#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjx s LEU 2 N 0.00 3.07 0.09 0.00 1.02 -1.25 -4.12 118.68 117.49 1gjx s LEU 2 Ca 0.00 -0.88 -0.04 0.00 0.02 0.00 0.00 54.13 53.23 1gjx s LEU 2 Cb 0.00 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 1gjx s LEU 2 CO 0.00 -1.30 0.08 -0.69 0.02 0.00 0.00 176.35 174.46 1gjx s VAL 3 N -2.67 0.16 -0.09 -1.59 1.01 0.23 -4.92 120.40 112.53 1gjx s VAL 3 Ca 0.59 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1gjx s VAL 3 Cb -0.05 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1gjx s VAL 3 CO 0.37 -0.72 0.02 -1.83 0.00 0.00 0.00 175.10 172.95 1gjx s GLU 4 N -3.93 0.45 0.81 2.72 4.04 -1.26 0.28 118.70 121.81 1gjx s GLU 4 Ca 0.11 0.06 -0.11 0.00 0.04 0.00 0.00 54.97 55.07 1gjx s GLU 4 Cb 0.06 -1.15 0.08 0.00 0.02 0.00 0.00 34.13 33.15 1gjx s GLU 4 CO -0.07 -0.39 1.10 -1.17 -1.84 0.00 0.00 175.26 172.89 1gjx s LEU 5 N 2.00 2.88 -0.03 1.83 2.96 0.46 -4.89 118.68 123.89 1gjx s LEU 5 Ca 0.04 1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.71 1gjx s LEU 5 Cb -0.13 -4.43 0.01 0.00 0.50 0.00 0.00 46.19 42.14 1gjx s LEU 5 CO -0.06 -2.27 0.12 -0.54 -1.32 0.00 0.00 176.35 172.29 1gjx s LYS 6 N -4.88 0.29 0.23 1.98 1.02 -1.23 -1.55 119.74 115.60 1gjx s LYS 6 Ca 0.62 -0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.24 1gjx s LYS 6 Cb -0.18 0.12 -0.17 0.00 -0.52 0.00 0.00 37.83 37.09 1gjx s LYS 6 CO 0.56 -0.06 0.54 0.28 -0.92 0.00 0.00 175.35 175.76 1gjx n VAL 7 N 2.33 1.90 -0.62 3.17 0.31 -1.26 -4.62 118.33 119.54 1gjx n VAL 7 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1gjx n VAL 7 Cb 0.57 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1gjx n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1gjx n PRO 8 N 0.99 -0.18 -3.28 5.55 -0.04 -1.26 -2.17 135.00 134.60 1gjx n PRO 8 Ca 0.16 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.17 1gjx n PRO 8 Cb 0.27 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.72 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gjx s ASP 9 N -1.23 7.10 0.00 3.54 1.11 -1.26 -4.42 116.67 121.50 1gjx s ASP 9 Ca 0.00 -3.19 0.25 0.00 0.18 0.00 0.00 52.55 49.79 1gjx s ASP 9 Cb 0.00 -2.23 1.52 0.00 1.07 0.00 0.00 42.92 43.27 1gjx s ASP 9 CO 0.00 -0.45 1.93 2.30 1.18 0.00 0.00 175.17 180.13 1gjx n ILE 10 N 3.39 0.00 0.00 0.77 -6.64 -1.26 -4.45 119.36 111.16 1gjx n ILE 10 Ca 0.22 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.20 1gjx n ILE 10 Cb 0.42 -0.47 0.00 0.00 -1.44 0.00 0.00 39.64 38.16 1gjx n ILE 10 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1gjx n GLY 11 N 0.79 0.92 0.00 3.28 0.00 -1.26 -4.40 105.19 104.52 1gjx n GLY 11 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1gjx n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 12 N 0.00 -1.65 1.62 -0.02 0.00 -1.26 -4.98 105.19 98.90 1gjx n GLY 12 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.39 1gjx n GLY 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gjx n HIS 13 N -0.45 -0.07 -0.71 1.61 1.44 -1.26 -5.17 115.22 110.61 1gjx n HIS 13 Ca 0.00 -0.23 -0.29 0.00 -2.01 0.00 0.00 57.72 55.19 1gjx n HIS 13 Cb 0.00 0.10 0.25 0.00 0.12 0.00 0.00 29.99 30.46 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1gjx s GLU 14 N -2.00 -1.54 -0.49 -1.40 2.02 -1.26 -4.41 118.70 109.61 1gjx s GLU 14 Ca 0.13 0.31 -0.31 0.00 0.02 0.00 0.00 54.97 55.12 1gjx s GLU 14 Cb -0.00 -1.53 0.05 0.00 0.10 0.00 0.00 34.13 32.75 1gjx s GLU 14 CO -0.01 -4.00 0.65 0.27 0.02 0.00 0.00 175.26 172.19 1gjx n ASN 15 N -5.03 -5.86 -4.08 -0.19 6.94 0.28 -4.88 115.26 102.44 1gjx n ASN 15 Ca 0.09 -0.14 -0.26 0.00 -0.02 0.00 0.00 54.58 54.25 1gjx n ASN 15 Cb 0.58 -2.30 -0.06 0.00 -2.36 0.00 0.00 39.78 35.64 1gjx n ASN 15 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1gjx n VAL 16 N -0.50 0.00 -3.75 3.53 0.24 0.47 -4.71 118.33 113.61 1gjx n VAL 16 Ca -0.08 -2.00 -0.37 0.00 -2.04 0.00 0.00 64.34 59.85 1gjx n VAL 16 Cb 0.65 0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 33.36 1gjx n VAL 16 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1gjx s ASP 17 N -3.29 5.14 1.06 -1.34 1.11 -1.23 -0.88 116.67 117.25 1gjx s ASP 17 Ca 0.04 -0.35 -0.14 0.00 0.18 0.00 0.00 52.55 52.27 1gjx s ASP 17 Cb 0.00 -1.92 0.14 0.00 1.07 0.00 0.00 42.92 42.21 1gjx s ASP 17 CO 0.03 -0.08 0.53 -0.38 1.18 0.00 0.00 175.17 176.44 1gjx n ILE 18 N 4.92 0.00 -0.83 0.77 5.41 -1.21 -3.38 119.36 125.04 1gjx n ILE 18 Ca -0.16 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1gjx n ILE 18 Cb 0.50 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 1gjx n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1gjx n ILE 19 N -4.30 0.05 -3.55 1.39 -6.64 0.27 -4.35 119.36 102.23 1gjx n ILE 19 Ca 0.05 -0.11 -0.11 0.00 -1.77 0.00 0.00 62.75 60.80 1gjx n ILE 19 Cb 0.56 1.55 -0.05 0.00 -1.44 0.00 0.00 39.64 40.27 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1gjx s ALA 20 N -0.05 -1.89 -0.06 -1.28 0.00 -0.89 -4.73 121.76 112.87 1gjx s ALA 20 Ca 0.00 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1gjx s ALA 20 Cb 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1gjx s ALA 20 CO 0.00 -0.40 0.02 0.08 0.00 0.00 0.00 175.76 175.46 1gjx s VAL 21 N -1.56 0.19 -0.41 0.00 1.01 -1.26 -3.72 120.40 114.65 1gjx s VAL 21 Ca -0.01 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.28 1gjx s VAL 21 Cb -0.01 -0.38 0.33 0.00 0.00 0.00 0.00 36.38 36.33 1gjx s VAL 21 CO 0.00 0.22 0.88 -0.62 0.00 0.00 0.00 175.10 175.59 1gjx n GLU 22 N 5.11 0.98 -3.60 2.72 -0.58 0.32 -4.98 120.64 120.62 1gjx n GLU 22 Ca -0.07 -2.76 -0.21 0.00 -0.42 0.00 0.00 57.16 53.69 1gjx n GLU 22 Cb 0.50 -1.42 -0.16 0.00 -0.57 0.00 0.00 31.44 29.79 1gjx n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1gjx s VAL 23 N -1.25 -0.19 -0.40 2.62 -7.23 -1.26 -4.61 120.40 108.08 1gjx s VAL 23 Ca 0.32 0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1gjx s VAL 23 Cb 0.32 -0.49 0.11 0.00 0.56 0.00 0.00 36.38 36.88 1gjx s VAL 23 CO -0.07 -0.11 0.13 0.20 -0.31 0.00 0.00 175.10 174.94 1gjx s ASN 24 N 2.23 4.54 -0.50 4.85 -0.87 -1.26 -5.05 114.94 118.88 1gjx s ASN 24 Ca 0.04 -2.44 -0.46 0.00 -1.57 0.00 0.00 52.86 48.43 1gjx s ASN 24 Cb -0.15 -1.57 -0.20 0.00 -0.02 0.00 0.00 41.25 39.31 1gjx s ASN 24 CO -0.08 -0.33 1.78 0.52 -2.57 0.00 0.00 177.10 176.42 1gjx n VAL 25 N 3.87 0.01 0.00 1.60 0.31 -1.26 -2.48 118.33 120.37 1gjx n VAL 25 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1gjx n VAL 25 Cb 0.38 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gjx n GLY 26 N 5.16 1.63 3.42 2.92 0.00 -1.00 -4.98 105.19 112.34 1gjx n GLY 26 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 1gjx n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gjx s ASP 27 N -2.00 3.43 0.45 1.61 1.01 -1.03 -4.98 116.67 115.16 1gjx s ASP 27 Ca 0.00 -0.85 -0.23 0.00 0.71 0.00 0.00 52.55 52.18 1gjx s ASP 27 Cb 0.00 -0.26 -0.08 0.00 1.01 0.00 0.00 42.92 43.60 1gjx s ASP 27 CO 0.00 0.13 1.15 -0.89 0.21 0.00 0.00 175.17 175.77 1gjx s THR 28 N -1.58 3.16 0.06 -1.27 2.01 -1.26 -3.27 115.64 113.50 1gjx s THR 28 Ca 0.20 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.09 1gjx s THR 28 Cb -0.08 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1gjx s THR 28 CO 0.09 -0.01 -0.06 0.27 -0.69 0.00 0.00 174.62 174.22 1gjx s ILE 29 N -1.55 0.53 0.19 1.82 -4.36 0.46 -4.94 121.20 113.35 1gjx s ILE 29 Ca 0.63 -1.46 0.03 0.00 -0.26 0.00 0.00 60.65 59.58 1gjx s ILE 29 Cb -0.28 -1.08 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 1gjx s ILE 29 CO 0.34 -0.64 0.10 0.00 0.24 0.00 0.00 174.94 174.98 1gjx n ALA 30 N 0.77 0.32 -1.43 2.27 0.00 -1.19 -0.72 120.51 120.52 1gjx n ALA 30 Ca -0.18 -1.03 -0.27 0.00 0.00 0.00 0.00 53.44 51.96 1gjx n ALA 30 Cb 0.58 0.75 -0.03 0.00 0.00 0.00 0.00 19.45 20.75 1gjx n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gjx n VAL 31 N -0.41 3.28 0.00 0.00 0.31 -1.24 -3.34 118.33 116.93 1gjx n VAL 31 Ca -0.00 -2.92 0.00 0.00 -0.01 0.00 0.00 64.34 61.41 1gjx n VAL 31 Cb 0.31 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1gjx n VAL 31 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1gjx n ASP 32 N 0.55 0.00 -3.31 4.52 5.68 -0.54 -4.78 116.55 118.68 1gjx n ASP 32 Ca 0.47 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.69 1gjx n ASP 32 Cb 0.53 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.44 1gjx n ASP 32 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1gjx s ASP 33 N 0.00 -0.05 -0.32 -1.12 -4.77 0.24 -4.94 116.67 105.72 1gjx s ASP 33 Ca 0.00 0.26 -0.41 0.00 -3.30 0.00 0.00 52.55 49.10 1gjx s ASP 33 Cb 0.00 1.31 -0.16 0.00 -1.09 0.00 0.00 42.92 42.98 1gjx s ASP 33 CO 0.00 -0.30 1.77 0.35 0.70 0.00 0.00 175.17 177.69 1gjx n THR 34 N 5.37 0.26 -0.05 2.11 -2.24 -1.25 -1.48 114.28 117.00 1gjx n THR 34 Ca -0.03 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 1gjx n THR 34 Cb 0.50 -1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 67.46 1gjx n THR 34 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gjx n LEU 35 N 5.57 2.65 0.00 3.22 4.77 0.45 -4.84 117.00 128.81 1gjx n LEU 35 Ca 0.29 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.28 1gjx n LEU 35 Cb 0.11 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.27 1gjx n LEU 35 CO 0.82 0.87 0.40 2.30 -1.33 0.00 0.00 177.39 180.45 1gjx n ILE 36 N -3.36 0.00 -3.55 -0.08 -6.64 -1.23 -0.52 119.36 103.98 1gjx n ILE 36 Ca -0.37 -0.66 -0.22 0.00 -1.77 0.00 0.00 62.75 59.72 1gjx n ILE 36 Cb 1.03 0.68 -0.15 0.00 -1.44 0.00 0.00 39.64 39.76 1gjx n ILE 36 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1gjx s THR 37 N -2.34 -0.20 0.26 7.28 2.01 -1.24 -1.55 115.64 119.85 1gjx s THR 37 Ca 0.12 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1gjx s THR 37 Cb -0.03 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1gjx s THR 37 CO 0.08 -0.28 0.47 -0.22 -0.69 0.00 0.00 174.62 173.98 1gjx s LEU 38 N 2.23 4.13 -0.21 4.42 2.96 0.42 0.95 118.68 133.59 1gjx s LEU 38 Ca 0.05 0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 54.18 1gjx s LEU 38 Cb -0.16 -3.30 0.11 0.00 0.50 0.00 0.00 46.19 43.34 1gjx s LEU 38 CO -0.13 -0.14 0.94 -0.70 -1.32 0.00 0.00 176.35 175.00 1gjx s GLU 39 N -3.63 0.64 -0.12 1.98 2.12 -1.22 0.85 118.70 119.34 1gjx s GLU 39 Ca 0.40 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 1gjx s GLU 39 Cb -0.11 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.55 1gjx s GLU 39 CO 0.31 -0.14 -0.26 0.25 -0.54 0.00 0.00 175.26 174.87 1gjx n THR 40 N 1.60 1.42 0.00 -1.70 -2.24 -1.09 -3.52 114.28 108.76 1gjx n THR 40 Ca -0.13 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1gjx n THR 40 Cb 0.57 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 1gjx n THR 40 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gjx n ASP 41 N -4.21 0.00 -1.60 3.42 5.68 -1.26 -4.85 116.55 113.73 1gjx n ASP 41 Ca -0.12 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.08 1gjx n ASP 41 Cb 0.41 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.48 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1gjx n LYS 42 N -0.64 2.37 0.00 0.11 3.00 -1.26 -5.01 118.16 116.73 1gjx n LYS 42 Ca 0.00 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.71 1gjx n LYS 42 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.26 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjx n ALA 43 N -0.72 0.00 -4.04 3.14 0.00 -1.26 -4.89 120.51 112.74 1gjx n ALA 43 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 1gjx n ALA 43 Cb 0.87 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.17 1gjx n ALA 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gjx s THR 44 N -0.15 2.23 -0.10 0.00 -4.23 -1.26 -2.66 115.64 109.47 1gjx s THR 44 Ca 0.00 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1gjx s THR 44 Cb 0.00 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1gjx s THR 44 CO 0.00 0.32 -0.18 -0.32 -0.54 0.00 0.00 174.62 173.90 1gjx s MET 45 N 1.24 2.47 0.48 3.99 1.75 0.25 -4.95 119.30 124.52 1gjx s MET 45 Ca 0.00 -0.67 0.06 0.00 -1.25 0.00 0.00 55.69 53.83 1gjx s MET 45 Cb -0.16 -1.97 -0.01 0.00 2.84 0.00 0.00 34.83 35.53 1gjx s MET 45 CO -0.09 0.05 0.24 0.16 -0.65 0.00 0.00 175.02 174.72 1gjx s ASP 46 N 0.67 4.47 -0.21 1.11 1.47 -1.26 0.16 116.67 123.09 1gjx s ASP 46 Ca -0.13 -1.22 0.02 0.00 1.18 0.00 0.00 52.55 52.39 1gjx s ASP 46 Cb -0.16 0.01 0.03 0.00 -0.34 0.00 0.00 42.92 42.46 1gjx s ASP 46 CO 0.03 -0.80 -0.16 -0.69 0.68 0.00 0.00 175.17 174.23 1gjx s VAL 47 N -2.70 2.04 -0.22 2.11 1.01 -0.60 -4.83 120.40 117.20 1gjx s VAL 47 Ca 0.33 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1gjx s VAL 47 Cb 0.01 -1.97 0.19 0.00 0.00 0.00 0.00 36.38 34.61 1gjx s VAL 47 CO 0.19 0.32 1.83 -0.81 0.00 0.00 0.00 175.10 176.63 1gjx n PRO 48 N 4.57 1.58 -2.99 2.72 -0.04 -1.26 0.17 135.00 139.75 1gjx n PRO 48 Ca -0.18 -1.18 -0.01 0.00 -0.04 0.00 0.00 63.50 62.09 1gjx n PRO 48 Cb 0.47 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1gjx n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gjx n ALA 49 N 0.41 -2.31 -2.31 0.55 0.00 -0.55 0.83 120.51 117.12 1gjx n ALA 49 Ca 0.23 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.67 1gjx n ALA 49 Cb 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1gjx n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 50 N 1.50 4.60 0.00 0.00 0.00 -1.26 -1.46 120.64 124.01 1gjx n GLU 50 Ca -0.05 -3.87 0.00 0.00 0.00 0.00 0.00 57.16 53.24 1gjx n GLU 50 Cb 0.30 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.10 1gjx n GLU 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1gjx n VAL 51 N 1.57 0.00 -2.52 6.31 3.14 -1.21 -4.96 118.33 120.66 1gjx n VAL 51 Ca 0.51 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.89 1gjx n VAL 51 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gjx n ALA 52 N -0.83 0.00 0.00 1.55 0.00 -1.25 -3.20 120.51 116.78 1gjx n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gjx n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gjx n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjx n GLY 53 N 5.00 0.36 2.85 0.00 0.00 0.10 -3.09 105.19 110.41 1gjx n GLY 53 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1gjx n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjx s VAL 54 N 0.00 0.08 0.49 1.61 1.01 -1.26 0.17 120.40 122.50 1gjx s VAL 54 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 1gjx s VAL 54 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.18 1gjx s VAL 54 CO 0.00 0.07 1.19 -0.69 0.00 0.00 0.00 175.10 175.67 1gjx s VAL 55 N 0.46 2.94 -0.01 2.92 1.01 -1.20 0.17 120.40 126.69 1gjx s VAL 55 Ca -0.04 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 1gjx s VAL 55 Cb -0.06 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1gjx s VAL 55 CO -0.01 -0.03 -0.02 0.29 0.00 0.00 0.00 175.10 175.32 1gjx n LYS 56 N -0.73 0.04 -4.55 2.72 4.76 0.41 -2.38 118.16 118.43 1gjx n LYS 56 Ca 0.09 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.28 1gjx n LYS 56 Cb 0.48 -0.57 -0.11 0.00 -1.84 0.00 0.00 35.03 33.00 1gjx n LYS 56 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1gjx s GLU 57 N -2.04 1.87 -0.17 1.97 2.02 -1.18 -4.85 118.70 116.33 1gjx s GLU 57 Ca -0.03 -1.98 -0.14 0.00 0.02 0.00 0.00 54.97 52.84 1gjx s GLU 57 Cb 0.01 -1.70 0.05 0.00 0.10 0.00 0.00 34.13 32.59 1gjx s GLU 57 CO 0.03 0.09 0.44 0.54 0.02 0.00 0.00 175.26 176.38 1gjx s VAL 58 N -2.63 -0.00 -0.37 2.63 0.11 -1.25 -1.71 120.40 117.17 1gjx s VAL 58 Ca 0.33 0.01 0.12 0.00 -2.93 0.00 0.00 61.98 59.52 1gjx s VAL 58 Cb 0.04 -0.62 0.36 0.00 -1.53 0.00 0.00 36.38 34.63 1gjx s VAL 58 CO 0.17 0.01 0.76 0.29 -3.33 0.00 0.00 175.10 172.99 1gjx n LYS 59 N 3.05 0.98 -3.63 1.54 4.76 0.43 -4.93 118.16 120.36 1gjx n LYS 59 Ca -0.15 -3.32 -0.15 0.00 -2.87 0.00 0.00 58.31 51.82 1gjx n LYS 59 Cb 0.57 -1.66 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1gjx s VAL 60 N -2.39 0.00 0.15 -0.18 0.11 -1.26 -4.63 120.40 112.21 1gjx s VAL 60 Ca 0.39 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1gjx s VAL 60 Cb 0.36 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1gjx s VAL 60 CO -0.07 -0.02 0.19 0.29 -3.33 0.00 0.00 175.10 172.16 1gjx n LYS 61 N 2.12 0.28 -3.25 1.54 4.76 -1.26 -5.04 118.16 117.30 1gjx n LYS 61 Ca -0.16 -1.27 -0.46 0.00 -2.87 0.00 0.00 58.31 53.55 1gjx n LYS 61 Cb 0.56 1.18 -0.03 0.00 -1.84 0.00 0.00 35.03 34.90 1gjx n LYS 61 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1gjx s VAL 62 N -2.59 5.35 0.00 -0.18 1.01 -1.26 -4.24 120.40 118.48 1gjx s VAL 62 Ca 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1gjx s VAL 62 Cb -0.00 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1gjx s VAL 62 CO 0.10 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.73 1gjx n GLY 63 N 4.52 1.44 3.68 4.51 0.00 -1.26 -5.04 105.19 113.05 1gjx n GLY 63 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1gjx n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gjx s ASP 64 N -2.00 4.03 -0.24 1.61 -4.77 -1.26 -4.97 116.67 109.08 1gjx s ASP 64 Ca 0.00 -1.43 -0.14 0.00 -3.30 0.00 0.00 52.55 47.68 1gjx s ASP 64 Cb 0.00 -0.09 -0.04 0.00 -1.09 0.00 0.00 42.92 41.69 1gjx s ASP 64 CO 0.00 -0.60 0.32 -0.54 0.70 0.00 0.00 175.17 175.04 1gjx s LYS 65 N -3.80 4.08 0.19 2.11 3.01 -1.25 -3.33 119.74 120.75 1gjx s LYS 65 Ca 0.26 -0.00 0.06 0.00 -1.01 0.00 0.00 55.97 55.28 1gjx s LYS 65 Cb 0.06 -3.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.25 1gjx s LYS 65 CO 0.14 -0.11 -0.10 -1.50 0.51 0.00 0.00 175.35 174.29 1gjx s ILE 66 N 1.54 1.41 -0.05 2.17 1.10 -0.06 -4.79 121.20 122.52 1gjx s ILE 66 Ca 0.14 -2.12 0.00 0.00 -0.51 0.00 0.00 60.65 58.16 1gjx s ILE 66 Cb -0.15 -2.03 0.02 0.00 0.15 0.00 0.00 42.46 40.46 1gjx s ILE 66 CO 0.08 -0.61 -0.02 -0.94 -2.11 0.00 0.00 174.94 171.34 1gjx s SER 67 N -3.26 0.99 -0.48 4.50 1.04 -1.26 0.18 113.70 115.40 1gjx s SER 67 Ca 0.21 -0.09 -0.45 0.00 0.48 0.00 0.00 55.95 56.10 1gjx s SER 67 Cb 0.02 -0.40 -0.19 0.00 0.10 0.00 0.00 66.02 65.55 1gjx s SER 67 CO 0.05 -0.10 1.88 -0.62 0.98 0.00 0.00 173.24 175.43 1gjx n GLU 68 N 4.34 0.11 -0.89 4.02 1.02 -1.26 -3.07 120.64 124.91 1gjx n GLU 68 Ca -0.21 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1gjx n GLU 68 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gjx n GLY 69 N 5.72 0.56 0.00 0.62 0.00 -0.92 -4.88 105.19 106.29 1gjx n GLY 69 Ca 0.42 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1gjx n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 70 N -0.75 4.95 3.24 -0.02 0.00 -1.18 -4.82 105.19 106.63 1gjx n GLY 70 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1gjx n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gjx s LEU 71 N 0.00 6.22 0.00 0.99 2.96 -1.26 -3.54 118.68 124.05 1gjx s LEU 71 Ca 0.00 -2.77 0.00 0.00 -0.22 0.00 0.00 54.13 51.14 1gjx s LEU 71 Cb 0.00 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.61 1gjx s LEU 71 CO 0.00 -0.49 0.00 -0.38 -1.32 0.00 0.00 176.35 174.16 1gjx n ILE 72 N 3.76 0.00 -5.10 6.68 5.41 -0.60 -4.47 119.36 125.05 1gjx n ILE 72 Ca 0.12 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.58 1gjx n ILE 72 Cb 0.44 -0.35 -0.16 0.00 -0.71 0.00 0.00 39.64 38.85 1gjx n ILE 72 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1gjx s VAL 73 N 0.00 1.80 -0.03 1.39 -7.23 -1.26 0.16 120.40 115.24 1gjx s VAL 73 Ca 0.00 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1gjx s VAL 73 Cb 0.00 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1gjx s VAL 73 CO 0.00 0.51 0.09 -0.69 -0.31 0.00 0.00 175.10 174.70 1gjx s VAL 74 N -0.11 4.83 0.25 1.32 1.01 -0.69 0.17 120.40 127.18 1gjx s VAL 74 Ca -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1gjx s VAL 74 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1gjx s VAL 74 CO 0.03 0.40 -0.02 0.68 0.00 0.00 0.00 175.10 176.19 1gjx s VAL 75 N -1.16 1.26 -0.09 2.92 -7.23 0.14 0.16 120.40 116.40 1gjx s VAL 75 Ca 0.21 -2.06 0.14 0.00 -1.81 0.00 0.00 61.98 58.46 1gjx s VAL 75 Cb -0.12 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.36 1gjx s VAL 75 CO 0.12 -0.31 1.18 -0.08 -0.31 0.00 0.00 175.10 175.70 1gjx h GLU 76 N 2.39 0.00 -4.43 4.82 4.81 0.14 0.69 114.58 123.00 1gjx h GLU 76 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1gjx h GLU 76 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1gjx h GLU 76 CO 0.66 0.53 -0.95 0.00 -0.73 0.00 0.00 179.01 178.52 1gjx n ALA 77 N -2.32 -2.05 -3.91 2.92 0.00 -1.18 -3.88 120.51 110.09 1gjx n ALA 77 Ca -0.03 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 1gjx n ALA 77 Cb 0.83 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.85 1gjx n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 78 N 1.85 -1.17 -2.48 0.00 2.13 -1.25 -4.72 120.64 115.00 1gjx n GLU 78 Ca 0.00 0.29 -0.43 0.00 0.66 0.00 0.00 57.16 57.68 1gjx n GLU 78 Cb 0.00 -3.58 -0.02 0.00 0.27 0.00 0.00 31.44 28.11 1gjx n GLU 78 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1gjx s GLY 79 N -3.70 1.49 -0.16 8.31 0.00 -1.26 -4.96 107.32 107.04 1gjx s GLY 79 Ca 0.38 0.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 1gjx s GLY 79 CO 0.92 2.48 0.09 -1.08 0.00 0.00 0.00 173.10 175.50 1gjx s THR 80 N 3.98 5.05 0.00 0.90 -1.32 -1.26 -5.02 115.64 117.97 1gjx s THR 80 Ca 0.53 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 1gjx s THR 80 Cb -0.17 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 1gjx s THR 80 CO 0.19 0.50 0.00 0.00 -2.21 0.00 0.00 174.62 173.10