#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jze s GLU 2 N 0.00 3.31 -0.26 0.00 2.12 -1.26 -4.88 118.70 117.73 1jze s GLU 2 Ca 0.00 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.71 1jze s GLU 2 Cb 0.00 -3.88 0.49 0.00 0.26 0.00 0.00 34.13 31.00 1jze s GLU 2 CO 0.00 -0.64 1.53 0.00 -0.54 0.00 0.00 175.26 175.61 1jze s SER 4 N -0.54 -0.28 -0.10 0.00 1.04 -1.26 -1.06 113.70 111.50 1jze s SER 4 Ca 0.38 -0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 1jze s SER 4 Cb 0.31 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.91 1jze s SER 4 CO 0.09 -0.69 0.23 0.68 0.98 0.00 0.00 173.24 174.52 1jze s VAL 5 N -2.65 -0.08 -0.28 5.02 -7.23 0.09 -4.95 120.40 110.32 1jze s VAL 5 Ca -0.04 0.17 -0.15 0.00 -1.81 0.00 0.00 61.98 60.15 1jze s VAL 5 Cb -0.00 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1jze s VAL 5 CO -0.04 0.07 0.38 -1.81 -0.31 0.00 0.00 175.10 173.40 1jze s ASP 6 N 1.36 6.26 0.08 4.85 1.01 -1.26 -0.57 116.67 128.40 1jze s ASP 6 Ca -0.08 0.26 0.10 0.00 0.71 0.00 0.00 52.55 53.54 1jze s ASP 6 Cb -0.11 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 1jze s ASP 6 CO -0.08 -0.21 -0.26 -0.63 0.21 0.00 0.00 175.17 174.21 1jze s ILE 7 N 2.09 2.26 -0.04 0.77 1.01 0.87 -4.93 121.20 123.23 1jze s ILE 7 Ca 0.15 -1.53 0.07 0.00 0.00 0.00 0.00 60.65 59.34 1jze s ILE 7 Cb -0.16 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1jze s ILE 7 CO 0.10 0.24 -0.25 -1.10 0.00 0.00 0.00 174.94 173.94 1jze s GLN 8 N -1.62 2.25 -0.13 2.79 -0.21 -1.26 -0.45 119.66 121.03 1jze s GLN 8 Ca 0.13 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.64 1jze s GLN 8 Cb -0.10 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.87 1jze s GLN 8 CO 0.04 0.46 -0.19 0.20 -2.12 0.00 0.00 175.29 173.68 1jze s GLY 9 N -0.38 1.42 0.00 3.09 0.00 -0.20 -2.17 107.32 109.08 1jze s GLY 9 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1jze s GLY 9 CO 0.01 -0.17 0.00 1.16 0.00 0.00 0.00 173.10 174.10 1jze n ASN 10 N 3.72 1.20 0.04 1.64 0.23 -0.42 -3.60 115.26 118.08 1jze n ASN 10 Ca -0.19 -0.87 0.14 0.00 -0.53 0.00 0.00 54.58 53.13 1jze n ASN 10 Cb 0.52 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.74 1jze n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1jze n ASP 11 N -1.56 0.33 -1.92 0.53 8.00 -1.26 -2.91 116.55 117.76 1jze n ASP 11 Ca 0.00 0.50 -0.03 0.00 0.71 0.00 0.00 54.79 55.97 1jze n ASP 11 Cb 0.00 -0.57 0.31 0.00 -0.02 0.00 0.00 41.12 40.84 1jze n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jze n GLN 12 N -1.80 3.85 -3.87 -1.24 3.00 -1.26 -4.91 117.38 111.15 1jze n GLN 12 Ca 0.06 -2.90 -0.25 0.00 -0.01 0.00 0.00 57.00 53.90 1jze n GLN 12 Cb 0.38 -2.18 0.01 0.00 0.00 0.00 0.00 30.24 28.44 1jze n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1jze n MET 13 N 0.06 -4.26 -4.53 -1.09 2.81 -1.15 -4.96 117.12 103.99 1jze n MET 13 Ca 0.36 0.52 -0.21 0.00 -1.81 0.00 0.00 57.70 56.55 1jze n MET 13 Cb 1.29 -4.97 -0.15 0.00 -0.71 0.00 0.00 33.22 28.68 1jze n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1jze s GLN 14 N -6.36 0.99 0.16 0.03 -0.21 -1.26 -3.88 119.66 109.13 1jze s GLN 14 Ca 0.16 -0.45 -0.04 0.00 0.02 0.00 0.00 55.36 55.04 1jze s GLN 14 Cb -0.08 -0.96 -0.05 0.00 1.00 0.00 0.00 33.01 32.92 1jze s GLN 14 CO 0.85 0.26 0.39 -0.06 -2.12 0.00 0.00 175.29 174.61 1jze s PHE 15 N -0.32 3.47 -0.39 0.91 0.08 -1.26 -1.30 117.98 119.18 1jze s PHE 15 Ca 0.04 0.54 0.08 0.00 0.12 0.00 0.00 56.93 57.72 1jze s PHE 15 Cb -0.05 -1.99 0.61 0.00 -0.57 0.00 0.00 43.02 41.01 1jze s PHE 15 CO -0.00 0.41 1.55 0.27 -0.10 0.00 0.00 175.22 177.35 1jze n ASN 16 N -0.08 4.37 -3.71 1.36 0.23 -0.92 -4.83 115.26 111.67 1jze n ASN 16 Ca -0.03 -2.89 -0.12 0.00 -0.53 0.00 0.00 54.58 51.01 1jze n ASN 16 Cb 0.52 -0.68 -0.10 0.00 -2.08 0.00 0.00 39.78 37.44 1jze n ASN 16 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jze s THR 17 N -2.44 -0.01 -0.04 5.53 2.01 -1.26 -4.94 115.64 114.49 1jze s THR 17 Ca 0.43 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1jze s THR 17 Cb 0.34 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1jze s THR 17 CO 0.11 0.01 0.04 0.59 -0.69 0.00 0.00 174.62 174.69 1jze n ASN 18 N 3.45 1.11 -3.76 3.53 3.02 -1.26 -4.80 115.26 116.54 1jze n ASN 18 Ca -0.17 -0.41 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 1jze n ASN 18 Cb 0.56 1.01 -0.15 0.00 -0.61 0.00 0.00 39.78 40.59 1jze n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jze s ALA 19 N -1.32 -0.04 -0.10 5.41 0.00 -1.26 -0.69 121.76 123.76 1jze s ALA 19 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1jze s ALA 19 Cb 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1jze s ALA 19 CO 0.05 -0.14 -0.16 0.42 0.00 0.00 0.00 175.76 175.93 1jze s ILE 20 N 1.14 1.52 -0.19 0.00 1.01 0.17 -4.95 121.20 119.90 1jze s ILE 20 Ca -0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1jze s ILE 20 Cb -0.13 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1jze s ILE 20 CO -0.04 0.44 -0.04 -0.89 0.00 0.00 0.00 174.94 174.41 1jze s THR 21 N 0.87 3.61 -0.34 2.92 2.01 -1.26 -1.47 115.64 121.98 1jze s THR 21 Ca -0.09 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 1jze s THR 21 Cb -0.15 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1jze s THR 21 CO 0.00 0.45 0.16 -0.69 -0.69 0.00 0.00 174.62 173.85 1jze s VAL 22 N 0.96 4.31 0.04 3.82 1.01 -0.31 -4.98 120.40 125.26 1jze s VAL 22 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1jze s VAL 22 Cb -0.15 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1jze s VAL 22 CO 0.01 -0.12 1.67 -0.62 0.00 0.00 0.00 175.10 176.03 1jze s ASP 23 N 1.52 6.61 0.47 3.32 -1.08 -1.26 -1.46 116.67 124.80 1jze s ASP 23 Ca 0.02 2.43 0.19 0.00 -0.52 0.00 0.00 52.55 54.67 1jze s ASP 23 Cb -0.19 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 39.77 1jze s ASP 23 CO 0.05 -0.90 1.53 0.50 0.52 0.00 0.00 175.17 176.87 1jze h LYS 24 N 8.71 0.00 0.00 4.34 3.64 -1.80 0.13 116.57 131.59 1jze h LYS 24 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1jze h LYS 24 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1jze h LYS 24 CO 0.93 0.00 -0.24 0.43 -2.27 0.00 0.00 179.45 178.31 1jze n SER 25 N -2.39 0.41 -4.73 4.20 7.64 -1.26 -4.84 113.62 112.66 1jze n SER 25 Ca -0.01 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.72 1jze n SER 25 Cb 0.36 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 1jze n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jze h LYS 27 N 5.74 0.38 -5.02 0.00 6.56 -1.88 -3.42 116.57 118.93 1jze h LYS 27 Ca -0.43 -0.50 -0.32 0.00 -1.06 0.00 0.00 60.65 58.34 1jze h LYS 27 Cb 1.21 0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 32.88 1jze h LYS 27 CO 0.72 1.18 -0.70 -0.65 -2.06 0.00 0.00 179.45 177.93 1jze s GLN 28 N -3.02 1.07 -0.01 3.15 -0.21 -1.26 -0.80 119.66 118.58 1jze s GLN 28 Ca -0.06 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 53.87 1jze s GLN 28 Cb 0.08 -0.56 0.00 0.00 1.00 0.00 0.00 33.01 33.53 1jze s GLN 28 CO 0.88 0.04 -0.02 0.12 -2.12 0.00 0.00 175.29 174.19 1jze s PHE 29 N -3.38 0.27 -0.05 0.91 5.36 -0.44 -4.81 117.98 115.84 1jze s PHE 29 Ca 0.18 -0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 1jze s PHE 29 Cb 0.03 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1jze s PHE 29 CO 0.01 -0.03 -0.24 0.99 -1.46 0.00 0.00 175.22 174.48 1jze s THR 30 N 0.18 1.98 -0.16 0.12 2.01 -0.22 -1.50 115.64 118.04 1jze s THR 30 Ca -0.01 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1jze s THR 30 Cb -0.04 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 1jze s THR 30 CO -0.00 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.64 1jze s VAL 31 N -0.26 2.66 -0.47 3.82 1.01 0.02 -0.73 120.40 126.45 1jze s VAL 31 Ca -0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1jze s VAL 31 Cb -0.12 -2.13 0.12 0.00 0.00 0.00 0.00 36.38 34.25 1jze s VAL 31 CO 0.02 0.51 0.32 0.20 0.00 0.00 0.00 175.10 176.15 1jze s ASN 32 N 0.92 5.55 -0.05 3.32 0.01 0.26 -1.22 114.94 123.72 1jze s ASN 32 Ca -0.03 -2.05 -0.19 0.00 -0.71 0.00 0.00 52.86 49.87 1jze s ASN 32 Cb -0.15 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 1jze s ASN 32 CO -0.02 -0.62 0.54 -0.22 -1.51 0.00 0.00 177.10 175.27 1jze s LEU 33 N 1.14 4.37 0.15 0.60 2.96 0.54 -0.09 118.68 128.34 1jze s LEU 33 Ca 0.08 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1jze s LEU 33 Cb -0.24 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 1jze s LEU 33 CO -0.02 0.08 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.08 1jze s SER 34 N 0.07 1.57 -0.43 3.68 1.04 0.41 -0.92 113.70 119.11 1jze s SER 34 Ca 0.29 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1jze s SER 34 Cb -0.17 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.11 1jze s SER 34 CO 0.14 -0.43 0.19 -2.28 0.98 0.00 0.00 173.24 171.85 1jze s HIS 35 N -3.46 2.57 -1.62 5.02 2.46 -0.82 -1.03 115.29 118.41 1jze s HIS 35 Ca 0.19 -2.63 0.23 0.00 0.47 0.00 0.00 55.06 53.32 1jze s HIS 35 Cb 0.04 -2.30 1.26 0.00 -0.13 0.00 0.00 32.58 31.45 1jze s HIS 35 CO 0.01 -0.81 1.77 -0.35 -2.47 0.00 0.00 174.74 172.89 1jze n PRO 36 N 3.72 0.47 -0.80 2.88 -0.04 -1.24 -1.47 135.00 138.52 1jze n PRO 36 Ca 0.05 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1jze n PRO 36 Cb 0.36 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.48 1jze n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jze n GLY 37 N 0.62 -2.40 0.01 0.55 0.00 -1.26 -4.86 105.19 97.84 1jze n GLY 37 Ca 0.13 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.70 1jze n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jze n ASN 38 N -4.09 1.88 -4.76 1.61 4.13 -1.26 -4.04 115.26 108.72 1jze n ASN 38 Ca 0.10 -0.06 -0.39 0.00 1.68 0.00 0.00 54.58 55.91 1jze n ASN 38 Cb 0.39 1.56 -0.05 0.00 -1.54 0.00 0.00 39.78 40.14 1jze n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jze s LEU 39 N -3.83 4.52 0.93 3.41 1.43 -1.26 -4.71 118.68 119.17 1jze s LEU 39 Ca -0.04 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 1jze s LEU 39 Cb 0.09 -3.74 0.15 0.00 0.03 0.00 0.00 46.19 42.72 1jze s LEU 39 CO 0.55 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 176.01 1jze s PRO 40 N -1.54 0.95 0.27 1.29 0.04 -1.26 -0.95 135.00 133.79 1jze s PRO 40 Ca 0.45 0.85 0.24 0.00 0.04 0.00 0.00 61.00 62.58 1jze s PRO 40 Cb -0.27 -1.77 1.00 0.00 0.04 0.00 0.00 34.50 33.50 1jze s PRO 40 CO 0.34 -2.46 1.71 0.36 0.04 0.00 0.00 177.00 176.99 1jze n LYS 41 N -4.04 0.20 0.14 4.56 2.85 -1.26 -1.01 118.16 119.60 1jze n LYS 41 Ca 0.07 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.89 1jze n LYS 41 Cb 0.55 -1.89 0.38 0.00 -0.65 0.00 0.00 35.03 33.42 1jze n LYS 41 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 1jze h ASN 42 N 0.00 0.00 0.00 -5.58 -0.00 -1.93 -1.40 115.58 106.67 1jze h ASN 42 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 1jze h ASN 42 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 1jze h ASN 42 CO 0.00 0.00 -1.25 1.33 -0.00 0.00 0.00 177.43 177.51 1jze n VAL 43 N -2.48 0.25 -2.82 6.14 0.24 -0.99 -4.80 118.33 113.87 1jze n VAL 43 Ca 0.05 -0.15 -0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1jze n VAL 43 Cb 0.42 -0.90 0.05 0.00 -1.47 0.00 0.00 33.84 31.94 1jze n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1jze n MET 44 N -2.14 1.73 -2.15 7.34 0.00 -0.18 -5.03 117.12 116.69 1jze n MET 44 Ca -0.06 -3.49 -0.38 0.00 -0.00 0.00 0.00 57.70 53.77 1jze n MET 44 Cb 0.62 -1.59 -0.00 0.00 0.00 0.00 0.00 33.22 32.24 1jze n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jze s GLY 45 N -3.77 2.84 -0.01 -5.12 0.00 -0.53 -4.71 107.32 96.02 1jze s GLY 45 Ca 0.28 1.06 0.02 0.00 0.00 0.00 0.00 44.72 46.08 1jze s GLY 45 CO -0.04 1.57 -0.07 0.30 0.00 0.00 0.00 173.10 174.86 1jze s HIS 46 N -1.42 0.67 0.21 1.90 3.76 -0.24 -4.65 115.29 115.52 1jze s HIS 46 Ca 0.62 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.41 1jze s HIS 46 Cb -0.33 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.84 1jze s HIS 46 CO 0.40 -0.05 0.02 0.54 -0.85 0.00 0.00 174.74 174.80 1jze s ASN 47 N 0.07 1.38 -0.25 1.40 2.20 -1.26 -0.62 114.94 117.87 1jze s ASN 47 Ca -0.01 -1.23 0.02 0.00 -0.94 0.00 0.00 52.86 50.71 1jze s ASN 47 Cb -0.06 0.10 0.05 0.00 -2.00 0.00 0.00 41.25 39.34 1jze s ASN 47 CO -0.00 -0.58 -0.11 0.86 -2.94 0.00 0.00 177.10 174.32 1jze s TRP 48 N -3.61 3.17 -0.07 1.54 -0.00 -1.26 -3.84 118.94 114.87 1jze s TRP 48 Ca 0.28 -2.11 0.05 0.00 -0.00 0.00 0.00 56.10 54.32 1jze s TRP 48 Cb 0.06 -1.95 -0.01 0.00 -0.00 0.00 0.00 33.47 31.57 1jze s TRP 48 CO 0.07 -0.85 -0.23 0.08 -0.00 0.00 0.00 176.95 176.02 1jze s VAL 49 N 1.16 2.18 -0.04 5.86 1.01 0.70 -1.42 120.40 129.84 1jze s VAL 49 Ca -0.06 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1jze s VAL 49 Cb -0.18 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1jze s VAL 49 CO -0.06 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.26 1jze s LEU 50 N -0.07 2.83 0.17 3.92 2.96 0.00 -0.92 118.68 127.58 1jze s LEU 50 Ca -0.06 -0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1jze s LEU 50 Cb -0.15 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.00 1jze s LEU 50 CO 0.05 0.34 0.82 -0.94 -1.32 0.00 0.00 176.35 175.29 1jze s SER 51 N -0.87 -0.29 0.55 3.68 1.04 -0.98 -0.84 113.70 115.99 1jze s SER 51 Ca 0.12 -0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.00 1jze s SER 51 Cb -0.11 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1jze s SER 51 CO 0.02 -1.01 1.29 0.42 0.98 0.00 0.00 173.24 174.93 1jze s THR 52 N -3.53 2.36 0.66 2.02 -4.23 -1.26 -0.59 115.64 111.06 1jze s THR 52 Ca 0.09 0.25 0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1jze s THR 52 Cb -0.03 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 71.00 1jze s THR 52 CO -0.00 -0.02 1.91 0.00 -0.54 0.00 0.00 174.62 175.97 1jze h ALA 53 N 1.36 1.45 0.00 3.99 0.00 -1.26 -0.04 119.26 124.76 1jze h ALA 53 Ca -0.51 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1jze h ALA 53 Cb 1.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1jze h ALA 53 CO 0.57 -0.39 -1.36 0.00 0.00 0.00 0.00 179.25 178.07 1jze h ALA 54 N 1.34 0.57 -0.00 0.00 0.00 -1.88 -3.33 119.26 115.95 1jze h ALA 54 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1jze h ALA 54 Cb 0.74 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jze h ALA 54 CO -0.00 1.42 -0.28 -0.25 0.00 0.00 0.00 179.25 180.15 1jze n ASP 55 N -3.19 0.47 -0.03 0.00 8.00 -0.06 -4.47 116.55 117.27 1jze n ASP 55 Ca -0.09 -0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.04 1jze n ASP 55 Cb 1.00 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 42.04 1jze n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1jze h MET 56 N 0.31 -0.37 -0.75 -1.24 1.85 -1.61 -2.74 114.93 110.38 1jze h MET 56 Ca 0.00 0.03 0.14 0.00 -0.61 0.00 0.00 59.70 59.26 1jze h MET 56 Cb 0.47 0.08 -0.14 0.00 0.43 0.00 0.00 31.60 32.44 1jze h MET 56 CO 0.00 -0.25 -0.24 1.96 -0.40 0.00 0.00 176.91 177.98 1jze h GLN 57 N -0.39 -0.04 -0.15 0.39 1.08 -1.85 0.40 115.11 114.56 1jze h GLN 57 Ca 0.03 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1jze h GLN 57 Cb 0.47 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1jze h GLN 57 CO -0.33 -0.02 -0.28 0.78 -0.95 0.00 0.00 178.83 178.03 1jze h GLY 58 N -0.04 0.31 0.72 3.46 0.00 -1.85 0.94 103.07 106.61 1jze h GLY 58 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1jze h GLY 58 CO -0.79 0.22 -0.05 -2.08 0.00 0.00 0.00 176.54 173.85 1jze h VAL 59 N 0.25 1.31 0.46 4.60 2.07 -0.75 -1.04 116.25 123.15 1jze h VAL 59 Ca 0.04 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1jze h VAL 59 Cb 0.63 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1jze h VAL 59 CO 0.05 0.30 -0.22 0.58 0.02 0.00 0.00 177.57 178.29 1jze h VAL 60 N -0.11 0.55 -0.13 2.57 2.07 -0.80 0.69 116.25 121.10 1jze h VAL 60 Ca 0.03 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1jze h VAL 60 Cb 0.49 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1jze h VAL 60 CO 0.01 0.00 -0.22 0.74 0.02 0.00 0.00 177.57 178.13 1jze h THR 61 N -0.62 0.46 0.00 2.57 2.02 -0.84 -0.48 112.91 116.02 1jze h THR 61 Ca -0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1jze h THR 61 Cb 0.47 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1jze h THR 61 CO 0.10 0.00 -0.30 0.44 0.37 0.00 0.00 175.52 176.13 1jze h ASP 62 N -0.28 0.00 -0.33 4.18 3.32 -1.17 -3.06 116.42 119.08 1jze h ASP 62 Ca 0.10 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1jze h ASP 62 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1jze h ASP 62 CO -0.29 0.30 -0.20 1.23 -1.72 0.00 0.00 179.24 178.56 1jze h GLY 63 N 1.92 0.77 1.76 2.75 0.00 0.10 -2.87 103.07 107.51 1jze h GLY 63 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1jze h GLY 63 CO 0.04 0.65 -0.03 0.00 0.00 0.00 0.00 176.54 177.21 1jze h MET 64 N 0.48 0.30 0.00 4.80 -0.00 -1.03 -1.81 114.93 117.67 1jze h MET 64 Ca 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1jze h MET 64 Cb 0.75 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 1jze h MET 64 CO 0.06 0.35 0.00 0.00 -0.00 0.00 0.00 176.91 177.32 1jze n ALA 65 N -2.49 2.19 0.14 -3.00 0.00 -1.14 -3.70 120.51 112.50 1jze n ALA 65 Ca -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1jze n ALA 65 Cb 0.21 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.29 1jze n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jze h SER 66 N 0.00 0.00 -4.47 0.00 0.02 -1.11 -3.51 113.55 104.48 1jze h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jze h SER 66 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1jze h SER 66 CO 0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1jze n GLY 67 N 1.16 -0.34 0.35 -3.77 0.00 -1.24 -4.41 105.19 96.94 1jze n GLY 67 Ca 0.01 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 1jze n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jze h LEU 68 N 0.00 1.06 0.00 0.99 5.85 -1.92 -1.09 115.31 120.20 1jze h LEU 68 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1jze h LEU 68 Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1jze h LEU 68 CO 0.00 0.79 0.00 -0.90 -0.34 0.00 0.00 178.44 177.99 1jze n ASP 69 N -4.42 0.00 -0.02 1.25 5.75 -1.26 -1.00 116.55 116.85 1jze n ASP 69 Ca 0.10 0.07 0.03 0.00 -0.01 0.00 0.00 54.79 54.98 1jze n ASP 69 Cb 0.03 -0.23 0.04 0.00 -1.03 0.00 0.00 41.12 39.93 1jze n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jze n LYS 70 N -1.23 2.46 -2.49 0.11 4.76 -0.83 -4.98 118.16 115.95 1jze n LYS 70 Ca 0.05 -1.84 -0.19 0.00 -2.87 0.00 0.00 58.31 53.46 1jze n LYS 70 Cb 0.07 -1.16 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1jze n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jze n ASP 71 N -0.80 -5.38 -3.89 4.39 9.92 -0.17 -2.24 116.55 118.38 1jze n ASP 71 Ca 0.05 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.04 1jze n ASP 71 Cb 0.37 -4.48 0.01 0.00 -0.64 0.00 0.00 41.12 36.39 1jze n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1jze n TYR 72 N -3.90 -2.00 -3.86 1.24 4.01 -0.47 -4.78 117.16 107.40 1jze n TYR 72 Ca -0.20 0.85 -0.16 0.00 -0.16 0.00 0.00 57.90 58.22 1jze n TYR 72 Cb 0.66 -3.94 -0.16 0.00 -0.31 0.00 0.00 39.34 35.59 1jze n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jze s LEU 73 N -7.04 1.11 0.23 7.72 1.43 -0.95 -4.28 118.68 116.90 1jze s LEU 73 Ca 0.36 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1jze s LEU 73 Cb -0.18 -0.16 -0.10 0.00 0.03 0.00 0.00 46.19 45.78 1jze s LEU 73 CO 0.85 -0.12 1.43 -0.75 0.23 0.00 0.00 176.35 177.99 1jze s LYS 74 N 1.07 4.28 0.33 1.70 2.20 -1.26 -4.84 119.74 123.22 1jze s LYS 74 Ca -0.09 2.26 -0.29 0.00 -0.36 0.00 0.00 55.97 57.49 1jze s LYS 74 Cb -0.13 -3.13 -0.11 0.00 -1.51 0.00 0.00 37.83 32.95 1jze s LYS 74 CO -0.02 -0.41 1.50 -2.14 -0.36 0.00 0.00 175.35 173.92 1jze s PRO 75 N -0.19 4.15 -1.88 4.03 0.02 -1.26 -2.73 135.00 137.14 1jze s PRO 75 Ca 0.60 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1jze s PRO 75 Cb -0.41 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1jze s PRO 75 CO 0.41 -0.52 0.00 -0.25 -0.33 0.00 0.00 177.00 176.31 1jze n ASP 76 N 1.22 -5.40 -4.57 2.53 8.00 -1.26 -4.91 116.55 112.16 1jze n ASP 76 Ca 0.04 0.28 -0.40 0.00 0.71 0.00 0.00 54.79 55.42 1jze n ASP 76 Cb 0.39 -4.53 -0.03 0.00 -0.02 0.00 0.00 41.12 36.93 1jze n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jze s ASP 77 N -2.54 5.59 0.60 -2.24 -1.08 -1.11 -4.88 116.67 111.02 1jze s ASP 77 Ca 0.00 0.66 0.39 0.00 -0.52 0.00 0.00 52.55 53.08 1jze s ASP 77 Cb 0.00 -2.53 2.14 0.00 -1.46 0.00 0.00 42.92 41.07 1jze s ASP 77 CO 0.00 -2.06 2.20 0.77 0.52 0.00 0.00 175.17 176.60 1jze h SER 78 N 13.76 0.00 1.48 -0.34 4.64 -1.92 -2.07 113.55 129.09 1jze h SER 78 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jze h SER 78 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1jze h SER 78 CO 1.15 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 177.14 1jze h ARG 79 N 0.00 0.00 -6.51 4.77 3.08 -1.96 -3.42 114.38 110.33 1jze h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1jze h ARG 79 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1jze h ARG 79 CO 0.00 0.00 1.04 0.08 -1.07 0.00 0.00 179.97 180.02 1jze s VAL 80 N -3.40 3.98 0.02 2.04 1.01 -0.78 -4.48 120.40 118.79 1jze s VAL 80 Ca 0.05 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 1jze s VAL 80 Cb 0.07 -4.23 -0.21 0.00 0.00 0.00 0.00 36.38 32.02 1jze s VAL 80 CO 0.60 -0.72 1.15 0.40 0.00 0.00 0.00 175.10 176.53 1jze h ILE 81 N 6.34 1.41 -3.08 2.22 2.04 -1.26 -3.48 117.51 121.69 1jze h ILE 81 Ca -0.27 -1.96 -0.03 0.00 1.00 0.00 0.00 64.86 63.61 1jze h ILE 81 Cb 1.10 2.44 -0.12 0.00 -0.74 0.00 0.00 36.82 39.50 1jze h ILE 81 CO 1.08 0.57 0.15 0.00 0.00 0.00 0.00 178.15 179.95 1jze s ALA 82 N -3.41 -1.45 -0.18 1.87 0.00 -1.24 -5.02 121.76 112.34 1jze s ALA 82 Ca -0.13 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 1jze s ALA 82 Cb 0.04 0.84 0.10 0.00 0.00 0.00 0.00 23.12 24.10 1jze s ALA 82 CO 0.82 -0.74 0.86 -3.38 0.00 0.00 0.00 175.76 173.32 1jze s HIS 83 N -3.75 -0.55 0.67 0.00 -3.43 -1.26 -0.81 115.29 106.15 1jze s HIS 83 Ca 0.01 1.13 0.01 0.00 -0.80 0.00 0.00 55.06 55.42 1jze s HIS 83 Cb -0.00 0.39 0.11 0.00 -1.43 0.00 0.00 32.58 31.64 1jze s HIS 83 CO -0.13 -0.40 0.93 0.95 -2.00 0.00 0.00 174.74 174.09 1jze s THR 84 N -0.56 2.21 0.69 -5.38 -4.23 -0.51 -4.84 115.64 103.02 1jze s THR 84 Ca -0.03 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1jze s THR 84 Cb -0.02 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.37 1jze s THR 84 CO 0.02 0.00 0.97 -1.59 -0.54 0.00 0.00 174.62 173.48 1jze s LYS 85 N -5.01 2.02 0.05 3.99 -2.85 -1.26 -4.55 119.74 112.14 1jze s LYS 85 Ca 0.64 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 1jze s LYS 85 Cb -0.06 -2.27 -0.04 0.00 -2.06 0.00 0.00 37.83 33.39 1jze s LYS 85 CO 0.43 -1.25 1.01 -1.17 0.10 0.00 0.00 175.35 174.47 1jze s LEU 86 N -5.14 4.42 0.16 2.77 2.96 -1.26 -4.40 118.68 118.18 1jze s LEU 86 Ca 0.62 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 56.39 1jze s LEU 86 Cb -0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1jze s LEU 86 CO 0.44 -0.23 -0.17 0.27 -1.32 0.00 0.00 176.35 175.33 1jze s ILE 87 N 0.64 1.72 0.19 6.68 -4.36 0.21 -4.87 121.20 121.40 1jze s ILE 87 Ca 0.51 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1jze s ILE 87 Cb -0.23 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1jze s ILE 87 CO 0.29 -0.36 0.03 0.61 0.24 0.00 0.00 174.94 175.76 1jze n GLY 88 N 0.29 3.74 3.54 6.27 0.00 -1.26 -1.07 105.19 116.70 1jze n GLY 88 Ca -0.13 -2.26 -0.51 0.00 0.00 0.00 0.00 46.02 43.12 1jze n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jze n SER 89 N -1.30 0.81 0.00 1.61 2.88 -0.13 -1.51 113.62 115.98 1jze n SER 89 Ca -0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1jze n SER 89 Cb 0.24 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1jze n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jze n GLY 90 N 1.96 2.65 3.94 0.46 0.00 -0.54 -4.97 105.19 108.70 1jze n GLY 90 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1jze n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jze s GLU 91 N -0.00 2.75 0.07 1.61 2.02 -0.57 -4.91 118.70 119.66 1jze s GLU 91 Ca 0.00 -0.39 -0.15 0.00 0.02 0.00 0.00 54.97 54.45 1jze s GLU 91 Cb 0.00 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.86 1jze s GLU 91 CO 0.00 -0.67 0.34 -1.59 0.02 0.00 0.00 175.26 173.36 1jze s LYS 92 N -4.85 0.90 -0.10 1.61 -2.85 -1.26 -1.94 119.74 111.24 1jze s LYS 92 Ca 0.54 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 1jze s LYS 92 Cb -0.10 0.39 0.10 0.00 -2.06 0.00 0.00 37.83 36.15 1jze s LYS 92 CO 0.41 -0.31 0.82 0.34 0.10 0.00 0.00 175.35 176.71 1jze s ASP 93 N -2.30 -0.53 0.09 0.03 2.15 -0.10 -5.01 116.67 110.99 1jze s ASP 93 Ca -0.02 0.60 0.07 0.00 0.43 0.00 0.00 52.55 53.63 1jze s ASP 93 Cb 0.00 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 43.05 1jze s ASP 93 CO -0.06 -0.48 -0.18 -0.44 -0.17 0.00 0.00 175.17 173.84 1jze s SER 94 N -1.11 2.19 -0.04 -0.34 0.01 -1.26 -0.34 113.70 112.81 1jze s SER 94 Ca -0.07 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1jze s SER 94 Cb -0.00 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1jze s SER 94 CO 0.06 0.00 -0.07 0.54 0.41 0.00 0.00 173.24 174.19 1jze s VAL 95 N -1.20 0.67 -0.08 3.43 0.11 -0.36 -4.92 120.40 118.06 1jze s VAL 95 Ca 0.03 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1jze s VAL 95 Cb -0.10 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1jze s VAL 95 CO 0.03 0.24 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.91 1jze s THR 96 N 0.56 2.15 0.07 5.04 2.01 -1.26 -0.80 115.64 123.40 1jze s THR 96 Ca -0.08 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1jze s THR 96 Cb -0.12 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1jze s THR 96 CO 0.01 0.56 -0.08 0.72 -0.69 0.00 0.00 174.62 175.14 1jze s PHE 97 N 0.02 0.80 0.07 4.92 -0.71 -0.56 -4.96 117.98 117.57 1jze s PHE 97 Ca -0.09 -0.64 -0.31 0.00 -1.04 0.00 0.00 56.93 54.86 1jze s PHE 97 Cb -0.15 -0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 41.12 1jze s PHE 97 CO 0.06 -0.09 1.46 -0.51 -1.34 0.00 0.00 175.22 174.80 1jze s ASP 98 N -2.11 6.76 0.58 1.98 -0.00 -1.26 -1.33 116.67 121.30 1jze s ASP 98 Ca -0.02 2.32 0.35 0.00 -0.00 0.00 0.00 52.55 55.20 1jze s ASP 98 Cb -0.05 -2.57 1.77 0.00 -0.00 0.00 0.00 42.92 42.07 1jze s ASP 98 CO -0.01 -0.74 2.16 0.58 -0.00 0.00 0.00 175.17 177.16 1jze h VAL 99 N 4.55 0.25 0.00 -1.27 2.07 -1.22 -2.21 116.25 118.42 1jze h VAL 99 Ca -0.41 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1jze h VAL 99 Cb 1.20 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1jze h VAL 99 CO 0.89 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.99 1jze n SER 100 N -3.35 0.00 -0.17 0.57 3.41 -1.26 -1.61 113.62 111.22 1jze n SER 100 Ca -0.02 0.24 0.14 0.00 -0.26 0.00 0.00 58.87 58.97 1jze n SER 100 Cb 0.19 -0.37 0.66 0.00 -0.26 0.00 0.00 64.21 64.43 1jze n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jze n LYS 101 N -1.37 0.96 -4.31 4.33 5.02 -0.83 -4.81 118.16 117.15 1jze n LYS 101 Ca 0.06 -0.34 -0.28 0.00 -2.02 0.00 0.00 58.31 55.73 1jze n LYS 101 Cb 0.14 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 1jze n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jze s LEU 102 N -2.27 2.81 0.05 -0.35 1.43 -0.63 -5.09 118.68 114.61 1jze s LEU 102 Ca 0.35 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1jze s LEU 102 Cb 0.21 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1jze s LEU 102 CO 0.42 0.14 -0.12 -1.59 0.23 0.00 0.00 176.35 175.44 1jze s LYS 103 N -2.50 0.74 0.61 1.70 -2.85 -1.26 -5.03 119.74 111.14 1jze s LYS 103 Ca 0.21 -0.78 -0.19 0.00 -1.00 0.00 0.00 55.97 54.21 1jze s LYS 103 Cb -0.10 -0.67 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 1jze s LYS 103 CO 0.12 0.15 1.27 -1.21 0.10 0.00 0.00 175.35 175.78 1jze s GLU 104 N -1.40 2.82 0.00 1.78 2.02 -1.26 -3.65 118.70 119.01 1jze s GLU 104 Ca -0.03 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.95 1jze s GLU 104 Cb -0.09 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1jze s GLU 104 CO 0.01 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 174.33 1jze n GLY 105 N 0.72 2.09 3.76 -1.39 0.00 -1.26 -4.99 105.19 104.12 1jze n GLY 105 Ca 0.14 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1jze n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jze s GLU 106 N 0.00 4.25 -0.02 1.61 2.12 -1.24 -4.99 118.70 120.43 1jze s GLU 106 Ca 0.00 2.35 -0.15 0.00 0.36 0.00 0.00 54.97 57.53 1jze s GLU 106 Cb 0.00 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1jze s GLU 106 CO 0.00 -0.38 0.40 -1.14 -0.54 0.00 0.00 175.26 173.60 1jze s GLN 107 N -1.23 3.97 0.24 4.30 0.74 -1.26 -4.65 119.66 121.77 1jze s GLN 107 Ca 0.55 0.39 0.11 0.00 0.05 0.00 0.00 55.36 56.46 1jze s GLN 107 Cb -0.43 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.39 1jze s GLN 107 CO 0.51 0.62 -0.18 0.71 -0.55 0.00 0.00 175.29 176.39 1jze s TYR 108 N -0.83 2.36 -0.02 1.67 2.02 -0.75 -0.90 117.35 120.90 1jze s TYR 108 Ca 0.23 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 1jze s TYR 108 Cb -0.16 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1jze s TYR 108 CO 0.12 0.62 -0.09 -1.64 -1.57 0.00 0.00 175.55 173.00 1jze s MET 109 N -3.20 0.89 -0.05 -0.62 -1.94 0.24 -1.68 119.30 112.95 1jze s MET 109 Ca 0.27 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 53.97 1jze s MET 109 Cb -0.06 -0.84 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 1jze s MET 109 CO 0.14 0.11 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.60 1jze s PHE 110 N 0.16 2.91 0.26 -0.03 -0.71 -0.65 -2.32 117.98 117.60 1jze s PHE 110 Ca -0.02 -0.00 -0.21 0.00 -1.04 0.00 0.00 56.93 55.65 1jze s PHE 110 Cb -0.08 -1.68 0.03 0.00 -1.21 0.00 0.00 43.02 40.07 1jze s PHE 110 CO 0.00 0.33 0.72 -0.59 -1.34 0.00 0.00 175.22 174.34 1jze s PHE 111 N -0.84 -0.22 -0.15 3.49 -0.71 -0.10 -0.44 117.98 119.00 1jze s PHE 111 Ca 0.13 -0.21 -0.07 0.00 -1.04 0.00 0.00 56.93 55.74 1jze s PHE 111 Cb -0.11 0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1jze s PHE 111 CO 0.03 -1.19 0.11 0.00 -1.34 0.00 0.00 175.22 172.83 1jze n THR 113 N 2.70 0.29 -1.96 0.00 -2.24 -1.26 -3.08 114.28 108.72 1jze n THR 113 Ca -0.18 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 1jze n THR 113 Cb 0.54 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1jze n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jze s PHE 114 N -1.71 2.99 -0.39 4.78 2.19 -1.26 -4.30 117.98 120.27 1jze s PHE 114 Ca 0.35 0.89 -0.36 0.00 0.33 0.00 0.00 56.93 58.14 1jze s PHE 114 Cb 0.21 -3.89 -0.15 0.00 -1.31 0.00 0.00 43.02 37.88 1jze s PHE 114 CO 0.30 -3.00 1.42 -2.30 1.83 0.00 0.00 175.22 173.47 1jze n PRO 115 N 2.71 0.00 0.00 10.12 -0.02 -1.26 -1.05 135.00 145.50 1jze n PRO 115 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1jze n PRO 115 Cb 0.39 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1jze n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jze n GLY 116 N 4.20 2.92 0.23 -1.23 0.00 -1.26 -4.89 105.19 105.16 1jze n GLY 116 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1jze n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jze h HIS 117 N 0.00 0.78 0.00 1.61 3.86 -1.37 -3.10 115.15 116.93 1jze h HIS 117 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1jze h HIS 117 Cb 0.00 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1jze h HIS 117 CO 0.00 0.71 0.36 0.66 0.86 0.00 0.00 177.93 180.52 1jze h SER 118 N 0.62 0.00 -0.46 2.45 4.64 -1.71 0.42 113.55 119.50 1jze h SER 118 Ca 0.15 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1jze h SER 118 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1jze h SER 118 CO 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.74 1jze h ALA 119 N 1.12 0.65 0.00 5.18 0.00 -1.88 -3.36 119.26 120.96 1jze h ALA 119 Ca 0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 54.91 54.14 1jze h ALA 119 Cb 0.72 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1jze h ALA 119 CO 0.00 0.64 -2.24 1.28 0.00 0.00 0.00 179.25 178.93 1jze n LEU 120 N -4.14 1.95 -4.06 0.00 4.32 0.01 -4.80 117.00 110.28 1jze n LEU 120 Ca -0.00 0.35 -0.40 0.00 -0.02 0.00 0.00 56.01 55.93 1jze n LEU 120 Cb 0.46 -0.82 -0.02 0.00 -1.62 0.00 0.00 43.42 41.42 1jze n LEU 120 CO 0.46 0.43 2.19 0.23 -1.22 0.00 0.00 177.39 179.48 1jze n MET 121 N -4.29 2.44 -4.07 3.23 2.81 0.13 -4.83 117.12 112.54 1jze n MET 121 Ca -0.47 -2.59 -0.13 0.00 -1.81 0.00 0.00 57.70 52.70 1jze n MET 121 Cb 0.82 -3.33 -0.05 0.00 -0.71 0.00 0.00 33.22 29.95 1jze n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1jze s LYS 122 N 4.38 1.73 0.02 0.03 0.00 -1.26 -2.27 119.74 122.38 1jze s LYS 122 Ca 0.54 -1.59 -0.21 0.00 0.00 0.00 0.00 55.97 54.72 1jze s LYS 122 Cb 0.09 0.44 0.07 0.00 0.00 0.00 0.00 37.83 38.43 1jze s LYS 122 CO 0.04 -0.71 0.96 0.41 0.00 0.00 0.00 175.35 176.05 1jze n GLY 123 N -0.48 0.41 3.74 0.59 0.00 0.41 -4.78 105.19 105.08 1jze n GLY 123 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1jze n GLY 123 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jze s THR 124 N -2.07 4.40 -0.08 2.61 -1.32 0.14 -1.64 115.64 117.67 1jze s THR 124 Ca 0.22 -0.66 -0.03 0.00 -1.21 0.00 0.00 61.69 60.01 1jze s THR 124 Cb -0.01 -3.05 0.05 0.00 -1.51 0.00 0.00 72.50 67.98 1jze s THR 124 CO 0.01 0.25 0.16 -0.22 -2.21 0.00 0.00 174.62 172.61 1jze s LEU 125 N -1.98 0.10 0.08 9.08 0.20 -0.67 0.44 118.68 125.92 1jze s LEU 125 Ca 0.24 0.33 0.06 0.00 0.69 0.00 0.00 54.13 55.46 1jze s LEU 125 Cb -0.12 0.30 -0.03 0.00 -0.43 0.00 0.00 46.19 45.91 1jze s LEU 125 CO 0.16 -0.22 -0.17 0.42 -0.29 0.00 0.00 176.35 176.25 1jze s THR 126 N 2.04 1.34 -0.36 3.68 -4.23 -0.54 -1.82 115.64 115.76 1jze s THR 126 Ca 0.00 -1.38 -0.19 0.00 -1.18 0.00 0.00 61.69 58.95 1jze s THR 126 Cb -0.12 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1jze s THR 126 CO -0.06 -0.14 0.54 -0.22 -0.54 0.00 0.00 174.62 174.20 1jze s LEU 127 N -1.76 4.36 0.00 4.79 2.96 -1.26 -1.16 118.68 126.61 1jze s LEU 127 Ca 0.01 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1jze s LEU 127 Cb -0.10 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.96 1jze s LEU 127 CO 0.03 -0.53 0.48 1.17 -1.32 0.00 0.00 176.35 176.18