#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 -1.56 -3.84 0.00 4.32 -1.00 -4.39 117.00 110.53 1gjx n LEU 2 Ca 0.00 -0.34 -0.09 0.00 -0.02 0.00 0.00 56.01 55.56 1gjx n LEU 2 Cb 0.00 -0.79 -0.06 0.00 -1.62 0.00 0.00 43.42 40.95 1gjx n LEU 2 CO 0.00 -3.21 -0.00 -0.69 -1.22 0.00 0.00 177.39 172.27 1gjx s VAL 3 N -2.10 0.10 -0.14 4.08 1.01 0.12 -4.84 120.40 118.64 1gjx s VAL 3 Ca 0.40 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1gjx s VAL 3 Cb -0.06 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1gjx s VAL 3 CO 0.40 -0.45 -0.00 -1.61 0.00 0.00 0.00 175.10 173.44 1gjx s GLU 4 N -3.88 0.86 0.74 2.72 2.02 -1.26 -0.68 118.70 119.21 1gjx s GLU 4 Ca 0.08 -0.25 -0.11 0.00 0.02 0.00 0.00 54.97 54.72 1gjx s GLU 4 Cb 0.03 -1.66 0.03 0.00 0.10 0.00 0.00 34.13 32.64 1gjx s GLU 4 CO -0.07 -0.45 1.07 -0.51 0.02 0.00 0.00 175.26 175.32 1gjx s LEU 5 N 1.84 3.00 -0.00 1.80 2.01 0.44 -4.93 118.68 122.84 1gjx s LEU 5 Ca 0.02 1.63 -0.11 0.00 0.01 0.00 0.00 54.13 55.67 1gjx s LEU 5 Cb -0.15 -4.41 0.01 0.00 0.01 0.00 0.00 46.19 41.66 1gjx s LEU 5 CO -0.07 -1.71 0.23 -0.54 1.01 0.00 0.00 176.35 175.27 1gjx s LYS 6 N -5.02 0.59 0.27 1.70 1.02 -1.26 -1.80 119.74 115.24 1gjx s LYS 6 Ca 0.59 -0.30 -0.28 0.00 0.02 0.00 0.00 55.97 56.01 1gjx s LYS 6 Cb -0.15 0.25 -0.15 0.00 -0.52 0.00 0.00 37.83 37.26 1gjx s LYS 6 CO 0.55 -0.15 0.79 0.28 -0.92 0.00 0.00 175.35 175.90 1gjx n VAL 7 N 1.33 1.98 -0.51 3.17 0.31 -1.23 -4.75 118.33 118.63 1gjx n VAL 7 Ca -0.22 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1gjx n VAL 7 Cb 0.56 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.81 0.16 -3.12 5.55 -0.04 -1.26 -3.38 135.00 133.72 1gjx n PRO 8 Ca 0.13 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.14 1gjx n PRO 8 Cb 0.30 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.74 1gjx n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1gjx s ASP 9 N -1.18 6.76 -1.14 3.54 2.15 -1.26 -4.51 116.67 121.03 1gjx s ASP 9 Ca 0.00 -2.47 -0.03 0.00 0.43 0.00 0.00 52.55 50.48 1gjx s ASP 9 Cb 0.00 -2.31 0.25 0.00 -0.30 0.00 0.00 42.92 40.56 1gjx s ASP 9 CO 0.00 -0.79 1.97 2.30 -0.17 0.00 0.00 175.17 178.47 1gjx n ILE 10 N 4.64 5.67 0.00 4.11 -6.64 -1.26 -4.57 119.36 121.30 1gjx n ILE 10 Ca 0.21 -5.38 0.00 0.00 -1.77 0.00 0.00 62.75 55.81 1gjx n ILE 10 Cb 0.47 -1.82 0.00 0.00 -1.44 0.00 0.00 39.64 36.85 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 0.81 0.54 0.00 3.28 0.00 -1.26 -4.44 105.19 104.13 1gjx n GLY 11 Ca 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.01 -0.02 0.00 -1.26 -5.14 105.19 100.77 1gjx n GLY 12 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.78 -3.36 1.61 -0.00 -1.26 -5.17 115.22 106.26 1gjx n HIS 13 Ca 0.00 -1.57 -0.12 0.00 -0.00 0.00 0.00 57.72 56.03 1gjx n HIS 13 Cb 0.00 0.26 0.02 0.00 -0.00 0.00 0.00 29.99 30.27 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 -0.37 0.92 -3.01 -1.40 4.71 -1.26 -4.37 120.64 115.85 1gjx n GLU 14 Ca 0.02 -1.75 -0.01 0.00 -0.01 0.00 0.00 57.16 55.41 1gjx n GLU 14 Cb 0.36 0.03 -0.01 0.00 -1.01 0.00 0.00 31.44 30.82 1gjx n GLU 14 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1gjx n ASN 15 N -2.28 -6.33 -3.61 1.62 6.94 -0.89 -4.94 115.26 105.77 1gjx n ASN 15 Ca 0.04 0.88 -0.18 0.00 -0.02 0.00 0.00 54.58 55.30 1gjx n ASN 15 Cb 0.33 -2.48 -0.15 0.00 -2.36 0.00 0.00 39.78 35.12 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 -0.61 -0.27 0.18 3.53 -7.23 0.47 -4.80 120.40 111.67 1gjx s VAL 16 Ca -0.04 0.15 -0.32 0.00 -1.81 0.00 0.00 61.98 59.96 1gjx s VAL 16 Cb 0.00 -0.45 -0.11 0.00 0.56 0.00 0.00 36.38 36.38 1gjx s VAL 16 CO 0.20 -0.01 1.77 -0.62 -0.31 0.00 0.00 175.10 176.13 1gjx s ASP 17 N 2.29 6.38 0.96 4.85 2.15 -1.21 0.11 116.67 132.21 1gjx s ASP 17 Ca 0.04 2.84 -0.11 0.00 0.43 0.00 0.00 52.55 55.75 1gjx s ASP 17 Cb -0.14 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.06 1gjx s ASP 17 CO -0.08 -0.99 1.09 -0.63 -0.17 0.00 0.00 175.17 174.39 1gjx s ILE 18 N 1.77 2.41 0.00 4.11 1.01 -0.84 -3.35 121.20 126.31 1gjx s ILE 18 Ca 0.77 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1gjx s ILE 18 Cb -0.49 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1gjx s ILE 18 CO 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.11 1gjx n ILE 19 N -4.19 0.00 -4.52 2.92 3.06 0.36 -4.53 119.36 112.46 1gjx n ILE 19 Ca 0.07 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 60.03 1gjx n ILE 19 Cb 0.54 -0.49 -0.13 0.00 0.54 0.00 0.00 39.64 40.11 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 -1.65 2.45 -0.08 1.51 0.00 -0.91 -4.83 121.76 118.24 1gjx s ALA 20 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1gjx s ALA 20 Cb 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1gjx s ALA 20 CO 0.00 0.56 -0.00 0.54 0.00 0.00 0.00 175.76 176.85 1gjx s VAL 21 N -1.01 0.45 -0.29 0.00 0.11 -1.26 -3.25 120.40 115.15 1gjx s VAL 21 Ca 0.15 0.03 0.20 0.00 -2.93 0.00 0.00 61.98 59.43 1gjx s VAL 21 Cb -0.10 -0.62 0.48 0.00 -1.53 0.00 0.00 36.38 34.61 1gjx s VAL 21 CO 0.06 0.23 1.25 -0.62 -3.33 0.00 0.00 175.10 172.69 1gjx n GLU 22 N 5.12 1.61 -3.80 1.54 1.02 0.39 -4.97 120.64 121.56 1gjx n GLU 22 Ca -0.08 -2.79 -0.25 0.00 -0.02 0.00 0.00 57.16 54.03 1gjx n GLU 22 Cb 0.50 -0.97 -0.17 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.57 0.58 -0.01 2.62 -7.23 -1.26 -4.84 120.40 107.70 1gjx s VAL 23 Ca 0.21 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1gjx s VAL 23 Cb 0.36 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.55 1gjx s VAL 23 CO -0.07 0.19 0.77 0.59 -0.31 0.00 0.00 175.10 176.27 1gjx n ASN 24 N 5.07 0.77 -1.98 4.85 3.02 -1.26 -4.98 115.26 120.75 1gjx n ASN 24 Ca -0.09 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1gjx n ASN 24 Cb 0.49 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1gjx n VAL 25 N -0.26-12.45 0.00 2.41 0.31 -1.26 -4.82 118.33 102.26 1gjx n VAL 25 Ca 0.01 3.04 0.00 0.00 -0.01 0.00 0.00 64.34 67.39 1gjx n VAL 25 Cb 0.47 -5.36 0.00 0.00 -0.91 0.00 0.00 33.84 28.04 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 1.70 2.31 3.76 2.92 0.00 -0.12 -4.94 105.19 110.81 1gjx n GLY 26 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gjx n GLY 26 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gjx s ASP 27 N -1.56 6.94 -0.61 1.61 -4.77 -1.26 -4.72 116.67 112.28 1gjx s ASP 27 Ca 0.00 2.53 -0.27 0.00 -3.30 0.00 0.00 52.55 51.51 1gjx s ASP 27 Cb 0.00 -2.64 0.01 0.00 -1.09 0.00 0.00 42.92 39.20 1gjx s ASP 27 CO 0.00 -0.41 1.54 -0.89 0.70 0.00 0.00 175.17 176.11 1gjx s THR 28 N -1.02 3.61 0.37 2.11 2.01 -1.26 -3.40 115.64 118.07 1gjx s THR 28 Ca 0.48 0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.82 1gjx s THR 28 Cb -0.37 -4.37 -0.07 0.00 0.01 0.00 0.00 72.50 67.71 1gjx s THR 28 CO 0.48 -1.23 0.73 0.27 -0.69 0.00 0.00 174.62 174.17 1gjx s ILE 29 N 7.01 4.81 0.21 1.82 -4.36 -0.40 -4.98 121.20 125.31 1gjx s ILE 29 Ca 0.54 0.58 0.01 0.00 -0.26 0.00 0.00 60.65 61.52 1gjx s ILE 29 Cb -0.11 -3.71 -0.00 0.00 1.25 0.00 0.00 42.46 39.89 1gjx s ILE 29 CO 0.21 -0.43 0.03 0.00 0.24 0.00 0.00 174.94 174.99 1gjx n ALA 30 N -1.07 0.22 -1.05 2.27 0.00 -1.17 -2.48 120.51 117.24 1gjx n ALA 30 Ca 0.02 -1.00 -0.19 0.00 0.00 0.00 0.00 53.44 52.26 1gjx n ALA 30 Cb 0.54 0.60 0.01 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.51 2.93 0.00 0.00 0.31 -1.09 -3.23 118.33 116.74 1gjx n VAL 31 Ca -0.07 -2.00 0.00 0.00 -0.01 0.00 0.00 64.34 62.26 1gjx n VAL 31 Cb 0.29 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 -3.54 4.52 5.68 -1.15 -4.82 116.55 117.71 1gjx n ASP 32 Ca 0.36 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.52 1gjx n ASP 32 Cb 0.58 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.41 -0.22 -1.12 -4.77 0.32 -4.93 116.67 106.36 1gjx s ASP 33 Ca 0.00 0.40 -0.34 0.00 -3.30 0.00 0.00 52.55 49.31 1gjx s ASP 33 Cb 0.00 0.88 -0.11 0.00 -1.09 0.00 0.00 42.92 42.60 1gjx s ASP 33 CO 0.00 -0.27 2.02 0.35 0.70 0.00 0.00 175.17 177.97 1gjx n THR 34 N 5.36 0.39 0.01 2.11 -2.24 -1.25 -2.00 114.28 116.65 1gjx n THR 34 Ca -0.06 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1gjx n THR 34 Cb 0.50 -1.82 -0.14 0.00 -2.10 0.00 0.00 70.33 66.76 1gjx n THR 34 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gjx h LEU 35 N 10.90 0.43 0.00 3.22 3.38 0.17 -3.46 115.31 129.95 1gjx h LEU 35 Ca -0.40 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 56.62 1gjx h LEU 35 Cb 1.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1gjx h LEU 35 CO 0.98 1.81 0.18 2.30 0.09 0.00 0.00 178.44 183.79 1gjx n ILE 36 N -3.60 0.00 -4.09 1.22 -6.64 -1.24 -0.46 119.36 104.55 1gjx n ILE 36 Ca -0.30 -0.75 -0.18 0.00 -1.77 0.00 0.00 62.75 59.76 1gjx n ILE 36 Cb 1.02 0.72 -0.16 0.00 -1.44 0.00 0.00 39.64 39.78 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 -2.38 0.37 0.13 7.28 2.01 -1.20 -1.58 115.64 120.27 1gjx s THR 37 Ca 0.12 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.12 1gjx s THR 37 Cb -0.03 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1gjx s THR 37 CO 0.09 0.16 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.25 1gjx s LEU 38 N 0.60 2.73 0.20 4.42 2.01 0.10 0.14 118.68 128.87 1gjx s LEU 38 Ca -0.07 -0.57 -0.22 0.00 0.01 0.00 0.00 54.13 53.28 1gjx s LEU 38 Cb -0.10 -1.55 0.05 0.00 0.01 0.00 0.00 46.19 44.60 1gjx s LEU 38 CO -0.00 0.17 0.64 -0.70 1.01 0.00 0.00 176.35 177.46 1gjx s GLU 39 N -2.23 1.44 0.00 1.70 2.12 -1.21 0.16 118.70 120.68 1gjx s GLU 39 Ca 0.19 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1gjx s GLU 39 Cb -0.10 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1gjx s GLU 39 CO 0.11 -0.64 0.00 -2.37 -0.54 0.00 0.00 175.26 171.82 1gjx n THR 40 N -0.40 0.00 0.00 -1.70 5.66 -1.02 -3.31 114.28 113.50 1gjx n THR 40 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1gjx n THR 40 Cb 0.63 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1gjx n THR 40 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1gjx n ASP 41 N -0.71 0.00 -2.45 1.09 5.75 -1.26 -4.93 116.55 114.04 1gjx n ASP 41 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1gjx n ASP 41 Cb 0.00 0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.15 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1gjx n LYS 42 N -1.85 2.64 -3.65 0.11 0.00 -1.26 -5.03 118.16 109.12 1gjx n LYS 42 Ca 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 58.31 54.42 1gjx n LYS 42 Cb 0.00 -1.92 -0.07 0.00 0.00 0.00 0.00 35.03 33.05 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 -3.60 -2.40 -0.13 3.14 0.00 -1.26 -4.88 121.76 112.62 1gjx s ALA 43 Ca 0.39 1.94 -0.00 0.00 0.00 0.00 0.00 51.96 54.29 1gjx s ALA 43 Cb 0.38 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.71 1gjx s ALA 43 CO -0.02 -0.26 -0.07 0.95 0.00 0.00 0.00 175.76 176.37 1gjx s THR 44 N 0.76 1.05 0.00 0.00 -4.23 -1.26 -2.44 115.64 109.52 1gjx s THR 44 Ca -0.03 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1gjx s THR 44 Cb -0.04 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1gjx s THR 44 CO -0.12 0.29 0.00 0.23 -0.54 0.00 0.00 174.62 174.48 1gjx n MET 45 N 4.92 2.27 -3.60 3.99 2.81 0.43 -4.96 117.12 122.99 1gjx n MET 45 Ca -0.12 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.78 1gjx n MET 45 Cb 0.49 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.00 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 -0.65 -0.05 -0.24 7.83 -4.77 -1.26 -0.73 116.67 116.81 1gjx s ASP 46 Ca 0.00 -0.06 0.02 0.00 -3.30 0.00 0.00 52.55 49.21 1gjx s ASP 46 Cb 0.00 0.10 0.05 0.00 -1.09 0.00 0.00 42.92 41.98 1gjx s ASP 46 CO 0.00 -0.17 -0.11 -0.69 0.70 0.00 0.00 175.17 174.90 1gjx s VAL 47 N -2.26 1.94 -0.25 2.11 1.01 -0.61 -4.76 120.40 117.57 1gjx s VAL 47 Ca 0.14 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.75 1gjx s VAL 47 Cb 0.04 -2.05 0.29 0.00 0.00 0.00 0.00 36.38 34.67 1gjx s VAL 47 CO -0.05 0.05 1.64 -0.81 0.00 0.00 0.00 175.10 175.93 1gjx n PRO 48 N 4.54 1.67 -1.32 2.72 -0.04 -1.26 0.19 135.00 141.50 1gjx n PRO 48 Ca -0.14 -1.50 0.15 0.00 -0.04 0.00 0.00 63.50 61.97 1gjx n PRO 48 Cb 0.44 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.08 -3.47 -2.69 0.55 0.00 -0.85 0.12 120.51 114.09 1gjx n ALA 49 Ca 0.29 0.73 -0.04 0.00 0.00 0.00 0.00 53.44 54.42 1gjx n ALA 49 Cb 0.90 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 19.08 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 -4.09 1.31 -3.60 0.00 2.13 -1.26 -4.15 120.64 110.98 1gjx n GLU 50 Ca -0.06 -1.72 -0.03 0.00 0.66 0.00 0.00 57.16 56.01 1gjx n GLU 50 Cb 0.62 0.02 -0.02 0.00 0.27 0.00 0.00 31.44 32.33 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1gjx s VAL 51 N -0.24 0.00 -0.55 6.31 -7.23 -1.20 -4.95 120.40 112.53 1gjx s VAL 51 Ca 0.17 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.27 1gjx s VAL 51 Cb 0.42 -1.34 0.14 0.00 0.56 0.00 0.00 36.38 36.16 1gjx s VAL 51 CO -0.10 0.00 0.31 0.00 -0.31 0.00 0.00 175.10 175.00 1gjx s ALA 52 N -2.59 3.34 0.00 1.32 0.00 -1.26 -2.68 121.76 119.88 1gjx s ALA 52 Ca 0.10 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 48.71 1gjx s ALA 52 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1gjx s ALA 52 CO -0.05 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.09 1gjx n GLY 53 N 2.89 3.40 3.03 0.00 0.00 -1.03 0.20 105.19 113.67 1gjx n GLY 53 Ca 0.08 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 0.14 0.90 0.37 1.61 1.01 -1.26 -1.27 120.40 121.89 1gjx s VAL 54 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1gjx s VAL 54 Cb 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1gjx s VAL 54 CO 0.00 0.27 1.12 -0.69 0.00 0.00 0.00 175.10 175.80 1gjx s VAL 55 N 0.08 3.40 -0.10 2.92 1.01 -1.22 0.76 120.40 127.25 1gjx s VAL 55 Ca -0.02 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1gjx s VAL 55 Cb -0.08 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1gjx s VAL 55 CO 0.01 0.14 -0.12 0.29 0.00 0.00 0.00 175.10 175.41 1gjx n LYS 56 N 0.34 0.23 -4.03 2.72 4.76 0.40 -0.95 118.16 121.62 1gjx n LYS 56 Ca 0.03 0.09 -0.25 0.00 -2.87 0.00 0.00 58.31 55.30 1gjx n LYS 56 Cb 0.47 -0.95 -0.05 0.00 -1.84 0.00 0.00 35.03 32.67 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 -2.19 2.28 -0.30 1.97 0.41 -1.20 -4.80 118.70 114.87 1gjx s GLU 57 Ca -0.14 -1.90 -0.12 0.00 -0.41 0.00 0.00 54.97 52.39 1gjx s GLU 57 Cb 0.05 -2.03 0.14 0.00 -1.78 0.00 0.00 34.13 30.50 1gjx s GLU 57 CO 0.19 -0.30 0.76 0.54 -0.49 0.00 0.00 175.26 175.96 1gjx s VAL 58 N -2.66 -0.78 -0.47 2.63 0.11 -1.23 -3.29 120.40 114.72 1gjx s VAL 58 Ca 0.37 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 1gjx s VAL 58 Cb 0.01 -1.00 0.31 0.00 -1.53 0.00 0.00 36.38 34.16 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 5.21 1.70 -3.60 1.54 5.02 0.44 -4.95 118.16 123.52 1gjx n LYS 59 Ca -0.12 -3.90 -0.07 0.00 -2.02 0.00 0.00 58.31 52.20 1gjx n LYS 59 Cb 0.51 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.61 0.00 0.03 -0.18 0.11 -1.26 -4.58 120.40 111.91 1gjx s VAL 60 Ca 0.41 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.18 1gjx s VAL 60 Cb 0.26 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 34.20 1gjx s VAL 60 CO -0.09 0.00 1.22 -1.59 -3.33 0.00 0.00 175.10 171.31 1gjx s LYS 61 N -1.37 0.62 -1.43 1.54 0.00 -1.26 -4.91 119.74 112.93 1gjx s LYS 61 Ca 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 55.97 55.49 1gjx s LYS 61 Cb -0.01 0.19 0.01 0.00 0.00 0.00 0.00 37.83 38.01 1gjx s LYS 61 CO -0.03 -0.29 2.32 0.28 0.00 0.00 0.00 175.35 177.63 1gjx n VAL 62 N -0.69 3.45 0.00 1.79 0.31 -1.26 -3.96 118.33 117.97 1gjx n VAL 62 Ca -0.02 -2.82 0.00 0.00 -0.01 0.00 0.00 64.34 61.48 1gjx n VAL 62 Cb 0.60 -2.58 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 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 4.05 -1.02 3.65 2.92 0.00 -1.26 -5.05 105.19 108.47 1gjx n GLY 63 Ca 0.56 0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.31 -0.19 1.61 -4.77 -1.25 -5.03 116.67 106.74 1gjx s ASP 64 Ca 0.00 0.51 -0.29 0.00 -3.30 0.00 0.00 52.55 49.47 1gjx s ASP 64 Cb 0.00 0.96 -0.01 0.00 -1.09 0.00 0.00 42.92 42.78 1gjx s ASP 64 CO 0.00 -0.08 1.22 -0.54 0.70 0.00 0.00 175.17 176.46 1gjx s LYS 65 N 0.91 4.22 0.46 2.11 1.02 -1.26 -1.98 119.74 125.23 1gjx s LYS 65 Ca -0.05 1.58 0.08 0.00 0.02 0.00 0.00 55.97 57.60 1gjx s LYS 65 Cb -0.04 -3.74 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1gjx s LYS 65 CO -0.12 -0.71 0.50 -1.50 -0.92 0.00 0.00 175.35 172.59 1gjx s ILE 66 N 3.48 2.50 -0.06 2.17 1.10 0.31 -4.48 121.20 126.21 1gjx s ILE 66 Ca 0.53 -1.23 -0.05 0.00 -0.51 0.00 0.00 60.65 59.39 1gjx s ILE 66 Cb -0.20 -2.73 0.02 0.00 0.15 0.00 0.00 42.46 39.70 1gjx s ILE 66 CO 0.13 0.00 0.15 -0.44 -2.11 0.00 0.00 174.94 172.67 1gjx s SER 67 N -4.29 -0.15 0.02 4.50 0.01 -1.26 0.18 113.70 112.70 1gjx s SER 67 Ca 0.50 0.31 -0.39 0.00 1.31 0.00 0.00 55.95 57.68 1gjx s SER 67 Cb -0.05 0.29 -0.20 0.00 0.21 0.00 0.00 66.02 66.27 1gjx s SER 67 CO 0.30 -0.08 1.06 -0.62 0.41 0.00 0.00 173.24 174.31 1gjx n GLU 68 N 3.28 0.07 -2.19 12.44 1.02 -1.26 -2.93 120.64 131.08 1gjx n GLU 68 Ca -0.16 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1gjx n GLU 68 Cb 0.57 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.58 -0.05 2.93 0.62 0.00 -1.22 -4.87 105.19 104.19 1gjx n GLY 69 Ca 0.20 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1gjx n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gjx s GLY 70 N -3.03 0.58 -0.78 -0.02 0.00 -1.15 -4.86 107.32 98.08 1gjx s GLY 70 Ca 0.15 -0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.44 1gjx s GLY 70 CO 0.30 0.36 2.41 -0.10 0.00 0.00 0.00 173.10 176.07 1gjx n LEU 71 N 4.04 1.09 0.00 0.66 7.94 -1.26 -3.55 117.00 125.92 1gjx n LEU 71 Ca -0.23 -0.77 0.00 0.00 -1.11 0.00 0.00 56.01 53.89 1gjx n LEU 71 Cb 0.51 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1gjx n LEU 71 CO 0.23 -1.81 0.00 -0.38 -1.11 0.00 0.00 177.39 174.32 1gjx n ILE 72 N 7.74 0.00 -4.80 1.96 5.41 -0.75 -4.48 119.36 124.45 1gjx n ILE 72 Ca 0.51 0.06 -0.25 0.00 1.00 0.00 0.00 62.75 64.07 1gjx n ILE 72 Cb 0.35 -0.73 -0.16 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.12 1.35 -0.11 1.39 -7.23 -1.26 0.17 120.40 114.60 1gjx s VAL 73 Ca 0.00 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1gjx s VAL 73 Cb 0.00 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1gjx s VAL 73 CO 0.00 0.39 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.45 1gjx s VAL 74 N -0.16 3.97 0.31 1.32 1.01 -1.21 0.17 120.40 125.81 1gjx s VAL 74 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1gjx s VAL 74 Cb -0.09 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1gjx s VAL 74 CO 0.01 0.56 -0.00 0.68 0.00 0.00 0.00 175.10 176.35 1gjx s VAL 75 N -0.41 1.49 0.14 2.92 -7.23 0.14 0.15 120.40 117.61 1gjx s VAL 75 Ca 0.07 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.09 1gjx s VAL 75 Cb -0.12 -2.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1gjx s VAL 75 CO 0.02 -0.14 1.42 -0.08 -0.31 0.00 0.00 175.10 176.01 1gjx h GLU 76 N 2.15 0.78 -4.16 4.82 4.81 0.04 0.35 114.58 123.38 1gjx h GLU 76 Ca -0.41 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.31 1gjx h GLU 76 Cb 1.24 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1gjx h GLU 76 CO 0.70 1.14 -0.82 0.00 -0.73 0.00 0.00 179.01 179.30 1gjx n ALA 77 N -2.56 -1.82 -4.31 2.92 0.00 -1.26 -2.37 120.51 111.12 1gjx n ALA 77 Ca -0.04 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1gjx n ALA 77 Cb 0.64 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 1.34 -1.73 -1.99 0.00 0.28 0.53 -4.36 120.64 114.71 1gjx n GLU 78 Ca 0.00 0.22 -0.41 0.00 -0.16 0.00 0.00 57.16 56.81 1gjx n GLU 78 Cb 0.00 -4.40 -0.03 0.00 1.43 0.00 0.00 31.44 28.44 1gjx n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1gjx s GLY 79 N -3.81 0.48 0.00 -1.84 0.00 -1.13 -4.79 107.32 96.22 1gjx s GLY 79 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1gjx s GLY 79 CO 0.98 3.38 0.00 -1.30 0.00 0.00 0.00 173.10 176.15 1gjx n THR 80 N 7.37 0.00 -0.60 0.90 -2.24 -1.26 -5.03 114.28 113.42 1gjx n THR 80 Ca 0.23 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1gjx n THR 80 Cb 0.49 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50