#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzd n PRO 2 N 0.00 -0.70 -3.96 1.61 -0.02 -1.24 -4.89 135.00 125.80 1bzd n PRO 2 Ca 0.00 -0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.21 1bzd n PRO 2 Cb 0.00 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 1bzd n PRO 2 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1bzd s THR 3 N -2.32 0.12 0.00 3.45 2.01 -1.26 -4.10 115.64 113.53 1bzd s THR 3 Ca 0.55 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1bzd s THR 3 Cb -0.17 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1bzd s THR 3 CO 0.68 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1bzd n GLY 4 N 1.28 0.04 2.06 4.40 0.00 -1.26 -4.51 105.19 107.20 1bzd n GLY 4 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1bzd n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bzd n THR 5 N -2.00 0.00 -3.87 2.61 5.66 -1.26 -4.84 114.28 110.57 1bzd n THR 5 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1bzd n THR 5 Cb 0.00 -0.11 -0.04 0.00 -1.55 0.00 0.00 70.33 68.63 1bzd n THR 5 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1bzd s SER 6 N -2.86 4.70 0.00 1.09 0.15 -1.26 -3.25 113.70 112.28 1bzd s SER 6 Ca 0.00 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1bzd s SER 6 Cb 0.00 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1bzd s SER 6 CO 0.00 -0.70 0.14 -1.84 1.20 0.00 0.00 173.24 172.04 1bzd n GLU 7 N -1.46 0.00 -0.18 5.44 0.28 -0.29 -4.09 120.64 120.34 1bzd n GLU 7 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1bzd n GLU 7 Cb 0.63 -0.18 0.05 0.00 1.43 0.00 0.00 31.44 33.37 1bzd n GLU 7 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1bzd h SER 8 N 1.46 0.45 -0.00 -1.84 0.87 -1.71 -3.33 113.55 109.46 1bzd h SER 8 Ca 0.00 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 1bzd h SER 8 Cb 0.14 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 61.89 1bzd h SER 8 CO 0.14 0.31 -0.31 2.29 -0.53 0.00 0.00 176.83 178.73 1bzd n LYS 9 N -4.83 0.16 -3.28 2.24 -0.00 -1.26 0.12 118.16 111.31 1bzd n LYS 9 Ca 0.05 -1.05 -0.27 0.00 -0.00 0.00 0.00 58.31 57.04 1bzd n LYS 9 Cb 0.12 0.47 0.02 0.00 -0.00 0.00 0.00 35.03 35.64 1bzd n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bzd h PRO 11 N 0.88 0.00 -3.88 0.00 0.13 -1.87 -3.43 132.00 123.84 1bzd h PRO 11 Ca -0.49 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.20 1bzd h PRO 11 Cb 1.14 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.91 1bzd h PRO 11 CO 0.24 0.00 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.06 1bzd s LEU 12 N -5.56 0.91 0.01 1.56 2.96 -1.26 0.26 118.68 117.56 1bzd s LEU 12 Ca 0.04 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1bzd s LEU 12 Cb 0.09 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1bzd s LEU 12 CO 0.54 -0.14 -0.03 -0.32 -1.32 0.00 0.00 176.35 175.08 1bzd s MET 13 N 1.59 0.25 -0.05 1.98 1.75 0.14 -4.56 119.30 120.39 1bzd s MET 13 Ca -0.00 -0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.16 1bzd s MET 13 Cb -0.13 -0.10 -0.00 0.00 2.84 0.00 0.00 34.83 37.44 1bzd s MET 13 CO -0.04 0.02 -0.19 0.08 -0.65 0.00 0.00 175.02 174.24 1bzd s VAL 14 N -0.64 1.56 -0.08 10.11 1.01 -0.95 -0.47 120.40 130.94 1bzd s VAL 14 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1bzd s VAL 14 Cb -0.05 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1bzd s VAL 14 CO -0.00 0.45 -0.09 -0.75 0.00 0.00 0.00 175.10 174.71 1bzd s LYS 15 N 0.10 1.44 -0.06 2.72 2.36 -0.02 -0.79 119.74 125.49 1bzd s LYS 15 Ca -0.06 -0.28 0.05 0.00 -2.55 0.00 0.00 55.97 53.13 1bzd s LYS 15 Cb -0.13 -1.36 -0.00 0.00 -1.05 0.00 0.00 37.83 35.28 1bzd s LYS 15 CO 0.03 -0.12 -0.20 0.08 1.55 0.00 0.00 175.35 176.69 1bzd s VAL 16 N 1.17 1.67 0.12 4.02 1.01 -0.39 -0.12 120.40 127.88 1bzd s VAL 16 Ca -0.05 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.20 1bzd s VAL 16 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1bzd s VAL 16 CO -0.02 0.47 -0.26 -0.76 0.00 0.00 0.00 175.10 174.53 1bzd s LEU 17 N 0.10 2.31 -0.29 3.92 1.43 0.91 -1.45 118.68 125.60 1bzd s LEU 17 Ca -0.07 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1bzd s LEU 17 Cb -0.14 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1bzd s LEU 17 CO 0.04 0.17 0.15 -0.62 0.23 0.00 0.00 176.35 176.32 1bzd s ASP 18 N -2.01 5.58 0.15 2.29 -1.08 0.14 -0.71 116.67 121.04 1bzd s ASP 18 Ca 0.13 -0.34 0.27 0.00 -0.52 0.00 0.00 52.55 52.09 1bzd s ASP 18 Cb -0.10 -2.02 0.90 0.00 -1.46 0.00 0.00 42.92 40.25 1bzd s ASP 18 CO 0.06 -0.13 1.80 0.00 0.52 0.00 0.00 175.17 177.41 1bzd n ALA 19 N 4.99 2.32 0.05 3.66 0.00 0.72 -2.08 120.51 130.17 1bzd n ALA 19 Ca -0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1bzd n ALA 19 Cb 0.50 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 0.00 0.96 0.00 0.00 2.07 -1.94 -3.39 116.25 113.94 1bzd h VAL 20 Ca 0.00 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1bzd h VAL 20 Cb 0.68 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1bzd h VAL 20 CO 0.00 0.82 -1.00 0.54 0.02 0.00 0.00 177.57 177.95 1bzd n ARG 21 N -3.47 1.12 -3.01 1.57 1.74 -1.25 -4.99 116.66 108.37 1bzd n ARG 21 Ca -0.22 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 1bzd n ARG 21 Cb 1.06 -1.34 0.05 0.00 -1.02 0.00 0.00 32.46 31.20 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 1.42 0.04 3.44 -0.13 0.00 -0.89 -5.03 105.19 104.05 1bzd n GLY 22 Ca 0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.43 0.00 0.50 1.61 1.04 -1.14 -5.01 113.70 107.27 1bzd s SER 23 Ca 0.20 -1.08 -0.20 0.00 0.48 0.00 0.00 55.95 55.35 1bzd s SER 23 Cb -0.09 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1bzd s SER 23 CO 0.42 -1.02 1.05 -2.16 0.98 0.00 0.00 173.24 172.51 1bzd s PRO 24 N -4.06 3.73 -0.49 4.02 0.04 -1.26 0.23 135.00 137.21 1bzd s PRO 24 Ca 0.28 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 1bzd s PRO 24 Cb 0.02 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1bzd s PRO 24 CO 0.09 -0.50 0.67 0.00 0.04 0.00 0.00 177.00 177.31 1bzd s ALA 25 N -2.00 3.34 0.08 8.56 0.00 -0.53 -4.59 121.76 126.63 1bzd s ALA 25 Ca 0.68 -1.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 1bzd s ALA 25 Cb -0.17 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1bzd s ALA 25 CO 0.22 -1.97 0.39 0.42 0.00 0.00 0.00 175.76 174.82 1bzd s ILE 26 N 2.87 5.11 -1.21 0.00 1.01 -1.26 -4.36 121.20 123.36 1bzd s ILE 26 Ca 0.20 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 1bzd s ILE 26 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1bzd s ILE 26 CO 0.16 0.28 0.33 0.59 0.00 0.00 0.00 174.94 176.30 1bzd n ASN 27 N 0.88 -4.89 -4.68 3.58 3.02 -0.41 -4.95 115.26 107.80 1bzd n ASN 27 Ca -0.08 -0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 1bzd n ASN 27 Cb 0.52 -3.82 -0.06 0.00 -0.61 0.00 0.00 39.78 35.81 1bzd n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bzd s VAL 28 N -2.95 5.10 0.17 2.41 1.01 -1.26 -4.78 120.40 120.10 1bzd s VAL 28 Ca 0.16 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1bzd s VAL 28 Cb -0.07 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1bzd s VAL 28 CO 0.20 0.20 1.06 0.00 0.00 0.00 0.00 175.10 176.56 1bzd s ALA 29 N 1.43 3.34 -0.06 5.51 0.00 -1.26 -1.06 121.76 129.66 1bzd s ALA 29 Ca 0.27 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1bzd s ALA 29 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1bzd s ALA 29 CO 0.11 -0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.70 1bzd s VAL 30 N -0.32 1.05 -0.09 0.00 1.01 0.17 -1.81 120.40 120.41 1bzd s VAL 30 Ca 0.48 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1bzd s VAL 30 Cb -0.28 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1bzd s VAL 30 CO 0.34 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.56 1bzd s HIS 31 N 0.61 2.33 -0.06 5.22 3.76 -0.51 -1.19 115.29 125.45 1bzd s HIS 31 Ca -0.13 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 53.88 1bzd s HIS 31 Cb -0.15 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 1bzd s HIS 31 CO 0.03 -0.38 -0.12 0.08 -0.85 0.00 0.00 174.74 173.50 1bzd s VAL 32 N 0.38 3.26 0.11 -0.90 1.01 0.11 -0.88 120.40 123.49 1bzd s VAL 32 Ca -0.17 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1bzd s VAL 32 Cb -0.17 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1bzd s VAL 32 CO 0.08 0.58 -0.10 -0.36 0.00 0.00 0.00 175.10 175.30 1bzd s PHE 33 N -0.62 1.12 -0.02 5.22 0.40 0.19 0.34 117.98 124.61 1bzd s PHE 33 Ca 0.09 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.79 1bzd s PHE 33 Cb -0.11 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1bzd s PHE 33 CO 0.01 0.02 -0.19 0.50 0.70 0.00 0.00 175.22 176.26 1bzd s ARG 34 N -3.06 1.64 -0.09 0.44 3.52 -0.31 -0.19 118.95 120.89 1bzd s ARG 34 Ca 0.08 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 1bzd s ARG 34 Cb -0.01 -1.55 -0.05 0.00 -1.56 0.00 0.00 34.95 31.77 1bzd s ARG 34 CO 0.00 0.40 1.66 0.21 -0.81 0.00 0.00 175.30 176.76 1bzd s LYS 35 N -0.39 4.07 0.41 5.12 2.47 0.65 -0.95 119.74 131.12 1bzd s LYS 35 Ca 0.06 2.08 -0.22 0.00 -1.56 0.00 0.00 55.97 56.33 1bzd s LYS 35 Cb -0.08 -4.01 -0.11 0.00 -1.46 0.00 0.00 37.83 32.17 1bzd s LYS 35 CO -0.00 -0.98 0.95 0.00 0.16 0.00 0.00 175.35 175.48 1bzd s ALA 36 N 4.41 3.08 0.40 3.13 0.00 0.29 -4.73 121.76 128.33 1bzd s ALA 36 Ca 0.74 0.42 0.22 0.00 0.00 0.00 0.00 51.96 53.34 1bzd s ALA 36 Cb -0.32 -3.15 1.23 0.00 0.00 0.00 0.00 23.12 20.88 1bzd s ALA 36 CO 0.30 0.14 1.68 0.00 0.00 0.00 0.00 175.76 177.88 1bzd h ALA 37 N 2.16 2.36 -0.08 0.00 0.00 -1.93 0.60 119.26 122.37 1bzd h ALA 37 Ca -0.49 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1bzd h ALA 37 Cb 1.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1bzd h ALA 37 CO 0.62 -0.91 0.02 -0.40 0.00 0.00 0.00 179.25 178.58 1bzd n ASP 38 N -4.77 1.91 -2.55 0.00 5.68 -1.26 -4.86 116.55 110.70 1bzd n ASP 38 Ca 0.32 -2.13 -0.20 0.00 -0.50 0.00 0.00 54.79 52.28 1bzd n ASP 38 Cb 1.13 -0.53 0.01 0.00 -1.14 0.00 0.00 41.12 40.60 1bzd n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1bzd n ASP 39 N 0.13 -5.73 -4.25 -1.12 2.03 0.21 -5.01 116.55 102.80 1bzd n ASP 39 Ca 0.04 -0.16 -0.16 0.00 0.52 0.00 0.00 54.79 55.03 1bzd n ASP 39 Cb 0.43 -4.65 -0.11 0.00 -0.72 0.00 0.00 41.12 36.07 1bzd n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1bzd s THR 40 N -3.06 1.30 -0.26 5.18 -4.23 -1.20 -4.89 115.64 108.47 1bzd s THR 40 Ca 0.16 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.47 1bzd s THR 40 Cb -0.07 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.08 1bzd s THR 40 CO 0.19 -0.58 1.03 0.26 -0.54 0.00 0.00 174.62 174.99 1bzd s TRP 41 N -2.72 3.27 -0.18 3.99 0.52 -1.26 0.10 118.94 122.67 1bzd s TRP 41 Ca 0.13 1.34 -0.07 0.00 0.02 0.00 0.00 56.10 57.53 1bzd s TRP 41 Cb -0.01 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 1bzd s TRP 41 CO 0.02 -0.57 0.05 -1.83 0.02 0.00 0.00 176.95 174.64 1bzd s GLU 42 N 3.32 3.93 -0.13 4.98 -1.05 -0.13 -4.90 118.70 124.72 1bzd s GLU 42 Ca 0.44 -0.37 -0.37 0.00 -0.15 0.00 0.00 54.97 54.51 1bzd s GLU 42 Cb -0.14 -3.17 -0.14 0.00 -0.44 0.00 0.00 34.13 30.23 1bzd s GLU 42 CO 0.09 0.27 1.72 -2.30 0.95 0.00 0.00 175.26 175.99 1bzd n PRO 43 N 3.54 1.57 -0.11 -4.83 -0.02 -1.26 -1.16 135.00 132.72 1bzd n PRO 43 Ca -0.17 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.68 1bzd n PRO 43 Cb 0.52 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 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 5.25 0.00 -3.54 6.00 7.35 0.15 -4.83 117.46 127.84 1bzd n PHE 44 Ca 0.23 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1bzd n PHE 44 Cb 0.20 -0.79 -0.02 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.40 -1.70 0.17 3.13 0.00 -0.89 -4.99 121.76 115.08 1bzd s ALA 45 Ca -0.30 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 1bzd s ALA 45 Cb 0.10 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1bzd s ALA 45 CO 0.42 -0.79 0.51 -1.54 0.00 0.00 0.00 175.76 174.36 1bzd s SER 46 N -2.66 -0.33 0.00 0.00 1.04 -1.26 0.07 113.70 110.56 1bzd s SER 46 Ca 0.05 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1bzd s SER 46 Cb -0.01 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1bzd s SER 46 CO -0.07 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1bzd n GLY 47 N -0.32 -1.21 3.21 7.32 0.00 -0.33 -4.98 105.19 108.89 1bzd n GLY 47 Ca -0.13 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.03 0.93 0.42 1.61 1.02 -1.26 0.41 119.74 121.84 1bzd s LYS 48 Ca 0.00 -1.05 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 1bzd s LYS 48 Cb 0.00 -1.00 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 1bzd s LYS 48 CO 0.00 0.22 1.05 0.95 -0.92 0.00 0.00 175.35 176.65 1bzd s THR 49 N -1.34 3.72 0.00 2.17 -4.23 -0.23 -4.74 115.64 110.99 1bzd s THR 49 Ca 0.02 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1bzd s THR 49 Cb -0.09 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1bzd s THR 49 CO 0.03 -0.04 0.00 -1.54 -0.54 0.00 0.00 174.62 172.52 1bzd n SER 50 N -0.27 0.00 0.14 3.99 3.41 0.24 -1.29 113.62 119.83 1bzd n SER 50 Ca 0.06 -0.59 0.05 0.00 -0.26 0.00 0.00 58.87 58.13 1bzd n SER 50 Cb 0.50 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.24 -0.22 4.33 4.39 -1.94 -0.61 114.58 120.77 1bzd h GLU 51 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1bzd h GLU 51 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1bzd h GLU 51 CO 0.00 0.23 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 1bzd n SER 52 N -4.43 1.56 -0.27 1.42 3.41 -1.26 -4.78 113.62 109.27 1bzd n SER 52 Ca -0.00 -1.82 -0.03 0.00 -0.26 0.00 0.00 58.87 56.76 1bzd n SER 52 Cb 0.14 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.05 0.61 3.77 5.00 0.00 -0.24 -4.85 105.19 110.54 1bzd n GLY 53 Ca 0.14 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.60 2.77 -0.16 1.61 2.02 -1.26 -1.27 118.70 120.81 1bzd s GLU 54 Ca 0.00 -1.01 -0.03 0.00 0.02 0.00 0.00 54.97 53.95 1bzd s GLU 54 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 34.13 31.75 1bzd s GLU 54 CO 0.00 0.45 0.05 -1.17 0.02 0.00 0.00 175.26 174.60 1bzd s LEU 55 N -3.32 0.76 0.37 1.80 2.96 0.03 -0.59 118.68 120.68 1bzd s LEU 55 Ca 0.31 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1bzd s LEU 55 Cb -0.09 -0.43 -0.07 0.00 0.50 0.00 0.00 46.19 46.09 1bzd s LEU 55 CO 0.23 -0.30 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.93 1bzd s HIS 56 N 1.98 2.36 -0.83 5.38 3.76 -1.26 -2.24 115.29 124.44 1bzd s HIS 56 Ca 0.01 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1bzd s HIS 56 Cb -0.16 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1bzd s HIS 56 CO -0.07 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.66 1bzd n GLY 57 N -0.84 0.79 0.16 -2.22 0.00 -1.26 -4.91 105.19 96.91 1bzd n GLY 57 Ca -0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.48 0.00 0.99 3.38 -1.87 -3.37 115.31 114.93 1bzd h LEU 58 Ca -0.17 -0.47 -0.27 0.00 0.09 0.00 0.00 57.88 57.06 1bzd h LEU 58 Cb 0.66 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1bzd h LEU 58 CO 0.24 0.85 -0.25 1.07 0.09 0.00 0.00 178.44 180.44 1bzd n THR 59 N -4.48 0.00 -4.36 0.22 5.66 -1.25 -4.78 114.28 105.29 1bzd n THR 59 Ca -0.05 -1.42 -0.19 0.00 -3.05 0.00 0.00 64.05 59.34 1bzd n THR 59 Cb 0.39 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 69.79 1bzd n THR 59 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1bzd s THR 60 N -2.80 1.66 0.28 1.09 -1.32 -1.20 -1.14 115.64 112.22 1bzd s THR 60 Ca 0.23 -2.18 -0.00 0.00 -1.21 0.00 0.00 61.69 58.53 1bzd s THR 60 Cb 0.01 -2.15 0.13 0.00 -1.51 0.00 0.00 72.50 68.99 1bzd s THR 60 CO 0.16 -0.52 1.81 1.05 -2.21 0.00 0.00 174.62 174.91 1bzd h GLU 61 N 2.50 0.73 0.00 7.08 -0.00 -1.85 -1.45 114.58 121.58 1bzd h GLU 61 Ca -0.38 -0.17 -0.12 0.00 -0.00 0.00 0.00 59.36 58.68 1bzd h GLU 61 Cb 1.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 29.86 1bzd h GLU 61 CO 0.63 0.72 -0.59 0.93 -0.00 0.00 0.00 179.01 180.71 1bzd h GLU 62 N 0.69 0.00 0.00 1.06 4.39 -1.97 -3.20 114.58 115.55 1bzd h GLU 62 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1bzd h GLU 62 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1bzd h GLU 62 CO 0.01 0.59 -0.82 1.49 -1.16 0.00 0.00 179.01 179.11 1bzd h GLU 63 N 0.00 0.00 -3.84 2.33 4.81 -1.83 -3.40 114.58 112.65 1bzd h GLU 63 Ca -0.01 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.47 1bzd h GLU 63 Cb 1.07 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1bzd h GLU 63 CO 0.08 0.02 1.79 0.34 -0.73 0.00 0.00 179.01 180.51 1bzd n PHE 64 N -2.78 3.51 -1.95 0.92 7.35 -0.57 -4.93 117.46 119.01 1bzd n PHE 64 Ca 0.00 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.47 1bzd n PHE 64 Cb 0.56 -1.99 0.19 0.00 0.35 0.00 0.00 39.48 38.59 1bzd n PHE 64 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1bzd n VAL 65 N 3.62 0.00 -2.12 -2.13 0.24 -1.26 -4.94 118.33 111.74 1bzd n VAL 65 Ca 0.38 -0.99 -0.37 0.00 -2.04 0.00 0.00 64.34 61.32 1bzd n VAL 65 Cb 0.38 -1.47 0.01 0.00 -1.47 0.00 0.00 33.84 31.29 1bzd n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1bzd s GLU 66 N -5.68 3.57 0.00 7.34 2.12 -1.26 -4.74 118.70 120.04 1bzd s GLU 66 Ca 0.71 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.94 1bzd s GLU 66 Cb -0.02 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1bzd s GLU 66 CO 0.49 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1bzd n GLY 67 N 0.52 0.60 3.76 -1.50 0.00 -1.16 -5.00 105.19 102.41 1bzd n GLY 67 Ca 0.08 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.97 5.43 0.19 -0.61 1.01 -1.26 -1.21 121.20 122.78 1bzd s ILE 68 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 60.65 60.96 1bzd s ILE 68 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1bzd s ILE 68 CO 0.00 0.48 -0.22 -0.31 0.00 0.00 0.00 174.94 174.89 1bzd s TYR 69 N 0.05 2.15 -0.12 3.97 1.51 -0.05 -0.25 117.35 124.61 1bzd s TYR 69 Ca 0.10 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1bzd s TYR 69 Cb -0.11 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1bzd s TYR 69 CO -0.01 0.46 -0.09 0.21 -1.11 0.00 0.00 175.55 175.01 1bzd s LYS 70 N -2.75 1.71 -0.32 -0.62 2.20 0.73 -2.06 119.74 118.63 1bzd s LYS 70 Ca 0.20 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1bzd s LYS 70 Cb -0.07 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1bzd s LYS 70 CO 0.09 -0.24 0.15 0.08 -0.36 0.00 0.00 175.35 175.07 1bzd s VAL 71 N 1.59 4.50 -0.17 4.02 1.01 -0.10 -0.64 120.40 130.61 1bzd s VAL 71 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1bzd s VAL 71 Cb -0.13 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1bzd s VAL 71 CO -0.08 0.03 -0.03 -0.70 0.00 0.00 0.00 175.10 174.32 1bzd s GLU 72 N 1.59 3.64 -0.23 2.72 2.12 -0.05 -0.00 118.70 128.48 1bzd s GLU 72 Ca 0.04 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1bzd s GLU 72 Cb -0.17 -2.97 0.01 0.00 0.26 0.00 0.00 34.13 31.25 1bzd s GLU 72 CO 0.06 0.14 -0.07 0.42 -0.54 0.00 0.00 175.26 175.27 1bzd s ILE 73 N 0.63 2.97 -1.17 -3.70 1.01 0.68 -1.42 121.20 120.20 1bzd s ILE 73 Ca -0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 1bzd s ILE 73 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1bzd s ILE 73 CO 0.02 0.35 1.91 -0.67 0.00 0.00 0.00 174.94 176.56 1bzd n ASP 74 N 4.72 3.58 -0.06 3.58 2.03 -0.75 -1.81 116.55 127.84 1bzd n ASP 74 Ca -0.18 -2.77 -0.15 0.00 0.52 0.00 0.00 54.79 52.21 1bzd n ASP 74 Cb 0.49 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.22 1bzd n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bzd h THR 75 N 5.40 1.32 -0.25 5.18 1.35 -1.88 -3.21 112.91 120.82 1bzd h THR 75 Ca 0.37 -1.67 0.06 0.00 -0.55 0.00 0.00 66.41 64.61 1bzd h THR 75 Cb 0.83 1.85 -0.08 0.00 -1.73 0.00 0.00 68.15 69.02 1bzd h THR 75 CO 1.52 0.52 -0.35 0.50 -0.25 0.00 0.00 175.52 177.46 1bzd h LYS 76 N 0.37 -0.34 -0.79 4.72 3.64 -1.75 -0.76 116.57 121.66 1bzd h LYS 76 Ca 0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1bzd h LYS 76 Cb 1.05 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 1bzd h LYS 76 CO 0.10 -0.23 0.52 0.77 -2.27 0.00 0.00 179.45 178.34 1bzd h SER 77 N -0.35 0.61 0.33 4.20 0.02 -1.86 -1.53 113.55 114.95 1bzd h SER 77 Ca 0.12 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1bzd h SER 77 Cb 0.56 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1bzd h SER 77 CO -0.44 0.35 -0.16 0.22 -1.14 0.00 0.00 176.83 175.66 1bzd h TYR 78 N 0.66 -0.41 -0.22 3.45 3.20 -1.17 -1.03 116.97 121.46 1bzd h TYR 78 Ca 0.37 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 1bzd h TYR 78 Cb 0.54 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1bzd h TYR 78 CO -0.00 -0.20 -0.33 -1.49 -1.64 0.00 0.00 178.16 174.50 1bzd h TRP 79 N -0.51 0.54 -0.46 -3.82 4.06 -1.11 -2.88 115.95 111.77 1bzd h TRP 79 Ca -0.04 -0.13 -0.07 0.00 2.06 0.00 0.00 58.89 60.70 1bzd h TRP 79 Cb 0.39 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1bzd h TRP 79 CO -0.03 0.75 0.00 0.87 -3.56 0.00 0.00 178.44 176.47 1bzd h LYS 80 N 0.40 0.76 0.00 0.49 1.57 -1.18 -0.16 116.57 118.45 1bzd h LYS 80 Ca 0.05 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1bzd h LYS 80 Cb 0.77 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1bzd h LYS 80 CO 0.06 0.76 -0.17 0.00 -0.57 0.00 0.00 179.45 179.54 1bzd h ALA 81 N 1.30 1.25 -0.01 3.86 0.00 -0.98 -2.10 119.26 122.56 1bzd h ALA 81 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bzd h ALA 81 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bzd h ALA 81 CO 0.02 0.21 -0.09 1.28 0.00 0.00 0.00 179.25 180.67 1bzd n LEU 82 N -3.65 1.39 0.00 0.00 4.32 -0.23 -4.93 117.00 113.91 1bzd n LEU 82 Ca -0.01 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 1bzd n LEU 82 Cb 0.29 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1bzd n LEU 82 CO 0.32 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 1bzd n GLY 83 N 1.23 0.74 3.57 -0.72 0.00 -0.79 -5.06 105.19 104.16 1bzd n GLY 83 Ca 0.17 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.46 -0.46 -0.61 1.01 -0.31 -5.00 121.20 117.28 1bzd s ILE 84 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 1bzd s ILE 84 Cb 0.00 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 40.01 1bzd s ILE 84 CO 0.00 0.30 0.37 -0.44 0.00 0.00 0.00 174.94 175.17 1bzd s SER 85 N -1.65 6.03 0.88 3.58 0.01 -1.26 -2.97 113.70 118.32 1bzd s SER 85 Ca 0.18 -1.37 -0.13 0.00 1.31 0.00 0.00 55.95 55.94 1bzd s SER 85 Cb -0.11 -2.14 0.13 0.00 0.21 0.00 0.00 66.02 64.11 1bzd s SER 85 CO 0.09 -0.62 1.20 -2.16 0.41 0.00 0.00 173.24 172.16 1bzd s PRO 86 N 1.59 1.36 -0.18 12.44 0.04 -1.26 -4.94 135.00 144.05 1bzd s PRO 86 Ca 0.04 0.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.99 1bzd s PRO 86 Cb -0.24 -1.89 -0.22 0.00 0.04 0.00 0.00 34.50 32.19 1bzd s PRO 86 CO 0.06 -2.00 0.18 0.34 0.04 0.00 0.00 177.00 175.62 1bzd n PHE 87 N -3.57 0.92 -2.87 0.56 7.35 -0.65 -4.96 117.46 114.23 1bzd n PHE 87 Ca 0.10 0.26 -0.30 0.00 -0.76 0.00 0.00 57.45 56.74 1bzd n PHE 87 Cb 0.60 -1.11 -0.03 0.00 0.35 0.00 0.00 39.48 39.29 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 -2.49 3.47 0.09 -5.13 3.76 -1.26 -4.97 115.29 108.75 1bzd s HIS 88 Ca -0.27 1.04 -0.10 0.00 -0.15 0.00 0.00 55.06 55.58 1bzd s HIS 88 Cb 0.07 -2.44 -0.20 0.00 1.11 0.00 0.00 32.58 31.13 1bzd s HIS 88 CO 0.67 -0.10 1.21 0.93 -0.85 0.00 0.00 174.74 176.61 1bzd h GLU 89 N 1.29 0.53 0.00 1.40 4.39 -1.98 -3.38 114.58 116.83 1bzd h GLU 89 Ca -0.47 -0.63 0.24 0.00 0.34 0.00 0.00 59.36 58.84 1bzd h GLU 89 Cb 1.19 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 1bzd h GLU 89 CO 0.64 1.25 0.69 -2.39 -1.16 0.00 0.00 179.01 178.04 1bzd n HIS 90 N -3.77 -0.72 -4.80 4.33 1.44 -1.26 -3.64 115.22 106.79 1bzd n HIS 90 Ca -0.10 -0.84 -0.32 0.00 -2.01 0.00 0.00 57.72 54.46 1bzd n HIS 90 Cb 0.90 0.39 -0.17 0.00 0.12 0.00 0.00 29.99 31.24 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 -1.91 2.19 -0.06 1.59 0.00 -0.75 -4.91 121.76 117.91 1bzd s ALA 91 Ca 0.24 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1bzd s ALA 91 Cb -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1bzd s ALA 91 CO 0.02 0.05 -0.14 -1.83 0.00 0.00 0.00 175.76 173.86 1bzd s GLU 92 N 0.70 2.57 -0.20 0.00 4.04 -1.26 -0.23 118.70 124.31 1bzd s GLU 92 Ca -0.10 -0.69 -0.00 0.00 0.04 0.00 0.00 54.97 54.22 1bzd s GLU 92 Cb -0.16 -2.40 0.05 0.00 0.02 0.00 0.00 34.13 31.64 1bzd s GLU 92 CO 0.01 0.60 -0.04 0.08 -1.84 0.00 0.00 175.26 174.07 1bzd s VAL 93 N -0.66 1.20 -0.13 1.83 1.01 1.00 -4.97 120.40 119.68 1bzd s VAL 93 Ca 0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1bzd s VAL 93 Cb -0.11 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1bzd s VAL 93 CO 0.01 -0.04 -0.12 -0.69 0.00 0.00 0.00 175.10 174.26 1bzd s VAL 94 N 1.56 3.18 0.16 2.92 1.01 -1.26 -0.93 120.40 127.04 1bzd s VAL 94 Ca -0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1bzd s VAL 94 Cb -0.17 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1bzd s VAL 94 CO -0.07 0.52 0.49 0.72 0.00 0.00 0.00 175.10 176.76 1bzd s PHE 95 N 0.28 -0.26 -0.12 5.22 -0.71 -0.87 -4.99 117.98 116.52 1bzd s PHE 95 Ca -0.09 -0.04 -0.18 0.00 -1.04 0.00 0.00 56.93 55.58 1bzd s PHE 95 Cb -0.15 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1bzd s PHE 95 CO 0.05 -0.81 0.48 0.99 -1.34 0.00 0.00 175.22 174.59 1bzd s THR 96 N -3.81 5.18 0.04 -4.49 2.01 -1.26 -0.87 115.64 112.44 1bzd s THR 96 Ca 0.05 0.95 0.06 0.00 0.31 0.00 0.00 61.69 63.06 1bzd s THR 96 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1bzd s THR 96 CO -0.09 0.32 -0.14 0.00 -0.69 0.00 0.00 174.62 174.01 1bzd s ALA 97 N 0.68 2.75 -1.12 7.40 0.00 -0.35 -4.80 121.76 126.31 1bzd s ALA 97 Ca 0.26 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1bzd s ALA 97 Cb -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1bzd s ALA 97 CO 0.10 0.59 0.00 0.09 0.00 0.00 0.00 175.76 176.54 1bzd n ASN 98 N 1.42 -3.60 0.00 0.00 3.02 -1.26 -2.99 115.26 111.85 1bzd n ASN 98 Ca -0.16 0.24 0.09 0.00 -0.03 0.00 0.00 54.58 54.73 1bzd n ASN 98 Cb 0.52 -3.18 0.56 0.00 -0.61 0.00 0.00 39.78 37.08 1bzd n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1bzd n ASP 99 N -1.28 0.00 -2.75 6.41 5.75 -1.26 -3.10 116.55 120.32 1bzd n ASP 99 Ca -0.14 -1.03 -0.02 0.00 -0.01 0.00 0.00 54.79 53.59 1bzd n ASP 99 Cb 0.53 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.70 1bzd n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bzd n SER 100 N -0.86 0.24 0.00 -1.12 3.41 -1.26 -5.10 113.62 108.93 1bzd n SER 100 Ca 0.14 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1bzd n SER 100 Cb 0.06 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1bzd n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bzd n GLY 101 N -0.89 2.77 3.77 5.00 0.00 -1.18 -5.04 105.19 109.62 1bzd n GLY 101 Ca -0.02 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1bzd n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bzd s PRO 102 N -3.70 3.50 0.22 1.61 0.04 -1.26 -4.35 135.00 131.06 1bzd s PRO 102 Ca 0.00 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1bzd s PRO 102 Cb 0.00 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1bzd s PRO 102 CO 0.00 -0.76 0.18 1.03 0.04 0.00 0.00 177.00 177.49 1bzd s ARG 103 N -2.95 1.30 -0.17 4.56 1.81 -1.26 -4.61 118.95 117.63 1bzd s ARG 103 Ca 0.68 -1.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.01 1bzd s ARG 103 Cb -0.28 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 1bzd s ARG 103 CO 0.33 -0.45 -0.02 1.03 -0.68 0.00 0.00 175.30 175.51 1bzd s ARG 104 N -4.05 3.67 -0.13 3.54 0.52 0.12 -4.80 118.95 117.81 1bzd s ARG 104 Ca 0.38 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1bzd s ARG 104 Cb 0.06 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 1bzd s ARG 104 CO 0.13 0.18 -0.14 0.71 0.02 0.00 0.00 175.30 176.21 1bzd s TYR 105 N 0.53 2.79 -0.23 -0.53 1.51 0.14 -1.25 117.35 120.30 1bzd s TYR 105 Ca -0.02 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1bzd s TYR 105 Cb -0.14 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1bzd s TYR 105 CO 0.02 -0.28 -0.12 0.99 -1.11 0.00 0.00 175.55 175.05 1bzd s THR 106 N 0.45 2.01 -0.34 -0.71 2.01 -0.84 0.23 115.64 118.45 1bzd s THR 106 Ca -0.10 -1.38 -0.13 0.00 0.31 0.00 0.00 61.69 60.39 1bzd s THR 106 Cb -0.16 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1bzd s THR 106 CO 0.05 0.10 0.27 -0.63 -0.69 0.00 0.00 174.62 173.72 1bzd s ILE 107 N 1.21 5.26 -0.02 1.82 -1.09 0.38 -1.21 121.20 127.54 1bzd s ILE 107 Ca -0.05 -0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1bzd s ILE 107 Cb -0.18 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1bzd s ILE 107 CO -0.07 -0.02 0.10 0.00 -1.23 0.00 0.00 174.94 173.72 1bzd s ALA 108 N 1.80 3.66 -0.03 9.38 0.00 0.52 -0.84 121.76 136.25 1bzd s ALA 108 Ca 0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1bzd s ALA 108 Cb -0.17 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.31 1bzd s ALA 108 CO 0.11 0.69 0.02 0.00 0.00 0.00 0.00 175.76 176.57 1bzd s ALA 109 N -1.18 0.22 -0.24 0.00 0.00 0.83 -1.30 121.76 120.09 1bzd s ALA 109 Ca 0.22 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1bzd s ALA 109 Cb -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1bzd s ALA 109 CO 0.13 -0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.56 1bzd s LEU 110 N 1.17 3.10 0.00 0.00 2.96 -0.42 -0.06 118.68 125.44 1bzd s LEU 110 Ca -0.08 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1bzd s LEU 110 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1bzd s LEU 110 CO -0.02 -0.07 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.14 1bzd s LEU 111 N 1.46 3.32 0.03 -0.68 1.43 0.11 -1.61 118.68 122.74 1bzd s LEU 111 Ca 0.04 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1bzd s LEU 111 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1bzd s LEU 111 CO -0.02 0.28 0.10 -0.44 0.23 0.00 0.00 176.35 176.50 1bzd s SER 112 N -1.49 0.13 0.24 2.29 0.01 0.61 -0.20 113.70 115.28 1bzd s SER 112 Ca 0.18 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.95 1bzd s SER 112 Cb -0.11 0.21 0.41 0.00 0.21 0.00 0.00 66.02 66.74 1bzd s SER 112 CO 0.09 -0.45 1.67 -0.65 0.41 0.00 0.00 173.24 174.30 1bzd h PRO 113 N 3.91 0.17 -0.35 12.44 0.11 -1.99 -2.45 132.00 143.85 1bzd h PRO 113 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1bzd h PRO 113 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bzd h PRO 113 CO 0.47 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 179.03 1bzd n TYR 114 N -5.24 0.93 -3.53 0.65 4.02 -1.26 -1.64 117.16 111.09 1bzd n TYR 114 Ca 0.13 -0.73 -0.17 0.00 -0.01 0.00 0.00 57.90 57.11 1bzd n TYR 114 Cb 0.44 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.48 -0.65 -0.14 7.72 0.15 -0.92 -4.97 113.70 113.40 1bzd s SER 115 Ca 0.38 0.75 -0.16 0.00 0.70 0.00 0.00 55.95 57.62 1bzd s SER 115 Cb 0.28 0.59 0.04 0.00 -1.71 0.00 0.00 66.02 65.22 1bzd s SER 115 CO 0.13 -0.58 0.44 -0.72 1.20 0.00 0.00 173.24 173.71 1bzd s TYR 116 N -1.09 -0.45 0.02 3.44 -0.85 -1.26 -0.28 117.35 116.87 1bzd s TYR 116 Ca -0.10 1.05 0.07 0.00 -0.52 0.00 0.00 57.07 57.57 1bzd s TYR 116 Cb -0.00 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1bzd s TYR 116 CO 0.09 -0.28 -0.21 -1.12 -1.52 0.00 0.00 175.55 172.51 1bzd s SER 117 N -0.07 3.51 -0.02 -0.18 0.01 -0.63 -4.99 113.70 111.33 1bzd s SER 117 Ca -0.03 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1bzd s SER 117 Cb -0.03 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.69 1bzd s SER 117 CO 0.02 0.28 -0.09 0.28 0.41 0.00 0.00 173.24 174.14 1bzd s THR 118 N -0.80 0.77 0.07 1.44 -1.32 -1.26 -1.30 115.64 113.24 1bzd s THR 118 Ca 0.12 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.26 1bzd s THR 118 Cb -0.10 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.19 1bzd s THR 118 CO 0.02 0.23 -0.09 0.28 -2.21 0.00 0.00 174.62 172.86 1bzd s THR 119 N 0.06 0.75 -0.03 5.08 -1.32 -0.42 -5.00 115.64 114.76 1bzd s THR 119 Ca -0.01 -1.40 0.07 0.00 -1.21 0.00 0.00 61.69 59.15 1bzd s THR 119 Cb -0.07 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 1bzd s THR 119 CO 0.00 -0.49 -0.24 0.00 -2.21 0.00 0.00 174.62 171.68 1bzd s ALA 120 N -2.01 2.22 -0.19 11.08 0.00 -1.26 -0.36 121.76 131.24 1bzd s ALA 120 Ca -0.01 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1bzd s ALA 120 Cb -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1bzd s ALA 120 CO -0.00 0.50 -0.16 0.08 0.00 0.00 0.00 175.76 176.18 1bzd s VAL 121 N -0.50 2.42 -0.12 0.00 1.01 -0.35 -4.99 120.40 117.87 1bzd s VAL 121 Ca 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1bzd s VAL 121 Cb -0.11 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1bzd s VAL 121 CO 0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1bzd s VAL 122 N 1.34 3.33 0.02 2.92 1.01 -1.26 -2.00 120.40 125.76 1bzd s VAL 122 Ca 0.05 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1bzd s VAL 122 Cb -0.13 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1bzd s VAL 122 CO -0.10 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 1bzd s THR 123 N 0.11 1.47 -0.40 3.92 2.01 -0.38 -4.96 115.64 117.40 1bzd s THR 123 Ca -0.04 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 1bzd s THR 123 Cb -0.14 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1bzd s THR 123 CO 0.04 0.26 0.36 0.21 -0.69 0.00 0.00 174.62 174.79 1bzd s ASN 124 N -0.84 6.15 0.94 3.53 3.04 -1.26 0.11 114.94 126.61 1bzd s ASN 124 Ca 0.06 -0.71 -0.13 0.00 0.04 0.00 0.00 52.86 52.12 1bzd s ASN 124 Cb -0.08 -2.19 0.04 0.00 -1.54 0.00 0.00 41.25 37.48 1bzd s ASN 124 CO 0.01 -0.48 0.44 -0.81 -3.04 0.00 0.00 177.10 173.22 1bzd n PRO 125 N 5.36 -0.27 -3.67 0.43 -0.04 -1.26 -4.99 135.00 130.55 1bzd n PRO 125 Ca -0.09 -0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 1bzd n PRO 125 Cb 0.48 -1.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.97 1bzd n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bzd s LYS 126 N -3.65 0.61 0.00 0.54 2.20 -1.26 -5.13 119.74 113.06 1bzd s LYS 126 Ca 0.58 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1bzd s LYS 126 Cb -0.22 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1bzd s LYS 126 CO 0.67 -0.13 0.00 -1.91 -0.36 0.00 0.00 175.35 173.61