#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 3.03 0.08 0.00 1.02 -1.20 -4.09 118.68 117.52 1gjx s LEU 2 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 54.13 53.77 1gjx s LEU 2 Cb 0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1gjx s LEU 2 CO 0.00 -1.70 0.03 -0.69 0.02 0.00 0.00 176.35 174.01 1gjx s VAL 3 N -3.04 0.18 -0.06 -1.59 1.01 0.58 -4.91 120.40 112.56 1gjx s VAL 3 Ca 0.64 -1.75 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 1gjx s VAL 3 Cb -0.06 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1gjx s VAL 3 CO 0.43 -0.81 0.00 -1.61 0.00 0.00 0.00 175.10 173.11 1gjx s GLU 4 N -3.95 0.55 0.59 2.72 8.01 -1.26 0.15 118.70 125.52 1gjx s GLU 4 Ca 0.11 0.11 -0.16 0.00 0.01 0.00 0.00 54.97 55.04 1gjx s GLU 4 Cb 0.07 -0.90 -0.04 0.00 -4.31 0.00 0.00 34.13 28.96 1gjx s GLU 4 CO -0.07 -0.28 1.07 -1.17 0.01 0.00 0.00 175.26 174.82 1gjx s LEU 5 N 1.85 3.52 -0.41 1.80 2.96 0.49 -4.94 118.68 123.95 1gjx s LEU 5 Ca 0.03 1.86 0.09 0.00 -0.22 0.00 0.00 54.13 55.90 1gjx s LEU 5 Cb -0.12 -4.54 0.34 0.00 0.50 0.00 0.00 46.19 42.36 1gjx s LEU 5 CO -0.04 -1.21 0.92 0.29 -1.32 0.00 0.00 176.35 174.99 1gjx n LYS 6 N -1.99 1.00 -1.61 1.98 4.01 -1.26 -1.44 118.16 118.85 1gjx n LYS 6 Ca 0.09 -2.68 0.00 0.00 -0.51 0.00 0.00 58.31 55.21 1gjx n LYS 6 Cb 0.53 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 1gjx n LYS 6 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1gjx n VAL 7 N 0.30 -4.06 0.00 -0.18 0.31 -1.26 0.39 118.33 113.84 1gjx n VAL 7 Ca 0.16 1.92 0.00 0.00 -0.01 0.00 0.00 64.34 66.41 1gjx n VAL 7 Cb 0.68 -2.88 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 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 -1.85 0.00 0.00 5.55 -0.04 -1.26 -4.41 135.00 132.98 1gjx n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gjx n PRO 8 Cb 0.27 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gjx n ASP 9 N -0.02 0.00 -0.58 3.54 8.00 -1.26 -4.89 116.55 121.34 1gjx n ASP 9 Ca 0.00 0.00 0.45 0.00 0.71 0.00 0.00 54.79 55.95 1gjx n ASP 9 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 41.80 1gjx n ASP 9 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gjx n ILE 10 N 0.00 -0.06 -2.22 0.53 -0.00 -1.26 -4.75 119.36 111.60 1gjx n ILE 10 Ca 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 62.75 64.16 1gjx n ILE 10 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 39.64 37.30 1gjx n ILE 10 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1gjx n GLY 11 N -1.73 0.93 0.36 3.28 0.00 -1.26 -4.63 105.19 102.14 1gjx n GLY 11 Ca 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.48 0.00 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.40 1gjx n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.94 0.00 -1.63 1.61 -0.00 -1.26 -5.03 115.22 106.97 1gjx n HIS 13 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1gjx n HIS 13 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.11 1gjx n HIS 13 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1gjx n GLU 14 N -0.45 3.50 0.00 -1.40 1.02 -1.26 -4.41 120.64 117.64 1gjx n GLU 14 Ca 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 1gjx n GLU 14 Cb 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 28.45 1gjx n GLU 14 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gjx n ASN 15 N 4.28 0.00 -3.80 1.62 0.23 -1.10 -4.63 115.26 111.87 1gjx n ASN 15 Ca 0.64 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.56 1gjx n ASN 15 Cb 0.30 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.90 1gjx n ASN 15 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1gjx s VAL 16 N 0.00 0.04 0.39 3.53 -7.23 0.50 -4.88 120.40 112.74 1gjx s VAL 16 Ca 0.00 -0.30 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 1gjx s VAL 16 Cb 0.00 -0.46 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 1gjx s VAL 16 CO 0.00 -0.17 1.04 -1.81 -0.31 0.00 0.00 175.10 173.85 1gjx s ASP 17 N -0.65 6.85 0.83 4.85 1.11 -1.26 0.17 116.67 128.57 1gjx s ASP 17 Ca -0.07 2.02 -0.11 0.00 0.18 0.00 0.00 52.55 54.57 1gjx s ASP 17 Cb -0.04 -2.59 0.09 0.00 1.07 0.00 0.00 42.92 41.45 1gjx s ASP 17 CO 0.02 -0.43 1.09 -0.63 1.18 0.00 0.00 175.17 176.40 1gjx s ILE 18 N -1.64 2.96 0.00 0.77 1.01 0.08 -3.51 121.20 120.87 1gjx s ILE 18 Ca 0.56 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1gjx s ILE 18 Cb -0.22 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1gjx s ILE 18 CO 0.28 -0.41 0.11 2.30 0.00 0.00 0.00 174.94 177.22 1gjx n ILE 19 N -3.64 0.00 -3.61 2.92 -6.64 0.38 -4.24 119.36 104.53 1gjx n ILE 19 Ca 0.07 -0.19 -0.15 0.00 -1.77 0.00 0.00 62.75 60.71 1gjx n ILE 19 Cb 0.55 1.35 -0.07 0.00 -1.44 0.00 0.00 39.64 40.04 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 -0.16 -1.33 -0.02 -1.28 0.00 -0.78 -4.78 121.76 113.42 1gjx s ALA 20 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1gjx s ALA 20 Cb 0.00 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1gjx s ALA 20 CO 0.00 -0.38 -0.01 0.54 0.00 0.00 0.00 175.76 175.91 1gjx s VAL 21 N -1.66 0.18 0.00 0.00 0.11 -1.26 -3.70 120.40 114.07 1gjx s VAL 21 Ca -0.10 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1gjx s VAL 21 Cb -0.02 -0.23 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 1gjx s VAL 21 CO 0.04 0.11 0.85 -0.62 -3.33 0.00 0.00 175.10 172.15 1gjx n GLU 22 N 3.67 0.00 -4.34 1.54 -0.58 -0.81 -4.97 120.64 115.16 1gjx n GLU 22 Ca -0.21 -0.79 -0.33 0.00 -0.42 0.00 0.00 57.16 55.41 1gjx n GLU 22 Cb 0.54 0.15 -0.16 0.00 -0.57 0.00 0.00 31.44 31.41 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 0.00 2.48 -0.01 2.62 -7.23 -1.26 -4.95 120.40 112.05 1gjx s VAL 23 Ca 0.04 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1gjx s VAL 23 Cb 0.05 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1gjx s VAL 23 CO -0.02 0.52 0.72 -3.20 -0.31 0.00 0.00 175.10 172.80 1gjx n ASN 24 N 4.34 0.63 -2.08 4.85 5.15 -1.26 -4.99 115.26 121.90 1gjx n ASN 24 Ca -0.20 -1.49 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 1gjx n ASN 24 Cb 0.51 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1gjx n VAL 25 N -0.20-13.40 0.00 3.44 0.31 -1.26 -4.85 118.33 102.37 1gjx n VAL 25 Ca 0.01 3.46 0.00 0.00 -0.01 0.00 0.00 64.34 67.80 1gjx n VAL 25 Cb 0.47 -5.50 0.00 0.00 -0.91 0.00 0.00 33.84 27.90 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 1.86 0.95 3.84 2.92 0.00 -0.63 -4.97 105.19 109.16 1gjx n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.97 5.99 0.17 1.61 1.01 -1.26 -4.88 116.67 117.33 1gjx s ASP 27 Ca 0.00 0.22 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 1gjx s ASP 27 Cb 0.00 -1.79 -0.08 0.00 1.01 0.00 0.00 42.92 42.06 1gjx s ASP 27 CO 0.00 0.25 1.32 -0.89 0.21 0.00 0.00 175.17 176.06 1gjx s THR 28 N -1.30 3.30 0.03 -1.27 2.01 -1.26 -3.24 115.64 113.91 1gjx s THR 28 Ca 0.27 1.02 0.07 0.00 0.31 0.00 0.00 61.69 63.36 1gjx s THR 28 Cb -0.12 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1gjx s THR 28 CO 0.18 0.13 -0.21 0.27 -0.69 0.00 0.00 174.62 174.30 1gjx s ILE 29 N 0.45 1.68 0.20 1.82 -5.25 -0.42 -5.01 121.20 114.67 1gjx s ILE 29 Ca 0.59 -1.13 0.01 0.00 -0.99 0.00 0.00 60.65 59.13 1gjx s ILE 29 Cb -0.36 -1.44 0.01 0.00 2.95 0.00 0.00 42.46 43.62 1gjx s ILE 29 CO 0.35 0.28 0.08 0.00 -1.79 0.00 0.00 174.94 173.87 1gjx n ALA 30 N 2.03 0.25 -0.92 2.27 0.00 -1.17 -1.87 120.51 121.10 1gjx n ALA 30 Ca -0.17 -0.87 -0.19 0.00 0.00 0.00 0.00 53.44 52.22 1gjx n ALA 30 Cb 0.53 0.41 0.05 0.00 0.00 0.00 0.00 19.45 20.44 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 -0.76 2.86 0.00 0.00 0.31 -1.10 -3.32 118.33 116.32 1gjx n VAL 31 Ca -0.04 -1.79 0.00 0.00 -0.01 0.00 0.00 64.34 62.50 1gjx n VAL 31 Cb 0.24 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.16 0.00 -3.62 4.52 5.68 -1.03 -4.82 116.55 117.43 1gjx n ASP 32 Ca 0.34 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.41 1gjx n ASP 32 Cb 0.61 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.42 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 1.69 -0.20 -1.12 -4.77 0.15 -4.91 116.67 107.51 1gjx s ASP 33 Ca 0.00 -0.25 -0.34 0.00 -3.30 0.00 0.00 52.55 48.66 1gjx s ASP 33 Cb 0.00 -0.09 -0.11 0.00 -1.09 0.00 0.00 42.92 41.63 1gjx s ASP 33 CO 0.00 -0.30 2.01 0.35 0.70 0.00 0.00 175.17 177.93 1gjx n THR 34 N 5.29 0.41 -0.03 2.11 -2.24 -1.25 -1.48 114.28 117.11 1gjx n THR 34 Ca -0.05 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1gjx n THR 34 Cb 0.49 -1.85 -0.14 0.00 -2.10 0.00 0.00 70.33 66.73 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 8.20 1.17 0.00 3.22 4.77 0.44 -4.91 117.00 129.89 1gjx n LEU 35 Ca 0.29 0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 56.55 1gjx n LEU 35 Cb 0.28 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1gjx n LEU 35 CO 0.74 0.50 0.46 2.30 -1.33 0.00 0.00 177.39 180.05 1gjx n ILE 36 N -3.11 0.00 -3.69 -0.08 -6.64 -1.24 -1.92 119.36 102.68 1gjx n ILE 36 Ca -0.22 -0.62 -0.17 0.00 -1.77 0.00 0.00 62.75 59.97 1gjx n ILE 36 Cb 1.06 0.67 -0.16 0.00 -1.44 0.00 0.00 39.64 39.77 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 -2.30 -0.16 0.38 7.28 2.01 -1.24 -1.91 115.64 119.70 1gjx s THR 37 Ca 0.13 0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1gjx s THR 37 Cb -0.03 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1gjx s THR 37 CO 0.07 0.14 0.44 -0.22 -0.69 0.00 0.00 174.62 174.37 1gjx s LEU 38 N 1.98 3.66 0.08 4.42 2.96 0.41 0.14 118.68 132.34 1gjx s LEU 38 Ca 0.01 -0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 53.19 1gjx s LEU 38 Cb -0.12 -2.44 0.08 0.00 0.50 0.00 0.00 46.19 44.21 1gjx s LEU 38 CO -0.05 -0.57 0.97 -0.70 -1.32 0.00 0.00 176.35 174.68 1gjx s GLU 39 N -4.18 0.99 0.14 1.98 -6.30 -1.23 0.14 118.70 110.24 1gjx s GLU 39 Ca 0.48 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.46 1gjx s GLU 39 Cb -0.07 0.37 0.00 0.00 0.00 0.00 0.00 34.13 34.43 1gjx s GLU 39 CO 0.30 -0.45 0.00 0.25 0.02 0.00 0.00 175.26 175.38 1gjx n THR 40 N -0.39 0.89 0.00 -1.70 -2.24 -1.02 -4.02 114.28 105.80 1gjx n THR 40 Ca -0.07 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1gjx n THR 40 Cb 0.61 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1gjx n THR 40 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gjx n ASP 41 N -3.46 0.00 -0.01 3.42 2.03 -1.26 -4.97 116.55 112.29 1gjx n ASP 41 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1gjx n ASP 41 Cb 0.02 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1gjx n LYS 42 N -0.97 3.45 -4.88 -0.67 0.00 -1.26 -5.01 118.16 108.81 1gjx n LYS 42 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 1gjx n LYS 42 Cb 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 35.03 33.82 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjx s ALA 43 N -2.07 2.54 -0.05 3.14 0.00 -1.26 -5.12 121.76 118.94 1gjx s ALA 43 Ca -0.01 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1gjx s ALA 43 Cb 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1gjx s ALA 43 CO 0.10 0.31 -0.17 0.95 0.00 0.00 0.00 175.76 176.96 1gjx s THR 44 N 0.16 2.84 0.39 0.00 -4.23 -1.26 -2.43 115.64 111.11 1gjx s THR 44 Ca -0.08 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1gjx s THR 44 Cb -0.15 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1gjx s THR 44 CO 0.05 0.58 0.08 0.23 -0.54 0.00 0.00 174.62 175.03 1gjx n MET 45 N 2.51 0.73 -3.56 3.99 2.81 0.37 -4.95 117.12 119.02 1gjx n MET 45 Ca -0.17 -3.09 -0.07 0.00 -1.81 0.00 0.00 57.70 52.56 1gjx n MET 45 Cb 0.52 1.37 -0.02 0.00 -0.71 0.00 0.00 33.22 34.38 1gjx n MET 45 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1gjx s ASP 46 N -3.27 -0.31 -0.31 7.83 1.47 -1.26 0.16 116.67 120.97 1gjx s ASP 46 Ca 0.12 -0.09 -0.03 0.00 1.18 0.00 0.00 52.55 53.73 1gjx s ASP 46 Cb 0.01 0.40 0.05 0.00 -0.34 0.00 0.00 42.92 43.04 1gjx s ASP 46 CO 0.08 -0.68 0.02 -0.69 0.68 0.00 0.00 175.17 174.59 1gjx s VAL 47 N -3.14 3.15 -0.32 2.11 1.01 -0.80 -4.70 120.40 117.71 1gjx s VAL 47 Ca 0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1gjx s VAL 47 Cb -0.01 -2.81 0.13 0.00 0.00 0.00 0.00 36.38 33.69 1gjx s VAL 47 CO -0.06 -0.13 2.34 -0.81 0.00 0.00 0.00 175.10 176.43 1gjx n PRO 48 N 4.66 1.95 -1.19 2.72 -0.04 -1.26 0.17 135.00 142.01 1gjx n PRO 48 Ca -0.13 -1.68 0.14 0.00 -0.04 0.00 0.00 63.50 61.79 1gjx n PRO 48 Cb 0.44 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.69 -3.33 -2.28 0.55 0.00 -0.55 0.31 120.51 115.90 1gjx n ALA 49 Ca 0.35 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 54.25 1gjx n ALA 49 Cb 0.59 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 1gjx n ALA 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gjx n GLU 50 N -3.64 0.44 -3.68 0.00 0.28 -1.25 -4.35 120.64 108.43 1gjx n GLU 50 Ca -0.02 -1.34 -0.00 0.00 -0.16 0.00 0.00 57.16 55.64 1gjx n GLU 50 Cb 0.63 0.29 -0.01 0.00 1.43 0.00 0.00 31.44 33.79 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1gjx s VAL 51 N -0.19 0.00 -0.57 3.84 -7.23 -1.21 -4.95 120.40 110.08 1gjx s VAL 51 Ca 0.08 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1gjx s VAL 51 Cb 0.18 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 35.23 1gjx s VAL 51 CO -0.06 0.00 0.35 0.00 -0.31 0.00 0.00 175.10 175.08 1gjx s ALA 52 N -2.71 3.28 0.00 1.32 0.00 -1.26 -2.69 121.76 119.71 1gjx s ALA 52 Ca 0.14 -3.37 0.00 0.00 0.00 0.00 0.00 51.96 48.73 1gjx s ALA 52 Cb 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1gjx s ALA 52 CO -0.01 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.10 1gjx n GLY 53 N 2.73 3.34 2.99 0.00 0.00 -0.78 0.20 105.19 113.67 1gjx n GLY 53 Ca 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 0.59 0.52 0.35 1.61 1.01 -1.26 -1.30 120.40 121.92 1gjx s VAL 54 Ca 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 1gjx s VAL 54 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1gjx s VAL 54 CO 0.00 0.08 1.08 -0.69 0.00 0.00 0.00 175.10 175.57 1gjx s VAL 55 N -0.31 3.57 -0.12 2.92 1.01 -1.20 0.15 120.40 126.42 1gjx s VAL 55 Ca 0.01 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 1gjx s VAL 55 Cb -0.03 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1gjx s VAL 55 CO -0.00 0.16 -0.14 0.29 0.00 0.00 0.00 175.10 175.41 1gjx n LYS 56 N 0.46 0.27 -4.11 2.72 4.76 0.42 -1.60 118.16 121.07 1gjx n LYS 56 Ca 0.02 0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 1gjx n LYS 56 Cb 0.47 -1.01 -0.06 0.00 -1.84 0.00 0.00 35.03 32.60 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 -2.23 2.25 -0.30 1.97 2.02 -1.19 -4.84 118.70 116.38 1gjx s GLU 57 Ca -0.17 -1.90 -0.10 0.00 0.02 0.00 0.00 54.97 52.82 1gjx s GLU 57 Cb 0.06 -1.99 0.13 0.00 0.10 0.00 0.00 34.13 32.44 1gjx s GLU 57 CO 0.23 -0.23 0.67 0.54 0.02 0.00 0.00 175.26 176.49 1gjx s VAL 58 N -2.64 -0.97 -0.43 2.63 0.11 -1.25 -3.24 120.40 114.60 1gjx s VAL 58 Ca 0.37 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.52 1gjx s VAL 58 Cb 0.02 -1.00 0.32 0.00 -1.53 0.00 0.00 36.38 34.19 1gjx s VAL 58 CO 0.21 0.00 0.73 0.29 -3.33 0.00 0.00 175.10 173.00 1gjx n LYS 59 N 5.42 1.46 -3.58 1.54 5.02 0.45 -4.95 118.16 123.52 1gjx n LYS 59 Ca -0.11 -3.72 -0.10 0.00 -2.02 0.00 0.00 58.31 52.35 1gjx n LYS 59 Cb 0.49 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gjx s VAL 60 N -2.57 0.00 0.00 -0.18 0.11 -1.26 -4.48 120.40 112.02 1gjx s VAL 60 Ca 0.41 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1gjx s VAL 60 Cb 0.29 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1gjx s VAL 60 CO -0.09 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 171.97 1gjx n LYS 61 N 0.73 0.00 -1.22 1.54 5.02 -1.26 -4.92 118.16 118.05 1gjx n LYS 61 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.93 1gjx n LYS 61 Cb 0.58 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.62 1gjx n LYS 61 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1gjx n VAL 62 N 0.00 3.19 0.00 -0.18 3.14 -1.26 -4.48 118.33 118.74 1gjx n VAL 62 Ca 0.00 -2.50 0.00 0.00 -2.96 0.00 0.00 64.34 58.88 1gjx n VAL 62 Cb 0.00 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 1gjx n VAL 62 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gjx n GLY 63 N 0.04 -1.73 3.47 7.55 0.00 -1.26 -4.86 105.19 108.39 1gjx n GLY 63 Ca 0.45 0.70 -0.15 0.00 0.00 0.00 0.00 46.02 47.02 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 0.00 -0.57 0.16 1.61 -4.77 -1.26 -4.93 116.67 106.91 1gjx s ASP 64 Ca 0.00 0.86 -0.31 0.00 -3.30 0.00 0.00 52.55 49.80 1gjx s ASP 64 Cb 0.00 0.84 -0.09 0.00 -1.09 0.00 0.00 42.92 42.58 1gjx s ASP 64 CO 0.00 -0.39 1.43 -0.54 0.70 0.00 0.00 175.17 176.38 1gjx s LYS 65 N -0.47 4.29 0.36 2.11 1.02 -1.26 -0.74 119.74 125.06 1gjx s LYS 65 Ca -0.06 2.18 0.06 0.00 0.02 0.00 0.00 55.97 58.17 1gjx s LYS 65 Cb -0.03 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1gjx s LYS 65 CO 0.05 -0.45 0.21 -1.50 -0.92 0.00 0.00 175.35 172.74 1gjx s ILE 66 N 0.77 0.25 -0.25 2.17 1.10 0.44 -4.89 121.20 120.79 1gjx s ILE 66 Ca 0.64 -2.00 -0.07 0.00 -0.51 0.00 0.00 60.65 58.71 1gjx s ILE 66 Cb -0.39 -2.42 0.12 0.00 0.15 0.00 0.00 42.46 39.91 1gjx s ILE 66 CO 0.34 0.00 0.51 -0.44 -2.11 0.00 0.00 174.94 173.24 1gjx s SER 67 N -3.47 -0.61 -0.92 4.50 0.01 -1.26 0.19 113.70 112.13 1gjx s SER 67 Ca 0.33 1.11 -0.12 0.00 1.31 0.00 0.00 55.95 58.58 1gjx s SER 67 Cb 0.02 1.73 -0.30 0.00 0.21 0.00 0.00 66.02 67.68 1gjx s SER 67 CO 0.21 -0.24 2.07 -1.84 0.41 0.00 0.00 173.24 173.85 1gjx n GLU 68 N 5.41 0.00 0.00 12.44 -0.00 -1.26 -2.86 120.64 134.37 1gjx n GLU 68 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 1gjx n GLU 68 Cb 0.49 -1.00 0.00 0.00 -0.00 0.00 0.00 31.44 30.94 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gjx n GLY 69 N 5.23 0.63 0.00 -1.84 0.00 0.16 -4.94 105.19 104.43 1gjx n GLY 69 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 1.28 2.69 -0.02 0.00 -1.14 -5.00 105.19 103.01 1gjx n GLY 70 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1gjx n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1gjx n LEU 71 N 0.00 -1.28 0.00 0.99 7.94 -1.22 -4.61 117.00 118.82 1gjx n LEU 71 Ca 0.00 -3.32 0.00 0.00 -1.11 0.00 0.00 56.01 51.58 1gjx n LEU 71 Cb 0.00 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1gjx n LEU 71 CO 0.00 1.73 0.19 -0.38 -1.11 0.00 0.00 177.39 177.82 1gjx n ILE 72 N -1.05 0.00 -4.34 1.96 5.41 -0.52 -4.42 119.36 116.39 1gjx n ILE 72 Ca -0.09 0.88 -0.19 0.00 1.00 0.00 0.00 62.75 64.35 1gjx n ILE 72 Cb 0.86 -1.39 -0.14 0.00 -0.71 0.00 0.00 39.64 38.26 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 -0.76 0.91 -0.07 1.39 -7.23 -1.26 0.17 120.40 113.56 1gjx s VAL 73 Ca 0.00 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1gjx s VAL 73 Cb 0.00 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 1gjx s VAL 73 CO 0.00 0.05 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.13 1gjx s VAL 74 N -0.67 4.11 0.30 1.32 1.01 -1.20 0.19 120.40 125.46 1gjx s VAL 74 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1gjx s VAL 74 Cb -0.06 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1gjx s VAL 74 CO 0.01 0.59 -0.02 0.68 0.00 0.00 0.00 175.10 176.35 1gjx s VAL 75 N -0.87 1.51 0.09 2.92 -7.23 0.12 0.16 120.40 117.10 1gjx s VAL 75 Ca 0.13 -2.08 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 1gjx s VAL 75 Cb -0.11 -2.58 -0.21 0.00 0.56 0.00 0.00 36.38 34.04 1gjx s VAL 75 CO 0.03 -0.20 1.23 -0.08 -0.31 0.00 0.00 175.10 175.77 1gjx h GLU 76 N 2.21 0.68 -4.20 4.82 4.81 0.11 0.16 114.58 123.17 1gjx h GLU 76 Ca -0.40 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.13 1gjx h GLU 76 Cb 1.24 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1gjx h GLU 76 CO 0.69 1.28 -0.98 0.00 -0.73 0.00 0.00 179.01 179.27 1gjx n ALA 77 N -2.63 -1.98 -2.65 2.92 0.00 -1.26 -3.22 120.51 111.70 1gjx n ALA 77 Ca -0.10 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 1gjx n ALA 77 Cb 0.85 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1gjx n ALA 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gjx n GLU 78 N 0.17 -2.60 -3.25 0.00 0.28 0.54 -2.83 120.64 112.94 1gjx n GLU 78 Ca 0.00 0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 1gjx n GLU 78 Cb 0.00 -4.27 0.02 0.00 1.43 0.00 0.00 31.44 28.61 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gjx n GLY 79 N -0.55 -0.36 3.53 -1.84 0.00 -1.03 -4.56 105.19 100.39 1gjx n GLY 79 Ca 0.01 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 1gjx n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gjx n THR 80 N 0.62 0.00 -0.25 2.61 -2.24 -1.13 -5.14 114.28 108.76 1gjx n THR 80 Ca -0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1gjx n THR 80 Cb 0.53 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50