#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjx n LEU 2 N 0.00 -2.08 -4.09 0.00 4.32 -1.08 -4.52 117.00 109.55 1gjx n LEU 2 Ca 0.00 -0.22 -0.08 0.00 -0.02 0.00 0.00 56.01 55.69 1gjx n LEU 2 Cb 0.00 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 40.79 1gjx n LEU 2 CO 0.00 -3.16 -0.31 -0.69 -1.22 0.00 0.00 177.39 172.00 1gjx s VAL 3 N -2.19 0.17 -0.28 4.08 1.01 -0.44 -4.91 120.40 117.85 1gjx s VAL 3 Ca 0.52 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.69 1gjx s VAL 3 Cb -0.10 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.71 1gjx s VAL 3 CO 0.59 -0.79 0.19 -1.61 0.00 0.00 0.00 175.10 173.48 1gjx s GLU 4 N -3.96 0.23 0.26 2.72 8.01 -1.26 -0.78 118.70 123.92 1gjx s GLU 4 Ca 0.12 -0.32 -0.30 0.00 0.01 0.00 0.00 54.97 54.49 1gjx s GLU 4 Cb 0.07 -1.04 -0.10 0.00 -4.31 0.00 0.00 34.13 28.76 1gjx s GLU 4 CO -0.06 -0.97 1.39 -0.51 0.01 0.00 0.00 175.26 175.12 1gjx s LEU 5 N 2.20 4.40 -0.44 1.80 2.01 0.46 -4.88 118.68 124.23 1gjx s LEU 5 Ca 0.09 2.63 0.09 0.00 0.01 0.00 0.00 54.13 56.95 1gjx s LEU 5 Cb -0.15 -3.63 0.31 0.00 0.01 0.00 0.00 46.19 42.73 1gjx s LEU 5 CO -0.32 -0.64 0.71 0.29 1.01 0.00 0.00 176.35 177.39 1gjx n LYS 6 N 2.06 1.47 -1.75 1.70 5.02 -1.26 0.16 118.16 125.56 1gjx n LYS 6 Ca 0.05 -3.74 0.00 0.00 -2.02 0.00 0.00 58.31 52.60 1gjx n LYS 6 Cb 0.41 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1gjx n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1gjx n VAL 7 N 0.59 -5.73 -0.42 -0.18 0.31 -1.26 0.70 118.33 112.34 1gjx n VAL 7 Ca 0.25 2.63 0.00 0.00 -0.01 0.00 0.00 64.34 67.22 1gjx n VAL 7 Cb 0.55 -3.61 0.00 0.00 -0.91 0.00 0.00 33.84 29.86 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 -0.80 -0.14 -3.11 5.55 -0.04 -1.26 -4.38 135.00 130.81 1gjx n PRO 8 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1gjx n PRO 8 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -1.98 6.02 0.07 3.54 9.92 -1.26 -4.53 116.55 128.33 1gjx n ASP 9 Ca 0.00 -3.34 0.08 0.00 -0.53 0.00 0.00 54.79 51.00 1gjx n ASP 9 Cb 0.00 -1.24 0.35 0.00 -0.64 0.00 0.00 41.12 39.59 1gjx n ASP 9 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1gjx n ILE 10 N 1.56 1.19 -3.68 0.53 -6.64 -1.26 -4.74 119.36 106.32 1gjx n ILE 10 Ca 0.26 0.41 -0.24 0.00 -1.77 0.00 0.00 62.75 61.40 1gjx n ILE 10 Cb 0.35 -1.32 0.01 0.00 -1.44 0.00 0.00 39.64 37.24 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 -0.62 -1.19 2.18 3.28 0.00 -1.26 -4.41 105.19 103.16 1gjx n GLY 11 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.74 -1.39 0.00 -0.02 0.00 -1.26 -4.74 105.19 96.03 1gjx n GLY 12 Ca -0.20 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.42 0.00 -0.87 1.61 1.44 -1.26 -5.14 115.22 107.57 1gjx n HIS 13 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1gjx n HIS 13 Cb 0.00 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.36 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1gjx s GLU 14 N -2.00 -1.64 -0.24 -1.40 1.03 -1.26 -4.54 118.70 108.65 1gjx s GLU 14 Ca 0.00 0.04 -0.15 0.00 0.03 0.00 0.00 54.97 54.88 1gjx s GLU 14 Cb 0.00 -1.54 0.02 0.00 -0.80 0.00 0.00 34.13 31.81 1gjx s GLU 14 CO 0.00 -4.01 0.29 0.27 -1.33 0.00 0.00 175.26 170.49 1gjx n ASN 15 N -4.99 -6.51 -4.41 0.83 6.94 -1.18 -4.92 115.26 101.03 1gjx n ASN 15 Ca 0.12 0.35 -0.21 0.00 -0.02 0.00 0.00 54.58 54.82 1gjx n ASN 15 Cb 0.59 -2.43 -0.10 0.00 -2.36 0.00 0.00 39.78 35.48 1gjx n ASN 15 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1gjx s VAL 16 N -1.40 2.11 -0.15 3.53 -7.23 0.52 -4.78 120.40 113.00 1gjx s VAL 16 Ca 0.16 -2.30 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 1gjx s VAL 16 Cb -0.02 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1gjx s VAL 16 CO 0.48 -0.49 0.45 -0.62 -0.31 0.00 0.00 175.10 174.61 1gjx s ASP 17 N -3.39 6.60 0.68 4.85 -1.08 -1.23 0.61 116.67 123.71 1gjx s ASP 17 Ca 0.26 0.71 -0.11 0.00 -0.52 0.00 0.00 52.55 52.89 1gjx s ASP 17 Cb -0.03 -2.27 -0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1gjx s ASP 17 CO 0.11 -0.03 1.06 -0.63 0.52 0.00 0.00 175.17 176.20 1gjx s ILE 18 N 0.87 4.11 0.00 4.11 1.01 -1.13 -3.41 121.20 126.75 1gjx s ILE 18 Ca 0.24 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1gjx s ILE 18 Cb -0.15 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1gjx s ILE 18 CO 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 174.94 174.14 1gjx n ILE 19 N -2.99 0.00 -4.38 2.92 3.06 -1.26 -4.28 119.36 112.43 1gjx n ILE 19 Ca 0.07 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 60.07 1gjx n ILE 19 Cb 0.55 -0.45 -0.09 0.00 0.54 0.00 0.00 39.64 40.18 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1gjx s ALA 20 N -1.70 2.86 -0.27 1.51 0.00 -1.26 -4.86 121.76 118.04 1gjx s ALA 20 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 51.96 50.21 1gjx s ALA 20 Cb 0.00 -0.51 0.14 0.00 0.00 0.00 0.00 23.12 22.75 1gjx s ALA 20 CO 0.00 0.34 0.55 0.54 0.00 0.00 0.00 175.76 177.20 1gjx s VAL 21 N -2.14 -0.88 -0.45 0.00 0.11 -1.24 -4.11 120.40 111.70 1gjx s VAL 21 Ca 0.28 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1gjx s VAL 21 Cb -0.07 -0.91 0.23 0.00 -1.53 0.00 0.00 36.38 34.11 1gjx s VAL 21 CO 0.15 -0.00 0.52 -0.62 -3.33 0.00 0.00 175.10 171.83 1gjx n GLU 22 N 5.42 0.96 -3.64 1.54 1.02 0.41 -4.96 120.64 121.39 1gjx n GLU 22 Ca -0.07 -3.51 -0.14 0.00 -0.02 0.00 0.00 57.16 53.42 1gjx n GLU 22 Cb 0.50 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.27 1gjx n GLU 22 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gjx s VAL 23 N -1.18 -0.40 -0.12 2.62 -7.23 -1.26 -4.68 120.40 108.16 1gjx s VAL 23 Ca 0.35 0.25 0.17 0.00 -1.81 0.00 0.00 61.98 60.93 1gjx s VAL 23 Cb 0.13 -0.46 0.26 0.00 0.56 0.00 0.00 36.38 36.87 1gjx s VAL 23 CO -0.11 0.09 1.14 -3.20 -0.31 0.00 0.00 175.10 172.70 1gjx n ASN 24 N 5.35 2.33 0.00 4.85 2.85 -1.26 -5.01 115.26 124.36 1gjx n ASN 24 Ca -0.06 -2.96 0.00 0.00 -0.11 0.00 0.00 54.58 51.45 1gjx n ASN 24 Cb 0.50 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1gjx n VAL 25 N -1.31 0.00 -0.82 3.44 0.31 -1.26 -4.32 118.33 114.36 1gjx n VAL 25 Ca 0.14 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.22 1gjx n VAL 25 Cb 0.60 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.00 3.20 3.36 2.92 0.00 -1.23 -2.38 105.19 111.06 1gjx n GLY 26 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1gjx n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gjx s ASP 27 N 3.38 2.39 -0.24 1.61 2.15 -1.26 -5.00 116.67 119.70 1gjx s ASP 27 Ca 0.43 -1.13 -0.22 0.00 0.43 0.00 0.00 52.55 52.06 1gjx s ASP 27 Cb 0.11 -0.10 -0.01 0.00 -0.30 0.00 0.00 42.92 42.61 1gjx s ASP 27 CO -0.03 -0.33 0.71 -0.89 -0.17 0.00 0.00 175.17 174.47 1gjx s THR 28 N -3.12 4.93 -0.06 1.71 2.01 -1.26 -3.42 115.64 116.42 1gjx s THR 28 Ca 0.26 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.62 1gjx s THR 28 Cb 0.03 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1gjx s THR 28 CO 0.08 -0.00 -0.17 0.27 -0.69 0.00 0.00 174.62 174.12 1gjx s ILE 29 N 2.55 2.82 0.00 1.82 -4.36 -0.81 -5.03 121.20 118.19 1gjx s ILE 29 Ca 0.30 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1gjx s ILE 29 Cb -0.15 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1gjx s ILE 29 CO 0.08 0.57 0.00 0.00 0.24 0.00 0.00 174.94 175.84 1gjx n ALA 30 N 2.65 0.00 -1.15 2.27 0.00 -1.05 -1.14 120.51 122.10 1gjx n ALA 30 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 1gjx n ALA 30 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 3.04 0.00 0.00 0.31 -1.17 -3.40 118.33 117.12 1gjx n VAL 31 Ca 0.00 -2.25 0.00 0.00 -0.01 0.00 0.00 64.34 62.08 1gjx n VAL 31 Cb 0.00 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.47 0.00 -3.40 4.52 5.68 -1.04 -4.94 116.55 117.84 1gjx n ASP 32 Ca 0.39 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.52 1gjx n ASP 32 Cb 0.57 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.46 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 1.45 -0.30 -1.12 -4.77 0.30 -4.98 116.67 107.25 1gjx s ASP 33 Ca 0.00 -0.59 -0.39 0.00 -3.30 0.00 0.00 52.55 48.27 1gjx s ASP 33 Cb 0.00 0.58 -0.15 0.00 -1.09 0.00 0.00 42.92 42.26 1gjx s ASP 33 CO 0.00 -0.37 1.86 0.35 0.70 0.00 0.00 175.17 177.71 1gjx n THR 34 N 5.32 0.29 -0.02 2.11 -2.24 -1.25 -2.29 114.28 116.20 1gjx n THR 34 Ca -0.02 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 1gjx n THR 34 Cb 0.47 -1.30 -0.14 0.00 -2.10 0.00 0.00 70.33 67.26 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 6.42 2.26 0.00 3.22 4.77 0.47 -4.61 117.00 129.53 1gjx n LEU 35 Ca 0.31 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1gjx n LEU 35 Cb 0.15 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1gjx n LEU 35 CO 0.80 0.77 0.00 2.30 -1.33 0.00 0.00 177.39 179.93 1gjx n ILE 36 N -3.35 0.00 -2.53 -0.08 -0.00 -1.24 0.15 119.36 112.32 1gjx n ILE 36 Ca -0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.41 1gjx n ILE 36 Cb 1.05 0.00 0.09 0.00 -0.00 0.00 0.00 39.64 40.77 1gjx n ILE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1gjx n THR 37 N 0.00 0.00 -0.70 7.28 -1.04 -1.26 -3.35 114.28 115.21 1gjx n THR 37 Ca 0.00 -0.76 -0.23 0.00 -2.04 0.00 0.00 64.05 61.02 1gjx n THR 37 Cb 0.00 0.87 0.01 0.00 -1.82 0.00 0.00 70.33 69.39 1gjx n THR 37 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1gjx n LEU 38 N -1.19 -2.53 -3.53 -4.42 7.94 0.30 -4.26 117.00 109.31 1gjx n LEU 38 Ca -0.19 0.32 -0.08 0.00 -1.11 0.00 0.00 56.01 54.95 1gjx n LEU 38 Cb 0.82 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 44.25 1gjx n LEU 38 CO -0.15 -3.03 0.76 -0.70 -1.11 0.00 0.00 177.39 173.17 1gjx s GLU 39 N -0.74 0.68 0.11 1.96 2.12 -1.22 0.97 118.70 122.58 1gjx s GLU 39 Ca 0.31 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.47 1gjx s GLU 39 Cb -0.25 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1gjx s GLU 39 CO 0.42 -0.28 0.00 0.25 -0.54 0.00 0.00 175.26 175.10 1gjx n THR 40 N -0.01 0.80 0.00 -1.70 -2.24 -1.19 -3.51 114.28 106.43 1gjx n THR 40 Ca -0.07 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1gjx n THR 40 Cb 0.60 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1gjx n THR 40 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gjx n ASP 41 N -3.38 0.00 0.08 3.42 8.00 -1.26 -4.92 116.55 118.48 1gjx n ASP 41 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1gjx n ASP 41 Cb 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 1gjx n ASP 41 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1gjx h LYS 42 N 0.00 0.25 -2.99 -1.24 6.56 -1.91 -3.48 116.57 113.76 1gjx h LYS 42 Ca 0.00 -0.42 -0.05 0.00 -1.06 0.00 0.00 60.65 59.12 1gjx h LYS 42 Cb 0.00 0.16 -0.14 0.00 -0.57 0.00 0.00 32.23 31.68 1gjx h LYS 42 CO 0.00 1.13 0.06 0.00 -2.06 0.00 0.00 179.45 178.58 1gjx s ALA 43 N -2.63 -1.30 -0.21 3.86 0.00 -1.26 -5.15 121.76 115.08 1gjx s ALA 43 Ca -0.07 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1gjx s ALA 43 Cb 0.07 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1gjx s ALA 43 CO 0.86 -0.61 -0.10 0.95 0.00 0.00 0.00 175.76 176.86 1gjx s THR 44 N -3.15 2.88 -0.02 0.00 -4.23 -1.26 -3.17 115.64 106.68 1gjx s THR 44 Ca -0.01 -0.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1gjx s THR 44 Cb -0.00 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1gjx s THR 44 CO -0.07 0.46 -0.11 -0.32 -0.54 0.00 0.00 174.62 174.03 1gjx s MET 45 N 1.41 2.50 0.40 3.99 1.75 0.27 -4.97 119.30 124.65 1gjx s MET 45 Ca 0.05 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 1gjx s MET 45 Cb -0.14 -2.42 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 1gjx s MET 45 CO -0.07 0.61 0.08 0.16 -0.65 0.00 0.00 175.02 175.15 1gjx s ASP 46 N -1.04 2.98 -0.06 1.11 -4.77 -1.26 0.11 116.67 113.73 1gjx s ASP 46 Ca 0.14 -1.56 -0.03 0.00 -3.30 0.00 0.00 52.55 47.80 1gjx s ASP 46 Cb -0.11 0.26 0.04 0.00 -1.09 0.00 0.00 42.92 42.02 1gjx s ASP 46 CO 0.03 -0.78 0.11 -0.69 0.70 0.00 0.00 175.17 174.55 1gjx s VAL 47 N -3.14 -0.19 -0.26 2.11 1.01 -1.21 -4.85 120.40 113.86 1gjx s VAL 47 Ca 0.25 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1gjx s VAL 47 Cb 0.05 -0.23 0.35 0.00 0.00 0.00 0.00 36.38 36.55 1gjx s VAL 47 CO 0.13 0.16 1.57 -0.81 0.00 0.00 0.00 175.10 176.15 1gjx n PRO 48 N 5.30 1.71 -2.87 2.72 -0.04 -1.26 0.18 135.00 140.73 1gjx n PRO 48 Ca -0.04 -1.64 -0.03 0.00 -0.04 0.00 0.00 63.50 61.75 1gjx n PRO 48 Cb 0.50 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.31 -2.33 -2.35 0.55 0.00 -0.97 0.11 120.51 115.20 1gjx n ALA 49 Ca 0.33 1.09 -0.42 0.00 0.00 0.00 0.00 53.44 54.44 1gjx n ALA 49 Cb 1.06 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 2.05 4.15 -3.58 0.00 0.00 -1.26 -3.20 120.64 118.79 1gjx n GLU 50 Ca -0.19 -3.73 -0.09 0.00 0.00 0.00 0.00 57.16 53.15 1gjx n GLU 50 Cb 0.31 -2.75 -0.05 0.00 0.00 0.00 0.00 31.44 28.96 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1gjx s VAL 51 N -0.84 0.00 -0.66 6.31 -7.23 -1.22 -5.01 120.40 111.76 1gjx s VAL 51 Ca 0.42 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.65 1gjx s VAL 51 Cb 0.12 -1.00 0.20 0.00 0.56 0.00 0.00 36.38 36.26 1gjx s VAL 51 CO -0.02 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 175.35 1gjx n ALA 52 N 0.57 3.60 -2.04 1.32 0.00 -1.26 -2.53 120.51 120.18 1gjx n ALA 52 Ca -0.08 -4.52 0.00 0.00 0.00 0.00 0.00 53.44 48.83 1gjx n ALA 52 Cb 0.58 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.58 2.78 3.00 0.00 0.00 -0.29 0.19 105.19 112.46 1gjx n GLY 53 Ca 0.24 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 1.66 -0.01 0.45 1.61 1.01 -1.26 -1.93 120.40 121.93 1gjx s VAL 54 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1gjx s VAL 54 Cb 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 36.38 36.07 1gjx s VAL 54 CO 0.00 0.01 0.96 -0.69 0.00 0.00 0.00 175.10 175.38 1gjx s VAL 55 N 0.23 4.38 0.00 2.92 1.01 -1.00 0.55 120.40 128.49 1gjx s VAL 55 Ca -0.01 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1gjx s VAL 55 Cb -0.02 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1gjx s VAL 55 CO -0.01 -0.39 0.00 0.29 0.00 0.00 0.00 175.10 175.00 1gjx n LYS 56 N -0.85 0.00 -3.91 2.72 4.76 0.25 -3.53 118.16 117.60 1gjx n LYS 56 Ca 0.07 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.29 1gjx n LYS 56 Cb 0.54 -0.74 -0.05 0.00 -1.84 0.00 0.00 35.03 32.94 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 -1.99 2.53 -0.27 1.97 0.41 -1.21 -4.80 118.70 115.33 1gjx s GLU 57 Ca 0.00 -1.46 -0.08 0.00 -0.41 0.00 0.00 54.97 53.02 1gjx s GLU 57 Cb 0.00 -2.31 0.13 0.00 -1.78 0.00 0.00 34.13 30.17 1gjx s GLU 57 CO 0.00 0.05 0.58 0.54 -0.49 0.00 0.00 175.26 175.94 1gjx s VAL 58 N -2.39 -0.90 -0.47 2.63 0.11 -1.24 -3.37 120.40 114.77 1gjx s VAL 58 Ca 0.41 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.56 1gjx s VAL 58 Cb -0.04 -0.91 0.24 0.00 -1.53 0.00 0.00 36.38 34.14 1gjx s VAL 58 CO 0.25 0.01 0.56 0.29 -3.33 0.00 0.00 175.10 172.88 1gjx n LYS 59 N 5.43 1.18 -3.60 1.54 5.02 0.44 -4.96 118.16 123.21 1gjx n LYS 59 Ca -0.09 -3.66 -0.04 0.00 -2.02 0.00 0.00 58.31 52.50 1gjx n LYS 59 Cb 0.49 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.39 0.00 0.00 -0.18 0.11 -1.26 -4.52 120.40 113.16 1gjx s VAL 60 Ca 0.36 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1gjx s VAL 60 Cb 0.14 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1gjx s VAL 60 CO -0.10 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.84 1gjx n LYS 61 N -0.12 0.00 -3.23 1.54 3.00 -1.26 -5.03 118.16 113.06 1gjx n LYS 61 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.94 1gjx n LYS 61 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.58 1gjx n LYS 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1gjx n VAL 62 N 0.00 4.00 0.00 3.15 0.31 -1.26 -4.54 118.33 119.99 1gjx n VAL 62 Ca 0.00 -5.59 0.00 0.00 -0.01 0.00 0.00 64.34 58.74 1gjx n VAL 62 Cb 0.00 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.80 1gjx n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gjx n GLY 63 N 1.27 0.00 3.30 2.92 0.00 -1.26 -5.02 105.19 106.39 1gjx n GLY 63 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 1.15 -0.16 1.61 -4.77 -1.26 -5.00 116.67 108.23 1gjx s ASP 64 Ca 0.00 -1.48 -0.12 0.00 -3.30 0.00 0.00 52.55 47.65 1gjx s ASP 64 Cb 0.00 0.32 -0.05 0.00 -1.09 0.00 0.00 42.92 42.10 1gjx s ASP 64 CO 0.00 -0.84 0.23 -0.54 0.70 0.00 0.00 175.17 174.73 1gjx s LYS 65 N -3.94 4.12 0.03 2.11 -0.14 -1.25 -2.86 119.74 117.80 1gjx s LYS 65 Ca 0.37 -0.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 1gjx s LYS 65 Cb 0.06 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 1gjx s LYS 65 CO 0.16 0.35 -0.04 0.42 -0.76 0.00 0.00 175.35 175.48 1gjx s ILE 66 N 0.16 0.22 -0.01 2.17 1.09 0.20 -4.79 121.20 120.24 1gjx s ILE 66 Ca 0.14 -1.07 -0.01 0.00 -1.10 0.00 0.00 60.65 58.62 1gjx s ILE 66 Cb -0.13 -0.50 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 1gjx s ILE 66 CO 0.03 -0.54 0.02 -0.44 -0.10 0.00 0.00 174.94 173.91 1gjx s SER 67 N -1.68 -0.02 -0.99 3.58 0.01 -1.26 0.19 113.70 113.53 1gjx s SER 67 Ca -0.12 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.02 1gjx s SER 67 Cb -0.08 0.05 -0.30 0.00 0.21 0.00 0.00 66.02 65.90 1gjx s SER 67 CO -0.02 -0.01 2.31 -0.62 0.41 0.00 0.00 173.24 175.31 1gjx n GLU 68 N 3.04 0.02 0.00 12.44 4.71 -1.26 -2.48 120.64 137.11 1gjx n GLU 68 Ca -0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.01 1gjx n GLU 68 Cb 0.60 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gjx n GLY 69 N 5.81 0.59 0.04 0.62 0.00 0.22 -4.97 105.19 107.50 1gjx n GLY 69 Ca 0.67 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 2.51 3.78 -0.02 0.00 -1.03 -4.98 105.19 105.45 1gjx n GLY 70 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.62 -2.42 0.00 0.99 7.94 -1.21 -4.91 117.00 116.77 1gjx n LEU 71 Ca 0.04 -1.05 0.00 0.00 -1.11 0.00 0.00 56.01 53.89 1gjx n LEU 71 Cb 0.39 -2.27 0.00 0.00 0.53 0.00 0.00 43.42 42.07 1gjx n LEU 71 CO 0.00 0.50 0.49 -0.38 -1.11 0.00 0.00 177.39 176.90 1gjx n ILE 72 N -4.33 0.00 -4.16 1.96 5.41 0.43 -4.53 119.36 114.13 1gjx n ILE 72 Ca -0.14 1.48 -0.17 0.00 1.00 0.00 0.00 62.75 64.92 1gjx n ILE 72 Cb 0.61 -2.33 -0.12 0.00 -0.71 0.00 0.00 39.64 37.09 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 -2.94 1.03 -0.06 1.39 -7.23 -1.18 0.17 120.40 111.58 1gjx s VAL 73 Ca 0.00 -1.37 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 1gjx s VAL 73 Cb 0.00 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 1gjx s VAL 73 CO 0.00 -0.32 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.57 1gjx s VAL 74 N -1.55 1.82 0.44 1.32 1.01 -1.22 0.17 120.40 122.40 1gjx s VAL 74 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1gjx s VAL 74 Cb -0.08 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1gjx s VAL 74 CO 0.02 0.51 0.04 0.68 0.00 0.00 0.00 175.10 176.35 1gjx s VAL 75 N -0.01 1.20 -0.08 2.92 -7.23 0.04 0.86 120.40 118.11 1gjx s VAL 75 Ca -0.06 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 1gjx s VAL 75 Cb -0.14 -2.45 -0.29 0.00 0.56 0.00 0.00 36.38 34.06 1gjx s VAL 75 CO 0.04 0.00 0.58 -0.08 -0.31 0.00 0.00 175.10 175.32 1gjx h GLU 76 N 1.63 0.34 -4.22 4.82 4.81 -0.20 -1.16 114.58 120.59 1gjx h GLU 76 Ca -0.42 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.24 1gjx h GLU 76 Cb 1.28 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1gjx h GLU 76 CO 0.71 1.28 -0.89 0.00 -0.73 0.00 0.00 179.01 179.38 1gjx n ALA 77 N -2.92 -1.89 -4.26 2.92 0.00 -1.26 -2.63 120.51 110.48 1gjx n ALA 77 Ca -0.26 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 1gjx n ALA 77 Cb 1.03 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 1.16 -2.82 0.13 0.00 0.28 0.50 -4.54 120.64 115.35 1gjx n GLU 78 Ca 0.00 0.34 -0.05 0.00 -0.16 0.00 0.00 57.16 57.28 1gjx n GLU 78 Cb 0.00 -5.01 -0.03 0.00 1.43 0.00 0.00 31.44 27.84 1gjx n GLU 78 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1gjx h GLY 79 N -1.43 -0.37 -2.34 -1.84 0.00 -1.77 -3.46 103.07 91.86 1gjx h GLY 79 Ca -0.59 0.14 -0.49 0.00 0.00 0.00 0.00 47.33 46.38 1gjx h GLY 79 CO 0.79 -0.13 0.05 -0.51 0.00 0.00 0.00 176.54 176.74 1gjx s THR 80 N -2.97 4.91 -0.12 4.70 -4.23 -1.26 -5.15 115.64 111.51 1gjx s THR 80 Ca -0.05 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1gjx s THR 80 Cb 0.01 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1gjx s THR 80 CO 0.15 -0.68 0.53 0.00 -0.54 0.00 0.00 174.62 174.09