#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gzj n ARG 5 N 0.00 0.15 -0.14 1.64 1.74 -1.26 -2.97 116.66 115.82 2gzj n ARG 5 Ca 0.00 0.46 0.04 0.00 -0.77 0.00 0.00 57.85 57.58 2gzj n ARG 5 Cb 0.00 -1.83 0.11 0.00 -1.02 0.00 0.00 32.46 29.73 2gzj n ARG 5 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2gzj n ASN 6 N -2.12 2.69 -4.84 0.55 3.02 -1.26 -0.54 115.26 112.76 2gzj n ASN 6 Ca 0.01 -2.22 -0.36 0.00 -0.03 0.00 0.00 54.58 51.98 2gzj n ASN 6 Cb 0.17 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.06 2gzj n ASN 6 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2gzj s LYS 7 N -1.38 3.58 0.40 3.52 2.36 -1.16 -4.73 119.74 122.33 2gzj s LYS 7 Ca 0.19 -0.17 -0.25 0.00 -2.55 0.00 0.00 55.97 53.19 2gzj s LYS 7 Cb 0.12 -3.22 -0.11 0.00 -1.05 0.00 0.00 37.83 33.58 2gzj s LYS 7 CO 0.09 0.67 1.03 -2.30 1.55 0.00 0.00 175.35 176.38 2gzj n PRO 8 N 2.32 1.40 -3.61 4.03 -0.02 -1.13 -4.56 135.00 133.42 2gzj n PRO 8 Ca -0.19 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.67 2gzj n PRO 8 Cb 0.54 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 2gzj n PRO 8 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2gzj s GLY 9 N -0.69 -0.32 0.03 -1.23 0.00 -0.57 -4.98 107.32 99.55 2gzj s GLY 9 Ca 0.62 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.34 2gzj s GLY 9 CO 0.57 -0.12 0.44 0.54 0.00 0.00 0.00 173.10 174.53 2gzj s LYS 10 N -3.37 3.94 0.30 2.90 1.02 -1.26 -0.74 119.74 122.53 2gzj s LYS 10 Ca 0.00 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 2gzj s LYS 10 Cb 0.01 -3.17 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 2gzj s LYS 10 CO -0.09 0.65 1.16 0.00 -0.92 0.00 0.00 175.35 176.16 2gzj s ALA 11 N -1.15 3.42 0.29 5.17 0.00 -0.71 -4.77 121.76 124.01 2gzj s ALA 11 Ca 0.27 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.26 2gzj s ALA 11 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2gzj s ALA 11 CO 0.15 -0.32 0.14 0.95 0.00 0.00 0.00 175.76 176.68 2gzj s THR 12 N -1.17 0.38 0.00 0.00 -4.23 -0.76 -0.97 115.64 108.88 2gzj s THR 12 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2gzj s THR 12 Cb -0.34 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2gzj s THR 12 CO 0.44 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 2gzj n GLY 13 N -0.55 0.84 0.07 3.99 0.00 -1.26 -0.14 105.19 108.14 2gzj n GLY 13 Ca 0.01 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 2gzj n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gzj n LYS 14 N 1.24 1.01 0.00 1.61 5.02 -1.26 -4.82 118.16 120.96 2gzj n LYS 14 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2gzj n LYS 14 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2gzj n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gzj n GLY 15 N 1.82 -1.13 3.11 0.72 0.00 -1.26 -4.26 105.19 104.19 2gzj n GLY 15 Ca -0.24 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2gzj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gzj s LYS 16 N 0.00 0.66 0.28 1.61 -0.14 -0.69 -4.66 119.74 116.80 2gzj s LYS 16 Ca 0.00 -1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 53.21 2gzj s LYS 16 Cb 0.00 -0.11 -0.11 0.00 -1.68 0.00 0.00 37.83 35.94 2gzj s LYS 16 CO 0.00 -0.02 1.53 -2.14 -0.76 0.00 0.00 175.35 173.96 2gzj s PRO 17 N -3.09 4.18 0.28 -1.68 0.02 -1.26 -0.83 135.00 132.61 2gzj s PRO 17 Ca 0.03 2.47 0.06 0.00 0.02 0.00 0.00 61.00 63.58 2gzj s PRO 17 Cb 0.01 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 2gzj s PRO 17 CO -0.04 -0.55 -0.04 0.14 -0.33 0.00 0.00 177.00 176.18 2gzj s VAL 18 N -0.04 1.54 0.00 3.83 -7.23 -1.26 -4.94 120.40 112.30 2gzj s VAL 18 Ca 0.61 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2gzj s VAL 18 Cb -0.45 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2gzj s VAL 18 CO 0.47 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2gzj n GLY 19 N -0.57 7.35 0.24 2.32 0.00 -1.26 -5.02 105.19 108.25 2gzj n GLY 19 Ca -0.05 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.12 2gzj n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gzj h ASP 20 N 0.00 0.00 -0.14 1.61 3.32 -2.00 -2.50 116.42 116.71 2gzj h ASP 20 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gzj h ASP 20 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gzj h ASP 20 CO 0.00 0.11 0.00 1.17 -1.72 0.00 0.00 179.24 178.80 2gzj n LYS 21 N -4.31 1.36 -0.24 3.56 4.81 -1.26 -4.49 118.16 117.58 2gzj n LYS 21 Ca -0.03 -0.53 -0.12 0.00 -0.87 0.00 0.00 58.31 56.77 2gzj n LYS 21 Cb 0.18 -1.14 -0.08 0.00 0.02 0.00 0.00 35.03 34.01 2gzj n LYS 21 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 2gzj h TRP 22 N 0.85 -1.66 0.00 5.64 7.01 -1.84 0.06 115.95 126.01 2gzj h TRP 22 Ca 0.00 0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2gzj h TRP 22 Cb 0.22 0.81 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 2gzj h TRP 22 CO 0.10 -0.44 0.00 -0.07 -2.79 0.00 0.00 178.44 175.24 2gzj h LEU 23 N -0.24 0.00 -0.96 0.65 3.38 -1.87 -2.45 115.31 113.82 2gzj h LEU 23 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2gzj h LEU 23 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2gzj h LEU 23 CO -0.72 0.00 0.14 0.44 0.09 0.00 0.00 178.44 178.38 2gzj h ASP 24 N 0.00 0.84 0.34 -0.43 5.19 -1.31 -2.65 116.42 118.40 2gzj h ASP 24 Ca 0.00 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2gzj h ASP 24 Cb 0.56 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 2gzj h ASP 24 CO 0.00 0.82 -0.01 0.44 -3.12 0.00 0.00 179.24 177.37 2gzj h ASP 25 N 0.86 0.00 0.68 6.45 3.45 -0.91 -2.74 116.42 124.21 2gzj h ASP 25 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 2gzj h ASP 25 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2gzj h ASP 25 CO -0.00 0.01 0.00 0.00 -1.57 0.00 0.00 179.24 177.68 2gzj h ALA 26 N 1.99 1.00 -0.25 3.45 0.00 -1.54 -2.33 119.26 121.58 2gzj h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gzj h ALA 26 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gzj h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2gzj n GLY 27 N -0.33 0.49 3.09 0.00 0.00 -1.03 -1.76 105.19 105.64 2gzj n GLY 27 Ca -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 2gzj n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gzj s LYS 28 N -1.67 0.64 6.40 1.61 1.02 -0.88 -4.77 119.74 122.09 2gzj s LYS 28 Ca 0.29 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2gzj s LYS 28 Cb 0.16 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 2gzj s LYS 28 CO 0.23 0.12 0.00 -0.25 -0.92 0.00 0.00 175.35 174.52 2gzj n ASP 29 N 1.65 0.00 -0.85 2.83 8.00 -1.26 -1.16 116.55 125.76 2gzj n ASP 29 Ca -0.21 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.37 2gzj n ASP 29 Cb 0.55 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.85 2gzj n ASP 29 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2gzj n SER 30 N 4.70 2.46 0.00 -2.24 7.64 -1.26 -4.94 113.62 119.98 2gzj n SER 30 Ca 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.86 2gzj n SER 30 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2gzj n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gzj n GLY 31 N 1.18 -0.21 3.86 0.23 0.00 -0.31 -4.82 105.19 105.14 2gzj n GLY 31 Ca 0.15 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2gzj n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gzj s ALA 32 N -1.12 3.43 0.80 4.61 0.00 -0.00 -4.79 121.76 124.68 2gzj s ALA 32 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 2gzj s ALA 32 Cb 0.00 -2.62 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2gzj s ALA 32 CO 0.00 0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.96 2gzj s PRO 33 N -3.03 2.05 0.06 0.00 0.04 -1.26 -0.49 135.00 132.36 2gzj s PRO 33 Ca 0.51 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 2gzj s PRO 33 Cb -0.11 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2gzj s PRO 33 CO 0.21 -1.66 1.40 0.42 0.04 0.00 0.00 177.00 177.40 2gzj s ILE 34 N -3.11 3.52 0.34 0.56 -1.09 -1.25 -4.66 121.20 115.50 2gzj s ILE 34 Ca 0.61 1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 59.76 2gzj s ILE 34 Cb -0.15 -3.65 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 2gzj s ILE 34 CO 0.55 0.04 1.50 -2.65 -1.23 0.00 0.00 174.94 173.14 2gzj n PRO 35 N 4.65 2.61 -0.32 2.79 -0.02 -1.26 -1.71 135.00 141.74 2gzj n PRO 35 Ca 0.12 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.65 2gzj n PRO 35 Cb 0.43 -2.65 0.31 0.00 -0.02 0.00 0.00 33.50 31.57 2gzj n PRO 35 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2gzj h ASP 36 N 3.51 0.55 -0.60 2.55 3.04 -1.16 -1.28 116.42 123.01 2gzj h ASP 36 Ca -0.49 0.12 -0.05 0.00 -3.24 0.00 0.00 57.03 53.38 2gzj h ASP 36 Cb 1.24 0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 39.55 2gzj h ASP 36 CO 0.69 0.13 0.21 0.03 -2.04 0.00 0.00 179.24 178.26 2gzj h ARG 37 N 0.57 0.96 -0.23 4.15 3.08 -1.87 -0.90 114.38 120.14 2gzj h ARG 37 Ca 0.56 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 2gzj h ARG 37 Cb 0.97 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2gzj h ARG 37 CO -0.45 0.82 -0.14 0.82 -1.07 0.00 0.00 179.97 179.95 2gzj h ILE 38 N 0.93 1.31 -0.97 2.04 1.08 -1.66 -3.08 117.51 117.17 2gzj h ILE 38 Ca 0.21 -1.25 0.06 0.00 -0.39 0.00 0.00 64.86 63.49 2gzj h ILE 38 Cb 0.25 1.63 -0.06 0.00 -3.07 0.00 0.00 36.82 35.57 2gzj h ILE 38 CO -0.01 0.38 0.63 0.00 -0.69 0.00 0.00 178.15 178.46 2gzj h ALA 39 N 0.70 1.44 -0.75 1.87 0.00 -0.91 -1.26 119.26 120.35 2gzj h ALA 39 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2gzj h ALA 39 Cb 0.66 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2gzj h ALA 39 CO 0.04 0.42 0.49 -0.44 0.00 0.00 0.00 179.25 179.77 2gzj h ASP 40 N 1.13 0.75 0.68 0.00 3.32 -1.11 0.07 116.42 121.27 2gzj h ASP 40 Ca 0.41 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.22 2gzj h ASP 40 Cb 0.16 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2gzj h ASP 40 CO -0.16 0.51 -1.09 0.11 -1.72 0.00 0.00 179.24 176.88 2gzj h LYS 41 N 0.87 0.20 0.00 3.56 1.79 -1.18 -3.37 116.57 118.44 2gzj h LYS 41 Ca 0.31 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2gzj h LYS 41 Cb 0.13 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2gzj h LYS 41 CO -0.09 1.11 -1.57 1.28 -1.08 0.00 0.00 179.45 179.09 2gzj n LEU 42 N -3.53 0.43 -4.63 2.94 4.77 -0.70 -4.89 117.00 111.38 2gzj n LEU 42 Ca -0.05 0.17 -0.46 0.00 -0.03 0.00 0.00 56.01 55.64 2gzj n LEU 42 Cb 0.95 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 42.03 2gzj n LEU 42 CO 0.51 -0.02 0.84 0.54 -1.33 0.00 0.00 177.39 177.93 2gzj n ARG 43 N -2.53 1.65 -0.38 3.23 1.74 -0.01 -2.10 116.66 118.26 2gzj n ARG 43 Ca -0.05 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 2gzj n ARG 43 Cb 0.64 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2gzj n ARG 43 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gzj n ASP 44 N 1.88 0.00 -4.75 0.55 8.00 -0.14 -4.95 116.55 117.13 2gzj n ASP 44 Ca 0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 2gzj n ASP 44 Cb 0.30 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 2gzj n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2gzj s LYS 45 N -0.05 4.75 0.01 -1.24 1.02 -0.89 -4.80 119.74 118.55 2gzj s LYS 45 Ca 0.00 1.63 -0.21 0.00 0.02 0.00 0.00 55.97 57.41 2gzj s LYS 45 Cb 0.00 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 2gzj s LYS 45 CO 0.00 0.36 0.63 -2.00 -0.92 0.00 0.00 175.35 173.42 2gzj s GLU 46 N -1.20 4.35 -0.04 1.68 2.12 -1.26 -1.73 118.70 122.61 2gzj s GLU 46 Ca 0.43 0.81 0.05 0.00 0.36 0.00 0.00 54.97 56.62 2gzj s GLU 46 Cb -0.29 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 2gzj s GLU 46 CO 0.36 0.38 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.19 2gzj s PHE 47 N -0.25 1.95 0.30 5.30 0.40 0.08 -4.99 117.98 120.78 2gzj s PHE 47 Ca 0.32 -0.54 0.11 0.00 -0.60 0.00 0.00 56.93 56.23 2gzj s PHE 47 Cb -0.19 -1.29 0.48 0.00 0.51 0.00 0.00 43.02 42.52 2gzj s PHE 47 CO 0.19 -0.16 1.68 0.87 0.70 0.00 0.00 175.22 178.50 2gzj h LYS 48 N 6.09 0.00 -3.40 0.44 6.56 -1.89 -1.51 116.57 122.86 2gzj h LYS 48 Ca -0.33 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.23 2gzj h LYS 48 Cb 1.17 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.73 2gzj h LYS 48 CO 0.48 0.54 -0.02 -1.54 -2.06 0.00 0.00 179.45 176.84 2gzj s SER 49 N -6.87 -0.20 0.33 0.86 1.04 -1.26 -2.85 113.70 104.74 2gzj s SER 49 Ca -0.02 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2gzj s SER 49 Cb 0.13 0.57 0.58 0.00 0.10 0.00 0.00 66.02 67.40 2gzj s SER 49 CO 0.75 -1.06 1.87 0.15 0.98 0.00 0.00 173.24 175.93 2gzj h PHE 50 N 2.23 0.59 -0.94 5.02 3.57 -1.14 -2.58 116.94 123.70 2gzj h PHE 50 Ca -0.28 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.20 2gzj h PHE 50 Cb 1.26 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 2gzj h PHE 50 CO 0.37 0.56 0.61 -0.44 -2.23 0.00 0.00 178.31 177.17 2gzj h ASP 51 N 0.55 1.01 -0.72 0.41 3.32 -1.97 0.13 116.42 119.16 2gzj h ASP 51 Ca 0.12 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2gzj h ASP 51 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2gzj h ASP 51 CO 0.01 0.68 0.28 0.44 -1.72 0.00 0.00 179.24 178.93 2gzj h ASP 52 N 1.17 0.99 -0.40 6.45 3.45 -1.87 -1.72 116.42 124.49 2gzj h ASP 52 Ca 0.38 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.67 2gzj h ASP 52 Cb 0.03 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 2gzj h ASP 52 CO -0.13 0.90 0.24 0.15 -1.57 0.00 0.00 179.24 178.82 2gzj h PHE 53 N 1.03 0.53 -0.37 4.55 3.57 -1.09 -2.27 116.94 122.88 2gzj h PHE 53 Ca 0.24 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 2gzj h PHE 53 Cb 0.22 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2gzj h PHE 53 CO 0.02 0.38 0.12 -0.09 -2.23 0.00 0.00 178.31 176.51 2gzj h ARG 54 N 0.52 0.26 -0.74 1.11 2.43 -0.67 -0.61 114.38 116.69 2gzj h ARG 54 Ca 0.14 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2gzj h ARG 54 Cb 0.01 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 2gzj h ARG 54 CO -0.03 0.17 0.42 -0.22 -1.51 0.00 0.00 179.97 178.80 2gzj h LYS 55 N 0.27 0.73 -0.71 0.20 3.64 -1.22 -2.49 116.57 116.99 2gzj h LYS 55 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2gzj h LYS 55 Cb 0.16 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2gzj h LYS 55 CO -0.18 0.48 0.17 0.00 -2.27 0.00 0.00 179.45 177.65 2gzj h ALA 56 N 1.39 0.96 -0.06 5.00 0.00 -0.74 -1.46 119.26 124.34 2gzj h ALA 56 Ca 0.34 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2gzj h ALA 56 Cb 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2gzj h ALA 56 CO -0.20 0.67 -0.20 0.28 0.00 0.00 0.00 179.25 179.79 2gzj h VAL 57 N 1.08 0.51 -0.29 0.00 2.07 -0.71 -0.68 116.25 118.22 2gzj h VAL 57 Ca 0.22 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.61 2gzj h VAL 57 Cb 0.37 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2gzj h VAL 57 CO 0.00 0.00 -0.36 -0.50 0.02 0.00 0.00 177.57 176.73 2gzj h TRP 58 N -0.29 0.78 -0.69 1.57 4.06 -1.26 -0.95 115.95 119.18 2gzj h TRP 58 Ca 0.08 -0.21 0.02 0.00 2.06 0.00 0.00 58.89 60.84 2gzj h TRP 58 Cb 0.40 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 2gzj h TRP 58 CO -0.28 0.93 0.44 0.93 -3.56 0.00 0.00 178.44 176.90 2gzj h GLU 59 N 0.55 0.84 -0.38 0.49 5.08 -1.17 -1.20 114.58 118.79 2gzj h GLU 59 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2gzj h GLU 59 Cb 0.87 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2gzj h GLU 59 CO 0.08 0.56 -0.17 0.93 -1.00 0.00 0.00 179.01 179.40 2gzj h GLU 60 N 0.87 0.72 -0.59 2.33 4.39 -0.56 -2.61 114.58 119.13 2gzj h GLU 60 Ca 0.27 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2gzj h GLU 60 Cb -0.01 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2gzj h GLU 60 CO -0.09 0.85 0.35 0.28 -1.16 0.00 0.00 179.01 179.24 2gzj h VAL 61 N 0.64 1.06 -0.54 3.13 2.07 -0.78 -1.87 116.25 119.95 2gzj h VAL 61 Ca 0.10 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.47 2gzj h VAL 61 Cb 0.65 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2gzj h VAL 61 CO 0.05 0.13 0.37 0.77 0.02 0.00 0.00 177.57 178.90 2gzj h SER 62 N 0.69 0.34 0.45 0.57 4.64 -0.87 -2.11 113.55 117.26 2gzj h SER 62 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2gzj h SER 62 Cb 0.04 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2gzj h SER 62 CO -0.11 0.21 -0.58 0.29 -0.87 0.00 0.00 176.83 175.77 2gzj n LYS 63 N -4.47 0.02 -3.18 4.77 5.02 -0.86 -4.84 118.16 114.62 2gzj n LYS 63 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 2gzj n LYS 63 Cb 0.33 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2gzj n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gzj s ASP 64 N -3.07 6.47 0.57 4.39 2.15 -0.76 -4.96 116.67 121.45 2gzj s ASP 64 Ca 0.10 0.47 0.35 0.00 0.43 0.00 0.00 52.55 53.90 2gzj s ASP 64 Cb 0.17 -2.30 1.62 0.00 -0.30 0.00 0.00 42.92 42.11 2gzj s ASP 64 CO 0.73 -0.38 2.09 1.55 -0.17 0.00 0.00 175.17 178.99 2gzj h PRO 65 N 8.09 0.00 0.05 4.34 0.13 -1.89 -0.91 132.00 141.80 2gzj h PRO 65 Ca -0.28 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.54 2gzj h PRO 65 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2gzj h PRO 65 CO 0.76 0.04 -1.80 0.39 -0.23 0.00 0.00 178.00 177.15 2gzj n GLU 66 N -3.20 0.68 0.08 0.86 -0.58 -1.26 -3.86 120.64 113.36 2gzj n GLU 66 Ca -0.01 0.29 -0.22 0.00 -0.42 0.00 0.00 57.16 56.80 2gzj n GLU 66 Cb 0.24 -1.77 -0.15 0.00 -0.57 0.00 0.00 31.44 29.19 2gzj n GLU 66 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2gzj h LEU 67 N 0.03 0.60 -1.15 -4.62 3.38 -1.79 -3.35 115.31 108.41 2gzj h LEU 67 Ca -0.33 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 56.69 2gzj h LEU 67 Cb 2.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2gzj h LEU 67 CO 0.08 1.52 -0.08 0.77 0.09 0.00 0.00 178.44 180.83 2gzj h SER 68 N -0.18 0.00 0.34 -0.43 4.64 -1.25 -3.13 113.55 113.55 2gzj h SER 68 Ca -0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2gzj h SER 68 Cb 1.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2gzj h SER 68 CO 0.19 0.08 -0.10 0.07 -0.87 0.00 0.00 176.83 176.20 2gzj h LYS 69 N 0.00 0.00 -0.69 4.77 2.10 -1.70 -1.89 116.57 119.16 2gzj h LYS 69 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gzj h LYS 69 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2gzj h LYS 69 CO 0.01 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.65 2gzj n ASN 70 N -3.64 4.19 -4.47 7.07 3.02 -1.18 -4.82 115.26 115.43 2gzj n ASN 70 Ca -0.02 -2.60 -0.31 0.00 -0.03 0.00 0.00 54.58 51.62 2gzj n ASN 70 Cb 0.22 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 38.66 2gzj n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2gzj s LEU 71 N -1.85 2.68 0.90 3.41 1.43 -0.71 -5.09 118.68 119.45 2gzj s LEU 71 Ca 0.38 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 2gzj s LEU 71 Cb 0.28 -1.56 0.13 0.00 0.03 0.00 0.00 46.19 45.07 2gzj s LEU 71 CO 0.12 0.27 1.14 0.54 0.23 0.00 0.00 176.35 178.65 2gzj s ASN 72 N -1.34 3.65 0.28 2.29 6.03 -1.26 -4.72 114.94 119.86 2gzj s ASN 72 Ca 0.15 0.95 0.02 0.00 -1.03 0.00 0.00 52.86 52.94 2gzj s ASN 72 Cb -0.11 -1.52 0.60 0.00 -3.03 0.00 0.00 41.25 37.20 2gzj s ASN 72 CO 0.05 -2.46 1.79 -0.65 -2.03 0.00 0.00 177.10 173.79 2gzj h PRO 73 N -1.44 0.74 -0.29 3.55 0.11 -1.99 0.04 132.00 132.73 2gzj h PRO 73 Ca -0.50 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 2gzj h PRO 73 Cb 1.33 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2gzj h PRO 73 CO 0.62 0.49 -0.45 0.77 -0.21 0.00 0.00 178.00 179.23 2gzj h SER 74 N 0.76 0.80 0.25 -2.05 0.02 -2.00 -1.85 113.55 109.48 2gzj h SER 74 Ca 0.51 -0.38 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2gzj h SER 74 Cb 0.69 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2gzj h SER 74 CO -0.34 1.13 -0.46 0.78 -1.14 0.00 0.00 176.83 176.79 2gzj h ASN 75 N 0.59 0.28 -0.62 3.07 2.35 -1.80 -2.57 115.58 116.88 2gzj h ASN 75 Ca 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2gzj h ASN 75 Cb 1.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 2gzj h ASN 75 CO 0.10 0.70 0.35 0.11 -1.65 0.00 0.00 177.43 177.03 2gzj h LYS 76 N 0.21 0.85 -0.88 0.81 1.57 -0.82 -1.79 116.57 116.53 2gzj h LYS 76 Ca 0.01 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2gzj h LYS 76 Cb 0.90 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.98 2gzj h LYS 76 CO 0.07 0.64 0.56 0.77 -0.57 0.00 0.00 179.45 180.92 2gzj h SER 77 N 0.84 0.91 0.22 0.86 0.02 -1.16 -1.86 113.55 113.38 2gzj h SER 77 Ca 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2gzj h SER 77 Cb 0.03 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2gzj h SER 77 CO -0.04 0.61 -0.11 0.28 -1.14 0.00 0.00 176.83 176.44 2gzj h SER 78 N 1.06 -0.25 0.50 3.07 0.02 -1.06 -3.01 113.55 113.89 2gzj h SER 78 Ca 0.36 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 2gzj h SER 78 Cb 0.07 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2gzj h SER 78 CO -0.14 -0.11 -0.22 -0.37 -1.14 0.00 0.00 176.83 174.85 2gzj h VAL 79 N -0.37 0.76 0.00 2.27 -1.51 -1.15 -1.27 116.25 114.99 2gzj h VAL 79 Ca -0.03 -0.89 -0.02 0.00 -1.23 0.00 0.00 66.70 64.53 2gzj h VAL 79 Cb 0.28 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2gzj h VAL 79 CO 0.05 0.21 -0.10 0.77 -1.23 0.00 0.00 177.57 177.27 2gzj h SER 80 N 0.00 0.00 0.09 4.19 4.64 -1.21 0.33 113.55 121.59 2gzj h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gzj h SER 80 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2gzj h SER 80 CO 0.03 0.10 -0.07 0.29 -0.87 0.00 0.00 176.83 176.31 2gzj n LYS 81 N -3.57 1.29 -0.99 4.77 4.76 -0.52 -4.92 118.16 118.99 2gzj n LYS 81 Ca -0.02 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 2gzj n LYS 81 Cb 0.23 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2gzj n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gzj n GLY 82 N 1.20 0.48 3.87 0.72 0.00 0.10 -5.02 105.19 106.55 2gzj n GLY 82 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2gzj n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gzj s TYR 83 N -2.00 3.49 0.25 1.61 2.02 -0.95 -4.50 117.35 117.27 2gzj s TYR 83 Ca 0.00 1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 57.55 2gzj s TYR 83 Cb 0.00 -2.54 -0.09 0.00 -0.40 0.00 0.00 41.96 38.93 2gzj s TYR 83 CO 0.00 -0.24 1.16 -1.12 -1.57 0.00 0.00 175.55 173.77 2gzj s SER 84 N -3.34 7.15 0.62 2.29 0.01 -1.26 -3.86 113.70 115.32 2gzj s SER 84 Ca 0.53 2.29 -0.14 0.00 1.31 0.00 0.00 55.95 59.94 2gzj s SER 84 Cb -0.10 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2gzj s SER 84 CO 0.35 -0.27 1.05 -2.16 0.41 0.00 0.00 173.24 172.62 2gzj s PRO 85 N -1.00 3.24 0.29 12.44 0.04 -1.26 -4.75 135.00 144.01 2gzj s PRO 85 Ca 0.48 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 2gzj s PRO 85 Cb -0.33 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2gzj s PRO 85 CO 0.40 -0.86 1.13 -0.06 0.04 0.00 0.00 177.00 177.65 2gzj s PHE 86 N -2.65 3.49 0.59 0.56 0.40 -1.26 -2.11 117.98 117.01 2gzj s PHE 86 Ca 0.62 1.66 -0.04 0.00 -0.60 0.00 0.00 56.93 58.56 2gzj s PHE 86 Cb -0.15 -3.34 0.02 0.00 0.51 0.00 0.00 43.02 40.06 2gzj s PHE 86 CO 0.42 -0.75 0.88 0.95 0.70 0.00 0.00 175.22 177.42 2gzj s THR 87 N -1.17 3.19 0.53 0.64 -4.23 -0.44 -4.88 115.64 109.27 2gzj s THR 87 Ca 0.46 -0.24 -0.21 0.00 -1.18 0.00 0.00 61.69 60.52 2gzj s THR 87 Cb -0.33 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 2gzj s THR 87 CO 0.42 -0.26 0.91 -2.65 -0.54 0.00 0.00 174.62 172.51 2gzj n PRO 88 N -2.56 1.02 -0.25 3.99 -0.02 -1.26 -4.87 135.00 131.03 2gzj n PRO 88 Ca 0.05 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 2gzj n PRO 88 Cb 0.59 -2.05 0.19 0.00 -0.02 0.00 0.00 33.50 32.20 2gzj n PRO 88 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2gzj h LYS 89 N 0.85 0.28 0.00 -0.52 3.64 -1.97 -1.82 116.57 117.04 2gzj h LYS 89 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2gzj h LYS 89 Cb 1.36 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2gzj h LYS 89 CO 0.52 0.19 0.00 0.27 -2.27 0.00 0.00 179.45 178.16 2gzj n ASN 90 N -5.14 0.00 -0.54 4.20 0.23 -1.26 -1.52 115.26 111.23 2gzj n ASN 90 Ca 0.15 -0.34 0.11 0.00 -0.53 0.00 0.00 54.58 53.97 2gzj n ASN 90 Cb 0.47 -0.17 0.05 0.00 -2.08 0.00 0.00 39.78 38.05 2gzj n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gzj n GLN 91 N -1.17 1.35 -2.97 -3.83 1.13 -0.69 -4.95 117.38 106.26 2gzj n GLN 91 Ca 0.14 -1.09 -0.33 0.00 -1.94 0.00 0.00 57.00 53.78 2gzj n GLN 91 Cb 0.14 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 2gzj n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2gzj s GLN 92 N -2.40 4.13 -0.22 -1.09 -0.21 -0.57 -1.45 119.66 117.84 2gzj s GLN 92 Ca 0.21 0.91 -0.03 0.00 0.02 0.00 0.00 55.36 56.47 2gzj s GLN 92 Cb 0.19 -2.30 0.07 0.00 1.00 0.00 0.00 33.01 31.97 2gzj s GLN 92 CO 0.52 0.06 0.08 0.08 -2.12 0.00 0.00 175.29 173.91 2gzj s VAL 93 N -2.09 0.27 0.00 1.09 1.01 -0.31 -4.78 120.40 115.59 2gzj s VAL 93 Ca 0.58 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2gzj s VAL 93 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2gzj s VAL 93 CO 0.15 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2gzj n GLY 94 N 5.13 3.52 0.03 4.51 0.00 -1.26 -1.64 105.19 115.48 2gzj n GLY 94 Ca -0.07 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.96 2gzj n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gzj n GLY 95 N 0.00 -0.93 3.37 -0.02 0.00 -1.26 -4.60 105.19 101.75 2gzj n GLY 95 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 2gzj n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gzj s ARG 96 N -1.99 3.03 0.00 1.61 0.52 -0.65 -4.87 118.95 116.60 2gzj s ARG 96 Ca 0.27 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2gzj s ARG 96 Cb 0.13 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.36 2gzj s ARG 96 CO 0.21 -1.37 0.36 1.63 0.02 0.00 0.00 175.30 176.16 2gzj n LYS 97 N 5.85 0.27 -4.45 3.54 5.02 -1.26 -1.17 118.16 125.96 2gzj n LYS 97 Ca -0.11 -0.36 -0.23 0.00 -2.02 0.00 0.00 58.31 55.59 2gzj n LYS 97 Cb 0.42 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.48 2gzj n LYS 97 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gzj s VAL 98 N -0.14 2.11 0.48 -0.18 -7.23 -1.26 -1.33 120.40 112.85 2gzj s VAL 98 Ca 0.00 -2.28 -0.24 0.00 -1.81 0.00 0.00 61.98 57.65 2gzj s VAL 98 Cb 0.00 -2.33 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 2gzj s VAL 98 CO 0.00 -0.39 1.40 -0.31 -0.31 0.00 0.00 175.10 175.49 2gzj s TYR 99 N -2.73 2.41 -0.05 2.82 1.51 -0.89 -4.30 117.35 116.12 2gzj s TYR 99 Ca 0.29 1.30 0.05 0.00 -1.01 0.00 0.00 57.07 57.70 2gzj s TYR 99 Cb -0.01 -3.88 -0.01 0.00 -0.11 0.00 0.00 41.96 37.95 2gzj s TYR 99 CO 0.13 -2.92 -0.21 -1.21 -1.11 0.00 0.00 175.55 170.23 2gzj s GLU 100 N -2.59 2.16 0.14 -0.62 2.02 0.37 -4.85 118.70 115.34 2gzj s GLU 100 Ca 0.64 -0.77 -0.26 0.00 0.02 0.00 0.00 54.97 54.61 2gzj s GLU 100 Cb -0.43 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 31.87 2gzj s GLU 100 CO 0.53 0.33 0.80 -0.51 0.02 0.00 0.00 175.26 176.43 2gzj s LEU 101 N -0.10 4.56 -0.01 1.80 1.43 -1.26 -0.62 118.68 124.47 2gzj s LEU 101 Ca -0.03 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2gzj s LEU 101 Cb -0.12 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 2gzj s LEU 101 CO 0.03 0.15 -0.14 -2.28 0.23 0.00 0.00 176.35 174.33 2gzj s HIS 102 N -0.84 1.26 -0.23 0.29 5.65 0.21 -4.96 115.29 116.67 2gzj s HIS 102 Ca 0.37 -0.25 -0.15 0.00 0.25 0.00 0.00 55.06 55.29 2gzj s HIS 102 Cb -0.23 -0.81 -0.04 0.00 -1.18 0.00 0.00 32.58 30.32 2gzj s HIS 102 CO 0.26 -0.03 0.37 -1.01 -0.65 0.00 0.00 174.74 173.68 2gzj s HIS 103 N -0.29 3.32 0.01 3.88 3.76 -1.26 -0.54 115.29 124.17 2gzj s HIS 103 Ca 0.05 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.21 2gzj s HIS 103 Cb -0.06 -2.51 -0.17 0.00 1.11 0.00 0.00 32.58 30.95 2gzj s HIS 103 CO -0.00 -0.07 1.29 0.22 -0.85 0.00 0.00 174.74 175.32 2gzj h ASP 104 N 7.65 -0.23 -3.44 1.40 3.58 -1.33 -3.36 116.42 120.68 2gzj h ASP 104 Ca -0.35 -0.23 -0.61 0.00 0.42 0.00 0.00 57.03 56.26 2gzj h ASP 104 Cb 1.16 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 42.17 2gzj h ASP 104 CO 0.69 0.13 0.32 -0.75 -2.88 0.00 0.00 179.24 176.74 2gzj s LYS 105 N -4.70 4.01 0.44 0.28 2.20 -1.26 -5.03 119.74 115.67 2gzj s LYS 105 Ca -0.14 0.58 -0.26 0.00 -0.36 0.00 0.00 55.97 55.79 2gzj s LYS 105 Cb 0.02 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 2gzj s LYS 105 CO 0.59 -0.59 1.41 -2.30 -0.36 0.00 0.00 175.35 174.10 2gzj n PRO 106 N 6.02 2.24 -0.31 4.03 -0.02 -1.26 -4.17 135.00 141.54 2gzj n PRO 106 Ca 0.02 0.80 0.05 0.00 -2.02 0.00 0.00 63.50 62.35 2gzj n PRO 106 Cb 0.48 -2.60 0.24 0.00 -0.02 0.00 0.00 33.50 31.61 2gzj n PRO 106 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2gzj h ILE 107 N 2.32 1.03 -0.33 4.25 1.08 -1.88 -0.23 117.51 123.75 2gzj h ILE 107 Ca -0.50 -0.35 0.10 0.00 -0.39 0.00 0.00 64.86 63.72 2gzj h ILE 107 Cb 1.27 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 2gzj h ILE 107 CO 0.61 0.18 0.33 0.77 -0.69 0.00 0.00 178.15 179.35 2gzj h SER 108 N 1.01 0.00 -0.59 1.72 4.64 -1.90 -1.14 113.55 117.28 2gzj h SER 108 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2gzj h SER 108 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2gzj h SER 108 CO -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 2gzj n GLN 109 N -3.88 3.18 -0.41 4.77 6.02 -0.60 -4.93 117.38 121.53 2gzj n GLN 109 Ca 0.05 -2.65 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 2gzj n GLN 109 Cb 0.49 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2gzj n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gzj n GLY 110 N 1.07 0.78 3.61 1.08 0.00 -0.43 -4.95 105.19 106.35 2gzj n GLY 110 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2gzj n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gzj n GLY 111 N -2.33 -0.23 3.73 -0.02 0.00 -0.20 -4.93 105.19 101.21 2gzj n GLY 111 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2gzj n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gzj s GLU 112 N -2.10 4.51 0.09 1.61 0.41 -1.26 -4.44 118.70 117.51 2gzj s GLU 112 Ca 0.65 1.76 -0.15 0.00 -0.41 0.00 0.00 54.97 56.81 2gzj s GLU 112 Cb -0.54 -3.31 -0.11 0.00 -1.78 0.00 0.00 34.13 28.40 2gzj s GLU 112 CO 0.56 -0.09 1.37 0.28 -0.49 0.00 0.00 175.26 176.88 2gzj h VAL 113 N 4.09 1.31 -0.13 2.63 2.07 -1.94 -3.37 116.25 120.91 2gzj h VAL 113 Ca -0.43 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2gzj h VAL 113 Cb 1.21 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2gzj h VAL 113 CO 0.76 0.50 0.00 -1.22 0.02 0.00 0.00 177.57 177.63 2gzj n TYR 114 N -4.22 0.18 -2.77 1.57 4.02 -1.26 -4.94 117.16 109.74 2gzj n TYR 114 Ca -0.05 -0.45 -0.43 0.00 -0.01 0.00 0.00 57.90 56.96 2gzj n TYR 114 Cb 0.53 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 2gzj n TYR 114 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2gzj s ASP 115 N -0.94 6.67 0.59 7.72 -1.08 -1.26 -1.83 116.67 126.53 2gzj s ASP 115 Ca 0.09 0.53 0.36 0.00 -0.52 0.00 0.00 52.55 53.01 2gzj s ASP 115 Cb 0.05 -2.48 1.78 0.00 -1.46 0.00 0.00 42.92 40.81 2gzj s ASP 115 CO 0.06 -0.94 2.15 0.24 0.52 0.00 0.00 175.17 177.21 2gzj h MET 116 N 8.64 0.00 0.00 4.34 2.86 -0.86 0.11 114.93 130.01 2gzj h MET 116 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2gzj h MET 116 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2gzj h MET 116 CO 1.01 0.04 0.00 -0.44 1.06 0.00 0.00 176.91 178.58 2gzj h ASP 117 N 0.00 0.00 -0.51 1.22 3.32 -1.89 -2.47 116.42 116.08 2gzj h ASP 117 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gzj h ASP 117 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2gzj h ASP 117 CO 0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 2gzj n ASN 118 N -2.65 3.29 -4.43 6.45 5.15 0.37 -4.96 115.26 118.48 2gzj n ASN 118 Ca 0.02 -1.97 -0.31 0.00 -0.60 0.00 0.00 54.58 51.72 2gzj n ASN 118 Cb 0.28 -0.34 -0.13 0.00 -0.53 0.00 0.00 39.78 39.06 2gzj n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2gzj s ILE 119 N -1.33 2.61 0.05 -1.44 1.01 -0.93 -0.81 121.20 120.37 2gzj s ILE 119 Ca 0.41 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.84 2gzj s ILE 119 Cb 0.22 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2gzj s ILE 119 CO 0.30 0.34 -0.09 -0.13 0.00 0.00 0.00 174.94 175.37 2gzj s ARG 120 N -1.39 0.61 -0.20 2.79 1.81 0.30 -3.94 118.95 118.94 2gzj s ARG 120 Ca 0.14 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.17 2gzj s ARG 120 Cb -0.10 -0.37 -0.05 0.00 -0.45 0.00 0.00 34.95 33.98 2gzj s ARG 120 CO 0.04 0.06 0.22 0.08 -0.68 0.00 0.00 175.30 175.03 2gzj s VAL 121 N -1.63 5.34 0.14 3.52 1.01 0.36 -0.62 120.40 128.52 2gzj s VAL 121 Ca -0.06 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2gzj s VAL 121 Cb -0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2gzj s VAL 121 CO 0.00 0.37 -0.13 0.42 0.00 0.00 0.00 175.10 175.76 2gzj s THR 122 N 0.73 1.37 0.55 3.92 -4.23 0.20 -0.82 115.64 117.36 2gzj s THR 122 Ca 0.12 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2gzj s THR 122 Cb -0.13 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 2gzj s THR 122 CO 0.03 -0.53 0.95 0.42 -0.54 0.00 0.00 174.62 174.95 2gzj s THR 123 N -2.60 4.70 0.19 3.99 -4.23 -0.72 -0.47 115.64 116.50 2gzj s THR 123 Ca 0.14 0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 61.34 2gzj s THR 123 Cb -0.02 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.14 2gzj s THR 123 CO 0.03 -0.91 1.68 -0.65 -0.54 0.00 0.00 174.62 174.22 2gzj h PRO 124 N 0.26 0.10 -0.05 3.99 0.11 -1.74 0.92 132.00 135.59 2gzj h PRO 124 Ca -0.46 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2gzj h PRO 124 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2gzj h PRO 124 CO 0.62 0.07 -0.08 -0.22 -0.21 0.00 0.00 178.00 178.18 2gzj h LYS 125 N 0.10 -0.11 -0.61 1.05 3.64 -1.55 -1.44 116.57 117.65 2gzj h LYS 125 Ca 0.26 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2gzj h LYS 125 Cb 0.39 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2gzj h LYS 125 CO -0.44 -0.07 0.08 -0.09 -2.27 0.00 0.00 179.45 176.66 2gzj h ARG 126 N -0.11 1.00 -0.66 1.90 9.65 -1.76 -2.17 114.38 122.22 2gzj h ARG 126 Ca 0.05 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.65 2gzj h ARG 126 Cb 0.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2gzj h ARG 126 CO -0.12 0.93 0.36 1.25 2.80 0.00 0.00 179.97 185.19 2gzj h HIS 127 N 0.93 0.92 -0.49 2.20 2.76 -0.57 0.11 115.15 121.01 2gzj h HIS 127 Ca 0.19 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2gzj h HIS 127 Cb 0.43 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2gzj h HIS 127 CO 0.03 0.66 0.17 0.82 -1.30 0.00 0.00 177.93 178.30 2gzj h ILE 128 N 0.91 1.22 -0.52 6.26 2.04 -1.11 -2.76 117.51 123.55 2gzj h ILE 128 Ca 0.23 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 2gzj h ILE 128 Cb 0.05 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2gzj h ILE 128 CO -0.04 0.27 0.11 0.44 0.00 0.00 0.00 178.15 178.93 2gzj h ASP 129 N 0.65 0.81 -0.49 1.72 3.45 -0.98 -1.42 116.42 120.16 2gzj h ASP 129 Ca 0.16 -0.25 0.05 0.00 0.43 0.00 0.00 57.03 57.43 2gzj h ASP 129 Cb 0.25 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.75 2gzj h ASP 129 CO -0.01 0.85 0.21 0.40 -1.57 0.00 0.00 179.24 179.12 2gzj h ILE 130 N 0.74 0.89 0.00 0.35 2.04 -0.94 -2.33 117.51 118.26 2gzj h ILE 130 Ca 0.16 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2gzj h ILE 130 Cb 0.37 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2gzj h ILE 130 CO 0.01 0.08 -0.15 0.45 0.00 0.00 0.00 178.15 178.53 2gzj h HIS 131 N 0.41 0.00 -4.20 1.37 3.86 -1.20 -3.45 115.15 111.95 2gzj h HIS 131 Ca 0.22 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.92 2gzj h HIS 131 Cb 0.19 0.00 0.13 0.00 1.06 0.00 0.00 27.41 28.79 2gzj h HIS 131 CO -0.13 0.15 0.37 1.03 0.86 0.00 0.00 177.93 180.21 2gzj s ARG 132 N -3.51 2.43 0.00 2.45 0.52 -0.56 -5.11 118.95 115.17 2gzj s ARG 132 Ca 0.02 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 2gzj s ARG 132 Cb 0.09 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2gzj s ARG 132 CO 0.63 -1.57 0.00 0.41 0.02 0.00 0.00 175.30 174.79