#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bze n PRO 2 N 0.00 0.01 -3.53 1.61 -0.02 -1.25 -4.70 135.00 127.11 1bze n PRO 2 Ca 0.00 -0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 60.68 1bze n PRO 2 Cb 0.00 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1bze n PRO 2 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1bze s THR 3 N 6.37 0.00 0.00 3.45 2.01 -1.22 -2.56 115.64 123.69 1bze s THR 3 Ca 0.44 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1bze s THR 3 Cb 0.07 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1bze s THR 3 CO 0.20 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1bze n GLY 4 N -0.40 3.58 0.77 4.40 0.00 0.36 -4.50 105.19 109.40 1bze n GLY 4 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1bze n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bze n THR 5 N 0.00 0.53 -2.68 2.61 -1.04 0.37 -4.53 114.28 109.54 1bze n THR 5 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1bze n THR 5 Cb 0.00 -0.76 0.04 0.00 -1.82 0.00 0.00 70.33 67.79 1bze n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bze n GLY 6 N 0.28 -1.60 3.57 3.41 0.00 0.07 -4.41 105.19 106.51 1bze n GLY 6 Ca 0.00 1.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.84 1bze n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bze s GLU 7 N 0.84 3.23 0.00 1.61 2.56 -1.25 -4.00 118.70 121.69 1bze s GLU 7 Ca 0.25 -1.34 0.00 0.00 0.00 0.00 0.00 54.97 53.88 1bze s GLU 7 Cb 0.13 -5.34 0.00 0.00 2.00 0.00 0.00 34.13 30.92 1bze s GLU 7 CO -0.10 -2.98 0.00 0.43 -0.56 0.00 0.00 175.26 172.05 1bze n SER 8 N 11.24 1.42 -0.51 -1.70 7.64 -1.26 -5.03 113.62 125.43 1bze n SER 8 Ca 0.44 0.00 0.39 0.00 1.01 0.00 0.00 58.87 60.70 1bze n SER 8 Cb 0.47 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.27 1bze n SER 8 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1bze n LYS 9 N 0.00 -0.00 -3.36 1.43 3.00 -1.26 -4.84 118.16 113.12 1bze n LYS 9 Ca 0.00 0.83 -0.19 0.00 -0.00 0.00 0.00 58.31 58.95 1bze n LYS 9 Cb 0.00 -1.87 0.06 0.00 0.00 0.00 0.00 35.03 33.22 1bze n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bze n PRO 11 N -3.39 0.00 -3.72 0.00 -0.02 -1.26 -4.75 135.00 121.86 1bze n PRO 11 Ca -0.07 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.26 1bze n PRO 11 Cb 0.60 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.44 1bze n PRO 11 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bze s LEU 12 N -3.00 0.48 0.05 2.45 2.96 -1.26 -0.93 118.68 119.43 1bze s LEU 12 Ca 0.14 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1bze s LEU 12 Cb 0.19 0.37 -0.03 0.00 0.50 0.00 0.00 46.19 47.22 1bze s LEU 12 CO 0.55 -0.18 -0.07 -0.32 -1.32 0.00 0.00 176.35 175.01 1bze s MET 13 N 1.49 0.54 -0.08 1.98 -2.45 0.34 -4.42 119.30 116.71 1bze s MET 13 Ca -0.06 -0.81 0.03 0.00 -1.25 0.00 0.00 55.69 53.60 1bze s MET 13 Cb -0.12 -0.24 0.01 0.00 1.25 0.00 0.00 34.83 35.73 1bze s MET 13 CO -0.06 0.03 -0.17 0.08 1.05 0.00 0.00 175.02 175.95 1bze s VAL 14 N -1.67 1.53 -0.07 10.11 1.01 -1.01 -0.92 120.40 129.38 1bze s VAL 14 Ca -0.08 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1bze s VAL 14 Cb -0.08 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1bze s VAL 14 CO -0.00 0.44 -0.13 -0.75 0.00 0.00 0.00 175.10 174.66 1bze s LYS 15 N 0.46 1.82 -0.10 2.72 2.20 -0.61 -0.76 119.74 125.47 1bze s LYS 15 Ca -0.15 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1bze s LYS 15 Cb -0.16 -1.51 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 1bze s LYS 15 CO 0.06 0.02 -0.20 0.08 -0.36 0.00 0.00 175.35 174.94 1bze s VAL 16 N 0.71 1.81 0.11 4.02 1.01 0.64 -1.15 120.40 127.55 1bze s VAL 16 Ca -0.13 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.09 1bze s VAL 16 Cb -0.16 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1bze s VAL 16 CO 0.03 0.50 -0.25 -0.76 0.00 0.00 0.00 175.10 174.62 1bze s LEU 17 N 0.60 2.30 -0.38 3.92 1.43 0.17 -0.92 118.68 125.80 1bze s LEU 17 Ca -0.14 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.12 1bze s LEU 17 Cb -0.17 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 44.95 1bze s LEU 17 CO 0.04 0.15 0.25 -0.62 0.23 0.00 0.00 176.35 176.40 1bze s ASP 18 N -1.93 5.90 0.00 2.29 -1.08 -0.21 -0.08 116.67 121.56 1bze s ASP 18 Ca 0.12 -0.89 0.29 0.00 -0.52 0.00 0.00 52.55 51.54 1bze s ASP 18 Cb -0.10 -2.09 1.42 0.00 -1.46 0.00 0.00 42.92 40.69 1bze s ASP 18 CO 0.05 -0.39 1.99 0.00 0.52 0.00 0.00 175.17 177.34 1bze n ALA 19 N 5.07 2.41 0.06 3.66 0.00 0.10 -0.91 120.51 130.91 1bze n ALA 19 Ca -0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1bze n ALA 19 Cb 0.47 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 1bze n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bze h VAL 20 N 0.00 0.92 0.00 0.00 2.07 -1.94 -3.39 116.25 113.91 1bze h VAL 20 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1bze h VAL 20 Cb 0.32 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1bze h VAL 20 CO 0.00 0.85 -0.85 0.54 0.02 0.00 0.00 177.57 178.13 1bze n ARG 21 N -3.61 1.83 -2.98 1.57 1.74 -1.23 -5.00 116.66 108.98 1bze n ARG 21 Ca -0.25 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.69 1bze n ARG 21 Cb 1.06 -1.23 0.04 0.00 -1.02 0.00 0.00 32.46 31.32 1bze n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bze n GLY 22 N 1.39 0.12 3.22 -0.13 0.00 -0.08 -5.03 105.19 104.68 1bze n GLY 22 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1bze n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bze s SER 23 N -3.33 0.30 0.67 1.61 1.04 -1.14 -5.01 113.70 107.85 1bze s SER 23 Ca 0.22 -1.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.11 1bze s SER 23 Cb -0.10 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1bze s SER 23 CO 0.38 -0.88 1.07 -2.84 0.98 0.00 0.00 173.24 171.96 1bze s PRO 24 N -4.07 2.94 -0.47 4.02 0.02 -1.26 -1.04 135.00 135.13 1bze s PRO 24 Ca 0.39 1.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.33 1bze s PRO 24 Cb 0.06 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.64 1bze s PRO 24 CO 0.14 -1.11 0.54 0.00 -0.33 0.00 0.00 177.00 176.24 1bze s ALA 25 N -2.77 3.42 0.09 -1.55 0.00 -0.09 -4.55 121.76 116.30 1bze s ALA 25 Ca 0.61 -1.66 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 1bze s ALA 25 Cb -0.16 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1bze s ALA 25 CO 0.48 -1.82 0.47 0.42 0.00 0.00 0.00 175.76 175.31 1bze s ILE 26 N 2.37 4.96 -0.96 0.00 1.01 -1.26 -4.28 121.20 123.03 1bze s ILE 26 Ca 0.14 0.73 -0.06 0.00 0.00 0.00 0.00 60.65 61.46 1bze s ILE 26 Cb -0.19 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1bze s ILE 26 CO 0.12 0.35 0.76 0.59 0.00 0.00 0.00 174.94 176.77 1bze n ASN 27 N 1.11 -5.01 -4.78 3.58 4.13 -0.48 -4.93 115.26 108.88 1bze n ASN 27 Ca -0.08 -0.35 -0.37 0.00 1.68 0.00 0.00 54.58 55.46 1bze n ASN 27 Cb 0.52 -3.64 -0.06 0.00 -1.54 0.00 0.00 39.78 35.06 1bze n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1bze s VAL 28 N -3.18 5.19 0.17 2.41 1.01 -1.26 -4.73 120.40 120.00 1bze s VAL 28 Ca 0.38 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1bze s VAL 28 Cb -0.17 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1bze s VAL 28 CO 0.47 0.47 0.92 0.00 0.00 0.00 0.00 175.10 176.96 1bze s ALA 29 N -0.22 3.31 -0.03 5.51 0.00 -1.26 -1.00 121.76 128.07 1bze s ALA 29 Ca 0.21 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1bze s ALA 29 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1bze s ALA 29 CO 0.09 0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.94 1bze s VAL 30 N -0.61 0.87 -0.10 0.00 1.01 -0.10 -1.29 120.40 120.19 1bze s VAL 30 Ca 0.43 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1bze s VAL 30 Cb -0.24 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1bze s VAL 30 CO 0.30 0.27 -0.14 -1.00 0.00 0.00 0.00 175.10 174.53 1bze s HIS 31 N 0.28 1.83 -0.08 5.22 3.76 -0.39 -1.34 115.29 124.56 1bze s HIS 31 Ca -0.05 -0.84 -0.03 0.00 -0.15 0.00 0.00 55.06 53.99 1bze s HIS 31 Cb -0.10 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 1bze s HIS 31 CO 0.01 -0.45 0.05 0.08 -0.85 0.00 0.00 174.74 173.58 1bze s VAL 32 N 1.01 4.72 0.08 -0.90 1.01 0.20 -1.12 120.40 125.40 1bze s VAL 32 Ca -0.07 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1bze s VAL 32 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1bze s VAL 32 CO -0.01 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.16 1bze s PHE 33 N -0.97 1.20 -0.02 5.22 0.08 0.84 -1.02 117.98 123.32 1bze s PHE 33 Ca 0.15 -0.48 0.07 0.00 0.12 0.00 0.00 56.93 56.79 1bze s PHE 33 Cb -0.12 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1bze s PHE 33 CO 0.04 0.06 -0.22 0.50 -0.10 0.00 0.00 175.22 175.50 1bze s ARG 34 N -1.87 2.20 -0.01 0.44 3.52 -0.47 -0.62 118.95 122.14 1bze s ARG 34 Ca -0.01 -0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 54.43 1bze s ARG 34 Cb -0.09 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1bze s ARG 34 CO 0.02 0.57 0.88 0.21 -0.81 0.00 0.00 175.30 176.17 1bze s LYS 35 N -0.78 4.53 0.41 5.12 2.20 -0.42 -0.59 119.74 130.21 1bze s LYS 35 Ca 0.11 1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.95 1bze s LYS 35 Cb -0.10 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 1bze s LYS 35 CO 0.00 0.04 0.64 0.00 -0.36 0.00 0.00 175.35 175.67 1bze s ALA 36 N 0.76 3.67 0.49 3.13 0.00 -0.20 -4.75 121.76 124.87 1bze s ALA 36 Ca 0.46 -0.90 0.14 0.00 0.00 0.00 0.00 51.96 51.66 1bze s ALA 36 Cb -0.20 -2.20 1.17 0.00 0.00 0.00 0.00 23.12 21.89 1bze s ALA 36 CO 0.25 -0.22 2.12 0.00 0.00 0.00 0.00 175.76 177.91 1bze h ALA 37 N 0.52 1.95 0.00 0.00 0.00 -1.97 0.89 119.26 120.65 1bze h ALA 37 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bze h ALA 37 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bze h ALA 37 CO 0.60 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1bze n ASP 38 N -4.52 0.00 -3.84 0.00 5.75 -1.26 -4.85 116.55 107.84 1bze n ASP 38 Ca -0.01 -1.39 -0.27 0.00 -0.01 0.00 0.00 54.79 53.11 1bze n ASP 38 Cb 0.10 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1bze n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bze n ASP 39 N -0.56 -1.88 -4.37 -1.12 9.92 0.31 -5.01 116.55 113.83 1bze n ASP 39 Ca 0.02 -0.99 -0.19 0.00 -0.53 0.00 0.00 54.79 53.10 1bze n ASP 39 Cb 0.01 -3.27 -0.10 0.00 -0.64 0.00 0.00 41.12 37.11 1bze n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1bze s THR 40 N -3.77 1.48 -0.56 -3.53 -4.23 -1.25 -4.88 115.64 98.89 1bze s THR 40 Ca 0.14 -2.11 -0.21 0.00 -1.18 0.00 0.00 61.69 58.33 1bze s THR 40 Cb -0.05 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.55 1bze s THR 40 CO 0.87 -0.40 0.78 0.26 -0.54 0.00 0.00 174.62 175.60 1bze s TRP 41 N -3.13 2.90 -0.07 3.99 0.52 -1.26 -1.03 118.94 120.86 1bze s TRP 41 Ca 0.27 -0.50 -0.23 0.00 0.02 0.00 0.00 56.10 55.65 1bze s TRP 41 Cb 0.03 -3.91 -0.04 0.00 -1.15 0.00 0.00 33.47 28.41 1bze s TRP 41 CO 0.09 -1.28 0.70 -1.83 0.02 0.00 0.00 176.95 174.65 1bze s GLU 42 N 3.24 4.43 0.44 4.98 -1.05 0.24 -4.86 118.70 126.13 1bze s GLU 42 Ca 0.19 0.87 -0.23 0.00 -0.15 0.00 0.00 54.97 55.66 1bze s GLU 42 Cb -0.18 -3.45 -0.11 0.00 -0.44 0.00 0.00 34.13 29.95 1bze s GLU 42 CO 0.12 0.06 0.82 -2.30 0.95 0.00 0.00 175.26 174.90 1bze n PRO 43 N 3.81 0.98 0.04 -4.83 -0.02 -1.26 -1.37 135.00 132.35 1bze n PRO 43 Ca -0.01 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1bze n PRO 43 Cb 0.51 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1bze n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bze n PHE 44 N -0.77 -0.54 -3.60 6.00 7.35 -0.19 -4.73 117.46 120.99 1bze n PHE 44 Ca 0.11 0.10 -0.11 0.00 -0.76 0.00 0.00 57.45 56.79 1bze n PHE 44 Cb 0.40 0.30 -0.04 0.00 0.35 0.00 0.00 39.48 40.49 1bze n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bze s ALA 45 N -2.00 -1.05 0.12 3.13 0.00 -1.02 -4.75 121.76 116.18 1bze s ALA 45 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 1bze s ALA 45 Cb 0.00 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.91 1bze s ALA 45 CO 0.00 -0.66 0.79 -1.54 0.00 0.00 0.00 175.76 174.35 1bze s SER 46 N -2.78 -0.37 0.00 0.00 1.04 -1.26 0.60 113.70 110.92 1bze s SER 46 Ca 0.02 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1bze s SER 46 Cb 0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1bze s SER 46 CO -0.12 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1bze n GLY 47 N -0.36 -1.26 3.28 7.32 0.00 -0.45 -4.21 105.19 109.51 1bze n GLY 47 Ca -0.10 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1bze n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bze s LYS 48 N -1.06 2.20 0.53 1.61 -0.14 -1.26 -0.92 119.74 120.71 1bze s LYS 48 Ca 0.00 -0.89 -0.21 0.00 -1.36 0.00 0.00 55.97 53.51 1bze s LYS 48 Cb 0.00 -2.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.08 1bze s LYS 48 CO 0.00 0.48 1.25 0.95 -0.76 0.00 0.00 175.35 177.27 1bze s THR 49 N -0.43 2.58 0.14 2.17 -4.23 -0.17 -3.87 115.64 111.84 1bze s THR 49 Ca 0.05 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1bze s THR 49 Cb -0.11 -3.20 0.03 0.00 1.34 0.00 0.00 72.50 70.57 1bze s THR 49 CO 0.01 -0.03 0.17 -1.54 -0.54 0.00 0.00 174.62 172.68 1bze n SER 50 N -1.04 -0.45 0.25 3.99 3.41 0.27 -1.38 113.62 118.68 1bze n SER 50 Ca 0.10 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 57.93 1bze n SER 50 Cb 0.47 -0.14 0.62 0.00 -0.26 0.00 0.00 64.21 64.91 1bze n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bze h GLU 51 N 0.00 0.00 -0.61 4.33 4.39 -1.93 -1.23 114.58 119.52 1bze h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1bze h GLU 51 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1bze h GLU 51 CO 0.04 0.14 0.00 -1.13 -1.16 0.00 0.00 179.01 176.90 1bze n SER 52 N -4.06 3.52 -1.43 1.42 3.41 -1.26 -4.74 113.62 110.48 1bze n SER 52 Ca -0.02 -2.33 -0.17 0.00 -0.26 0.00 0.00 58.87 56.09 1bze n SER 52 Cb 0.22 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 1bze n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bze n GLY 53 N 0.86 1.37 3.67 5.00 0.00 -0.46 -4.84 105.19 110.79 1bze n GLY 53 Ca 0.18 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1bze n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bze s GLU 54 N -3.69 2.35 -0.11 1.61 2.02 -1.26 -0.26 118.70 119.36 1bze s GLU 54 Ca 0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 1bze s GLU 54 Cb 0.00 -2.19 0.05 0.00 0.10 0.00 0.00 34.13 32.10 1bze s GLU 54 CO 0.00 0.32 0.15 -1.17 0.02 0.00 0.00 175.26 174.58 1bze s LEU 55 N -3.72 -0.02 0.00 1.80 0.20 0.06 -0.56 118.68 116.45 1bze s LEU 55 Ca 0.33 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.27 1bze s LEU 55 Cb -0.06 0.20 0.00 0.00 -0.43 0.00 0.00 46.19 45.90 1bze s LEU 55 CO 0.21 -0.27 0.00 1.41 -0.29 0.00 0.00 176.35 177.41 1bze n HIS 56 N 5.32 0.36 -2.50 5.38 8.25 -1.06 -2.40 115.22 128.57 1bze n HIS 56 Ca -0.05 -0.82 -0.14 0.00 -0.26 0.00 0.00 57.72 56.45 1bze n HIS 56 Cb 0.50 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 1bze n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bze n GLY 57 N 3.00 -0.50 0.24 -1.41 0.00 -1.26 -2.68 105.19 102.58 1bze n GLY 57 Ca -0.07 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1bze n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bze h LEU 58 N -0.09 0.97 0.00 0.99 3.38 -1.77 1.10 115.31 119.89 1bze h LEU 58 Ca -0.32 -0.55 -0.25 0.00 0.09 0.00 0.00 57.88 56.85 1bze h LEU 58 Cb 1.24 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1bze h LEU 58 CO 0.38 1.35 -0.21 1.07 0.09 0.00 0.00 178.44 181.12 1bze n THR 59 N -3.99 0.00 -4.30 0.22 5.66 -1.26 0.14 114.28 110.76 1bze n THR 59 Ca -0.05 -1.40 -0.20 0.00 -3.05 0.00 0.00 64.05 59.35 1bze n THR 59 Cb 0.66 0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 70.09 1bze n THR 59 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1bze s THR 60 N -2.79 1.60 0.18 1.09 2.01 -1.26 -4.11 115.64 112.36 1bze s THR 60 Ca 0.23 -1.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.21 1bze s THR 60 Cb 0.00 -1.76 0.09 0.00 0.01 0.00 0.00 72.50 70.85 1bze s THR 60 CO 0.16 -0.41 1.78 -0.08 -0.69 0.00 0.00 174.62 175.39 1bze h GLU 61 N 3.23 0.49 -0.06 4.92 4.81 -1.93 0.14 114.58 126.17 1bze h GLU 61 Ca -0.40 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1bze h GLU 61 Cb 1.20 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1bze h GLU 61 CO 0.53 0.32 -0.34 0.93 -0.73 0.00 0.00 179.01 179.72 1bze h GLU 62 N 0.50 0.12 0.20 1.92 3.07 -2.03 -3.11 114.58 115.24 1bze h GLU 62 Ca 0.24 -0.05 -0.31 0.00 -0.50 0.00 0.00 59.36 58.74 1bze h GLU 62 Cb 0.16 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1bze h GLU 62 CO -0.17 0.45 -1.37 0.93 -1.40 0.00 0.00 179.01 177.45 1bze h GLU 63 N 0.11 0.50 -5.47 2.33 5.08 -1.86 -3.41 114.58 111.86 1bze h GLU 63 Ca 0.01 -0.80 -0.46 0.00 -1.00 0.00 0.00 59.36 57.11 1bze h GLU 63 Cb 0.66 0.29 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1bze h GLU 63 CO 0.05 1.38 1.53 0.34 -1.00 0.00 0.00 179.01 181.30 1bze n PHE 64 N -3.70 3.24 -3.01 4.33 7.35 0.45 -4.95 117.46 121.17 1bze n PHE 64 Ca -0.14 -1.91 -0.23 0.00 -0.76 0.00 0.00 57.45 54.41 1bze n PHE 64 Cb 1.06 -2.57 0.01 0.00 0.35 0.00 0.00 39.48 38.33 1bze n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1bze s VAL 65 N 8.55 3.97 0.42 -2.13 -7.23 -1.26 -4.93 120.40 117.79 1bze s VAL 65 Ca 0.63 -0.53 -0.23 0.00 -1.81 0.00 0.00 61.98 60.03 1bze s VAL 65 Cb 0.02 -3.46 -0.11 0.00 0.56 0.00 0.00 36.38 33.39 1bze s VAL 65 CO 0.11 -0.32 0.85 -0.62 -0.31 0.00 0.00 175.10 174.82 1bze n GLU 66 N -2.06 1.04 -3.82 4.82 1.02 -1.26 -4.89 120.64 115.49 1bze n GLU 66 Ca 0.01 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1bze n GLU 66 Cb 0.58 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1bze n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bze n GLY 67 N 1.40 -1.21 3.30 0.62 0.00 -0.95 -4.98 105.19 103.36 1bze n GLY 67 Ca 0.10 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1bze n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bze s ILE 68 N -3.00 3.17 0.15 -0.61 1.01 -1.26 -1.03 121.20 119.63 1bze s ILE 68 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.17 1bze s ILE 68 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1bze s ILE 68 CO 0.00 0.45 -0.16 -0.31 0.00 0.00 0.00 174.94 174.92 1bze s TYR 69 N 1.30 2.53 -0.09 3.97 1.51 -0.08 -1.31 117.35 125.18 1bze s TYR 69 Ca 0.04 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1bze s TYR 69 Cb -0.14 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1bze s TYR 69 CO -0.03 0.45 -0.08 0.21 -1.11 0.00 0.00 175.55 174.98 1bze s LYS 70 N -2.46 1.48 -0.20 -0.62 2.20 0.21 -0.71 119.74 119.64 1bze s LYS 70 Ca 0.21 -0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.49 1bze s LYS 70 Cb -0.10 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 1bze s LYS 70 CO 0.12 -0.17 0.02 0.08 -0.36 0.00 0.00 175.35 175.04 1bze s VAL 71 N 1.37 4.16 -0.19 4.02 1.01 0.51 -0.11 120.40 131.17 1bze s VAL 71 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1bze s VAL 71 Cb -0.14 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1bze s VAL 71 CO -0.04 0.42 -0.18 -0.70 0.00 0.00 0.00 175.10 174.60 1bze s GLU 72 N 0.97 2.78 -0.23 2.72 2.12 -0.28 -0.48 118.70 126.32 1bze s GLU 72 Ca 0.02 -0.87 -0.08 0.00 0.36 0.00 0.00 54.97 54.40 1bze s GLU 72 Cb -0.14 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1bze s GLU 72 CO 0.02 -0.27 0.09 0.42 -0.54 0.00 0.00 175.26 174.98 1bze s ILE 73 N 1.29 4.68 -1.32 -3.70 1.09 0.19 -1.26 121.20 122.17 1bze s ILE 73 Ca 0.03 -0.06 -0.17 0.00 -1.10 0.00 0.00 60.65 59.35 1bze s ILE 73 Cb -0.14 -3.17 0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1bze s ILE 73 CO -0.12 0.37 1.89 -0.67 -0.10 0.00 0.00 174.94 176.32 1bze n ASP 74 N 4.38 4.43 0.05 3.58 2.03 -0.41 -0.74 116.55 129.87 1bze n ASP 74 Ca -0.16 -2.87 -0.06 0.00 0.52 0.00 0.00 54.79 52.22 1bze n ASP 74 Cb 0.52 -1.70 0.13 0.00 -0.72 0.00 0.00 41.12 39.35 1bze n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bze h THR 75 N 5.15 1.33 -0.80 5.18 1.35 -1.87 -3.25 112.91 120.00 1bze h THR 75 Ca 0.46 -1.72 0.01 0.00 -0.55 0.00 0.00 66.41 64.62 1bze h THR 75 Cb 0.81 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.94 1bze h THR 75 CO 1.58 0.52 0.53 0.50 -0.25 0.00 0.00 175.52 178.40 1bze h LYS 76 N 0.31 1.04 -0.56 4.72 3.64 -1.77 -1.61 116.57 122.35 1bze h LYS 76 Ca 0.01 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1bze h LYS 76 Cb 0.97 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1bze h LYS 76 CO 0.08 0.69 -0.05 0.77 -2.27 0.00 0.00 179.45 178.67 1bze h SER 77 N 1.07 1.01 -0.16 4.20 0.02 -1.87 -2.02 113.55 115.81 1bze h SER 77 Ca 0.30 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1bze h SER 77 Cb -0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 1bze h SER 77 CO -0.07 1.10 0.01 0.22 -1.14 0.00 0.00 176.83 176.94 1bze h TYR 78 N 0.90 0.00 -0.21 3.45 3.20 -1.40 -2.01 116.97 120.90 1bze h TYR 78 Ca 0.15 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 1bze h TYR 78 Cb 0.61 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1bze h TYR 78 CO 0.04 -0.01 -0.32 -1.49 -1.64 0.00 0.00 178.16 174.74 1bze h TRP 79 N 0.06 0.49 -0.40 -3.82 4.06 -1.27 -2.89 115.95 112.17 1bze h TRP 79 Ca 0.07 -0.12 -0.05 0.00 2.06 0.00 0.00 58.89 60.86 1bze h TRP 79 Cb 0.08 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1bze h TRP 79 CO -0.15 0.71 0.06 0.87 -3.56 0.00 0.00 178.44 176.37 1bze h LYS 80 N 0.37 0.61 -0.30 0.49 1.57 -1.05 -1.05 116.57 117.21 1bze h LYS 80 Ca 0.05 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1bze h LYS 80 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1bze h LYS 80 CO 0.06 0.59 -0.01 0.00 -0.57 0.00 0.00 179.45 179.52 1bze h ALA 81 N 1.48 1.43 -0.00 3.86 0.00 -1.16 -0.72 119.26 124.15 1bze h ALA 81 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bze h ALA 81 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bze h ALA 81 CO 0.00 0.40 -0.02 1.28 0.00 0.00 0.00 179.25 180.92 1bze n LEU 82 N -4.30 0.10 -0.70 0.00 4.32 -0.48 -4.89 117.00 111.05 1bze n LEU 82 Ca 0.01 0.14 -0.07 0.00 -0.02 0.00 0.00 56.01 56.07 1bze n LEU 82 Cb 0.23 -0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1bze n LEU 82 CO 0.38 0.02 -0.08 0.61 -1.22 0.00 0.00 177.39 177.10 1bze n GLY 83 N 1.19 0.51 3.34 -0.72 0.00 -0.28 -5.02 105.19 104.23 1bze n GLY 83 Ca 0.17 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1bze n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bze s ILE 84 N -2.32 2.84 -0.23 -0.61 1.01 -0.74 -5.02 121.20 116.13 1bze s ILE 84 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1bze s ILE 84 Cb 0.00 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1bze s ILE 84 CO 0.00 0.54 1.26 -0.55 0.00 0.00 0.00 174.94 176.18 1bze s SER 85 N 0.28 6.84 0.61 3.58 0.15 -1.26 -3.86 113.70 120.05 1bze s SER 85 Ca -0.11 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1bze s SER 85 Cb -0.16 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1bze s SER 85 CO 0.06 -0.89 0.85 -2.16 1.20 0.00 0.00 173.24 172.31 1bze s PRO 86 N 3.76 2.24 -0.24 5.44 0.04 -1.26 -4.92 135.00 140.06 1bze s PRO 86 Ca 0.54 -0.91 -0.08 0.00 0.04 0.00 0.00 61.00 60.60 1bze s PRO 86 Cb -0.19 -2.43 -0.12 0.00 0.04 0.00 0.00 34.50 31.79 1bze s PRO 86 CO 0.17 -0.97 -0.28 0.34 0.04 0.00 0.00 177.00 176.30 1bze n PHE 87 N -2.51 0.00 -2.51 0.56 7.35 -0.89 -5.02 117.46 114.43 1bze n PHE 87 Ca 0.11 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.47 1bze n PHE 87 Cb 0.60 -0.89 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 1bze n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1bze s HIS 88 N -2.46 3.43 0.10 -5.13 3.76 -1.26 -4.96 115.29 108.76 1bze s HIS 88 Ca -0.34 1.46 -0.02 0.00 -0.15 0.00 0.00 55.06 56.02 1bze s HIS 88 Cb 0.12 -2.78 -0.22 0.00 1.11 0.00 0.00 32.58 30.81 1bze s HIS 88 CO 0.47 -0.30 1.21 0.93 -0.85 0.00 0.00 174.74 176.20 1bze h GLU 89 N 1.14 0.24 -2.08 1.40 4.39 -1.97 -3.39 114.58 114.31 1bze h GLU 89 Ca -0.47 -0.37 0.30 0.00 0.34 0.00 0.00 59.36 59.16 1bze h GLU 89 Cb 1.18 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.89 1bze h GLU 89 CO 0.62 1.15 0.82 -3.38 -1.16 0.00 0.00 179.01 177.05 1bze s HIS 90 N -2.81 0.02 -0.01 4.33 -3.43 -1.26 -3.86 115.29 108.27 1bze s HIS 90 Ca -0.03 -0.19 0.08 0.00 -0.80 0.00 0.00 55.06 54.11 1bze s HIS 90 Cb 0.08 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1bze s HIS 90 CO 0.87 -0.41 -0.25 0.00 -2.00 0.00 0.00 174.74 172.95 1bze s ALA 91 N -2.15 2.23 0.06 -1.38 0.00 0.08 -4.86 121.76 115.73 1bze s ALA 91 Ca 0.25 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1bze s ALA 91 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1bze s ALA 91 CO -0.00 0.53 -0.12 -1.21 0.00 0.00 0.00 175.76 174.96 1bze s GLU 92 N -0.72 0.74 -0.15 0.00 2.02 -1.26 0.53 118.70 119.86 1bze s GLU 92 Ca 0.10 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1bze s GLU 92 Cb -0.10 -0.67 0.04 0.00 0.10 0.00 0.00 34.13 33.50 1bze s GLU 92 CO -0.00 0.15 -0.01 0.08 0.02 0.00 0.00 175.26 175.49 1bze s VAL 93 N -1.24 0.75 -0.18 2.63 1.01 0.37 -4.97 120.40 118.77 1bze s VAL 93 Ca -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1bze s VAL 93 Cb -0.10 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1bze s VAL 93 CO 0.02 0.07 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 1bze s VAL 94 N 1.79 3.52 0.10 2.92 1.01 -1.26 -0.37 120.40 128.10 1bze s VAL 94 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1bze s VAL 94 Cb -0.15 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1bze s VAL 94 CO -0.07 0.46 0.30 0.72 0.00 0.00 0.00 175.10 176.51 1bze s PHE 95 N 0.93 -0.05 -0.34 5.22 -0.71 0.11 -4.99 117.98 118.16 1bze s PHE 95 Ca -0.01 -0.29 -0.13 0.00 -1.04 0.00 0.00 56.93 55.47 1bze s PHE 95 Cb -0.15 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1bze s PHE 95 CO 0.01 -0.61 0.25 0.99 -1.34 0.00 0.00 175.22 174.52 1bze s THR 96 N -3.62 5.27 -0.20 -4.49 2.01 -1.26 -0.90 115.64 112.44 1bze s THR 96 Ca 0.02 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 1bze s THR 96 Cb 0.03 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1bze s THR 96 CO -0.10 0.00 0.76 0.00 -0.69 0.00 0.00 174.62 174.59 1bze s ALA 97 N 1.76 3.57 0.27 7.40 0.00 -0.20 -4.95 121.76 129.62 1bze s ALA 97 Ca 0.07 -0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.01 1bze s ALA 97 Cb -0.17 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1bze s ALA 97 CO 0.11 -0.72 -0.11 -0.80 0.00 0.00 0.00 175.76 174.23 1bze s ASN 98 N 1.25 4.03 0.02 0.00 -0.87 -1.26 -2.23 114.94 115.87 1bze s ASN 98 Ca 0.34 -0.84 0.08 0.00 -1.57 0.00 0.00 52.86 50.86 1bze s ASN 98 Cb -0.16 -0.55 -0.23 0.00 -0.02 0.00 0.00 41.25 40.29 1bze s ASN 98 CO 0.10 0.03 0.91 0.44 -2.57 0.00 0.00 177.10 176.00 1bze h ASP 99 N 2.15 0.07 -0.33 -1.22 5.19 -1.96 -3.35 116.42 116.96 1bze h ASP 99 Ca -0.42 -0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 55.76 1bze h ASP 99 Cb 1.25 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 1bze h ASP 99 CO 0.60 1.09 -0.27 0.28 -3.12 0.00 0.00 179.24 177.82 1bze h SER 100 N 0.01 0.81 -3.82 6.45 0.02 -2.04 -3.45 113.55 111.53 1bze h SER 100 Ca -0.18 -0.45 -0.48 0.00 -0.84 0.00 0.00 61.79 59.83 1bze h SER 100 Cb 1.93 -0.23 0.20 0.00 0.14 0.00 0.00 62.40 64.44 1bze h SER 100 CO 0.11 1.09 0.14 -0.83 -1.14 0.00 0.00 176.83 176.19 1bze s GLY 101 N -3.67 1.62 0.82 -3.77 0.00 -1.26 -4.93 107.32 96.13 1bze s GLY 101 Ca -0.12 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 1bze s GLY 101 CO 0.84 0.79 0.12 -1.05 0.00 0.00 0.00 173.10 173.79 1bze n PRO 102 N -4.50 0.04 0.00 2.90 -0.02 -1.26 -4.95 135.00 127.21 1bze n PRO 102 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1bze n PRO 102 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1bze n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bze n ARG 103 N 0.01 0.00 -2.59 -0.52 5.12 -0.21 -4.74 116.66 113.74 1bze n ARG 103 Ca 0.06 0.21 -0.32 0.00 -1.93 0.00 0.00 57.85 55.87 1bze n ARG 103 Cb 0.52 -1.17 -0.05 0.00 -1.16 0.00 0.00 32.46 30.60 1bze n ARG 103 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1bze s ARG 104 N -1.68 4.06 -0.14 5.56 3.52 -0.34 -4.91 118.95 125.03 1bze s ARG 104 Ca 0.00 1.01 -0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1bze s ARG 104 Cb 0.00 -2.16 0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1bze s ARG 104 CO 0.00 -0.16 -0.07 0.71 -0.81 0.00 0.00 175.30 174.96 1bze s TYR 105 N -2.43 1.62 -0.20 5.12 1.51 -0.11 -2.51 117.35 120.35 1bze s TYR 105 Ca 0.60 -0.91 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1bze s TYR 105 Cb -0.10 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1bze s TYR 105 CO 0.24 -0.57 -0.11 0.99 -1.11 0.00 0.00 175.55 174.99 1bze s THR 106 N 1.66 2.80 -0.29 -0.71 2.01 -0.53 -0.51 115.64 120.08 1bze s THR 106 Ca 0.03 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 1bze s THR 106 Cb -0.14 -2.24 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1bze s THR 106 CO -0.08 0.48 0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 1bze s ILE 107 N 1.32 4.00 0.10 1.82 -1.09 -0.10 -1.29 121.20 125.98 1bze s ILE 107 Ca 0.04 -0.64 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1bze s ILE 107 Cb -0.14 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1bze s ILE 107 CO -0.07 0.11 -0.04 0.00 -1.23 0.00 0.00 174.94 173.72 1bze s ALA 108 N 1.51 3.17 -0.01 9.38 0.00 -0.40 -1.58 121.76 133.83 1bze s ALA 108 Ca 0.03 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1bze s ALA 108 Cb -0.17 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1bze s ALA 108 CO 0.03 0.66 -0.01 0.00 0.00 0.00 0.00 175.76 176.44 1bze s ALA 109 N -1.32 0.20 -0.21 0.00 0.00 -0.30 -2.08 121.76 118.05 1bze s ALA 109 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1bze s ALA 109 Cb -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1bze s ALA 109 CO 0.17 -0.01 -0.12 -1.17 0.00 0.00 0.00 175.76 174.63 1bze s LEU 110 N 0.39 2.62 -0.03 0.00 2.96 -0.43 -0.65 118.68 123.54 1bze s LEU 110 Ca -0.04 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1bze s LEU 110 Cb -0.06 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1bze s LEU 110 CO -0.01 -0.03 0.04 -0.76 -1.32 0.00 0.00 176.35 174.26 1bze s LEU 111 N 1.36 3.71 0.07 -0.68 1.43 0.88 -1.95 118.68 123.50 1bze s LEU 111 Ca 0.04 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1bze s LEU 111 Cb -0.14 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1bze s LEU 111 CO -0.08 0.31 -0.03 -0.44 0.23 0.00 0.00 176.35 176.35 1bze s SER 112 N -1.38 0.61 0.27 2.29 0.01 -0.16 -0.72 113.70 114.62 1bze s SER 112 Ca 0.18 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.41 1bze s SER 112 Cb -0.12 0.19 0.50 0.00 0.21 0.00 0.00 66.02 66.80 1bze s SER 112 CO 0.09 -0.59 1.83 -0.65 0.41 0.00 0.00 173.24 174.33 1bze h PRO 113 N 3.08 0.91 -0.13 12.44 0.11 -1.99 -3.05 132.00 143.38 1bze h PRO 113 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1bze h PRO 113 Cb 1.15 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1bze h PRO 113 CO 0.65 0.60 0.00 0.66 -0.21 0.00 0.00 178.00 179.70 1bze n TYR 114 N -4.65 0.37 -3.58 0.65 4.02 -1.26 -2.09 117.16 110.61 1bze n TYR 114 Ca 0.17 -0.83 -0.14 0.00 -0.01 0.00 0.00 57.90 57.09 1bze n TYR 114 Cb 0.33 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 1bze n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bze s SER 115 N -2.08 -0.45 -0.11 7.72 0.15 -1.15 -5.02 113.70 112.76 1bze s SER 115 Ca 0.30 0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.97 1bze s SER 115 Cb 0.24 0.49 0.05 0.00 -1.71 0.00 0.00 66.02 65.09 1bze s SER 115 CO 0.06 -0.69 0.51 -0.72 1.20 0.00 0.00 173.24 173.60 1bze s TYR 116 N -2.25 -0.50 0.14 3.44 -0.85 -1.26 -0.99 117.35 115.09 1bze s TYR 116 Ca -0.06 1.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.63 1bze s TYR 116 Cb -0.01 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1bze s TYR 116 CO -0.00 -0.40 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.28 1bze s SER 117 N -0.53 3.05 -0.07 -0.18 0.01 -0.82 -4.99 113.70 110.17 1bze s SER 117 Ca -0.07 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 56.35 1bze s SER 117 Cb -0.03 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1bze s SER 117 CO 0.04 0.10 0.19 0.28 0.41 0.00 0.00 173.24 174.27 1bze s THR 118 N -1.36 0.01 0.06 1.44 -1.32 -1.26 -1.31 115.64 111.89 1bze s THR 118 Ca 0.14 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1bze s THR 118 Cb -0.09 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1bze s THR 118 CO 0.06 -0.04 -0.06 -0.32 -2.21 0.00 0.00 174.62 172.05 1bze s MET 119 N -0.06 0.61 -0.10 7.08 1.75 -0.88 -5.00 119.30 122.70 1bze s MET 119 Ca -0.02 -0.99 0.04 0.00 -1.25 0.00 0.00 55.69 53.47 1bze s MET 119 Cb -0.02 -0.14 -0.00 0.00 2.84 0.00 0.00 34.83 37.51 1bze s MET 119 CO 0.00 -0.01 -0.24 0.00 -0.65 0.00 0.00 175.02 174.13 1bze s ALA 120 N -2.48 2.16 -0.26 4.11 0.00 -1.26 -1.27 121.76 122.76 1bze s ALA 120 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 1bze s ALA 120 Cb -0.03 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1bze s ALA 120 CO -0.03 0.30 -0.06 0.08 0.00 0.00 0.00 175.76 176.06 1bze s VAL 121 N 0.29 2.74 -0.22 0.00 1.01 -0.41 -4.99 120.40 118.82 1bze s VAL 121 Ca -0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1bze s VAL 121 Cb -0.18 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1bze s VAL 121 CO 0.08 0.08 -0.04 -0.69 0.00 0.00 0.00 175.10 174.53 1bze s VAL 122 N 1.26 3.39 0.09 2.92 1.01 -1.26 -1.46 120.40 126.35 1bze s VAL 122 Ca -0.03 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1bze s VAL 122 Cb -0.18 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1bze s VAL 122 CO -0.04 0.42 0.09 0.35 0.00 0.00 0.00 175.10 175.92 1bze n THR 123 N 4.75 0.00 -0.05 3.92 -2.24 -1.04 -4.90 114.28 114.72 1bze n THR 123 Ca -0.18 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 60.92 1bze n THR 123 Cb 0.51 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1bze n THR 123 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bze n ASN 124 N -2.53 3.00 0.00 3.42 4.13 -1.26 -1.04 115.26 120.98 1bze n ASN 124 Ca 0.02 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1bze n ASN 124 Cb 0.16 0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1bze n ASN 124 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1bze n PRO 125 N -2.56 0.00 0.00 3.52 -0.04 -1.26 -4.75 135.00 129.91 1bze n PRO 125 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1bze n PRO 125 Cb 0.75 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.21 1bze n PRO 125 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1bze n LYS 126 N 0.00 0.00 0.00 0.54 2.85 -1.26 -4.91 118.16 115.38 1bze n LYS 126 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1bze n LYS 126 Cb 0.00 -0.04 0.00 0.00 -0.65 0.00 0.00 35.03 34.34 1bze n LYS 126 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74