#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 0.00 -3.70 0.00 4.77 -1.26 -3.02 117.00 113.79 1gjx n LEU 2 Ca 0.00 -2.74 -0.10 0.00 -0.03 0.00 0.00 56.01 53.14 1gjx n LEU 2 Cb 0.00 0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 41.99 1gjx n LEU 2 CO 0.00 -0.43 0.13 -0.69 -1.33 0.00 0.00 177.39 175.07 1gjx s VAL 3 N -2.92 0.07 -0.38 4.08 1.01 0.45 -4.70 120.40 118.02 1gjx s VAL 3 Ca 0.19 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1gjx s VAL 3 Cb 0.01 -1.30 0.13 0.00 0.00 0.00 0.00 36.38 35.23 1gjx s VAL 3 CO 0.14 -0.33 0.21 -1.83 0.00 0.00 0.00 175.10 173.29 1gjx s GLU 4 N -3.83 0.85 1.13 2.72 -1.05 -1.26 0.20 118.70 117.45 1gjx s GLU 4 Ca 0.05 -1.55 -0.18 0.00 -0.15 0.00 0.00 54.97 53.14 1gjx s GLU 4 Cb 0.02 -1.77 0.13 0.00 -0.44 0.00 0.00 34.13 32.07 1gjx s GLU 4 CO -0.10 -1.16 0.13 1.28 0.95 0.00 0.00 175.26 176.36 1gjx n LEU 5 N 3.96 -2.24 -3.55 1.83 7.99 0.48 -4.78 117.00 120.69 1gjx n LEU 5 Ca 0.09 -0.13 -0.11 0.00 -0.01 0.00 0.00 56.01 55.84 1gjx n LEU 5 Cb 0.37 -0.99 -0.03 0.00 -0.11 0.00 0.00 43.42 42.66 1gjx n LEU 5 CO 0.18 -3.11 0.34 -0.54 -1.51 0.00 0.00 177.39 172.74 1gjx s LYS 6 N -3.56 1.30 0.31 3.23 3.01 -1.26 -1.36 119.74 121.41 1gjx s LYS 6 Ca 0.58 -0.63 -0.28 0.00 -1.01 0.00 0.00 55.97 54.63 1gjx s LYS 6 Cb -0.13 0.56 -0.13 0.00 -1.01 0.00 0.00 37.83 37.11 1gjx s LYS 6 CO 0.66 -0.56 1.14 0.28 0.51 0.00 0.00 175.35 177.38 1gjx n VAL 7 N -0.35 1.99 -0.41 3.17 0.31 -1.26 -4.78 118.33 117.00 1gjx n VAL 7 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1gjx n VAL 7 Cb 0.64 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 0.65 -0.63 -2.43 5.55 -0.04 -1.26 -3.60 135.00 133.24 1gjx n PRO 8 Ca 0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 1gjx n PRO 8 Cb 0.34 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.81 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 -2.45 7.55 0.01 3.54 9.92 -1.26 -4.46 116.55 129.40 1gjx n ASP 9 Ca 0.00 -3.50 0.22 0.00 -0.53 0.00 0.00 54.79 50.98 1gjx n ASP 9 Cb 0.00 -1.24 0.60 0.00 -0.64 0.00 0.00 41.12 39.84 1gjx n ASP 9 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1gjx h ILE 10 N 2.38 0.18 -4.23 0.53 -0.00 -1.91 -3.45 117.51 111.01 1gjx h ILE 10 Ca 0.58 0.00 -0.15 0.00 -0.00 0.00 0.00 64.86 65.29 1gjx h ILE 10 Cb 0.32 0.37 0.10 0.00 -0.00 0.00 0.00 36.82 37.62 1gjx h ILE 10 CO 1.29 0.00 -0.45 0.61 -0.00 0.00 0.00 178.15 179.59 1gjx n GLY 11 N -1.55 -0.15 1.79 0.16 0.00 -1.26 -4.26 105.19 99.91 1gjx n GLY 11 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.27 -0.83 0.00 -0.02 0.00 -1.26 -4.55 105.19 97.27 1gjx n GLY 12 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.34 0.00 -1.08 1.61 1.44 -1.26 -5.10 115.22 108.49 1gjx n HIS 13 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1gjx n HIS 13 Cb 0.00 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.56 -0.25 -0.04 -1.40 1.03 -1.26 -4.55 118.70 110.66 1gjx s GLU 14 Ca 0.00 0.35 -0.00 0.00 0.03 0.00 0.00 54.97 55.34 1gjx s GLU 14 Cb 0.00 -1.67 0.00 0.00 -0.80 0.00 0.00 34.13 31.66 1gjx s GLU 14 CO 0.00 -3.15 0.00 0.27 -1.33 0.00 0.00 175.26 171.05 1gjx n ASN 15 N -4.44 -6.75 0.00 0.83 6.94 -1.18 -4.94 115.26 105.72 1gjx n ASN 15 Ca 0.07 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.22 1gjx n ASN 15 Cb 0.58 -2.09 0.00 0.00 -2.36 0.00 0.00 39.78 35.91 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 1.34 0.00 -3.68 3.53 0.24 0.44 -4.85 118.33 115.36 1gjx n VAL 16 Ca -0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 1gjx n VAL 16 Cb 0.40 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.59 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 1.00 0.95 0.95 -1.34 1.01 -1.24 -2.60 116.67 115.40 1gjx s ASP 17 Ca 0.00 0.11 -0.11 0.00 0.71 0.00 0.00 52.55 53.25 1gjx s ASP 17 Cb 0.00 -0.08 0.16 0.00 1.01 0.00 0.00 42.92 44.01 1gjx s ASP 17 CO 0.00 -0.23 1.09 -0.63 0.21 0.00 0.00 175.17 175.61 1gjx s ILE 18 N 2.04 2.42 0.00 0.77 1.01 -1.21 -3.34 121.20 122.89 1gjx s ILE 18 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1gjx s ILE 18 Cb -0.12 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1gjx s ILE 18 CO -0.03 -0.18 0.00 2.30 0.00 0.00 0.00 174.94 177.03 1gjx n ILE 19 N -4.18 0.00 -3.73 2.92 -5.35 0.19 -3.99 119.36 105.22 1gjx n ILE 19 Ca 0.08 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1gjx n ILE 19 Cb 0.54 0.83 -0.05 0.00 -1.74 0.00 0.00 39.64 39.22 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gjx s ALA 20 N -0.80 -0.70 -0.10 -1.28 0.00 0.28 -4.83 121.76 114.33 1gjx s ALA 20 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1gjx s ALA 20 Cb 0.00 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1gjx s ALA 20 CO 0.00 -0.66 0.24 0.54 0.00 0.00 0.00 175.76 175.88 1gjx s VAL 21 N -3.85 -0.03 -0.49 0.00 0.11 -1.26 -3.97 120.40 110.91 1gjx s VAL 21 Ca 0.07 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1gjx s VAL 21 Cb 0.02 -0.37 0.22 0.00 -1.53 0.00 0.00 36.38 34.72 1gjx s VAL 21 CO -0.08 0.04 0.84 -0.62 -3.33 0.00 0.00 175.10 171.95 1gjx n GLU 22 N 3.82 0.62 -3.52 1.54 1.02 -0.73 -4.98 120.64 118.42 1gjx n GLU 22 Ca -0.21 -1.80 -0.12 0.00 -0.02 0.00 0.00 57.16 55.01 1gjx n GLU 22 Cb 0.55 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.77 -0.51 -0.45 2.62 -7.23 -1.26 -4.70 120.40 109.63 1gjx s VAL 23 Ca 0.31 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 1gjx s VAL 23 Cb 0.12 -0.66 0.12 0.00 0.56 0.00 0.00 36.38 36.52 1gjx s VAL 23 CO -0.15 -0.04 0.21 0.20 -0.31 0.00 0.00 175.10 175.02 1gjx s ASN 24 N 2.48 4.89 -0.45 4.85 -0.87 -1.26 -5.03 114.94 119.56 1gjx s ASN 24 Ca 0.06 -2.44 -0.42 0.00 -1.57 0.00 0.00 52.86 48.49 1gjx s ASN 24 Cb -0.14 -1.73 -0.17 0.00 -0.02 0.00 0.00 41.25 39.19 1gjx s ASN 24 CO -0.13 -0.39 2.13 1.33 -2.57 0.00 0.00 177.10 177.47 1gjx n VAL 25 N 3.95 0.06 0.00 1.60 0.24 -1.26 -2.12 118.33 120.80 1gjx n VAL 25 Ca 0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1gjx n VAL 25 Cb 0.39 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gjx n GLY 26 N 7.03 1.83 3.38 7.63 0.00 -0.71 -4.96 105.19 119.39 1gjx n GLY 26 Ca 0.50 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 3.26 0.32 1.61 1.01 -0.90 -4.96 116.67 115.00 1gjx s ASP 27 Ca 0.00 -0.74 -0.27 0.00 0.71 0.00 0.00 52.55 52.25 1gjx s ASP 27 Cb 0.00 -0.22 -0.09 0.00 1.01 0.00 0.00 42.92 43.62 1gjx s ASP 27 CO 0.00 0.17 1.01 -0.89 0.21 0.00 0.00 175.17 175.67 1gjx s THR 28 N -1.06 3.88 0.16 -1.27 2.01 -1.26 -2.97 115.64 115.13 1gjx s THR 28 Ca 0.13 1.66 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 1gjx s THR 28 Cb -0.10 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1gjx s THR 28 CO 0.06 0.23 0.16 0.27 -0.69 0.00 0.00 174.62 174.64 1gjx s ILE 29 N -1.44 0.07 0.06 1.82 -5.25 0.42 -4.95 121.20 111.94 1gjx s ILE 29 Ca 0.49 -1.72 0.00 0.00 -0.99 0.00 0.00 60.65 58.43 1gjx s ILE 29 Cb -0.24 -2.04 -0.00 0.00 2.95 0.00 0.00 42.46 43.13 1gjx s ILE 29 CO 0.30 -0.33 0.01 0.00 -1.79 0.00 0.00 174.94 173.14 1gjx n ALA 30 N -0.17 0.07 -1.15 2.27 0.00 -1.26 -1.75 120.51 118.53 1gjx n ALA 30 Ca -0.05 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1gjx n ALA 30 Cb 0.64 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.13 3.03 0.00 0.00 0.31 0.18 -3.59 118.33 118.12 1gjx n VAL 31 Ca -0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 64.34 62.08 1gjx n VAL 31 Cb 0.08 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 0.51 0.00 -3.34 4.52 5.68 -1.01 -4.85 116.55 118.06 1gjx n ASP 32 Ca 0.39 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.59 1gjx n ASP 32 Cb 0.57 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.48 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 0.34 -0.39 -1.12 -4.77 0.44 -4.96 116.67 106.21 1gjx s ASP 33 Ca 0.00 0.03 -0.43 0.00 -3.30 0.00 0.00 52.55 48.85 1gjx s ASP 33 Cb 0.00 1.09 -0.18 0.00 -1.09 0.00 0.00 42.92 42.74 1gjx s ASP 33 CO 0.00 -0.32 1.71 0.35 0.70 0.00 0.00 175.17 177.61 1gjx n THR 34 N 5.36 0.16 -0.07 2.11 -2.24 -1.25 -2.17 114.28 116.18 1gjx n THR 34 Ca -0.02 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1gjx n THR 34 Cb 0.50 -0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 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 4.99 2.27 -3.93 3.22 4.77 0.51 -4.86 117.00 123.97 1gjx n LEU 35 Ca 0.30 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1gjx n LEU 35 Cb 0.04 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1gjx n LEU 35 CO 0.85 0.59 0.37 0.27 -1.33 0.00 0.00 177.39 178.14 1gjx s ILE 36 N -2.47 0.00 -0.09 -0.08 -5.25 -1.24 -1.77 121.20 110.31 1gjx s ILE 36 Ca -0.28 -1.26 -0.03 0.00 -0.99 0.00 0.00 60.65 58.09 1gjx s ILE 36 Cb 0.07 -2.86 0.04 0.00 2.95 0.00 0.00 42.46 42.66 1gjx s ILE 36 CO 0.65 0.00 0.05 -0.89 -1.79 0.00 0.00 174.94 172.96 1gjx s THR 37 N -2.45 0.03 0.49 8.37 2.01 -1.25 -1.97 115.64 120.86 1gjx s THR 37 Ca 0.22 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1gjx s THR 37 Cb -0.03 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1gjx s THR 37 CO 0.16 0.06 0.30 -0.76 -0.69 0.00 0.00 174.62 173.69 1gjx s LEU 38 N 2.11 2.85 -0.25 4.42 1.02 0.72 0.55 118.68 130.09 1gjx s LEU 38 Ca 0.04 -1.19 -0.35 0.00 0.02 0.00 0.00 54.13 52.65 1gjx s LEU 38 Cb -0.13 -1.31 0.16 0.00 0.02 0.00 0.00 46.19 44.93 1gjx s LEU 38 CO -0.05 -0.88 1.30 -0.70 0.02 0.00 0.00 176.35 176.04 1gjx s GLU 39 N -4.12 0.16 0.19 1.70 -6.30 -1.21 0.17 118.70 109.28 1gjx s GLU 39 Ca 0.34 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.78 1gjx s GLU 39 Cb -0.00 0.07 0.00 0.00 0.00 0.00 0.00 34.13 34.20 1gjx s GLU 39 CO 0.20 -0.06 0.00 0.25 0.02 0.00 0.00 175.26 175.67 1gjx n THR 40 N 0.12 0.47 0.00 -1.70 -2.24 -1.17 -3.63 114.28 106.14 1gjx n THR 40 Ca 0.02 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1gjx n THR 40 Cb 0.58 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.42 0.00 0.16 3.42 -0.08 -1.26 -4.95 116.55 110.43 1gjx n ASP 41 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1gjx n ASP 41 Cb 0.02 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.69 1gjx n ASP 41 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1gjx h LYS 42 N 0.00 0.00 0.00 -0.67 1.79 -1.86 -3.48 116.57 112.35 1gjx h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1gjx h LYS 42 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1gjx h LYS 42 CO 0.00 0.46 0.00 0.00 -1.08 0.00 0.00 179.45 178.83 1gjx n ALA 43 N -2.28 0.00 -2.95 3.86 0.00 -1.26 -5.10 120.51 112.77 1gjx n ALA 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1gjx n ALA 43 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.00 3.79 0.00 0.00 -4.23 -1.26 -3.05 115.64 108.89 1gjx s THR 44 Ca 0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1gjx s THR 44 Cb 0.00 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1gjx s THR 44 CO 0.00 0.50 0.00 0.23 -0.54 0.00 0.00 174.62 174.81 1gjx n MET 45 N 3.47 1.74 -3.60 3.99 2.81 0.44 -4.91 117.12 121.06 1gjx n MET 45 Ca -0.17 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.72 1gjx n MET 45 Cb 0.53 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.03 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 -0.87 -0.05 -0.10 7.83 1.47 -1.26 -0.20 116.67 123.49 1gjx s ASP 46 Ca 0.00 -0.07 0.01 0.00 1.18 0.00 0.00 52.55 53.67 1gjx s ASP 46 Cb 0.00 0.11 0.02 0.00 -0.34 0.00 0.00 42.92 42.71 1gjx s ASP 46 CO 0.00 -0.20 -0.12 -0.69 0.68 0.00 0.00 175.17 174.84 1gjx s VAL 47 N -2.30 1.27 -0.22 2.11 1.01 -0.83 -4.83 120.40 116.61 1gjx s VAL 47 Ca 0.13 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1gjx s VAL 47 Cb 0.04 -1.18 0.32 0.00 0.00 0.00 0.00 36.38 35.56 1gjx s VAL 47 CO -0.05 0.40 1.47 -0.81 0.00 0.00 0.00 175.10 176.11 1gjx n PRO 48 N 4.26 1.62 -2.43 2.72 -0.04 -1.26 0.19 135.00 140.06 1gjx n PRO 48 Ca -0.19 -1.47 -0.01 0.00 -0.04 0.00 0.00 63.50 61.79 1gjx n PRO 48 Cb 0.51 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.28 -2.10 -3.05 0.55 0.00 -0.92 0.17 120.51 114.88 1gjx n ALA 49 Ca 0.29 0.83 -0.41 0.00 0.00 0.00 0.00 53.44 54.16 1gjx n ALA 49 Cb 1.05 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.94 4.25 -1.34 0.00 2.13 -1.26 -2.40 120.64 123.96 1gjx n GLU 50 Ca -0.11 -4.58 -0.01 0.00 0.66 0.00 0.00 57.16 53.12 1gjx n GLU 50 Cb 0.17 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.41 1gjx n GLU 50 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1gjx n VAL 51 N 1.17 0.00 -2.72 6.31 0.24 -1.24 -4.99 118.33 117.11 1gjx n VAL 51 Ca 0.27 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.38 1gjx n VAL 51 Cb 0.34 0.10 0.10 0.00 -1.47 0.00 0.00 33.84 32.91 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gjx n ALA 52 N -2.76 -0.07 -2.00 2.33 0.00 -1.26 0.48 120.51 117.22 1gjx n ALA 52 Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1gjx n ALA 52 Cb 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.04 2.04 2.91 0.00 0.00 -0.72 0.16 105.19 109.62 1gjx n GLY 53 Ca 0.03 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 1.95 0.24 0.48 1.61 1.01 -1.25 0.16 120.40 124.60 1gjx s VAL 54 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1gjx s VAL 54 Cb 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 36.09 1gjx s VAL 54 CO 0.00 0.08 1.12 -0.69 0.00 0.00 0.00 175.10 175.60 1gjx s VAL 55 N 0.02 3.32 -0.04 2.92 1.01 -1.16 0.17 120.40 126.64 1gjx s VAL 55 Ca 0.00 0.90 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 1gjx s VAL 55 Cb -0.02 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1gjx s VAL 55 CO -0.00 -0.10 -0.05 0.29 0.00 0.00 0.00 175.10 175.24 1gjx n LYS 56 N -0.79 0.09 -3.97 2.72 4.76 0.25 -1.75 118.16 119.47 1gjx n LYS 56 Ca 0.09 0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.31 1gjx n LYS 56 Cb 0.50 -0.66 -0.03 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 -2.08 2.28 -0.29 1.97 0.41 -1.21 -4.81 118.70 114.98 1gjx s GLU 57 Ca -0.06 -1.94 -0.16 0.00 -0.41 0.00 0.00 54.97 52.41 1gjx s GLU 57 Cb 0.02 -2.06 0.12 0.00 -1.78 0.00 0.00 34.13 30.43 1gjx s GLU 57 CO 0.07 -0.41 0.86 0.54 -0.49 0.00 0.00 175.26 175.83 1gjx s VAL 58 N -2.69 -0.08 -0.42 2.63 0.11 -1.26 -3.14 120.40 115.54 1gjx s VAL 58 Ca 0.35 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 1gjx s VAL 58 Cb -0.01 -1.00 0.23 0.00 -1.53 0.00 0.00 36.38 34.08 1gjx s VAL 58 CO 0.21 0.00 0.60 0.29 -3.33 0.00 0.00 175.10 172.87 1gjx n LYS 59 N 4.09 0.65 -3.59 1.54 4.01 0.90 -4.95 118.16 120.80 1gjx n LYS 59 Ca -0.18 -2.78 -0.09 0.00 -0.51 0.00 0.00 58.31 54.74 1gjx n LYS 59 Cb 0.57 -1.35 -0.05 0.00 -0.51 0.00 0.00 35.03 33.69 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1gjx s VAL 60 N -0.44 0.00 0.17 -0.18 0.11 -1.26 -4.64 120.40 114.15 1gjx s VAL 60 Ca 0.34 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.35 1gjx s VAL 60 Cb 0.16 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1gjx s VAL 60 CO -0.15 0.00 0.29 2.29 -3.33 0.00 0.00 175.10 174.20 1gjx n LYS 61 N 0.90 0.42 -3.12 1.54 0.00 -1.26 -4.97 118.16 111.67 1gjx n LYS 61 Ca -0.09 -1.09 -0.44 0.00 -0.00 0.00 0.00 58.31 56.69 1gjx n LYS 61 Cb 0.58 1.21 0.00 0.00 -0.00 0.00 0.00 35.03 36.82 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 -0.24 4.51 0.00 0.58 0.31 -1.26 -4.28 118.33 117.94 1gjx n VAL 62 Ca -0.02 -5.15 0.00 0.00 -0.01 0.00 0.00 64.34 59.16 1gjx n VAL 62 Cb 0.26 -2.50 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 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 3.08 0.38 3.40 2.92 0.00 -1.26 -5.00 105.19 108.72 1gjx n GLY 63 Ca 0.30 0.00 -0.20 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 -0.33 1.93 -0.35 1.61 -4.77 -1.26 -4.99 116.67 108.52 1gjx s ASP 64 Ca 0.00 -1.41 -0.19 0.00 -3.30 0.00 0.00 52.55 47.65 1gjx s ASP 64 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 1gjx s ASP 64 CO 0.00 -0.68 0.59 -0.54 0.70 0.00 0.00 175.17 175.23 1gjx s LYS 65 N -3.93 3.66 0.16 2.11 1.02 -1.25 -3.32 119.74 118.17 1gjx s LYS 65 Ca 0.36 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.37 1gjx s LYS 65 Cb 0.08 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1gjx s LYS 65 CO 0.15 -0.70 -0.10 -1.50 -0.92 0.00 0.00 175.35 172.28 1gjx s ILE 66 N 2.58 1.21 -0.00 2.17 1.10 -1.07 -4.80 121.20 122.39 1gjx s ILE 66 Ca 0.22 -2.07 -0.06 0.00 -0.51 0.00 0.00 60.65 58.23 1gjx s ILE 66 Cb -0.15 -1.89 0.00 0.00 0.15 0.00 0.00 42.46 40.57 1gjx s ILE 66 CO 0.14 -0.71 0.12 -0.94 -2.11 0.00 0.00 174.94 171.44 1gjx s SER 67 N -3.19 0.03 -0.82 4.50 1.04 -1.26 0.17 113.70 114.16 1gjx s SER 67 Ca 0.18 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 1gjx s SER 67 Cb 0.02 0.21 -0.17 0.00 0.10 0.00 0.00 66.02 66.18 1gjx s SER 67 CO 0.01 -0.32 2.56 1.21 0.98 0.00 0.00 173.24 177.69 1gjx n GLU 68 N 1.69 0.37 -0.04 4.02 2.13 -1.26 -2.66 120.64 124.88 1gjx n GLU 68 Ca -0.21 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.57 1gjx n GLU 68 Cb 0.56 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gjx n GLY 69 N 6.29 0.83 0.93 8.31 0.00 -1.24 -4.89 105.19 115.43 1gjx n GLY 69 Ca 0.56 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.03 3.27 3.59 -0.02 0.00 -1.09 -4.89 105.19 106.02 1gjx n GLY 70 Ca 0.00 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.44 -2.80 0.00 0.99 7.94 -1.24 -4.90 117.00 116.55 1gjx n LEU 71 Ca 0.13 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.50 1gjx n LEU 71 Cb 0.87 -1.84 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1gjx n LEU 71 CO -0.04 -0.02 0.23 -0.38 -1.11 0.00 0.00 177.39 176.07 1gjx n ILE 72 N -1.56 0.00 -4.27 1.96 5.41 -0.47 -4.65 119.36 115.78 1gjx n ILE 72 Ca -0.19 0.85 -0.20 0.00 1.00 0.00 0.00 62.75 64.20 1gjx n ILE 72 Cb 0.67 -1.64 -0.13 0.00 -0.71 0.00 0.00 39.64 37.83 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 -1.28 1.27 -0.07 1.39 -7.23 -1.26 -0.07 120.40 113.15 1gjx s VAL 73 Ca 0.00 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1gjx s VAL 73 Cb 0.00 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1gjx s VAL 73 CO 0.00 -0.11 0.13 -0.69 -0.31 0.00 0.00 175.10 174.12 1gjx s VAL 74 N -1.11 5.23 0.14 1.32 1.01 -1.19 0.18 120.40 125.99 1gjx s VAL 74 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1gjx s VAL 74 Cb -0.09 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1gjx s VAL 74 CO 0.02 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 1gjx s VAL 75 N -1.11 1.71 -0.73 2.92 1.01 0.13 0.87 120.40 125.20 1gjx s VAL 75 Ca 0.19 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 1gjx s VAL 75 Cb -0.12 -1.70 0.40 0.00 0.00 0.00 0.00 36.38 34.96 1gjx s VAL 75 CO 0.09 -0.25 1.92 1.21 0.00 0.00 0.00 175.10 178.07 1gjx n GLU 76 N 0.59 2.83 -1.18 2.72 2.13 0.46 0.17 120.64 128.36 1gjx n GLU 76 Ca -0.16 -3.55 -0.38 0.00 0.66 0.00 0.00 57.16 53.73 1gjx n GLU 76 Cb 0.56 -2.28 0.02 0.00 0.27 0.00 0.00 31.44 30.01 1gjx n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gjx n ALA 77 N -0.68 -3.68 -4.05 4.31 0.00 -1.17 -2.27 120.51 112.98 1gjx n ALA 77 Ca 0.55 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1gjx n ALA 77 Cb 0.45 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 1.75 -3.38 -2.20 0.00 0.00 0.42 -4.34 120.64 112.88 1gjx n GLU 78 Ca 0.05 0.40 -0.43 0.00 0.00 0.00 0.00 57.16 57.19 1gjx n GLU 78 Cb 0.49 -4.77 -0.02 0.00 0.00 0.00 0.00 31.44 27.13 1gjx n GLU 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1gjx s GLY 79 N -3.94 1.18 0.72 8.31 0.00 -0.96 -4.94 107.32 107.69 1gjx s GLY 79 Ca 0.29 0.27 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 1gjx s GLY 79 CO 0.90 2.92 1.22 -0.51 0.00 0.00 0.00 173.10 177.63 1gjx s THR 80 N 5.29 2.26 0.00 0.90 -4.23 -1.26 -5.06 115.64 113.54 1gjx s THR 80 Ca 0.68 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1gjx s THR 80 Cb -0.21 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1gjx s THR 80 CO 0.29 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.31