#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 3.57 0.10 0.00 0.04 -1.26 -5.06 135.00 132.40 2bz2 s PRO 36 Ca 0.00 1.66 0.10 0.00 0.04 0.00 0.00 61.00 62.80 2bz2 s PRO 36 Cb 0.00 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2bz2 s PRO 36 CO 0.00 -0.68 -0.24 1.03 0.04 0.00 0.00 177.00 177.15 2bz2 s ARG 37 N -3.01 1.65 0.39 4.56 0.52 -1.26 -5.01 118.95 116.79 2bz2 s ARG 37 Ca 0.68 -1.22 0.09 0.00 -0.52 0.00 0.00 55.73 54.76 2bz2 s ARG 37 Cb -0.25 -2.00 0.87 0.00 0.52 0.00 0.00 34.95 34.08 2bz2 s ARG 37 CO 0.30 0.48 1.97 0.87 0.02 0.00 0.00 175.30 178.94 2bz2 h LYS 38 N 4.12 0.58 0.00 3.54 1.57 -1.98 -3.48 116.57 120.93 2bz2 h LYS 38 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2bz2 h LYS 38 Cb 1.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2bz2 h LYS 38 CO 0.42 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 180.10 2bz2 n GLY 39 N -1.48 -1.78 2.96 3.86 0.00 -1.26 -4.85 105.19 102.64 2bz2 n GLY 39 Ca 0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.00 -0.48 0.25 1.61 2.47 -1.21 -4.82 114.94 108.76 2bz2 s ASN 40 Ca 0.00 -1.31 -0.30 0.00 0.42 0.00 0.00 52.86 51.68 2bz2 s ASN 40 Cb 0.00 1.37 -0.09 0.00 -1.45 0.00 0.00 41.25 41.08 2bz2 s ASN 40 CO 0.00 -0.18 1.22 -0.89 -3.72 0.00 0.00 177.10 173.53 2bz2 s THR 41 N 1.47 3.26 0.23 -5.21 2.01 -1.26 -2.19 115.64 113.95 2bz2 s THR 41 Ca 0.19 1.16 0.10 0.00 0.31 0.00 0.00 61.69 63.45 2bz2 s THR 41 Cb -0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2bz2 s THR 41 CO -0.06 0.23 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.80 2bz2 s LEU 42 N -0.92 2.96 -0.23 4.42 2.96 0.60 -4.24 118.68 124.23 2bz2 s LEU 42 Ca 0.50 -0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2bz2 s LEU 42 Cb -0.35 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 2bz2 s LEU 42 CO 0.42 0.06 0.03 -0.47 -1.32 0.00 0.00 176.35 175.07 2bz2 s TYR 43 N -2.04 3.04 -0.10 5.38 5.04 -0.26 -1.80 117.35 126.62 2bz2 s TYR 43 Ca 0.28 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.38 2bz2 s TYR 43 Cb -0.07 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 2bz2 s TYR 43 CO 0.16 -0.39 -0.21 0.08 -1.34 0.00 0.00 175.55 173.85 2bz2 s VAL 44 N 1.48 2.33 0.06 3.14 1.01 0.05 0.40 120.40 128.86 2bz2 s VAL 44 Ca 0.05 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.15 2bz2 s VAL 44 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2bz2 s VAL 44 CO 0.01 0.56 -0.15 -0.47 0.00 0.00 0.00 175.10 175.05 2bz2 s TYR 45 N 0.20 1.32 0.00 5.22 5.04 0.18 -0.78 117.35 128.52 2bz2 s TYR 45 Ca -0.13 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 2bz2 s TYR 45 Cb -0.16 -0.76 0.00 0.00 0.35 0.00 0.00 41.96 41.39 2bz2 s TYR 45 CO 0.07 0.06 0.00 0.41 -1.34 0.00 0.00 175.55 174.75 2bz2 n GLY 46 N 1.59 -0.93 3.95 8.97 0.00 -1.21 0.12 105.19 117.70 2bz2 n GLY 46 Ca -0.19 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.00 3.44 -1.31 1.61 2.02 -1.26 -4.49 118.70 116.72 2bz2 s GLU 47 Ca 0.00 -0.65 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 2bz2 s GLU 47 Cb 0.00 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2bz2 s GLU 47 CO 0.00 0.47 0.51 -0.25 0.02 0.00 0.00 175.26 176.01 2bz2 n ASP 48 N -0.95 -2.49 -4.76 -0.19 8.00 -1.26 -4.88 116.55 110.03 2bz2 n ASP 48 Ca -0.08 -1.17 -0.39 0.00 0.71 0.00 0.00 54.79 53.86 2bz2 n ASP 48 Cb 0.55 -2.36 -0.06 0.00 -0.02 0.00 0.00 41.12 39.23 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 -6.89 4.81 0.10 -1.24 -1.94 -1.26 -5.06 119.30 107.81 2bz2 s MET 49 Ca 0.28 1.46 0.03 0.00 -1.71 0.00 0.00 55.69 55.75 2bz2 s MET 49 Cb -0.13 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 2bz2 s MET 49 CO 0.93 0.48 -0.08 0.95 -0.01 0.00 0.00 175.02 177.29 2bz2 s THR 50 N -1.26 0.79 -0.03 2.05 -4.23 -1.26 -5.03 115.64 106.68 2bz2 s THR 50 Ca 0.43 -1.75 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 2bz2 s THR 50 Cb -0.25 -1.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.98 2bz2 s THR 50 CO 0.31 -0.70 0.94 1.55 -0.54 0.00 0.00 174.62 176.18 2bz2 h PRO 51 N 3.32 -0.33 -0.76 3.99 0.13 -1.99 -2.33 132.00 134.04 2bz2 h PRO 51 Ca -0.36 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.92 2bz2 h PRO 51 Cb 1.18 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2bz2 h PRO 51 CO 0.58 0.02 0.50 1.15 -0.23 0.00 0.00 178.00 180.02 2bz2 h THR 52 N -0.89 0.85 -0.29 1.56 2.02 -1.98 0.24 112.91 114.43 2bz2 h THR 52 Ca -0.04 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2bz2 h THR 52 Cb 0.51 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2bz2 h THR 52 CO 0.06 0.10 -0.04 0.25 0.37 0.00 0.00 175.52 176.25 2bz2 h LEU 53 N 0.53 0.54 -0.88 2.58 5.85 -1.98 -2.32 115.31 119.63 2bz2 h LEU 53 Ca 0.37 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2bz2 h LEU 53 Cb 0.69 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2bz2 h LEU 53 CO -0.13 0.76 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.41 2bz2 h LEU 54 N 0.31 0.55 -1.40 2.25 3.38 -0.53 -0.59 115.31 119.28 2bz2 h LEU 54 Ca 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2bz2 h LEU 54 Cb 0.51 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2bz2 h LEU 54 CO 0.02 0.79 0.09 0.03 0.09 0.00 0.00 178.44 179.46 2bz2 h ARG 55 N 0.48 0.49 0.12 1.13 3.08 -0.39 0.18 114.38 119.48 2bz2 h ARG 55 Ca 0.07 -0.07 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 2bz2 h ARG 55 Cb 0.69 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2bz2 h ARG 55 CO 0.05 0.45 -1.42 0.78 -1.07 0.00 0.00 179.97 178.76 2bz2 h GLY 56 N 0.71 0.29 1.55 0.04 0.00 -0.99 0.40 103.07 105.07 2bz2 h GLY 56 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2bz2 h GLY 56 CO -0.01 0.65 0.00 0.00 0.00 0.00 0.00 176.54 177.19 2bz2 n ALA 57 N -2.61 2.49 -0.50 3.60 0.00 -0.27 -3.46 120.51 119.76 2bz2 n ALA 57 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2bz2 n ALA 57 Cb 1.04 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.28 0.00 0.10 0.00 3.01 0.61 -4.71 117.46 115.19 2bz2 n PHE 58 Ca 0.15 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.50 2bz2 n PHE 58 Cb 0.24 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.27 0.69 4.37 0.02 -0.21 -3.12 113.55 115.04 2bz2 h SER 59 Ca 0.00 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2bz2 h SER 59 Cb 0.25 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2bz2 h SER 59 CO 0.00 0.23 -0.15 1.55 -1.14 0.00 0.00 176.83 177.33 2bz2 h PRO 60 N -0.90 0.00 0.00 3.45 0.13 -1.81 -2.67 132.00 130.19 2bz2 h PRO 60 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 2bz2 h PRO 60 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2bz2 h PRO 60 CO 0.05 0.15 -0.41 0.74 -0.23 0.00 0.00 178.00 178.30 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 0.41 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 2bz2 n GLY 62 N 0.40 0.02 3.77 -1.45 0.00 -1.01 -4.57 105.19 102.35 2bz2 n GLY 62 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 7.20 -0.24 1.61 0.01 -1.26 -4.31 114.94 117.95 2bz2 s ASN 63 Ca 0.00 1.43 -0.10 0.00 -0.71 0.00 0.00 52.86 53.48 2bz2 s ASN 63 Cb 0.00 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 2bz2 s ASN 63 CO 0.00 0.16 0.15 -0.63 -1.51 0.00 0.00 177.10 175.27 2bz2 s ILE 64 N -0.71 5.32 -0.12 0.60 1.01 -1.26 -1.38 121.20 124.66 2bz2 s ILE 64 Ca 0.34 0.17 0.16 0.00 0.00 0.00 0.00 60.65 61.32 2bz2 s ILE 64 Cb -0.21 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.66 2bz2 s ILE 64 CO 0.22 0.35 0.88 0.16 0.00 0.00 0.00 174.94 176.56 2bz2 h ILE 65 N 5.01 0.55 -1.39 2.92 3.07 -1.84 -3.45 117.51 122.39 2bz2 h ILE 65 Ca -0.38 -2.05 -0.08 0.00 1.55 0.00 0.00 64.86 63.90 2bz2 h ILE 65 Cb 1.17 2.09 -0.25 0.00 -0.27 0.00 0.00 36.82 39.56 2bz2 h ILE 65 CO 0.66 0.32 -0.45 -0.62 -1.05 0.00 0.00 178.15 177.01 2bz2 s ASP 66 N -5.86 -0.57 -0.07 2.16 2.15 -1.26 -5.05 116.67 108.17 2bz2 s ASP 66 Ca -0.02 0.01 -0.19 0.00 0.43 0.00 0.00 52.55 52.77 2bz2 s ASP 66 Cb 0.09 1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 44.22 2bz2 s ASP 66 CO 0.81 -0.32 0.54 -0.22 -0.17 0.00 0.00 175.17 175.80 2bz2 s LEU 67 N 2.68 4.33 0.12 -1.34 1.98 -1.26 -2.45 118.68 122.74 2bz2 s LEU 67 Ca 0.11 0.97 0.11 0.00 -2.89 0.00 0.00 54.13 52.43 2bz2 s LEU 67 Cb -0.12 -2.81 -0.04 0.00 0.66 0.00 0.00 46.19 43.89 2bz2 s LEU 67 CO -0.26 0.03 -0.26 -0.44 -1.89 0.00 0.00 176.35 173.52 2bz2 s SER 68 N 0.33 3.34 0.00 3.68 0.01 0.12 -4.97 113.70 116.22 2bz2 s SER 68 Ca 0.29 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2bz2 s SER 68 Cb -0.16 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 2bz2 s SER 68 CO 0.13 0.19 -0.04 -0.04 0.41 0.00 0.00 173.24 173.90 2bz2 s MET 69 N -1.95 0.29 -0.33 12.44 -1.94 -1.26 -1.41 119.30 125.14 2bz2 s MET 69 Ca 0.14 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 2bz2 s MET 69 Cb -0.10 -0.22 0.10 0.00 2.01 0.00 0.00 34.83 36.62 2bz2 s MET 69 CO 0.06 0.06 0.11 0.34 -0.01 0.00 0.00 175.02 175.57 2bz2 s ASP 70 N -0.36 4.06 0.29 3.03 2.15 0.67 -4.91 116.67 121.60 2bz2 s ASP 70 Ca -0.01 -1.82 0.14 0.00 0.43 0.00 0.00 52.55 51.29 2bz2 s ASP 70 Cb -0.03 -0.97 0.32 0.00 -0.30 0.00 0.00 42.92 41.94 2bz2 s ASP 70 CO -0.00 -0.39 1.56 1.55 -0.17 0.00 0.00 175.17 177.72 2bz2 h PRO 71 N 7.87 0.00 0.00 4.34 0.13 -1.96 0.72 132.00 143.10 2bz2 h PRO 71 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 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 0.48 0.57 -0.33 -1.00 -0.23 0.00 0.00 178.00 177.49 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 0.33 0.00 0.54 -0.23 0.00 0.00 178.00 178.72 2bz2 n ARG 73 N -3.34 -0.16 -3.32 0.86 1.74 -1.23 -4.99 116.66 106.22 2bz2 n ARG 73 Ca 0.01 -0.83 -0.20 0.00 -0.77 0.00 0.00 57.85 56.05 2bz2 n ARG 73 Cb 0.55 -1.09 0.06 0.00 -1.02 0.00 0.00 32.46 30.96 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 0.25 -5.74 -4.14 0.55 3.02 -0.32 -5.00 115.26 103.88 2bz2 n ASN 74 Ca 0.03 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.06 2bz2 n ASN 74 Cb 0.13 -4.40 -0.10 0.00 -0.61 0.00 0.00 39.78 34.80 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 -3.43 -0.61 -0.28 0.00 0.00 0.04 0.24 121.76 117.71 2bz2 s ALA 76 Ca 0.08 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2bz2 s ALA 76 Cb 0.04 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.33 2bz2 s ALA 76 CO -0.05 -0.25 -0.08 -0.06 0.00 0.00 0.00 175.76 175.32 2bz2 s PHE 77 N -1.39 3.37 -0.14 0.00 0.40 -0.50 -0.77 117.98 118.95 2bz2 s PHE 77 Ca -0.14 -2.47 -0.07 0.00 -0.60 0.00 0.00 56.93 53.65 2bz2 s PHE 77 Cb -0.06 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 2bz2 s PHE 77 CO 0.03 -0.89 0.10 0.54 0.70 0.00 0.00 175.22 175.70 2bz2 s VAL 78 N 1.06 5.17 0.00 -0.44 0.11 -0.75 0.16 120.40 125.71 2bz2 s VAL 78 Ca -0.05 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2bz2 s VAL 78 Cb -0.20 -3.28 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2bz2 s VAL 78 CO -0.06 0.55 0.00 -0.89 -3.33 0.00 0.00 175.10 171.37 2bz2 s THR 79 N -0.43 4.15 0.17 5.04 2.01 -1.03 0.22 115.64 125.78 2bz2 s THR 79 Ca 0.11 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.59 2bz2 s THR 79 Cb -0.12 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2bz2 s THR 79 CO 0.02 0.37 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.88 2bz2 s TYR 80 N -1.09 2.57 0.30 4.92 2.02 -0.93 -2.98 117.35 122.16 2bz2 s TYR 80 Ca 0.20 -0.24 0.19 0.00 -0.37 0.00 0.00 57.07 56.84 2bz2 s TYR 80 Cb -0.12 -1.28 0.88 0.00 -0.40 0.00 0.00 41.96 41.04 2bz2 s TYR 80 CO 0.10 0.49 1.84 0.93 -1.57 0.00 0.00 175.55 177.35 2bz2 h GLU 81 N 3.09 0.00 -5.62 -0.62 5.08 -1.59 -3.20 114.58 111.72 2bz2 h GLU 81 Ca -0.47 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.39 2bz2 h GLU 81 Cb 1.20 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.19 2bz2 h GLU 81 CO 0.52 0.31 -0.81 0.15 -1.00 0.00 0.00 179.01 178.18 2bz2 s LYS 82 N -3.94 1.14 0.46 2.33 1.02 -1.26 -4.85 119.74 114.63 2bz2 s LYS 82 Ca -0.02 -0.80 0.21 0.00 0.02 0.00 0.00 55.97 55.38 2bz2 s LYS 82 Cb 0.13 -1.18 1.10 0.00 -0.52 0.00 0.00 37.83 37.35 2bz2 s LYS 82 CO 0.68 0.30 1.96 0.52 -0.92 0.00 0.00 175.35 177.88 2bz2 h MET 83 N 5.00 0.00 0.00 1.68 2.86 -1.88 -1.83 114.93 120.77 2bz2 h MET 83 Ca -0.39 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 2bz2 h MET 83 Cb 1.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 2bz2 h MET 83 CO 0.44 0.22 -0.13 1.49 1.06 0.00 0.00 176.91 179.99 2bz2 h GLU 84 N 0.00 0.00 0.00 1.72 4.81 -1.97 -2.22 114.58 116.92 2bz2 h GLU 84 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2bz2 h GLU 84 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2bz2 h GLU 84 CO 0.03 0.13 -0.53 0.77 -0.73 0.00 0.00 179.01 178.68 2bz2 h SER 85 N 0.00 0.00 0.15 1.04 0.02 -1.57 -2.32 113.55 110.87 2bz2 h SER 85 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2bz2 h SER 85 Cb 0.50 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.06 2bz2 h SER 85 CO 0.02 0.53 -0.88 0.00 -1.14 0.00 0.00 176.83 175.35 2bz2 h ALA 86 N 1.47 -0.10 -0.50 3.77 0.00 -1.48 -2.62 119.26 119.81 2bz2 h ALA 86 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2bz2 h ALA 86 Cb 1.06 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2bz2 h ALA 86 CO 0.07 0.41 0.14 0.22 0.00 0.00 0.00 179.25 180.09 2bz2 h ASP 87 N -0.31 0.69 -0.20 0.00 3.58 -1.50 0.11 116.42 118.79 2bz2 h ASP 87 Ca -0.15 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 2bz2 h ASP 87 Cb 1.69 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 2bz2 h ASP 87 CO 0.17 0.66 -0.26 -0.61 -2.88 0.00 0.00 179.24 176.32 2bz2 h GLN 88 N 0.73 0.53 -0.15 0.28 4.15 -1.49 -1.85 115.11 117.31 2bz2 h GLN 88 Ca 0.17 -0.30 -0.09 0.00 0.77 0.00 0.00 58.65 59.20 2bz2 h GLN 88 Cb 0.23 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2bz2 h GLN 88 CO -0.01 0.89 -0.31 0.00 -1.93 0.00 0.00 178.83 177.48 2bz2 h ALA 89 N 0.63 1.21 0.00 3.38 0.00 -1.16 -2.04 119.26 121.28 2bz2 h ALA 89 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bz2 h ALA 89 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2bz2 h ALA 89 CO 0.06 0.52 -0.49 0.28 0.00 0.00 0.00 179.25 179.63 2bz2 h VAL 90 N 0.25 1.19 0.00 0.00 2.07 -0.67 1.20 116.25 120.30 2bz2 h VAL 90 Ca 0.03 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.68 2bz2 h VAL 90 Cb 0.67 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2bz2 h VAL 90 CO 0.05 0.48 -0.53 0.00 0.02 0.00 0.00 177.57 177.59 2bz2 h ALA 91 N 1.51 0.66 0.00 1.67 0.00 -0.81 -2.85 119.26 119.44 2bz2 h ALA 91 Ca -0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 2bz2 h ALA 91 Cb 0.95 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2bz2 h ALA 91 CO 0.06 0.65 -1.91 -1.91 0.00 0.00 0.00 179.25 176.14 2bz2 n GLU 92 N -3.22 0.47 0.22 0.00 2.13 -0.81 -4.48 120.64 114.94 2bz2 n GLU 92 Ca 0.02 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.11 2bz2 n GLU 92 Cb 0.74 -1.29 0.60 0.00 0.27 0.00 0.00 31.44 31.76 2bz2 n GLU 92 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2bz2 h LEU 93 N -0.81 0.07 -9.58 4.31 3.38 0.13 -3.42 115.31 109.39 2bz2 h LEU 93 Ca -0.43 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 2bz2 h LEU 93 Cb 1.33 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.08 2bz2 h LEU 93 CO -0.26 0.06 0.60 0.21 0.09 0.00 0.00 178.44 179.13 2bz2 s ASN 94 N -7.01 7.01 0.00 -0.43 3.84 -1.08 -3.38 114.94 113.89 2bz2 s ASN 94 Ca -0.05 2.20 0.00 0.00 0.21 0.00 0.00 52.86 55.21 2bz2 s ASN 94 Cb 0.17 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2bz2 s ASN 94 CO 0.68 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 175.12 2bz2 n GLY 95 N 2.81 0.78 3.47 1.21 0.00 -1.26 -4.89 105.19 107.32 2bz2 n GLY 95 Ca 0.07 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.94 2.14 0.19 2.61 -4.23 -1.22 -5.08 115.64 107.12 2bz2 s THR 96 Ca 0.00 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.27 2bz2 s THR 96 Cb 0.00 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 2bz2 s THR 96 CO 0.00 -0.34 0.02 -1.58 -0.54 0.00 0.00 174.62 172.18 2bz2 s GLN 97 N -3.60 1.17 0.00 3.99 0.74 -1.26 -3.12 119.66 117.58 2bz2 s GLN 97 Ca 0.30 -1.58 0.00 0.00 0.05 0.00 0.00 55.36 54.13 2bz2 s GLN 97 Cb -0.00 -0.27 0.00 0.00 1.10 0.00 0.00 33.01 33.84 2bz2 s GLN 97 CO 0.14 -0.16 0.00 0.28 -0.55 0.00 0.00 175.29 174.99 2bz2 n VAL 98 N -0.29 0.00 0.19 1.34 0.31 0.49 -4.92 118.33 115.45 2bz2 n VAL 98 Ca -0.05 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.45 2bz2 n VAL 98 Cb 0.64 0.00 0.66 0.00 -0.91 0.00 0.00 33.84 34.23 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 4.39 -2.04 -3.30 114.58 119.18 2bz2 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bz2 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2bz2 h GLU 99 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 2bz2 n SER 100 N -3.17 0.00 -4.19 1.42 3.41 -1.26 -5.16 113.62 104.67 2bz2 n SER 100 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2bz2 n SER 100 Cb 0.66 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.23 -0.07 -3.33 1.01 -1.25 -5.11 120.40 111.88 2bz2 s VAL 101 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 61.98 60.06 2bz2 s VAL 101 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2bz2 s VAL 101 CO 0.00 -0.35 -0.14 -1.10 0.00 0.00 0.00 175.10 173.50 2bz2 s GLN 102 N -4.04 1.95 0.20 2.72 -0.21 -1.26 -0.38 119.66 118.64 2bz2 s GLN 102 Ca 0.28 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.15 2bz2 s GLN 102 Cb 0.07 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 2bz2 s GLN 102 CO 0.05 0.06 0.38 -1.17 -2.12 0.00 0.00 175.29 172.49 2bz2 s LEU 103 N 0.59 4.23 0.00 2.90 0.20 -1.18 -4.24 118.68 121.18 2bz2 s LEU 103 Ca -0.15 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.04 2bz2 s LEU 103 Cb -0.16 -3.13 -0.01 0.00 -0.43 0.00 0.00 46.19 42.47 2bz2 s LEU 103 CO 0.05 -0.05 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.48 2bz2 s LYS 104 N -3.40 0.36 -0.04 1.98 1.02 0.33 -4.41 119.74 115.58 2bz2 s LYS 104 Ca 0.38 -0.21 0.07 0.00 0.02 0.00 0.00 55.97 56.23 2bz2 s LYS 104 Cb -0.11 -0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 2bz2 s LYS 104 CO 0.29 0.09 -0.25 0.08 -0.92 0.00 0.00 175.35 174.64 2bz2 s VAL 105 N -0.22 2.04 0.25 3.17 1.01 -1.26 0.47 120.40 125.86 2bz2 s VAL 105 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2bz2 s VAL 105 Cb -0.02 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2bz2 s VAL 105 CO -0.00 0.57 0.14 0.20 0.00 0.00 0.00 175.10 176.01 2bz2 s ASN 106 N -0.31 0.92 -0.13 3.32 0.02 0.16 -4.98 114.94 113.94 2bz2 s ASN 106 Ca 0.01 -1.46 -0.03 0.00 -1.02 0.00 0.00 52.86 50.36 2bz2 s ASN 106 Cb -0.12 0.33 -0.03 0.00 0.02 0.00 0.00 41.25 41.45 2bz2 s ASN 106 CO 0.02 -0.84 -0.03 -0.63 0.02 0.00 0.00 177.10 175.65 2bz2 s ILE 107 N -3.85 4.02 0.29 0.60 1.01 -1.26 -1.10 121.20 120.91 2bz2 s ILE 107 Ca 0.38 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2bz2 s ILE 107 Cb 0.06 -2.74 0.10 0.00 0.01 0.00 0.00 42.46 39.90 2bz2 s ILE 107 CO 0.15 0.53 1.77 0.00 0.00 0.00 0.00 174.94 177.39 2bz2 h ALA 108 N 6.19 1.17 -2.69 9.38 0.00 -1.90 -3.42 119.26 127.99 2bz2 h ALA 108 Ca -0.38 -0.28 -0.67 0.00 0.00 0.00 0.00 54.91 53.58 2bz2 h ALA 108 Cb 1.19 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2bz2 h ALA 108 CO 0.60 0.53 -0.49 0.50 0.00 0.00 0.00 179.25 180.39 2bz2 s ARG 109 N -4.77 3.42 0.28 0.00 3.52 -1.26 -4.99 118.95 115.16 2bz2 s ARG 109 Ca -0.08 -0.16 -0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2bz2 s ARG 109 Cb 0.14 -3.16 0.41 0.00 -1.56 0.00 0.00 34.95 30.78 2bz2 s ARG 109 CO 0.79 0.76 1.80 0.87 -0.81 0.00 0.00 175.30 178.72 2bz2 h LYS 110 N 4.85 0.75 -2.10 5.12 1.57 -2.04 -3.41 116.57 121.30 2bz2 h LYS 110 Ca -0.54 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 57.95 2bz2 h LYS 110 Cb 1.22 -0.10 -0.28 0.00 0.08 0.00 0.00 32.23 33.15 2bz2 h LYS 110 CO 0.59 0.73 -0.42 -1.14 -0.57 0.00 0.00 179.45 178.64 2bz2 s GLN 111 N -5.05 0.35 0.45 3.15 0.74 -1.26 -5.10 119.66 112.93 2bz2 s GLN 111 Ca -0.09 0.76 -0.23 0.00 0.05 0.00 0.00 55.36 55.85 2bz2 s GLN 111 Cb 0.15 -0.10 -0.08 0.00 1.10 0.00 0.00 33.01 34.09 2bz2 s GLN 111 CO 0.80 -0.48 1.16 -1.25 -0.55 0.00 0.00 175.29 174.96 2bz2 s PRO 112 N 2.59 3.82 0.00 1.67 0.04 -1.26 -5.22 135.00 136.64 2bz2 s PRO 112 Ca 0.07 1.76 0.11 0.00 0.04 0.00 0.00 61.00 62.99 2bz2 s PRO 112 Cb -0.14 -2.45 0.09 0.00 0.04 0.00 0.00 34.50 32.04 2bz2 s PRO 112 CO -0.15 -0.50 0.86 -1.33 0.04 0.00 0.00 177.00 175.92