#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gzj s SER 3 N 0.00 0.63 0.49 4.31 0.15 -1.26 -5.04 113.70 112.98 2gzj s SER 3 Ca 0.00 -0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.69 2gzj s SER 3 Cb 0.00 -0.08 1.15 0.00 -1.71 0.00 0.00 66.02 65.38 2gzj s SER 3 CO 0.00 0.06 2.11 0.50 1.20 0.00 0.00 173.24 177.11 2gzj h LYS 4 N 6.05 0.10 0.00 5.44 3.64 -2.00 -1.68 116.57 128.12 2gzj h LYS 4 Ca -0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2gzj h LYS 4 Cb 1.19 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2gzj h LYS 4 CO 0.50 0.10 0.00 2.89 -2.27 0.00 0.00 179.45 180.67 2gzj n ARG 5 N -4.50 0.05 -0.31 1.90 1.85 -1.26 -2.30 116.66 112.10 2gzj n ARG 5 Ca -0.02 0.18 0.11 0.00 -1.00 0.00 0.00 57.85 57.12 2gzj n ARG 5 Cb 0.11 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.29 2gzj n ARG 5 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2gzj n ASN 6 N -1.45 3.70 -4.75 2.89 3.02 -0.63 -0.64 115.26 117.39 2gzj n ASN 6 Ca 0.05 -1.99 -0.37 0.00 -0.03 0.00 0.00 54.58 52.23 2gzj n ASN 6 Cb 0.19 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.05 4.21 0.52 3.52 2.20 -0.97 -4.63 119.74 123.54 2gzj s LYS 7 Ca 0.43 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 56.14 2gzj s LYS 7 Cb 0.23 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 2gzj s LYS 7 CO 0.30 0.32 1.39 -2.14 -0.36 0.00 0.00 175.35 174.85 2gzj s PRO 8 N 0.15 3.27 0.26 4.03 0.02 -1.19 -4.51 135.00 137.03 2gzj s PRO 8 Ca 0.23 2.31 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 2gzj s PRO 8 Cb -0.15 -2.37 0.04 0.00 0.02 0.00 0.00 34.50 32.05 2gzj s PRO 8 CO 0.09 -1.11 0.81 0.20 -0.33 0.00 0.00 177.00 176.66 2gzj s GLY 9 N -0.80 -0.05 -0.11 0.52 0.00 -0.46 -4.99 107.32 101.42 2gzj s GLY 9 Ca 0.69 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 45.09 2gzj s GLY 9 CO 0.51 0.04 0.13 0.54 0.00 0.00 0.00 173.10 174.32 2gzj s LYS 10 N -3.42 3.41 0.32 2.90 1.02 -1.26 -0.63 119.74 122.08 2gzj s LYS 10 Ca 0.13 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.68 2gzj s LYS 10 Cb -0.04 -3.16 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2gzj s LYS 10 CO 0.06 0.77 1.14 0.00 -0.92 0.00 0.00 175.35 176.40 2gzj s ALA 11 N -1.03 3.34 0.23 5.17 0.00 -0.77 -4.78 121.76 123.91 2gzj s ALA 11 Ca 0.15 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2gzj s ALA 11 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2gzj s ALA 11 CO 0.04 -0.32 0.15 0.95 0.00 0.00 0.00 175.76 176.59 2gzj s THR 12 N -1.26 0.05 0.00 0.00 -4.23 -0.84 -0.88 115.64 108.47 2gzj s THR 12 Ca 0.49 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2gzj s THR 12 Cb -0.32 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2gzj s THR 12 CO 0.41 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2gzj n GLY 13 N -0.35 2.24 0.08 3.99 0.00 -1.26 -0.17 105.19 109.72 2gzj n GLY 13 Ca 0.03 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 1.07 1.00 0.00 1.61 5.02 -1.26 -4.81 118.16 120.79 2gzj n LYS 14 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2gzj n LYS 14 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.83 -0.62 3.06 0.72 0.00 -1.26 -4.18 105.19 104.74 2gzj n GLY 15 Ca -0.27 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 0.53 0.26 1.61 1.02 -0.68 -4.64 119.74 117.84 2gzj s LYS 16 Ca 0.00 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 2gzj s LYS 16 Cb 0.00 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.33 2gzj s LYS 16 CO 0.00 -0.08 1.58 -2.14 -0.92 0.00 0.00 175.35 173.79 2gzj s PRO 17 N -3.06 4.16 0.20 -1.68 0.02 -1.26 -0.76 135.00 132.61 2gzj s PRO 17 Ca -0.00 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.61 2gzj s PRO 17 Cb 0.02 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 2gzj s PRO 17 CO -0.06 -0.61 -0.15 0.14 -0.33 0.00 0.00 177.00 175.99 2gzj s VAL 18 N 0.23 1.74 0.00 3.83 -7.23 -1.26 -4.94 120.40 112.76 2gzj s VAL 18 Ca 0.64 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2gzj s VAL 18 Cb -0.47 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2gzj s VAL 18 CO 0.44 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2gzj n GLY 19 N -0.29 6.81 0.29 2.32 0.00 -1.26 -4.99 105.19 108.06 2gzj n GLY 19 Ca -0.09 -2.02 0.17 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.08 1.61 3.32 -2.01 -2.28 116.42 116.99 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 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 2gzj n LYS 21 N -3.38 1.35 -0.30 3.56 4.76 -1.26 -4.50 118.16 118.38 2gzj n LYS 21 Ca -0.02 -0.52 -0.08 0.00 -2.87 0.00 0.00 58.31 54.83 2gzj n LYS 21 Cb 0.20 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 2gzj n LYS 21 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2gzj n TRP 22 N -0.27 -0.32 0.22 2.13 -0.00 -0.86 -0.73 117.44 117.61 2gzj n TRP 22 Ca 0.15 0.90 0.10 0.00 -0.00 0.00 0.00 57.50 58.65 2gzj n TRP 22 Cb 0.19 -0.55 0.39 0.00 -0.00 0.00 0.00 31.31 31.34 2gzj n TRP 22 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2gzj h LEU 23 N 0.00 0.00 -1.22 5.87 3.38 -1.87 -2.22 115.31 119.25 2gzj h LEU 23 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2gzj h LEU 23 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2gzj h LEU 23 CO -0.68 0.21 0.53 0.44 0.09 0.00 0.00 178.44 179.04 2gzj h ASP 24 N 0.00 0.90 0.21 -0.43 3.45 -1.23 -2.28 116.42 117.04 2gzj h ASP 24 Ca -0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 2gzj h ASP 24 Cb 0.85 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 2gzj h ASP 24 CO 0.03 0.65 -0.02 0.44 -1.57 0.00 0.00 179.24 178.77 2gzj h ASP 25 N 1.06 0.00 0.56 6.45 3.45 -0.42 -2.78 116.42 124.75 2gzj h ASP 25 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 2gzj h ASP 25 Cb -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2gzj h ASP 25 CO -0.07 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.62 2gzj h ALA 26 N 1.98 1.00 -0.49 3.45 0.00 -1.45 -2.29 119.26 121.47 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 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 -0.46 1.91 3.08 0.00 0.00 -1.05 -1.83 105.19 106.85 2gzj n GLY 27 Ca -0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.66 0.59 3.97 1.61 1.02 -0.86 -4.85 119.74 119.56 2gzj s LYS 28 Ca 0.37 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2gzj s LYS 28 Cb 0.23 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 2gzj s LYS 28 CO 0.19 -0.08 0.00 -0.25 -0.92 0.00 0.00 175.35 174.29 2gzj n ASP 29 N 0.38 0.00 -0.71 2.83 8.00 -1.26 -0.82 116.55 124.96 2gzj n ASP 29 Ca -0.16 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.40 2gzj n ASP 29 Cb 0.60 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.87 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 2.70 2.07 0.00 -2.24 7.64 -1.26 -4.96 113.62 117.57 2gzj n SER 30 Ca 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2gzj n SER 30 Cb 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.09 -0.12 3.86 0.23 0.00 -0.00 -4.82 105.19 105.43 2gzj n GLY 31 Ca 0.13 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.33 3.42 0.81 4.61 0.00 0.33 -4.80 121.76 124.79 2gzj s ALA 32 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 2gzj s ALA 32 Cb 0.00 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.55 2gzj s ALA 32 CO 0.00 0.40 1.09 -1.25 0.00 0.00 0.00 175.76 176.00 2gzj s PRO 33 N -2.83 1.96 0.05 0.00 0.04 -1.26 -0.20 135.00 132.77 2gzj s PRO 33 Ca 0.51 0.72 -0.31 0.00 0.04 0.00 0.00 61.00 61.96 2gzj s PRO 33 Cb -0.11 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2gzj s PRO 33 CO 0.19 -1.72 1.43 0.42 0.04 0.00 0.00 177.00 177.35 2gzj s ILE 34 N -3.09 3.46 0.30 0.56 -1.09 -1.25 -4.67 121.20 115.42 2gzj s ILE 34 Ca 0.61 0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 59.69 2gzj s ILE 34 Cb -0.15 -3.61 -0.12 0.00 -1.58 0.00 0.00 42.46 36.99 2gzj s ILE 34 CO 0.55 0.03 1.39 -2.65 -1.23 0.00 0.00 174.94 173.03 2gzj n PRO 35 N 4.83 2.23 -0.28 2.79 -0.02 -1.26 -1.68 135.00 141.61 2gzj n PRO 35 Ca 0.13 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.55 2gzj n PRO 35 Cb 0.43 -2.44 0.43 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.57 -0.93 2.55 3.04 -1.11 -1.25 116.42 122.80 2gzj h ASP 36 Ca -0.46 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2gzj h ASP 36 Cb 1.27 -0.05 -0.05 0.00 -1.04 0.00 0.00 39.33 39.46 2gzj h ASP 36 CO 0.70 0.24 0.58 0.03 -2.04 0.00 0.00 179.24 178.75 2gzj h ARG 37 N 0.58 1.24 -0.07 4.15 3.08 -1.86 -0.88 114.38 120.62 2gzj h ARG 37 Ca 0.50 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 60.27 2gzj h ARG 37 Cb 0.99 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.79 2gzj h ARG 37 CO -0.24 0.85 -0.64 0.82 -1.07 0.00 0.00 179.97 179.69 2gzj h ILE 38 N 1.27 1.36 -1.00 2.04 2.04 -1.64 -3.15 117.51 118.42 2gzj h ILE 38 Ca 0.34 -1.96 0.10 0.00 1.00 0.00 0.00 64.86 64.33 2gzj h ILE 38 Cb -0.09 2.28 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 2gzj h ILE 38 CO -0.07 0.59 0.64 0.00 0.00 0.00 0.00 178.15 179.32 2gzj h ALA 39 N 0.44 1.47 -0.82 1.87 0.00 -1.05 -0.59 119.26 120.58 2gzj h ALA 39 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2gzj h ALA 39 Cb 1.30 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2gzj h ALA 39 CO 0.13 0.32 0.54 -0.44 0.00 0.00 0.00 179.25 179.80 2gzj h ASP 40 N 1.07 0.85 0.86 0.00 3.32 -1.14 -0.83 116.42 120.57 2gzj h ASP 40 Ca 0.47 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.32 2gzj h ASP 40 Cb 0.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2gzj h ASP 40 CO -0.22 0.58 -0.91 0.11 -1.72 0.00 0.00 179.24 177.07 2gzj h LYS 41 N 0.99 0.03 0.00 3.56 1.79 -1.13 -3.36 116.57 118.45 2gzj h LYS 41 Ca 0.33 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.70 2gzj h LYS 41 Cb 0.08 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2gzj h LYS 41 CO -0.10 0.92 -1.88 1.28 -1.08 0.00 0.00 179.45 178.58 2gzj n LEU 42 N -3.49 0.18 -4.66 2.94 4.77 -0.45 -4.89 117.00 111.40 2gzj n LEU 42 Ca -0.01 0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.59 2gzj n LEU 42 Cb 0.86 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 2gzj n LEU 42 CO 0.46 0.06 0.90 0.54 -1.33 0.00 0.00 177.39 178.03 2gzj n ARG 43 N -2.44 1.87 -0.62 3.23 1.74 -0.36 -2.05 116.66 118.02 2gzj n ARG 43 Ca -0.08 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2gzj n ARG 43 Cb 0.68 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 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 1.76 0.00 -4.77 0.55 8.00 -0.06 -4.94 116.55 117.09 2gzj n ASP 44 Ca 0.10 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 2gzj n ASP 44 Cb 0.32 -0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.24 4.44 -0.01 -1.24 1.02 -0.87 -4.83 119.74 118.01 2gzj s LYS 45 Ca 0.00 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 57.50 2gzj s LYS 45 Cb 0.00 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 2gzj s LYS 45 CO 0.00 0.07 0.43 -2.00 -0.92 0.00 0.00 175.35 172.93 2gzj s GLU 46 N -1.89 4.01 -0.00 1.68 2.12 -1.26 -1.84 118.70 121.52 2gzj s GLU 46 Ca 0.50 0.44 0.07 0.00 0.36 0.00 0.00 54.97 56.34 2gzj s GLU 46 Cb -0.27 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2gzj s GLU 46 CO 0.35 0.60 -0.22 -0.06 -0.54 0.00 0.00 175.26 175.39 2gzj s PHE 47 N -0.81 1.97 -0.38 5.30 0.40 0.19 -4.99 117.98 119.67 2gzj s PHE 47 Ca 0.24 -0.37 0.26 0.00 -0.60 0.00 0.00 56.93 56.46 2gzj s PHE 47 Cb -0.17 -1.24 0.78 0.00 0.51 0.00 0.00 43.02 42.90 2gzj s PHE 47 CO 0.13 0.00 1.75 0.87 0.70 0.00 0.00 175.22 178.68 2gzj h LYS 48 N 5.40 0.00 -2.46 0.44 6.56 -1.90 -1.21 116.57 123.40 2gzj h LYS 48 Ca -0.41 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.30 2gzj h LYS 48 Cb 1.14 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.69 2gzj h LYS 48 CO 0.47 0.00 0.43 -1.54 -2.06 0.00 0.00 179.45 176.75 2gzj s SER 49 N -5.47 -0.31 0.29 0.86 1.04 -1.26 -3.17 113.70 105.68 2gzj s SER 49 Ca 0.06 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 2gzj s SER 49 Cb 0.08 0.48 0.42 0.00 0.10 0.00 0.00 66.02 67.10 2gzj s SER 49 CO 0.59 -0.84 1.90 0.15 0.98 0.00 0.00 173.24 176.02 2gzj h PHE 50 N 2.00 0.96 -1.01 5.02 3.57 -1.18 -2.39 116.94 123.92 2gzj h PHE 50 Ca -0.24 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.28 2gzj h PHE 50 Cb 1.25 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 2gzj h PHE 50 CO 0.32 0.69 0.66 -0.44 -2.23 0.00 0.00 178.31 177.30 2gzj h ASP 51 N 0.98 1.08 -0.71 0.41 3.32 -1.97 0.66 116.42 120.20 2gzj h ASP 51 Ca 0.25 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2gzj h ASP 51 Cb 0.06 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2gzj h ASP 51 CO -0.04 0.72 0.25 0.44 -1.72 0.00 0.00 179.24 178.89 2gzj h ASP 52 N 1.24 1.00 -0.49 6.45 3.32 -1.85 -2.23 116.42 123.86 2gzj h ASP 52 Ca 0.41 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2gzj h ASP 52 Cb 0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2gzj h ASP 52 CO -0.14 0.93 0.23 0.15 -1.72 0.00 0.00 179.24 178.69 2gzj h PHE 53 N 1.02 0.71 -0.42 4.55 3.57 -0.89 -2.38 116.94 123.10 2gzj h PHE 53 Ca 0.23 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.74 2gzj h PHE 53 Cb 0.26 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2gzj h PHE 53 CO 0.02 0.56 0.18 -0.09 -2.23 0.00 0.00 178.31 176.75 2gzj h ARG 54 N 0.65 0.35 -0.68 1.11 2.43 -0.68 -1.03 114.38 116.53 2gzj h ARG 54 Ca 0.17 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2gzj h ARG 54 Cb 0.12 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2gzj h ARG 54 CO -0.02 0.23 0.39 -0.22 -1.51 0.00 0.00 179.97 178.84 2gzj h LYS 55 N 0.36 0.70 -0.69 0.20 3.64 -1.29 -2.54 116.57 116.95 2gzj h LYS 55 Ca 0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2gzj h LYS 55 Cb 0.15 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2gzj h LYS 55 CO -0.17 0.46 0.26 0.00 -2.27 0.00 0.00 179.45 177.73 2gzj h ALA 56 N 1.34 1.16 0.09 5.00 0.00 -0.81 -1.34 119.26 124.69 2gzj h ALA 56 Ca 0.30 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gzj h ALA 56 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gzj h ALA 56 CO -0.17 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 179.86 2gzj h VAL 57 N 1.00 0.77 -0.28 0.00 2.07 -0.82 -1.17 116.25 117.82 2gzj h VAL 57 Ca 0.23 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.65 2gzj h VAL 57 Cb 0.21 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2gzj h VAL 57 CO -0.02 0.00 -0.24 -0.50 0.02 0.00 0.00 177.57 176.83 2gzj h TRP 58 N -0.21 0.60 -0.86 1.57 4.06 -1.25 -1.66 115.95 118.19 2gzj h TRP 58 Ca 0.01 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 2gzj h TRP 58 Cb 0.21 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 2gzj h TRP 58 CO -0.12 0.73 0.53 0.93 -3.56 0.00 0.00 178.44 176.95 2gzj h GLU 59 N 0.47 1.15 -0.26 0.49 5.08 -1.12 -1.55 114.58 118.85 2gzj h GLU 59 Ca 0.07 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2gzj h GLU 59 Cb 0.67 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2gzj h GLU 59 CO 0.05 0.79 -0.34 0.93 -1.00 0.00 0.00 179.01 179.44 2gzj h GLU 60 N 1.18 0.56 -0.59 2.33 4.39 -0.65 -2.44 114.58 119.36 2gzj h GLU 60 Ca 0.31 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2gzj h GLU 60 Cb -0.07 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2gzj h GLU 60 CO -0.06 0.83 0.36 0.28 -1.16 0.00 0.00 179.01 179.26 2gzj h VAL 61 N 0.48 1.07 -0.73 3.13 2.07 -0.90 -2.11 116.25 119.26 2gzj h VAL 61 Ca 0.05 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2gzj h VAL 61 Cb 0.82 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2gzj h VAL 61 CO 0.07 0.13 0.48 -1.28 0.02 0.00 0.00 177.57 176.99 2gzj h SER 62 N 0.71 0.67 1.19 0.57 0.87 -0.96 -2.68 113.55 113.93 2gzj h SER 62 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2gzj h SER 62 Cb 0.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2gzj h SER 62 CO -0.10 0.43 -0.43 0.11 -0.53 0.00 0.00 176.83 176.32 2gzj h LYS 63 N 0.76 0.00 -4.38 2.24 1.57 -0.96 -3.45 116.57 112.36 2gzj h LYS 63 Ca 0.31 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.36 2gzj h LYS 63 Cb 0.26 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.35 2gzj h LYS 63 CO -0.10 0.00 -0.37 0.34 -0.57 0.00 0.00 179.45 178.75 2gzj s ASP 64 N -4.70 6.13 0.49 0.86 3.68 -0.84 -4.99 116.67 117.31 2gzj s ASP 64 Ca 0.07 -1.15 0.21 0.00 2.13 0.00 0.00 52.55 53.81 2gzj s ASP 64 Cb 0.12 -2.17 1.28 0.00 -1.45 0.00 0.00 42.92 40.69 2gzj s ASP 64 CO 0.69 -0.57 2.05 1.55 0.13 0.00 0.00 175.17 179.02 2gzj h PRO 65 N 8.70 0.00 -0.35 4.34 0.13 -1.86 0.31 132.00 143.28 2gzj h PRO 65 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2gzj h PRO 65 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2gzj h PRO 65 CO 0.82 0.14 -0.03 0.93 -0.23 0.00 0.00 178.00 179.63 2gzj h GLU 66 N 0.00 0.55 0.12 0.86 4.39 -1.94 -2.31 114.58 116.25 2gzj h GLU 66 Ca -0.00 -0.13 -0.35 0.00 0.34 0.00 0.00 59.36 59.22 2gzj h GLU 66 Cb 0.30 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2gzj h GLU 66 CO 0.02 0.59 -1.88 -0.07 -1.16 0.00 0.00 179.01 176.51 2gzj h LEU 67 N 0.52 0.38 -0.18 1.33 3.38 -1.58 -3.39 115.31 115.78 2gzj h LEU 67 Ca 0.11 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 2gzj h LEU 67 Cb 0.38 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2gzj h LEU 67 CO 0.01 1.69 -0.08 0.77 0.09 0.00 0.00 178.44 180.92 2gzj h SER 68 N 0.07 0.00 0.29 -0.43 4.64 -1.05 -3.28 113.55 113.79 2gzj h SER 68 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2gzj h SER 68 Cb 2.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2gzj h SER 68 CO 0.11 0.08 -0.02 0.07 -0.87 0.00 0.00 176.83 176.20 2gzj h LYS 69 N 0.00 0.00 -0.49 4.77 2.10 -1.60 -1.35 116.57 120.00 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 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2gzj h LYS 69 CO 0.01 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.57 2gzj n ASN 70 N -3.23 1.77 -4.37 7.07 5.03 -1.24 -4.86 115.26 115.43 2gzj n ASN 70 Ca -0.02 -2.12 -0.30 0.00 0.87 0.00 0.00 54.58 53.01 2gzj n ASN 70 Cb 0.15 -0.32 -0.14 0.00 -1.02 0.00 0.00 39.78 38.45 2gzj n ASN 70 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2gzj s LEU 71 N -0.96 2.25 0.89 3.41 1.43 -0.51 -5.09 118.68 120.11 2gzj s LEU 71 Ca 0.17 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 2gzj s LEU 71 Cb 0.10 -1.34 0.14 0.00 0.03 0.00 0.00 46.19 45.12 2gzj s LEU 71 CO 0.09 0.27 1.25 0.54 0.23 0.00 0.00 176.35 178.73 2gzj s ASN 72 N -1.18 3.79 0.28 2.29 6.03 -1.26 -4.72 114.94 120.16 2gzj s ASN 72 Ca 0.12 0.51 0.02 0.00 -1.03 0.00 0.00 52.86 52.48 2gzj s ASN 72 Cb -0.10 -0.77 0.61 0.00 -3.03 0.00 0.00 41.25 37.96 2gzj s ASN 72 CO 0.02 -2.33 1.78 -0.65 -2.03 0.00 0.00 177.10 173.89 2gzj h PRO 73 N -1.35 0.74 -0.25 3.55 0.11 -1.99 0.20 132.00 133.01 2gzj h PRO 73 Ca -0.45 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 2gzj h PRO 73 Cb 1.28 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2gzj h PRO 73 CO 0.51 0.49 -0.56 0.77 -0.21 0.00 0.00 178.00 179.01 2gzj h SER 74 N 0.76 0.84 0.33 -2.05 0.02 -2.00 -1.12 113.55 110.33 2gzj h SER 74 Ca 0.51 -0.45 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2gzj h SER 74 Cb 0.70 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2gzj h SER 74 CO -0.35 1.22 -0.47 0.78 -1.14 0.00 0.00 176.83 176.88 2gzj h ASN 75 N 0.57 0.18 -0.78 3.07 2.35 -1.84 -2.43 115.58 116.71 2gzj h ASN 75 Ca 0.01 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2gzj h ASN 75 Cb 1.14 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 2gzj h ASN 75 CO 0.12 0.63 0.44 0.11 -1.65 0.00 0.00 177.43 177.08 2gzj h LYS 76 N 0.14 1.08 -0.59 0.81 1.57 -0.62 -2.01 116.57 116.94 2gzj h LYS 76 Ca 0.01 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2gzj h LYS 76 Cb 0.88 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 2gzj h LYS 76 CO 0.07 0.78 0.33 0.77 -0.57 0.00 0.00 179.45 180.83 2gzj h SER 77 N 1.08 0.50 0.28 0.86 0.02 -1.01 -1.55 113.55 113.73 2gzj h SER 77 Ca 0.28 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2gzj h SER 77 Cb 0.01 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2gzj h SER 77 CO -0.05 0.34 -0.19 0.28 -1.14 0.00 0.00 176.83 176.07 2gzj h SER 78 N 0.64 -0.48 0.61 3.07 0.02 -1.13 -2.86 113.55 113.41 2gzj h SER 78 Ca 0.26 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2gzj h SER 78 Cb 0.12 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2gzj h SER 78 CO -0.15 -0.30 -0.24 -0.37 -1.14 0.00 0.00 176.83 174.63 2gzj h VAL 79 N -0.47 0.74 0.00 2.27 -1.51 -1.27 -1.60 116.25 114.41 2gzj h VAL 79 Ca -0.02 -1.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.42 2gzj h VAL 79 Cb 0.40 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2gzj h VAL 79 CO 0.01 0.23 -0.13 0.77 -1.23 0.00 0.00 177.57 177.23 2gzj h SER 80 N 0.00 0.00 0.09 4.19 4.64 -1.05 -0.44 113.55 120.98 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 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2gzj h SER 80 CO 0.03 0.13 -0.06 0.29 -0.87 0.00 0.00 176.83 176.35 2gzj n LYS 81 N -4.09 1.25 -1.01 4.77 4.76 -0.83 -4.92 118.16 118.09 2gzj n LYS 81 Ca -0.02 -0.60 -0.00 0.00 -2.87 0.00 0.00 58.31 54.81 2gzj n LYS 81 Cb 0.21 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.19 0.46 3.86 0.72 0.00 -0.18 -5.00 105.19 106.24 2gzj n GLY 82 Ca 0.18 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 3.40 0.44 1.61 2.02 -0.66 -4.35 117.35 117.80 2gzj s TYR 83 Ca 0.00 1.05 -0.24 0.00 -0.37 0.00 0.00 57.07 57.51 2gzj s TYR 83 Cb 0.00 -2.40 -0.08 0.00 -0.40 0.00 0.00 41.96 39.08 2gzj s TYR 83 CO 0.00 0.17 1.17 -1.54 -1.57 0.00 0.00 175.55 173.79 2gzj s SER 84 N -2.34 6.30 0.62 2.29 1.04 -1.26 -3.35 113.70 116.99 2gzj s SER 84 Ca 0.51 2.34 -0.15 0.00 0.48 0.00 0.00 55.95 59.13 2gzj s SER 84 Cb -0.11 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2gzj s SER 84 CO 0.19 -0.83 1.06 -2.16 0.98 0.00 0.00 173.24 172.49 2gzj s PRO 85 N -2.54 3.19 0.25 4.02 0.05 -1.26 -4.77 135.00 133.95 2gzj s PRO 85 Ca 0.61 1.20 -0.30 0.00 0.05 0.00 0.00 61.00 62.56 2gzj s PRO 85 Cb -0.30 -2.02 -0.09 0.00 0.05 0.00 0.00 34.50 32.15 2gzj s PRO 85 CO 0.37 -0.91 1.01 -0.06 0.05 0.00 0.00 177.00 177.45 2gzj s PHE 86 N -2.52 3.81 0.64 0.56 0.40 -1.26 -1.87 117.98 117.74 2gzj s PHE 86 Ca 0.63 1.82 -0.07 0.00 -0.60 0.00 0.00 56.93 58.71 2gzj s PHE 86 Cb -0.16 -3.12 0.02 0.00 0.51 0.00 0.00 43.02 40.27 2gzj s PHE 86 CO 0.40 0.01 0.97 0.95 0.70 0.00 0.00 175.22 178.25 2gzj s THR 87 N -1.13 3.32 0.44 0.64 -4.23 -0.56 -4.88 115.64 109.24 2gzj s THR 87 Ca 0.43 0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.76 2gzj s THR 87 Cb -0.29 -3.36 -0.11 0.00 1.34 0.00 0.00 72.50 70.08 2gzj s THR 87 CO 0.36 -0.40 0.77 -2.65 -0.54 0.00 0.00 174.62 172.16 2gzj n PRO 88 N -2.75 0.91 -0.21 3.99 -0.02 -1.26 -4.85 135.00 130.81 2gzj n PRO 88 Ca 0.06 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2gzj n PRO 88 Cb 0.58 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.06 0.16 0.00 -0.52 3.64 -1.96 -1.67 116.57 117.27 2gzj h LYS 89 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2gzj h LYS 89 Cb 1.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2gzj h LYS 89 CO 0.53 0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 2gzj n ASN 90 N -5.24 0.00 -0.62 4.20 3.02 -1.26 -1.92 115.26 113.44 2gzj n ASN 90 Ca 0.09 0.42 0.11 0.00 -0.03 0.00 0.00 54.58 55.18 2gzj n ASN 90 Cb 0.36 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 2gzj n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gzj n GLN 91 N -1.46 1.58 -3.13 3.52 1.13 -0.63 -4.95 117.38 113.44 2gzj n GLN 91 Ca 0.04 -1.27 -0.33 0.00 -1.94 0.00 0.00 57.00 53.50 2gzj n GLN 91 Cb 0.15 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 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 -2.22 4.06 -0.28 -1.09 -0.21 -0.81 -1.83 119.66 117.28 2gzj s GLN 92 Ca 0.21 0.71 -0.01 0.00 0.02 0.00 0.00 55.36 56.29 2gzj s GLN 92 Cb 0.18 -2.53 0.09 0.00 1.00 0.00 0.00 33.01 31.74 2gzj s GLN 92 CO 0.46 0.21 0.07 0.08 -2.12 0.00 0.00 175.29 173.99 2gzj s VAL 93 N -1.88 0.87 0.00 1.09 1.01 -0.36 -4.81 120.40 116.33 2gzj s VAL 93 Ca 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2gzj s VAL 93 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2gzj s VAL 93 CO 0.18 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.37 2gzj n GLY 94 N 4.87 3.59 0.00 4.51 0.00 -1.26 -1.74 105.19 115.15 2gzj n GLY 94 Ca -0.04 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.91 3.36 -0.02 0.00 -1.26 -4.54 105.19 101.82 2gzj n GLY 95 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.03 0.00 1.61 0.52 -0.71 -4.88 118.95 116.52 2gzj s ARG 96 Ca 0.39 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2gzj s ARG 96 Cb 0.18 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.39 2gzj s ARG 96 CO 0.30 -1.42 0.08 1.63 0.02 0.00 0.00 175.30 175.90 2gzj n LYS 97 N 5.93 4.80 -4.40 3.54 5.02 -1.26 -1.22 118.16 130.57 2gzj n LYS 97 Ca -0.11 -0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 2gzj n LYS 97 Cb 0.42 -0.52 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 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 -0.71 2.64 0.49 -0.18 -7.23 -1.26 -1.49 120.40 112.67 2gzj s VAL 98 Ca 0.00 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.83 2gzj s VAL 98 Cb 0.00 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 2gzj s VAL 98 CO 0.00 -0.27 1.35 -0.31 -0.31 0.00 0.00 175.10 175.56 2gzj s TYR 99 N -2.50 2.46 -0.04 2.82 1.51 -0.78 -4.34 117.35 116.47 2gzj s TYR 99 Ca 0.33 1.36 0.06 0.00 -1.01 0.00 0.00 57.07 57.81 2gzj s TYR 99 Cb -0.02 -3.77 -0.02 0.00 -0.11 0.00 0.00 41.96 38.04 2gzj s TYR 99 CO 0.18 -2.67 -0.23 -1.21 -1.11 0.00 0.00 175.55 170.52 2gzj s GLU 100 N -2.68 2.38 -0.07 -0.62 2.02 0.50 -4.85 118.70 115.39 2gzj s GLU 100 Ca 0.66 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 54.58 2gzj s GLU 100 Cb -0.40 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2gzj s GLU 100 CO 0.49 0.51 0.58 -0.51 0.02 0.00 0.00 175.26 176.34 2gzj s LEU 101 N -0.46 4.33 -0.08 1.80 1.43 -1.26 -0.59 118.68 123.86 2gzj s LEU 101 Ca 0.05 1.03 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 2gzj s LEU 101 Cb -0.12 -2.87 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 2gzj s LEU 101 CO 0.01 -0.00 -0.21 -2.28 0.23 0.00 0.00 176.35 174.10 2gzj s HIS 102 N 0.42 2.21 -0.19 0.29 5.65 0.06 -4.97 115.29 118.76 2gzj s HIS 102 Ca 0.31 -0.81 -0.22 0.00 0.25 0.00 0.00 55.06 54.58 2gzj s HIS 102 Cb -0.17 -1.49 -0.02 0.00 -1.18 0.00 0.00 32.58 29.72 2gzj s HIS 102 CO 0.15 -0.32 0.70 -1.01 -0.65 0.00 0.00 174.74 173.61 2gzj s HIS 103 N 0.26 3.38 0.06 3.88 3.76 -1.26 -0.76 115.29 124.61 2gzj s HIS 103 Ca -0.13 1.04 -0.22 0.00 -0.15 0.00 0.00 55.06 55.60 2gzj s HIS 103 Cb -0.16 -2.88 -0.13 0.00 1.11 0.00 0.00 32.58 30.52 2gzj s HIS 103 CO 0.06 -0.21 1.52 0.22 -0.85 0.00 0.00 174.74 175.48 2gzj h ASP 104 N 7.46 0.19 -3.82 1.40 3.58 -1.43 -3.36 116.42 120.43 2gzj h ASP 104 Ca -0.30 -0.26 -0.63 0.00 0.42 0.00 0.00 57.03 56.25 2gzj h ASP 104 Cb 1.14 -0.05 -0.16 0.00 1.72 0.00 0.00 39.33 41.97 2gzj h ASP 104 CO 0.80 0.41 -0.49 -0.75 -2.88 0.00 0.00 179.24 176.33 2gzj s LYS 105 N -5.15 3.98 0.35 0.28 2.20 -1.26 -5.08 119.74 115.06 2gzj s LYS 105 Ca -0.14 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 2gzj s LYS 105 Cb 0.06 -3.64 -0.12 0.00 -1.51 0.00 0.00 37.83 32.62 2gzj s LYS 105 CO 0.70 -0.14 1.26 -2.30 -0.36 0.00 0.00 175.35 174.51 2gzj n PRO 106 N 4.93 2.03 -0.30 4.03 -0.02 -1.26 -4.17 135.00 140.24 2gzj n PRO 106 Ca -0.14 0.71 0.03 0.00 -2.02 0.00 0.00 63.50 62.09 2gzj n PRO 106 Cb 0.52 -2.29 0.23 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.42 1.10 0.00 4.25 2.04 -1.91 0.16 117.51 125.57 2gzj h ILE 107 Ca -0.46 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2gzj h ILE 107 Cb 1.29 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2gzj h ILE 107 CO 0.62 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 177.42 2gzj n SER 108 N -4.47 0.43 -0.86 1.72 3.41 -1.26 -1.67 113.62 110.92 2gzj n SER 108 Ca 0.13 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.45 2gzj n SER 108 Cb 0.16 -0.71 0.25 0.00 -0.26 0.00 0.00 64.21 63.66 2gzj n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gzj n GLN 109 N -2.00 2.80 -0.01 4.33 6.02 -0.66 -4.96 117.38 122.91 2gzj n GLN 109 Ca 0.02 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 2gzj n GLN 109 Cb 0.17 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.60 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 -0.59 0.23 3.71 1.08 0.00 -0.67 -4.91 105.19 104.04 2gzj n GLY 110 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 0.53 3.74 -0.02 0.00 -0.05 -4.94 105.19 102.45 2gzj n GLY 111 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.67 4.56 0.06 1.61 0.41 -1.26 -4.30 118.70 117.12 2gzj s GLU 112 Ca 0.69 1.74 -0.18 0.00 -0.41 0.00 0.00 54.97 56.81 2gzj s GLU 112 Cb -0.44 -3.28 -0.12 0.00 -1.78 0.00 0.00 34.13 28.50 2gzj s GLU 112 CO 0.51 0.02 1.37 0.28 -0.49 0.00 0.00 175.26 176.96 2gzj h VAL 113 N 3.82 1.33 -0.22 2.63 2.07 -1.95 -3.35 116.25 120.57 2gzj h VAL 113 Ca -0.44 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2gzj h VAL 113 Cb 1.21 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2gzj h VAL 113 CO 0.74 0.41 0.00 -1.22 0.02 0.00 0.00 177.57 177.51 2gzj n TYR 114 N -4.46 0.38 -2.72 1.57 4.02 -1.26 -4.93 117.16 109.76 2gzj n TYR 114 Ca -0.05 -0.58 -0.43 0.00 -0.01 0.00 0.00 57.90 56.83 2gzj n TYR 114 Cb 0.39 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 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 -1.24 6.66 0.60 7.72 -1.08 -1.26 -1.99 116.67 126.08 2gzj s ASP 115 Ca 0.20 0.50 0.36 0.00 -0.52 0.00 0.00 52.55 53.09 2gzj s ASP 115 Cb 0.13 -2.50 1.94 0.00 -1.46 0.00 0.00 42.92 41.03 2gzj s ASP 115 CO 0.10 -1.04 2.24 0.24 0.52 0.00 0.00 175.17 177.22 2gzj h MET 116 N 8.82 0.00 0.00 4.34 2.86 -0.88 0.59 114.93 130.66 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 1.05 0.03 0.00 -0.25 1.06 0.00 0.00 176.91 178.80 2gzj n ASP 117 N -3.43 0.40 -1.23 1.22 8.00 -1.26 -2.43 116.55 117.82 2gzj n ASP 117 Ca -0.02 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.16 2gzj n ASP 117 Cb 0.13 -0.67 0.29 0.00 -0.02 0.00 0.00 41.12 40.86 2gzj n ASP 117 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2gzj n ASN 118 N -1.92 3.82 -4.34 -2.24 5.15 0.19 -4.97 115.26 110.96 2gzj n ASN 118 Ca 0.04 -2.03 -0.32 0.00 -0.60 0.00 0.00 54.58 51.67 2gzj n ASN 118 Cb 0.27 -0.45 -0.15 0.00 -0.53 0.00 0.00 39.78 38.92 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 -1.06 2.32 0.11 -1.44 1.01 -1.02 -1.01 121.20 120.12 2gzj s ILE 119 Ca 0.44 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.17 2gzj s ILE 119 Cb 0.24 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2gzj s ILE 119 CO 0.30 0.58 -0.16 -0.13 0.00 0.00 0.00 174.94 175.53 2gzj s ARG 120 N -0.45 1.02 -0.22 2.79 1.81 0.06 -3.93 118.95 120.04 2gzj s ARG 120 Ca 0.05 -1.18 -0.10 0.00 -1.72 0.00 0.00 55.73 52.79 2gzj s ARG 120 Cb -0.12 -1.01 -0.05 0.00 -0.45 0.00 0.00 34.95 33.32 2gzj s ARG 120 CO 0.01 0.21 0.13 0.08 -0.68 0.00 0.00 175.30 175.05 2gzj s VAL 121 N -1.77 5.23 0.14 3.52 1.01 0.72 -0.76 120.40 128.48 2gzj s VAL 121 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.23 2gzj s VAL 121 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2gzj s VAL 121 CO 0.03 0.40 -0.13 0.42 0.00 0.00 0.00 175.10 175.82 2gzj s THR 122 N 0.72 1.35 0.52 3.92 -4.23 0.25 -0.52 115.64 117.66 2gzj s THR 122 Ca 0.07 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.59 2gzj s THR 122 Cb -0.13 -1.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.99 2gzj s THR 122 CO 0.02 -0.50 0.97 0.42 -0.54 0.00 0.00 174.62 174.98 2gzj s THR 123 N -2.47 4.60 0.22 3.99 -4.23 -0.76 -0.37 115.64 116.62 2gzj s THR 123 Ca 0.12 1.08 -0.08 0.00 -1.18 0.00 0.00 61.69 61.63 2gzj s THR 123 Cb -0.03 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.24 2gzj s THR 123 CO 0.03 -0.77 1.70 -0.65 -0.54 0.00 0.00 174.62 174.40 2gzj h PRO 124 N 0.70 0.27 -0.52 3.99 0.11 -1.75 0.01 132.00 134.81 2gzj h PRO 124 Ca -0.46 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2gzj h PRO 124 Cb 1.19 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2gzj h PRO 124 CO 0.62 0.18 0.21 -0.22 -0.21 0.00 0.00 178.00 178.58 2gzj h LYS 125 N 0.28 0.40 -0.20 1.05 3.64 -1.68 -2.15 116.57 117.92 2gzj h LYS 125 Ca 0.35 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 2gzj h LYS 125 Cb 0.53 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2gzj h LYS 125 CO -0.43 0.27 -0.57 -0.09 -2.27 0.00 0.00 179.45 176.35 2gzj h ARG 126 N 0.41 0.62 -0.53 1.90 9.65 -1.72 -2.63 114.38 122.09 2gzj h ARG 126 Ca 0.24 -0.41 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 2gzj h ARG 126 Cb 0.23 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 2gzj h ARG 126 CO -0.22 1.02 0.22 1.25 2.80 0.00 0.00 179.97 185.05 2gzj h HIS 127 N 0.47 0.79 -0.31 2.20 2.76 -0.77 0.10 115.15 120.40 2gzj h HIS 127 Ca 0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2gzj h HIS 127 Cb 1.14 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 2gzj h HIS 127 CO 0.05 0.64 0.20 0.82 -1.30 0.00 0.00 177.93 178.34 2gzj h ILE 128 N 0.71 1.09 -0.31 6.26 2.04 -1.44 -2.55 117.51 123.30 2gzj h ILE 128 Ca 0.18 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2gzj h ILE 128 Cb 0.17 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2gzj h ILE 128 CO -0.02 0.08 -0.11 0.44 0.00 0.00 0.00 178.15 178.55 2gzj h ASP 129 N 0.41 0.50 -0.16 1.72 3.45 -1.06 -1.16 116.42 120.11 2gzj h ASP 129 Ca 0.11 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2gzj h ASP 129 Cb -0.03 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 2gzj h ASP 129 CO -0.02 0.65 0.07 0.40 -1.57 0.00 0.00 179.24 178.77 2gzj h ILE 130 N 0.48 1.14 0.00 0.35 2.04 -0.69 -1.63 117.51 119.21 2gzj h ILE 130 Ca 0.09 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2gzj h ILE 130 Cb 0.48 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2gzj h ILE 130 CO 0.03 0.13 -0.12 0.45 0.00 0.00 0.00 178.15 178.64 2gzj h HIS 131 N 0.12 0.00 -2.54 1.37 3.86 -1.29 -3.34 115.15 113.33 2gzj h HIS 131 Ca 0.06 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.72 2gzj h HIS 131 Cb 0.14 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.23 2gzj h HIS 131 CO -0.02 0.12 -0.82 -0.98 0.86 0.00 0.00 177.93 177.10 2gzj s ARG 132 N -3.63 0.49 0.00 2.45 1.70 -0.45 -5.11 118.95 114.39 2gzj s ARG 132 Ca 0.01 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 2gzj s ARG 132 Cb 0.09 -1.19 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 2gzj s ARG 132 CO 0.60 -1.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.06