2bz2 n GLN 111 Cb 0.51 -2.08 -0.01 0.00 2.41 0.00 0.00 30.24 31.06 2bz2 n GLN 111 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2bz2 s PRO 112 N -1.04 3.89 0.00 3.69 0.04 -1.26 -5.13 135.00 135.19 2bz2 s PRO 112 Ca 0.28 1.80 0.25 0.00 0.04 0.00 0.00 61.00 63.38 2bz2 s PRO 112 Cb -0.01 -2.52 0.51 0.00 0.04 0.00 0.00 34.50 32.52 2bz2 s PRO 112 CO -0.17 -0.45 1.44 -1.33 0.04 0.00 0.00 177.00 176.53