#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzd s PRO 2 N 0.00 3.51 -0.02 1.61 0.04 -1.26 -4.99 135.00 133.89 1bzd s PRO 2 Ca 0.00 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 1bzd s PRO 2 Cb 0.00 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.50 1bzd s PRO 2 CO 0.00 -1.65 0.24 0.99 0.04 0.00 0.00 177.00 176.62 1bzd s THR 3 N 5.67 0.06 0.00 1.26 2.01 -1.17 -0.97 115.64 122.50 1bzd s THR 3 Ca 0.62 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1bzd s THR 3 Cb -0.14 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1bzd s THR 3 CO 0.32 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1bzd n GLY 4 N 1.60 1.33 3.56 4.40 0.00 0.18 -4.81 105.19 111.45 1bzd n GLY 4 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1bzd n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bzd s THR 5 N 2.77 3.56 0.18 2.61 2.01 0.15 -4.60 115.64 122.33 1bzd s THR 5 Ca 0.00 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1bzd s THR 5 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1bzd s THR 5 CO 0.00 -1.21 0.00 -1.20 -0.69 0.00 0.00 174.62 171.52 1bzd n SER 6 N 12.50 -9.23 -4.64 3.53 7.64 -1.25 -3.06 113.62 119.11 1bzd n SER 6 Ca 0.35 1.51 -0.43 0.00 1.01 0.00 0.00 58.87 61.31 1bzd n SER 6 Cb 0.48 -5.22 -0.02 0.00 -1.01 0.00 0.00 64.21 58.45 1bzd n SER 6 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1bzd s GLU 7 N -0.54 3.97 0.00 1.43 -6.30 -1.25 -4.01 118.70 111.99 1bzd s GLU 7 Ca 0.00 1.46 0.00 0.00 -2.50 0.00 0.00 54.97 53.93 1bzd s GLU 7 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.24 1bzd s GLU 7 CO 0.00 -1.05 0.00 0.45 0.02 0.00 0.00 175.26 174.68 1bzd n SER 8 N 7.55 0.23 -3.29 -1.70 2.88 -1.26 -5.00 113.62 113.03 1bzd n SER 8 Ca 0.15 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.38 1bzd n SER 8 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 1bzd n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1bzd n LYS 9 N 0.00 2.71 0.00 -1.46 3.00 -1.26 -4.77 118.16 116.38 1bzd n LYS 9 Ca 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 58.31 56.48 1bzd n LYS 9 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.36 1bzd n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bzd n PRO 11 N 0.00 1.28 -3.71 0.00 -0.04 -1.26 -4.72 135.00 126.55 1bzd n PRO 11 Ca 0.00 -0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 62.79 1bzd n PRO 11 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 1bzd n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bzd s LEU 12 N -2.10 0.16 -0.02 1.53 2.96 -1.25 -1.39 118.68 118.57 1bzd s LEU 12 Ca 0.39 0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 55.01 1bzd s LEU 12 Cb 0.21 1.21 0.01 0.00 0.50 0.00 0.00 46.19 48.11 1bzd s LEU 12 CO 0.38 -0.17 0.17 -0.32 -1.32 0.00 0.00 176.35 175.08 1bzd s MET 13 N 1.11 0.43 -0.08 1.98 1.75 0.52 -4.48 119.30 120.54 1bzd s MET 13 Ca -0.07 -0.21 0.05 0.00 -1.25 0.00 0.00 55.69 54.20 1bzd s MET 13 Cb -0.08 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.77 1bzd s MET 13 CO -0.09 -0.10 -0.23 0.08 -0.65 0.00 0.00 175.02 174.03 1bzd s VAL 14 N -1.00 2.17 -0.12 10.11 1.01 -0.96 -0.76 120.40 130.86 1bzd s VAL 14 Ca -0.11 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1bzd s VAL 14 Cb -0.06 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1bzd s VAL 14 CO 0.01 0.56 -0.16 -0.75 0.00 0.00 0.00 175.10 174.77 1bzd s LYS 15 N 0.04 2.32 -0.10 2.72 2.36 -0.27 -0.95 119.74 125.86 1bzd s LYS 15 Ca -0.09 -0.59 0.02 0.00 -2.55 0.00 0.00 55.97 52.75 1bzd s LYS 15 Cb -0.15 -1.99 0.01 0.00 -1.05 0.00 0.00 37.83 34.65 1bzd s LYS 15 CO 0.06 -0.09 -0.14 0.08 1.55 0.00 0.00 175.35 176.80 1bzd s VAL 16 N 1.06 1.40 0.07 4.02 1.01 -0.46 -0.97 120.40 126.54 1bzd s VAL 16 Ca -0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1bzd s VAL 16 Cb -0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1bzd s VAL 16 CO -0.03 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.50 1bzd s LEU 17 N 0.91 2.23 -0.33 3.92 1.43 0.22 0.12 118.68 127.17 1bzd s LEU 17 Ca -0.09 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1bzd s LEU 17 Cb -0.15 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1bzd s LEU 17 CO 0.00 0.14 0.32 -0.62 0.23 0.00 0.00 176.35 176.42 1bzd s ASP 18 N -1.54 6.14 0.00 2.29 -1.08 0.72 -0.41 116.67 122.80 1bzd s ASP 18 Ca 0.08 -0.24 0.28 0.00 -0.52 0.00 0.00 52.55 52.16 1bzd s ASP 18 Cb -0.09 -2.18 1.13 0.00 -1.46 0.00 0.00 42.92 40.32 1bzd s ASP 18 CO 0.03 -0.29 1.81 0.00 0.52 0.00 0.00 175.17 177.25 1bzd n ALA 19 N 5.29 2.78 0.01 3.66 0.00 -0.13 -1.56 120.51 130.56 1bzd n ALA 19 Ca -0.10 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 1bzd n ALA 19 Cb 0.50 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 1bzd n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bzd h VAL 20 N 0.34 0.73 -0.00 0.00 2.07 -1.94 -3.40 116.25 114.04 1bzd h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1bzd h VAL 20 Cb 0.41 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1bzd h VAL 20 CO 0.00 0.79 -0.65 0.54 0.02 0.00 0.00 177.57 178.27 1bzd n ARG 21 N -3.37 2.24 -3.06 1.57 1.74 -1.24 -5.00 116.66 109.53 1bzd n ARG 21 Ca -0.27 -0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 56.63 1bzd n ARG 21 Cb 1.05 -1.18 0.04 0.00 -1.02 0.00 0.00 32.46 31.35 1bzd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bzd n GLY 22 N 1.32 0.15 3.22 -0.13 0.00 -0.60 -5.03 105.19 104.12 1bzd n GLY 22 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1bzd n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bzd s SER 23 N -3.21 0.21 0.53 1.61 1.04 -1.07 -5.02 113.70 107.80 1bzd s SER 23 Ca 0.29 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.44 1bzd s SER 23 Cb -0.13 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1bzd s SER 23 CO 0.39 -0.79 1.07 -2.16 0.98 0.00 0.00 173.24 172.73 1bzd s PRO 24 N -4.02 3.52 -0.45 4.02 0.04 -1.26 -0.20 135.00 136.65 1bzd s PRO 24 Ca 0.22 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1bzd s PRO 24 Cb 0.06 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1bzd s PRO 24 CO 0.01 -0.67 0.96 0.00 0.04 0.00 0.00 177.00 177.34 1bzd s ALA 25 N -2.01 3.25 0.17 8.56 0.00 0.12 -4.60 121.76 127.25 1bzd s ALA 25 Ca 0.68 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1bzd s ALA 25 Cb -0.19 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 1bzd s ALA 25 CO 0.26 -2.03 0.54 0.42 0.00 0.00 0.00 175.76 174.96 1bzd s ILE 26 N 3.83 4.88 -1.50 0.00 1.01 -1.26 -4.33 121.20 123.83 1bzd s ILE 26 Ca 0.39 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 61.70 1bzd s ILE 26 Cb -0.10 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1bzd s ILE 26 CO 0.26 0.16 0.79 0.59 0.00 0.00 0.00 174.94 176.74 1bzd n ASN 27 N 0.54 -6.24 -4.76 3.58 4.13 -0.41 -4.92 115.26 107.18 1bzd n ASN 27 Ca -0.04 -0.37 -0.38 0.00 1.68 0.00 0.00 54.58 55.47 1bzd n ASN 27 Cb 0.52 -4.99 -0.06 0.00 -1.54 0.00 0.00 39.78 33.71 1bzd n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1bzd s VAL 28 N -3.23 5.01 0.06 2.41 1.01 -1.26 -4.72 120.40 119.69 1bzd s VAL 28 Ca 0.39 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 63.19 1bzd s VAL 28 Cb -0.17 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1bzd s VAL 28 CO 0.49 0.41 0.90 0.00 0.00 0.00 0.00 175.10 176.90 1bzd s ALA 29 N -0.06 3.27 -0.06 5.51 0.00 -1.26 -0.62 121.76 128.54 1bzd s ALA 29 Ca 0.29 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1bzd s ALA 29 Cb -0.17 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1bzd s ALA 29 CO 0.15 -0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.82 1bzd s VAL 30 N 0.21 1.14 -0.11 0.00 1.01 0.31 -1.22 120.40 121.73 1bzd s VAL 30 Ca 0.45 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1bzd s VAL 30 Cb -0.22 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1bzd s VAL 30 CO 0.27 0.35 -0.19 -1.00 0.00 0.00 0.00 175.10 174.53 1bzd s HIS 31 N 0.62 2.31 -0.05 5.22 3.76 -0.19 -1.29 115.29 125.68 1bzd s HIS 31 Ca -0.14 -1.07 -0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1bzd s HIS 31 Cb -0.15 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1bzd s HIS 31 CO 0.04 -0.49 0.02 0.08 -0.85 0.00 0.00 174.74 173.53 1bzd s VAL 32 N 0.74 4.36 0.07 -0.90 1.01 0.85 -0.92 120.40 125.61 1bzd s VAL 32 Ca -0.11 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1bzd s VAL 32 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1bzd s VAL 32 CO 0.01 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 1bzd s PHE 33 N -1.01 0.87 0.05 5.22 0.08 0.18 -1.50 117.98 121.88 1bzd s PHE 33 Ca 0.17 -0.62 0.09 0.00 0.12 0.00 0.00 56.93 56.69 1bzd s PHE 33 Cb -0.11 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 41.80 1bzd s PHE 33 CO 0.07 -0.06 -0.24 0.50 -0.10 0.00 0.00 175.22 175.38 1bzd s ARG 34 N -2.37 1.82 -0.16 0.44 3.52 -0.71 -0.73 118.95 120.76 1bzd s ARG 34 Ca -0.01 -1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 54.20 1bzd s ARG 34 Cb -0.05 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 1bzd s ARG 34 CO -0.01 0.51 0.95 0.21 -0.81 0.00 0.00 175.30 176.16 1bzd s LYS 35 N -1.39 4.34 0.56 5.12 2.20 -0.13 -1.28 119.74 129.15 1bzd s LYS 35 Ca 0.13 1.25 -0.05 0.00 -0.36 0.00 0.00 55.97 56.94 1bzd s LYS 35 Cb -0.10 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1bzd s LYS 35 CO 0.03 -0.40 0.85 0.00 -0.36 0.00 0.00 175.35 175.47 1bzd s ALA 36 N 2.36 3.40 0.52 3.13 0.00 0.08 -4.75 121.76 126.50 1bzd s ALA 36 Ca 0.44 -0.76 0.18 0.00 0.00 0.00 0.00 51.96 51.81 1bzd s ALA 36 Cb -0.17 -2.51 1.28 0.00 0.00 0.00 0.00 23.12 21.72 1bzd s ALA 36 CO 0.13 -0.69 2.12 0.00 0.00 0.00 0.00 175.76 177.32 1bzd h ALA 37 N -0.03 2.09 0.00 0.00 0.00 -1.96 1.00 119.26 120.36 1bzd h ALA 37 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bzd h ALA 37 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bzd h ALA 37 CO 0.60 -0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 1bzd n ASP 38 N -4.51 0.00 -2.94 0.00 5.68 -1.26 -4.85 116.55 108.67 1bzd n ASP 38 Ca -0.00 -0.74 -0.20 0.00 -0.50 0.00 0.00 54.79 53.35 1bzd n ASP 38 Cb 0.19 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.23 1bzd n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bzd n ASP 39 N -0.98 -5.73 -4.66 -1.12 9.92 0.34 -5.03 116.55 109.30 1bzd n ASP 39 Ca 0.16 -0.36 -0.24 0.00 -0.53 0.00 0.00 54.79 53.81 1bzd n ASP 39 Cb 0.07 -4.45 -0.08 0.00 -0.64 0.00 0.00 41.12 36.03 1bzd n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1bzd s THR 40 N -3.19 2.65 -0.47 -3.53 -4.23 -1.24 -4.85 115.64 100.77 1bzd s THR 40 Ca 0.39 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.82 1bzd s THR 40 Cb -0.17 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 70.85 1bzd s THR 40 CO 0.49 -0.17 0.57 0.26 -0.54 0.00 0.00 174.62 175.23 1bzd s TRP 41 N -2.51 3.09 -0.12 3.99 0.52 -1.26 -0.74 118.94 121.90 1bzd s TRP 41 Ca 0.36 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 1bzd s TRP 41 Cb 0.00 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 1bzd s TRP 41 CO 0.20 -0.91 0.19 -1.83 0.02 0.00 0.00 176.95 174.63 1bzd s GLU 42 N 2.51 3.73 0.51 4.98 -1.05 -0.41 -4.88 118.70 124.10 1bzd s GLU 42 Ca 0.16 -0.04 -0.20 0.00 -0.15 0.00 0.00 54.97 54.74 1bzd s GLU 42 Cb -0.18 -3.26 -0.10 0.00 -0.44 0.00 0.00 34.13 30.15 1bzd s GLU 42 CO 0.14 0.62 0.49 -2.30 0.95 0.00 0.00 175.26 175.16 1bzd n PRO 43 N 2.40 0.52 0.10 -4.83 -0.02 -1.26 -1.73 135.00 130.18 1bzd n PRO 43 Ca -0.18 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1bzd n PRO 43 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1bzd n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bzd n PHE 44 N -1.38 -1.69 -3.70 6.00 7.35 -0.56 -4.71 117.46 118.76 1bzd n PHE 44 Ca 0.11 0.30 -0.10 0.00 -0.76 0.00 0.00 57.45 57.00 1bzd n PHE 44 Cb 0.45 0.47 -0.04 0.00 0.35 0.00 0.00 39.48 40.71 1bzd n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bzd s ALA 45 N -2.00 -0.92 0.17 3.13 0.00 -1.15 -4.79 121.76 116.20 1bzd s ALA 45 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.55 1bzd s ALA 45 Cb 0.00 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.99 1bzd s ALA 45 CO 0.00 -0.74 0.90 -1.54 0.00 0.00 0.00 175.76 174.38 1bzd s SER 46 N -2.85 -0.22 0.00 0.00 1.04 -1.26 -0.10 113.70 110.31 1bzd s SER 46 Ca 0.07 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1bzd s SER 46 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1bzd s SER 46 CO -0.06 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1bzd n GLY 47 N -0.45 -1.55 3.36 7.32 0.00 -0.41 -4.22 105.19 109.24 1bzd n GLY 47 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1bzd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bzd s LYS 48 N -1.45 2.59 0.66 1.61 -0.14 -1.25 -0.53 119.74 121.21 1bzd s LYS 48 Ca 0.00 -0.80 -0.17 0.00 -1.36 0.00 0.00 55.97 53.63 1bzd s LYS 48 Cb 0.00 -2.29 -0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1bzd s LYS 48 CO 0.00 0.47 1.24 0.95 -0.76 0.00 0.00 175.35 177.25 1bzd s THR 49 N -0.36 2.33 0.00 2.17 -4.23 0.21 -4.68 115.64 111.08 1bzd s THR 49 Ca 0.03 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1bzd s THR 49 Cb -0.12 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1bzd s THR 49 CO 0.02 -0.06 0.00 -1.54 -0.54 0.00 0.00 174.62 172.50 1bzd n SER 50 N -2.07 0.00 -0.24 3.99 3.41 0.63 -1.29 113.62 118.05 1bzd n SER 50 Ca 0.14 -0.45 -0.01 0.00 -0.26 0.00 0.00 58.87 58.30 1bzd n SER 50 Cb 0.49 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.65 1bzd n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bzd h GLU 51 N 0.00 1.05 -0.09 4.33 4.39 -1.93 0.38 114.58 122.71 1bzd h GLU 51 Ca 0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1bzd h GLU 51 Cb 0.00 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1bzd h GLU 51 CO 0.00 0.72 0.00 -1.13 -1.16 0.00 0.00 179.01 177.44 1bzd n SER 52 N -4.39 1.19 -0.25 1.42 3.41 -1.26 -4.79 113.62 108.94 1bzd n SER 52 Ca 0.08 -1.55 -0.03 0.00 -0.26 0.00 0.00 58.87 57.11 1bzd n SER 52 Cb 0.05 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1bzd n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bzd n GLY 53 N 1.07 0.50 3.73 5.00 0.00 0.12 -4.75 105.19 110.86 1bzd n GLY 53 Ca 0.17 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1bzd n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bzd s GLU 54 N -2.78 2.41 -0.12 1.61 2.02 -1.26 -1.35 118.70 119.23 1bzd s GLU 54 Ca 0.00 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 1bzd s GLU 54 Cb 0.00 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 32.07 1bzd s GLU 54 CO 0.00 0.18 0.10 -1.17 0.02 0.00 0.00 175.26 174.39 1bzd s LEU 55 N -3.82 0.18 0.41 1.80 0.20 -0.13 -0.27 118.68 117.06 1bzd s LEU 55 Ca 0.36 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 55.00 1bzd s LEU 55 Cb -0.04 -0.09 -0.07 0.00 -0.43 0.00 0.00 46.19 45.57 1bzd s LEU 55 CO 0.22 -0.30 0.02 -1.00 -0.29 0.00 0.00 176.35 175.00 1bzd s HIS 56 N 2.19 2.34 -1.44 5.38 3.76 -0.14 -2.26 115.29 125.11 1bzd s HIS 56 Ca 0.04 -0.76 -0.08 0.00 -0.15 0.00 0.00 55.06 54.10 1bzd s HIS 56 Cb -0.14 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1bzd s HIS 56 CO -0.07 0.34 0.96 0.41 -0.85 0.00 0.00 174.74 175.53 1bzd n GLY 57 N -0.97 -0.54 0.17 -2.22 0.00 -1.26 -3.06 105.19 97.31 1bzd n GLY 57 Ca -0.07 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1bzd n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bzd h LEU 58 N -2.17 0.68 0.00 0.99 3.38 -1.78 0.52 115.31 116.92 1bzd h LEU 58 Ca -0.55 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 56.66 1bzd h LEU 58 Cb 1.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1bzd h LEU 58 CO 0.57 1.25 -0.07 1.07 0.09 0.00 0.00 178.44 181.35 1bzd n THR 59 N -4.15 0.00 -4.31 0.22 5.66 -1.17 0.32 114.28 110.84 1bzd n THR 59 Ca -0.09 -0.49 -0.18 0.00 -3.05 0.00 0.00 64.05 60.25 1bzd n THR 59 Cb 0.66 0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 1bzd n THR 59 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1bzd s THR 60 N -2.43 1.60 0.20 1.09 2.01 -1.26 -3.98 115.64 112.88 1bzd s THR 60 Ca 0.08 -2.07 -0.06 0.00 0.31 0.00 0.00 61.69 59.96 1bzd s THR 60 Cb 0.00 -1.90 0.04 0.00 0.01 0.00 0.00 72.50 70.65 1bzd s THR 60 CO 0.06 -0.55 1.63 -0.08 -0.69 0.00 0.00 174.62 174.98 1bzd h GLU 61 N 2.85 0.85 -0.76 4.92 4.81 -1.90 0.21 114.58 125.55 1bzd h GLU 61 Ca -0.39 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.47 1bzd h GLU 61 Cb 1.21 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1bzd h GLU 61 CO 0.59 0.96 0.31 0.93 -0.73 0.00 0.00 179.01 181.07 1bzd h GLU 62 N 0.75 1.13 0.00 1.92 3.07 -2.00 -2.99 114.58 116.46 1bzd h GLU 62 Ca 0.11 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1bzd h GLU 62 Cb 0.70 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1bzd h GLU 62 CO 0.05 0.92 -0.58 -0.85 -1.40 0.00 0.00 179.01 177.15 1bzd n GLU 63 N -4.33 0.25 -2.95 2.33 0.28 -1.13 -4.54 120.64 110.56 1bzd n GLU 63 Ca 0.06 0.08 -0.44 0.00 -0.16 0.00 0.00 57.16 56.70 1bzd n GLU 63 Cb 0.18 -1.67 -0.00 0.00 1.43 0.00 0.00 31.44 31.38 1bzd n GLU 63 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1bzd s PHE 64 N -3.14 3.49 0.59 -1.84 5.36 0.71 -4.91 117.98 118.24 1bzd s PHE 64 Ca 0.07 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.94 1bzd s PHE 64 Cb 0.14 -4.30 0.05 0.00 -0.34 0.00 0.00 43.02 38.57 1bzd s PHE 64 CO 0.71 -1.39 0.84 0.14 -1.46 0.00 0.00 175.22 174.05 1bzd s VAL 65 N 1.60 2.53 0.68 3.12 -7.23 -1.26 -4.90 120.40 114.94 1bzd s VAL 65 Ca 0.42 -0.61 -0.17 0.00 -1.81 0.00 0.00 61.98 59.81 1bzd s VAL 65 Cb -0.03 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1bzd s VAL 65 CO -0.01 0.00 0.89 -0.62 -0.31 0.00 0.00 175.10 175.05 1bzd n GLU 66 N -2.48 0.60 0.00 4.82 1.02 -1.26 -4.91 120.64 118.43 1bzd n GLU 66 Ca 0.09 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1bzd n GLU 66 Cb 0.60 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1bzd n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bzd n GLY 67 N 1.27 -0.35 3.60 0.62 0.00 -1.08 -4.96 105.19 104.29 1bzd n GLY 67 Ca 0.13 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1bzd n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bzd s ILE 68 N -1.72 5.05 0.11 -0.61 1.01 -1.26 -0.94 121.20 122.85 1bzd s ILE 68 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1bzd s ILE 68 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1bzd s ILE 68 CO 0.00 0.35 -0.20 -0.31 0.00 0.00 0.00 174.94 174.78 1bzd s TYR 69 N 1.16 2.49 -0.11 3.97 1.51 -0.15 -0.95 117.35 125.26 1bzd s TYR 69 Ca 0.06 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1bzd s TYR 69 Cb -0.14 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1bzd s TYR 69 CO 0.05 0.37 -0.12 0.21 -1.11 0.00 0.00 175.55 174.94 1bzd s LYS 70 N -2.08 1.96 -0.20 -0.62 2.20 0.09 -1.53 119.74 119.57 1bzd s LYS 70 Ca 0.17 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1bzd s LYS 70 Cb -0.10 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 1bzd s LYS 70 CO 0.09 -0.15 0.02 0.08 -0.36 0.00 0.00 175.35 175.03 1bzd s VAL 71 N 1.28 4.19 -0.17 4.02 1.01 -0.08 -0.64 120.40 130.01 1bzd s VAL 71 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1bzd s VAL 71 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1bzd s VAL 71 CO -0.05 0.43 -0.19 -0.70 0.00 0.00 0.00 175.10 174.59 1bzd s GLU 72 N 0.89 3.05 -0.20 2.72 2.12 -0.09 -0.40 118.70 126.78 1bzd s GLU 72 Ca 0.02 -0.81 -0.05 0.00 0.36 0.00 0.00 54.97 54.49 1bzd s GLU 72 Cb -0.14 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1bzd s GLU 72 CO 0.02 -0.15 -0.01 0.42 -0.54 0.00 0.00 175.26 175.00 1bzd s ILE 73 N 1.16 3.81 -1.23 -3.70 1.01 0.18 -1.02 121.20 121.41 1bzd s ILE 73 Ca 0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 1bzd s ILE 73 Cb -0.14 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1bzd s ILE 73 CO -0.09 0.43 1.81 -0.62 0.00 0.00 0.00 174.94 176.47 1bzd s ASP 74 N 1.10 6.03 0.10 3.58 2.15 -0.35 -1.54 116.67 127.74 1bzd s ASP 74 Ca 0.02 -2.02 -0.12 0.00 0.43 0.00 0.00 52.55 50.86 1bzd s ASP 74 Cb -0.14 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.73 1bzd s ASP 74 CO 0.01 -2.01 1.27 0.71 -0.17 0.00 0.00 175.17 174.98 1bzd h THR 75 N 5.94 1.29 -0.72 1.71 1.35 -1.88 -3.27 112.91 117.33 1bzd h THR 75 Ca 0.33 -2.10 0.11 0.00 -0.55 0.00 0.00 66.41 64.20 1bzd h THR 75 Cb 0.91 2.15 -0.08 0.00 -1.73 0.00 0.00 68.15 69.40 1bzd h THR 75 CO 1.35 0.66 0.33 0.50 -0.25 0.00 0.00 175.52 178.12 1bzd h LYS 76 N 0.46 0.53 -0.53 4.72 3.64 -1.75 -0.68 116.57 122.96 1bzd h LYS 76 Ca -0.08 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1bzd h LYS 76 Cb 1.52 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1bzd h LYS 76 CO 0.18 0.35 -0.01 0.77 -2.27 0.00 0.00 179.45 178.47 1bzd h SER 77 N 0.55 0.88 -0.04 4.20 0.02 -1.88 -0.59 113.55 116.69 1bzd h SER 77 Ca 0.36 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1bzd h SER 77 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1bzd h SER 77 CO -0.31 0.95 -0.04 0.22 -1.14 0.00 0.00 176.83 176.52 1bzd h TYR 78 N 0.84 -0.08 -0.06 3.45 3.20 -1.21 -0.60 116.97 122.49 1bzd h TYR 78 Ca 0.16 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 1bzd h TYR 78 Cb 0.51 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1bzd h TYR 78 CO 0.03 -0.06 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.46 1bzd h TRP 79 N -0.05 0.23 -0.11 -3.82 4.06 -1.15 -3.09 115.95 112.02 1bzd h TRP 79 Ca 0.03 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.82 1bzd h TRP 79 Cb 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1bzd h TRP 79 CO -0.13 0.69 -0.30 0.87 -3.56 0.00 0.00 178.44 176.01 1bzd h LYS 80 N 0.14 0.20 -0.43 0.49 1.57 -0.64 -0.49 116.57 117.43 1bzd h LYS 80 Ca 0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1bzd h LYS 80 Cb 1.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1bzd h LYS 80 CO 0.08 0.50 -0.02 0.00 -0.57 0.00 0.00 179.45 179.44 1bzd h ALA 81 N 1.51 1.18 -0.00 3.86 0.00 -1.04 -1.13 119.26 123.63 1bzd h ALA 81 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bzd h ALA 81 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bzd h ALA 81 CO 0.05 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1bzd n LEU 82 N -4.23 0.10 -0.77 0.00 4.32 -0.90 -4.89 117.00 110.64 1bzd n LEU 82 Ca 0.02 -0.03 -0.08 0.00 -0.02 0.00 0.00 56.01 55.90 1bzd n LEU 82 Cb 0.29 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.07 1bzd n LEU 82 CO 0.41 0.02 -0.09 0.61 -1.22 0.00 0.00 177.39 177.11 1bzd n GLY 83 N 1.01 0.45 3.36 -0.72 0.00 -0.43 -5.01 105.19 103.84 1bzd n GLY 83 Ca 0.23 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1bzd n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bzd s ILE 84 N -2.35 2.81 -0.45 -0.61 1.01 -0.24 -5.02 121.20 116.36 1bzd s ILE 84 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.60 1bzd s ILE 84 Cb 0.00 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1bzd s ILE 84 CO 0.00 0.55 1.09 -0.55 0.00 0.00 0.00 174.94 176.03 1bzd s SER 85 N 0.09 6.66 0.86 3.58 0.15 -1.26 -3.60 113.70 120.18 1bzd s SER 85 Ca -0.07 0.50 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 1bzd s SER 85 Cb -0.15 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.81 1bzd s SER 85 CO 0.05 -1.16 1.17 -2.16 1.20 0.00 0.00 173.24 172.35 1bzd s PRO 86 N 4.21 1.00 -0.21 5.44 0.04 -1.26 -4.89 135.00 139.32 1bzd s PRO 86 Ca 0.46 -0.91 -0.07 0.00 0.04 0.00 0.00 61.00 60.52 1bzd s PRO 86 Cb -0.08 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1bzd s PRO 86 CO 0.28 -2.03 -0.25 0.34 0.04 0.00 0.00 177.00 175.38 1bzd n PHE 87 N -3.33 0.00 -2.69 0.56 7.35 -0.72 -5.00 117.46 113.62 1bzd n PHE 87 Ca 0.17 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.54 1bzd n PHE 87 Cb 0.60 -0.79 -0.04 0.00 0.35 0.00 0.00 39.48 39.60 1bzd n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1bzd s HIS 88 N -2.40 3.43 0.11 -5.13 0.09 -1.26 -4.97 115.29 105.15 1bzd s HIS 88 Ca -0.30 1.33 -0.04 0.00 -0.00 0.00 0.00 55.06 56.05 1bzd s HIS 88 Cb 0.10 -2.66 -0.15 0.00 -0.00 0.00 0.00 32.58 29.86 1bzd s HIS 88 CO 0.41 -0.19 1.25 0.93 -0.00 0.00 0.00 174.74 177.14 1bzd h GLU 89 N 1.33 0.36 0.00 1.40 4.39 -1.98 -3.38 114.58 116.71 1bzd h GLU 89 Ca -0.47 -0.45 0.15 0.00 0.34 0.00 0.00 59.36 58.93 1bzd h GLU 89 Cb 1.18 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 1bzd h GLU 89 CO 0.63 1.14 0.47 -2.39 -1.16 0.00 0.00 179.01 177.70 1bzd n HIS 90 N -3.68 -0.79 -4.74 4.33 1.44 -1.26 -3.86 115.22 106.66 1bzd n HIS 90 Ca -0.07 -0.70 -0.27 0.00 -2.01 0.00 0.00 57.72 54.66 1bzd n HIS 90 Cb 0.90 0.34 -0.17 0.00 0.12 0.00 0.00 29.99 31.18 1bzd n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bzd s ALA 91 N -1.68 1.53 0.13 1.59 0.00 -0.59 -4.86 121.76 117.87 1bzd s ALA 91 Ca 0.17 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1bzd s ALA 91 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1bzd s ALA 91 CO 0.02 0.14 -0.17 -1.21 0.00 0.00 0.00 175.76 174.55 1bzd s GLU 92 N 0.61 1.83 -0.20 0.00 8.01 -1.26 -0.65 118.70 127.04 1bzd s GLU 92 Ca -0.15 -1.19 -0.02 0.00 0.01 0.00 0.00 54.97 53.62 1bzd s GLU 92 Cb -0.16 -2.12 0.06 0.00 -4.31 0.00 0.00 34.13 27.59 1bzd s GLU 92 CO 0.05 0.47 0.02 0.08 0.01 0.00 0.00 175.26 175.89 1bzd s VAL 93 N -1.23 0.71 -0.22 2.63 1.01 0.46 -4.98 120.40 118.79 1bzd s VAL 93 Ca 0.19 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1bzd s VAL 93 Cb -0.10 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1bzd s VAL 93 CO 0.11 -0.17 0.00 -0.69 0.00 0.00 0.00 175.10 174.35 1bzd s VAL 94 N 1.77 3.87 0.10 2.92 1.01 -1.26 -0.90 120.40 127.91 1bzd s VAL 94 Ca -0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1bzd s VAL 94 Cb -0.17 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1bzd s VAL 94 CO -0.08 0.41 0.32 0.72 0.00 0.00 0.00 175.10 176.48 1bzd s PHE 95 N 1.25 -0.09 -0.24 5.22 -0.71 -0.58 -5.00 117.98 117.83 1bzd s PHE 95 Ca 0.04 -0.21 -0.09 0.00 -1.04 0.00 0.00 56.93 55.62 1bzd s PHE 95 Cb -0.15 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1bzd s PHE 95 CO 0.01 -0.62 0.13 0.99 -1.34 0.00 0.00 175.22 174.39 1bzd s THR 96 N -3.54 5.02 -0.09 -4.49 2.01 -1.26 -0.97 115.64 112.33 1bzd s THR 96 Ca 0.02 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 1bzd s THR 96 Cb 0.02 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1bzd s THR 96 CO -0.10 0.34 0.51 0.00 -0.69 0.00 0.00 174.62 174.68 1bzd s ALA 97 N 1.22 3.48 0.20 7.40 0.00 -0.11 -4.96 121.76 128.99 1bzd s ALA 97 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 51.98 1bzd s ALA 97 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1bzd s ALA 97 CO 0.05 0.05 -0.16 -0.80 0.00 0.00 0.00 175.76 174.90 1bzd s ASN 98 N 0.38 2.72 -0.07 0.00 0.02 -1.26 -2.64 114.94 114.10 1bzd s ASN 98 Ca 0.28 -0.96 -0.14 0.00 -1.02 0.00 0.00 52.86 51.02 1bzd s ASN 98 Cb -0.16 -0.16 -0.29 0.00 0.02 0.00 0.00 41.25 40.65 1bzd s ASN 98 CO 0.12 -0.09 0.64 0.44 0.02 0.00 0.00 177.10 178.22 1bzd h ASP 99 N 2.80 0.52 0.30 -1.22 5.19 -1.97 -3.38 116.42 118.65 1bzd h ASP 99 Ca -0.40 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.11 1bzd h ASP 99 Cb 1.22 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 1bzd h ASP 99 CO 0.57 1.70 -0.35 0.77 -3.12 0.00 0.00 179.24 178.82 1bzd h SER 100 N -0.09 -0.95 -2.56 6.45 4.64 -2.04 -3.44 113.55 115.57 1bzd h SER 100 Ca -0.32 0.09 -0.44 0.00 -0.47 0.00 0.00 61.79 60.65 1bzd h SER 100 Cb 1.94 0.33 0.23 0.00 -0.31 0.00 0.00 62.40 64.59 1bzd h SER 100 CO 0.13 -0.48 -0.73 0.61 -0.87 0.00 0.00 176.83 175.49 1bzd n GLY 101 N -1.45 -2.42 3.30 -0.77 0.00 -1.26 -4.92 105.19 97.67 1bzd n GLY 101 Ca -0.09 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1bzd n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bzd n PRO 102 N -3.12 -0.31 0.00 1.61 -0.02 -1.26 -4.98 135.00 126.91 1bzd n PRO 102 Ca 0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1bzd n PRO 102 Cb 0.59 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1bzd n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bzd n ARG 103 N -0.67 0.00 -1.88 -0.52 3.00 -0.86 -4.84 116.66 110.89 1bzd n ARG 103 Ca 0.04 0.04 -0.41 0.00 -0.01 0.00 0.00 57.85 57.51 1bzd n ARG 103 Cb 0.55 -0.56 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1bzd n ARG 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1bzd s ARG 104 N -0.12 4.17 -0.12 5.56 3.00 -0.97 -4.88 118.95 125.59 1bzd s ARG 104 Ca 0.00 2.48 0.03 0.00 -1.00 0.00 0.00 55.73 57.23 1bzd s ARG 104 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 34.95 31.96 1bzd s ARG 104 CO 0.00 -0.45 -0.21 0.71 0.00 0.00 0.00 175.30 175.35 1bzd s TYR 105 N -1.02 2.47 -0.20 5.12 1.51 -0.49 -2.65 117.35 122.10 1bzd s TYR 105 Ca 0.53 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1bzd s TYR 105 Cb -0.45 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1bzd s TYR 105 CO 0.59 -0.54 -0.16 0.99 -1.11 0.00 0.00 175.55 175.32 1bzd s THR 106 N 0.75 1.98 -0.25 -0.71 2.01 -0.49 -0.36 115.64 118.58 1bzd s THR 106 Ca -0.10 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 1bzd s THR 106 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1bzd s THR 106 CO 0.00 0.35 0.12 -0.63 -0.69 0.00 0.00 174.62 173.78 1bzd s ILE 107 N 1.28 4.85 0.04 1.82 -1.09 0.06 -0.54 121.20 127.61 1bzd s ILE 107 Ca 0.01 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.49 1bzd s ILE 107 Cb -0.15 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1bzd s ILE 107 CO -0.10 0.33 -0.11 0.00 -1.23 0.00 0.00 174.94 173.83 1bzd s ALA 108 N 1.39 2.87 -0.03 9.38 0.00 0.17 -1.11 121.76 134.44 1bzd s ALA 108 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1bzd s ALA 108 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1bzd s ALA 108 CO 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 175.76 176.40 1bzd s ALA 109 N -1.02 0.46 -0.16 0.00 0.00 -0.14 -1.02 121.76 119.87 1bzd s ALA 109 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1bzd s ALA 109 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1bzd s ALA 109 CO 0.08 -0.01 -0.15 -1.17 0.00 0.00 0.00 175.76 174.51 1bzd s LEU 110 N 0.75 2.45 -0.00 0.00 2.96 -0.46 -0.61 118.68 123.77 1bzd s LEU 110 Ca -0.09 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1bzd s LEU 110 Cb -0.12 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1bzd s LEU 110 CO -0.01 0.06 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.14 1bzd s LEU 111 N 0.96 2.54 0.13 -0.68 1.43 0.45 -1.47 118.68 122.05 1bzd s LEU 111 Ca -0.03 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1bzd s LEU 111 Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1bzd s LEU 111 CO -0.03 0.30 -0.05 -0.44 0.23 0.00 0.00 176.35 176.36 1bzd s SER 112 N -1.03 1.32 0.26 2.29 0.01 0.54 -0.96 113.70 116.13 1bzd s SER 112 Ca 0.13 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.31 1bzd s SER 112 Cb -0.10 0.08 0.50 0.00 0.21 0.00 0.00 66.02 66.70 1bzd s SER 112 CO 0.02 -0.47 1.79 -0.65 0.41 0.00 0.00 173.24 174.35 1bzd h PRO 113 N 2.84 0.72 -0.28 12.44 0.11 -2.00 -2.97 132.00 142.86 1bzd h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1bzd h PRO 113 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1bzd h PRO 113 CO 0.64 0.48 0.00 0.66 -0.21 0.00 0.00 178.00 179.57 1bzd n TYR 114 N -4.78 0.73 -3.49 0.65 4.02 -1.26 -1.76 117.16 111.26 1bzd n TYR 114 Ca 0.16 -0.73 -0.16 0.00 -0.01 0.00 0.00 57.90 57.16 1bzd n TYR 114 Cb 0.37 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 1bzd n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bzd s SER 115 N -1.59 -0.62 -0.10 7.72 0.15 -1.12 -4.98 113.70 113.15 1bzd s SER 115 Ca 0.34 0.48 -0.16 0.00 0.70 0.00 0.00 55.95 57.31 1bzd s SER 115 Cb 0.25 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 65.15 1bzd s SER 115 CO 0.11 -0.72 0.41 -0.72 1.20 0.00 0.00 173.24 173.52 1bzd s TYR 116 N -2.01 -0.38 0.15 3.44 -0.85 -1.26 -0.34 117.35 116.10 1bzd s TYR 116 Ca -0.07 0.83 0.11 0.00 -0.52 0.00 0.00 57.07 57.42 1bzd s TYR 116 Cb -0.00 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1bzd s TYR 116 CO 0.03 -0.32 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.39 1bzd s SER 117 N -0.45 3.55 -0.06 -0.18 0.01 -0.54 -4.98 113.70 111.05 1bzd s SER 117 Ca -0.06 -0.74 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 1bzd s SER 117 Cb -0.03 -0.34 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1bzd s SER 117 CO 0.03 0.15 0.14 0.28 0.41 0.00 0.00 173.24 174.25 1bzd s THR 118 N -1.35 -0.01 0.08 1.44 -1.32 -1.26 -1.35 115.64 111.87 1bzd s THR 118 Ca 0.18 0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.75 1bzd s THR 118 Cb -0.09 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 1bzd s THR 118 CO 0.09 0.02 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.51 1bzd s THR 119 N 0.35 1.02 -0.10 5.08 2.01 -0.19 -4.97 115.64 118.83 1bzd s THR 119 Ca -0.02 -1.46 0.04 0.00 0.31 0.00 0.00 61.69 60.55 1bzd s THR 119 Cb -0.04 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 1bzd s THR 119 CO -0.01 -0.39 -0.23 0.00 -0.69 0.00 0.00 174.62 173.30 1bzd s ALA 120 N -1.83 2.23 -0.24 7.40 0.00 -1.26 0.44 121.76 128.51 1bzd s ALA 120 Ca 0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1bzd s ALA 120 Cb -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1bzd s ALA 120 CO 0.01 0.29 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 1bzd s VAL 121 N 0.32 2.97 -0.24 0.00 1.01 0.29 -4.99 120.40 119.76 1bzd s VAL 121 Ca -0.17 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1bzd s VAL 121 Cb -0.18 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1bzd s VAL 121 CO 0.08 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 1bzd s VAL 122 N 1.37 2.71 0.38 2.92 1.01 -1.26 -1.39 120.40 126.13 1bzd s VAL 122 Ca 0.02 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1bzd s VAL 122 Cb -0.16 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1bzd s VAL 122 CO -0.05 0.20 0.20 0.42 0.00 0.00 0.00 175.10 175.87 1bzd s THR 123 N 1.29 0.30 -0.18 3.92 -4.23 -1.09 -4.91 115.64 110.75 1bzd s THR 123 Ca -0.01 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1bzd s THR 123 Cb -0.17 -2.38 -0.22 0.00 1.34 0.00 0.00 72.50 71.07 1bzd s THR 123 CO -0.05 0.00 0.09 -3.20 -0.54 0.00 0.00 174.62 170.92 1bzd n ASN 124 N -1.47 2.05 -2.66 3.99 4.05 -1.26 -2.02 115.26 117.94 1bzd n ASN 124 Ca -0.00 0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.08 1bzd n ASN 124 Cb 0.64 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 41.00 1bzd n ASN 124 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1bzd n PRO 125 N -3.38 -0.73 0.26 1.20 -0.04 -1.26 -4.63 135.00 126.43 1bzd n PRO 125 Ca -0.38 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.25 1bzd n PRO 125 Cb 1.02 0.00 0.87 0.00 -0.04 0.00 0.00 33.50 35.36 1bzd n PRO 125 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1bzd h LYS 126 N 0.00 0.00 0.00 0.54 2.10 -1.97 -3.40 116.57 113.84 1bzd h LYS 126 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bzd h LYS 126 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bzd h LYS 126 CO 0.00 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.54