#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 2.25 0.09 0.00 1.02 -1.11 -4.11 118.68 116.82 1gjx s LEU 2 Ca 0.00 0.70 0.01 0.00 0.02 0.00 0.00 54.13 54.86 1gjx s LEU 2 Cb 0.00 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.21 1gjx s LEU 2 CO 0.00 -2.51 -0.06 -0.69 0.02 0.00 0.00 176.35 173.11 1gjx s VAL 3 N -3.51 0.63 -0.21 -1.59 1.01 0.42 -4.88 120.40 112.26 1gjx s VAL 3 Ca 0.66 -1.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 1gjx s VAL 3 Cb -0.10 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1gjx s VAL 3 CO 0.52 -0.85 0.05 -1.83 0.00 0.00 0.00 175.10 172.98 1gjx s GLU 4 N -3.69 0.63 0.90 2.72 -1.05 -1.26 0.42 118.70 117.37 1gjx s GLU 4 Ca 0.10 -0.48 -0.10 0.00 -0.15 0.00 0.00 54.97 54.33 1gjx s GLU 4 Cb 0.05 -2.06 0.13 0.00 -0.44 0.00 0.00 34.13 31.81 1gjx s GLU 4 CO -0.05 -0.69 1.12 -1.17 0.95 0.00 0.00 175.26 175.42 1gjx s LEU 5 N 1.85 2.69 -0.09 1.83 2.96 0.46 -4.92 118.68 123.46 1gjx s LEU 5 Ca 0.01 2.00 -0.08 0.00 -0.22 0.00 0.00 54.13 55.84 1gjx s LEU 5 Cb -0.17 -4.42 0.02 0.00 0.50 0.00 0.00 46.19 42.12 1gjx s LEU 5 CO -0.11 -2.91 0.23 -0.54 -1.32 0.00 0.00 176.35 171.71 1gjx s LYS 6 N -4.72 0.27 0.26 1.98 3.01 -1.26 -2.36 119.74 116.91 1gjx s LYS 6 Ca 0.65 0.33 -0.27 0.00 -1.01 0.00 0.00 55.97 55.68 1gjx s LYS 6 Cb -0.21 0.12 -0.16 0.00 -1.01 0.00 0.00 37.83 36.57 1gjx s LYS 6 CO 0.58 -0.04 0.55 0.28 0.51 0.00 0.00 175.35 177.23 1gjx n VAL 7 N 3.02 1.82 -0.72 3.17 0.31 -1.26 -4.67 118.33 119.99 1gjx n VAL 7 Ca -0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1gjx n VAL 7 Cb 0.58 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.96 -0.37 -2.71 5.55 -0.04 -1.26 -3.84 135.00 133.30 1gjx n PRO 8 Ca 0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 1gjx n PRO 8 Cb 0.29 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.72 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 -1.23 6.38 -1.07 3.54 -1.08 -1.26 -4.59 116.67 117.35 1gjx s ASP 9 Ca 0.00 -1.25 -0.03 0.00 -0.52 0.00 0.00 52.55 50.76 1gjx s ASP 9 Cb 0.00 -2.50 0.30 0.00 -1.46 0.00 0.00 42.92 39.26 1gjx s ASP 9 CO 0.00 -1.47 1.74 2.30 0.52 0.00 0.00 175.17 178.26 1gjx n ILE 10 N 6.24 5.75 0.00 4.11 -6.64 -1.26 -4.47 119.36 123.09 1gjx n ILE 10 Ca 0.16 -5.83 0.00 0.00 -1.77 0.00 0.00 62.75 55.31 1gjx n ILE 10 Cb 0.49 -1.79 0.00 0.00 -1.44 0.00 0.00 39.64 36.90 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 1.46 0.00 3.28 0.00 -1.26 -4.12 105.19 105.17 1gjx n GLY 11 Ca 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.19 -0.02 0.00 -1.26 -5.15 105.19 101.95 1gjx n GLY 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1gjx n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1gjx s HIS 13 N 0.00 0.19 0.61 1.61 0.00 -1.26 -5.18 115.29 111.27 1gjx s HIS 13 Ca 0.00 -0.63 -0.04 0.00 -3.00 0.00 0.00 55.06 51.39 1gjx s HIS 13 Cb 0.00 -0.10 0.13 0.00 -4.00 0.00 0.00 32.58 28.61 1gjx s HIS 13 CO 0.00 -0.52 0.84 -0.85 -1.00 0.00 0.00 174.74 173.20 1gjx n GLU 14 N -0.02 -0.28 -2.99 -0.38 0.28 -1.26 -4.69 120.64 111.30 1gjx n GLU 14 Ca -0.15 -1.88 -0.01 0.00 -0.16 0.00 0.00 57.16 54.96 1gjx n GLU 14 Cb 0.62 -0.68 -0.01 0.00 1.43 0.00 0.00 31.44 32.81 1gjx n GLU 14 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1gjx n ASN 15 N -3.17 -6.22 -4.20 -1.84 6.94 -0.45 -4.95 115.26 101.37 1gjx n ASN 15 Ca 0.12 0.90 -0.12 0.00 -0.02 0.00 0.00 54.58 55.46 1gjx n ASN 15 Cb 0.44 -2.69 -0.10 0.00 -2.36 0.00 0.00 39.78 35.07 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 -0.70 0.31 -0.15 3.53 -7.23 0.45 -4.81 120.40 111.80 1gjx s VAL 16 Ca -0.04 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1gjx s VAL 16 Cb 0.00 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1gjx s VAL 16 CO 0.24 -0.34 0.22 -1.81 -0.31 0.00 0.00 175.10 173.10 1gjx s ASP 17 N -3.13 6.39 0.77 4.85 1.01 -1.19 0.15 116.67 125.52 1gjx s ASP 17 Ca 0.28 0.46 -0.11 0.00 0.71 0.00 0.00 52.55 53.88 1gjx s ASP 17 Cb 0.07 -2.14 0.05 0.00 1.01 0.00 0.00 42.92 41.91 1gjx s ASP 17 CO 0.05 0.21 1.08 -0.63 0.21 0.00 0.00 175.17 176.10 1gjx s ILE 18 N -0.03 3.38 0.00 0.77 1.01 -1.16 -3.07 121.20 122.11 1gjx s ILE 18 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1gjx s ILE 18 Cb -0.13 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1gjx s ILE 18 CO 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 174.94 174.41 1gjx n ILE 19 N -3.34 0.00 -3.72 2.92 3.06 0.42 -3.98 119.36 114.71 1gjx n ILE 19 Ca 0.07 -0.22 -0.14 0.00 -2.50 0.00 0.00 62.75 59.96 1gjx n ILE 19 Cb 0.55 1.07 -0.08 0.00 0.54 0.00 0.00 39.64 41.72 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 -0.39 -0.92 -0.07 1.51 0.00 -0.95 -4.76 121.76 116.19 1gjx s ALA 20 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1gjx s ALA 20 Cb 0.00 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1gjx s ALA 20 CO 0.00 -0.28 0.12 0.08 0.00 0.00 0.00 175.76 175.68 1gjx s VAL 21 N -1.35 -0.19 -0.40 0.00 1.01 -1.26 -3.45 120.40 114.75 1gjx s VAL 21 Ca -0.13 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1gjx s VAL 21 Cb -0.04 -0.23 0.35 0.00 0.00 0.00 0.00 36.38 36.45 1gjx s VAL 21 CO 0.05 0.16 0.87 -0.62 0.00 0.00 0.00 175.10 175.55 1gjx n GLU 22 N 5.27 0.99 -3.65 2.72 -0.58 -0.35 -4.99 120.64 120.06 1gjx n GLU 22 Ca -0.05 -2.91 -0.22 0.00 -0.42 0.00 0.00 57.16 53.56 1gjx n GLU 22 Cb 0.50 -1.46 -0.18 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.59 -0.10 -1.66 2.62 -7.23 -1.26 -4.80 120.40 106.38 1gjx s VAL 23 Ca 0.34 0.19 0.15 0.00 -1.81 0.00 0.00 61.98 60.84 1gjx s VAL 23 Cb 0.34 -0.32 0.49 0.00 0.56 0.00 0.00 36.38 37.44 1gjx s VAL 23 CO -0.07 -0.01 1.38 -3.20 -0.31 0.00 0.00 175.10 172.90 1gjx n ASN 24 N 5.29 3.14 -3.86 4.85 5.15 -1.26 -4.96 115.26 123.61 1gjx n ASN 24 Ca -0.05 -2.15 -0.35 0.00 -0.60 0.00 0.00 54.58 51.44 1gjx n ASN 24 Cb 0.50 -0.41 0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1gjx n ASN 24 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1gjx n VAL 25 N 0.90 -3.86 0.00 3.44 3.14 -1.26 -4.68 118.33 116.00 1gjx n VAL 25 Ca 0.18 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1gjx n VAL 25 Cb 0.55 -3.11 0.00 0.00 -1.06 0.00 0.00 33.84 30.22 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gjx n GLY 26 N -1.86 0.00 3.30 7.55 0.00 -0.92 -4.73 105.19 108.53 1gjx n GLY 26 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.23 0.08 1.61 -1.08 -1.26 -4.90 116.67 112.34 1gjx s ASP 27 Ca 0.00 -1.51 -0.30 0.00 -0.52 0.00 0.00 52.55 50.22 1gjx s ASP 27 Cb 0.00 0.36 -0.05 0.00 -1.46 0.00 0.00 42.92 41.77 1gjx s ASP 27 CO 0.00 -0.87 1.00 -0.89 0.52 0.00 0.00 175.17 174.93 1gjx s THR 28 N -3.72 4.53 0.09 1.71 2.01 -1.26 -2.62 115.64 116.37 1gjx s THR 28 Ca 0.37 1.98 0.07 0.00 0.31 0.00 0.00 61.69 64.42 1gjx s THR 28 Cb 0.06 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1gjx s THR 28 CO 0.17 0.25 -0.18 0.27 -0.69 0.00 0.00 174.62 174.44 1gjx s ILE 29 N 0.38 1.46 0.49 1.82 -4.36 0.17 -4.99 121.20 116.18 1gjx s ILE 29 Ca 0.50 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 59.44 1gjx s ILE 29 Cb -0.24 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.09 1gjx s ILE 29 CO 0.30 -0.15 0.03 0.00 0.24 0.00 0.00 174.94 175.36 1gjx s ALA 30 N -1.27 3.90 -0.32 2.27 0.00 -1.26 -2.24 121.76 122.84 1gjx s ALA 30 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1gjx s ALA 30 Cb -0.10 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1gjx s ALA 30 CO 0.03 -0.09 2.77 0.28 0.00 0.00 0.00 175.76 178.75 1gjx n VAL 31 N -1.20 3.10 0.00 0.00 0.31 0.22 -3.50 118.33 117.26 1gjx n VAL 31 Ca -0.17 -2.35 0.00 0.00 -0.01 0.00 0.00 64.34 61.81 1gjx n VAL 31 Cb 0.66 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 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 1.12 0.00 -3.32 4.52 5.68 -0.50 -4.83 116.55 119.22 1gjx n ASP 32 Ca 0.42 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.61 1gjx n ASP 32 Cb 0.63 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.54 -0.44 -1.12 -4.77 0.45 -4.96 116.67 106.37 1gjx s ASP 33 Ca 0.00 -0.41 -0.43 0.00 -3.30 0.00 0.00 52.55 48.41 1gjx s ASP 33 Cb 0.00 1.03 -0.18 0.00 -1.09 0.00 0.00 42.92 42.68 1gjx s ASP 33 CO 0.00 -0.36 1.89 0.35 0.70 0.00 0.00 175.17 177.76 1gjx n THR 34 N 5.35 0.08 -0.09 2.11 -2.24 -1.25 -3.11 114.28 115.13 1gjx n THR 34 Ca 0.00 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.54 1gjx n THR 34 Cb 0.49 -0.79 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 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 7.79 0.00 0.00 3.22 3.38 0.14 -3.46 115.31 126.38 1gjx h LEU 35 Ca -0.30 -0.63 -0.23 0.00 0.09 0.00 0.00 57.88 56.80 1gjx h LEU 35 Cb 1.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 1gjx h LEU 35 CO 1.02 1.35 -0.10 2.30 0.09 0.00 0.00 178.44 183.09 1gjx n ILE 36 N -4.48 0.00 -4.36 1.22 -6.64 -1.23 -1.21 119.36 102.65 1gjx n ILE 36 Ca -0.26 -1.54 -0.22 0.00 -1.77 0.00 0.00 62.75 58.97 1gjx n ILE 36 Cb 0.62 0.97 -0.16 0.00 -1.44 0.00 0.00 39.64 39.63 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 -2.73 0.79 0.34 7.28 2.01 -1.22 -1.42 115.64 120.69 1gjx s THR 37 Ca 0.25 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1gjx s THR 37 Cb -0.01 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1gjx s THR 37 CO 0.18 0.28 0.02 -0.76 -0.69 0.00 0.00 174.62 173.64 1gjx s LEU 38 N 0.71 2.98 -0.17 4.42 2.01 0.14 0.16 118.68 128.94 1gjx s LEU 38 Ca -0.12 -1.00 -0.35 0.00 0.01 0.00 0.00 54.13 52.67 1gjx s LEU 38 Cb -0.14 -1.35 0.15 0.00 0.01 0.00 0.00 46.19 44.86 1gjx s LEU 38 CO 0.02 -0.25 1.36 -0.70 1.01 0.00 0.00 176.35 177.78 1gjx s GLU 39 N -3.72 0.14 0.10 1.70 2.12 -1.17 0.16 118.70 118.02 1gjx s GLU 39 Ca 0.35 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1gjx s GLU 39 Cb 0.00 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1gjx s GLU 39 CO 0.19 -0.06 0.00 0.25 -0.54 0.00 0.00 175.26 175.10 1gjx n THR 40 N -0.26 1.07 0.00 -1.70 -2.24 -0.92 -3.16 114.28 107.07 1gjx n THR 40 Ca -0.02 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1gjx n THR 40 Cb 0.60 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.06 3.42 -0.08 -1.26 -4.87 116.55 110.24 1gjx n ASP 41 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1gjx n ASP 41 Cb 0.03 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.43 1gjx n ASP 41 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1gjx n LYS 42 N -0.76 0.96 -4.84 -0.67 4.76 -1.26 -5.01 118.16 111.34 1gjx n LYS 42 Ca 0.00 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 1gjx n LYS 42 Cb 0.00 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 31.79 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gjx s ALA 43 N -2.26 2.64 -0.07 7.82 0.00 -1.26 -5.12 121.76 123.50 1gjx s ALA 43 Ca -0.14 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1gjx s ALA 43 Cb 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1gjx s ALA 43 CO 0.35 0.56 -0.15 0.95 0.00 0.00 0.00 175.76 177.47 1gjx s THR 44 N -0.78 1.33 0.00 0.00 -4.23 -1.26 -2.17 115.64 108.52 1gjx s THR 44 Ca 0.12 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1gjx s THR 44 Cb -0.11 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1gjx s THR 44 CO 0.02 0.40 0.00 0.23 -0.54 0.00 0.00 174.62 174.73 1gjx n MET 45 N 3.74 2.95 -3.69 3.99 2.81 0.42 -4.93 117.12 122.42 1gjx n MET 45 Ca -0.22 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.71 1gjx n MET 45 Cb 0.52 0.00 0.00 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 -0.06 -0.00 -0.20 7.83 -4.77 -1.26 0.28 116.67 118.49 1gjx s ASP 46 Ca 0.00 -0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.25 1gjx s ASP 46 Cb 0.00 0.01 0.03 0.00 -1.09 0.00 0.00 42.92 41.88 1gjx s ASP 46 CO 0.00 -0.02 -0.16 -0.69 0.70 0.00 0.00 175.17 175.00 1gjx s VAL 47 N -2.02 1.97 -0.93 2.11 1.01 -0.51 -4.67 120.40 117.36 1gjx s VAL 47 Ca 0.20 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1gjx s VAL 47 Cb 0.06 -1.90 0.27 0.00 0.00 0.00 0.00 36.38 34.81 1gjx s VAL 47 CO -0.06 0.34 0.96 -0.81 0.00 0.00 0.00 175.10 175.53 1gjx n PRO 48 N 4.60 2.20 -2.45 2.72 -0.04 -1.26 0.17 135.00 140.95 1gjx n PRO 48 Ca -0.18 -1.03 -0.02 0.00 -0.04 0.00 0.00 63.50 62.23 1gjx n PRO 48 Cb 0.48 -1.68 -0.02 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 0.21 -2.35 -3.25 0.55 0.00 -1.18 0.17 120.51 114.66 1gjx n ALA 49 Ca 0.09 1.03 -0.35 0.00 0.00 0.00 0.00 53.44 54.21 1gjx n ALA 49 Cb 0.52 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1gjx n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gjx n GLU 50 N 1.89 3.41 -1.63 0.00 -0.58 -1.26 -1.41 120.64 121.05 1gjx n GLU 50 Ca -0.14 -4.61 -0.02 0.00 -0.42 0.00 0.00 57.16 51.97 1gjx n GLU 50 Cb 0.21 -2.38 0.01 0.00 -0.57 0.00 0.00 31.44 28.71 1gjx n GLU 50 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1gjx n VAL 51 N 1.14 0.00 -2.73 2.62 0.24 -1.23 -4.97 118.33 113.40 1gjx n VAL 51 Ca 0.28 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 62.28 1gjx n VAL 51 Cb 0.37 0.22 0.08 0.00 -1.47 0.00 0.00 33.84 33.04 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 -2.46 -1.11 -2.01 2.33 0.00 -1.26 0.71 120.51 116.72 1gjx n ALA 52 Ca -0.04 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1gjx n ALA 52 Cb 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.85 2.63 2.85 0.00 0.00 -0.95 0.18 105.19 110.75 1gjx n GLY 53 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 1.61 -0.01 0.38 1.61 1.01 -1.26 -0.65 120.40 123.08 1gjx s VAL 54 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1gjx s VAL 54 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 36.38 36.26 1gjx s VAL 54 CO 0.00 0.02 1.06 -0.69 0.00 0.00 0.00 175.10 175.49 1gjx s VAL 55 N 0.20 3.68 -0.06 2.92 1.01 -1.08 0.12 120.40 127.19 1gjx s VAL 55 Ca -0.02 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 1gjx s VAL 55 Cb -0.02 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1gjx s VAL 55 CO -0.01 0.07 -0.06 0.29 0.00 0.00 0.00 175.10 175.39 1gjx n LYS 56 N 0.13 0.14 -4.28 2.72 4.76 0.36 -2.17 118.16 119.82 1gjx n LYS 56 Ca 0.04 0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 1gjx n LYS 56 Cb 0.49 -0.95 -0.06 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 -2.11 2.20 -0.29 1.97 2.02 -1.17 -4.74 118.70 116.57 1gjx s GLU 57 Ca -0.08 -2.06 -0.12 0.00 0.02 0.00 0.00 54.97 52.73 1gjx s GLU 57 Cb 0.03 -1.86 0.12 0.00 0.10 0.00 0.00 34.13 32.51 1gjx s GLU 57 CO 0.12 -0.29 0.69 0.54 0.02 0.00 0.00 175.26 176.34 1gjx s VAL 58 N -2.72 -0.69 -0.48 2.63 0.11 -1.25 -3.36 120.40 114.64 1gjx s VAL 58 Ca 0.30 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1gjx s VAL 58 Cb 0.02 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 34.09 1gjx s VAL 58 CO 0.17 0.00 0.49 0.29 -3.33 0.00 0.00 175.10 172.72 1gjx n LYS 59 N 5.09 0.98 -3.61 1.54 5.02 0.29 -4.95 118.16 122.52 1gjx n LYS 59 Ca -0.14 -3.60 -0.06 0.00 -2.02 0.00 0.00 58.31 52.48 1gjx n LYS 59 Cb 0.52 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.02 0.00 0.00 -0.18 0.11 -1.26 -4.38 120.40 113.66 1gjx s VAL 60 Ca 0.34 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1gjx s VAL 60 Cb 0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1gjx s VAL 60 CO -0.13 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 171.93 1gjx n LYS 61 N 0.81 0.00 -3.53 1.54 5.02 -1.26 -5.06 118.16 115.68 1gjx n LYS 61 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1gjx n LYS 61 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 1gjx n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gjx s VAL 62 N -1.89 4.74 0.00 -0.18 1.01 -1.26 -4.38 120.40 118.43 1gjx s VAL 62 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 61.98 58.87 1gjx s VAL 62 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1gjx s VAL 62 CO 0.00 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.69 1gjx n GLY 63 N 3.23 1.86 4.01 4.51 0.00 -1.26 -5.02 105.19 112.53 1gjx n GLY 63 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 5.54 -0.22 1.61 -4.77 -1.26 -4.87 116.67 110.70 1gjx s ASP 64 Ca 0.00 -0.50 -0.17 0.00 -3.30 0.00 0.00 52.55 48.58 1gjx s ASP 64 Cb 0.00 -0.47 -0.03 0.00 -1.09 0.00 0.00 42.92 41.32 1gjx s ASP 64 CO 0.00 -0.89 0.47 -0.54 0.70 0.00 0.00 175.17 174.91 1gjx s LYS 65 N -4.42 4.15 0.35 2.11 3.01 -1.25 -2.97 119.74 120.71 1gjx s LYS 65 Ca 0.56 0.30 0.07 0.00 -1.01 0.00 0.00 55.97 55.90 1gjx s LYS 65 Cb -0.09 -3.58 -0.07 0.00 -1.01 0.00 0.00 37.83 33.08 1gjx s LYS 65 CO 0.34 -0.17 -0.03 -1.50 0.51 0.00 0.00 175.35 174.50 1gjx s ILE 66 N 1.70 1.88 -0.14 2.17 1.10 0.40 -4.77 121.20 123.55 1gjx s ILE 66 Ca 0.21 -2.10 -0.14 0.00 -0.51 0.00 0.00 60.65 58.11 1gjx s ILE 66 Cb -0.15 -2.73 0.04 0.00 0.15 0.00 0.00 42.46 39.76 1gjx s ILE 66 CO 0.09 -0.13 0.40 -0.94 -2.11 0.00 0.00 174.94 172.25 1gjx s SER 67 N -3.58 -0.41 -0.95 4.50 1.04 -1.26 0.17 113.70 113.21 1gjx s SER 67 Ca 0.33 0.75 -0.21 0.00 0.48 0.00 0.00 55.95 57.30 1gjx s SER 67 Cb 0.06 0.77 -0.25 0.00 0.10 0.00 0.00 66.02 66.70 1gjx s SER 67 CO 0.16 -0.18 2.43 -0.62 0.98 0.00 0.00 173.24 176.01 1gjx n GLU 68 N 2.67 0.12 0.00 4.02 1.02 -1.26 -2.04 120.64 125.17 1gjx n GLU 68 Ca -0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1gjx n GLU 68 Cb 0.57 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 6.07 0.89 0.88 0.62 0.00 -1.25 -4.85 105.19 107.55 1gjx n GLY 69 Ca 0.63 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 4.08 3.88 -0.02 0.00 -0.87 -4.88 105.19 107.39 1gjx n GLY 70 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.55 -2.49 0.00 0.99 7.94 -1.23 -4.92 117.00 116.74 1gjx n LEU 71 Ca 0.21 -0.95 0.00 0.00 -1.11 0.00 0.00 56.01 54.16 1gjx n LEU 71 Cb 0.89 -2.35 0.00 0.00 0.53 0.00 0.00 43.42 42.49 1gjx n LEU 71 CO 0.15 0.43 0.11 -0.38 -1.11 0.00 0.00 177.39 176.58 1gjx n ILE 72 N -4.36 0.00 -5.01 1.96 5.41 -1.00 -4.41 119.36 111.96 1gjx n ILE 72 Ca -0.31 0.71 -0.32 0.00 1.00 0.00 0.00 62.75 63.84 1gjx n ILE 72 Cb 0.69 -1.41 -0.14 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.43 2.59 -0.12 1.39 -7.23 -1.26 0.10 120.40 115.44 1gjx s VAL 73 Ca 0.00 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1gjx s VAL 73 Cb 0.00 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1gjx s VAL 73 CO 0.00 0.53 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.51 1gjx s VAL 74 N -0.72 3.14 0.39 1.32 1.01 -1.21 0.17 120.40 124.49 1gjx s VAL 74 Ca 0.11 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1gjx s VAL 74 Cb -0.10 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 1gjx s VAL 74 CO 0.01 0.53 0.02 0.68 0.00 0.00 0.00 175.10 176.34 1gjx s VAL 75 N 0.19 1.81 0.08 2.92 -7.23 0.17 0.13 120.40 118.47 1gjx s VAL 75 Ca -0.07 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 1gjx s VAL 75 Cb -0.15 -2.94 -0.27 0.00 0.56 0.00 0.00 36.38 33.58 1gjx s VAL 75 CO 0.05 -0.01 1.16 -0.08 -0.31 0.00 0.00 175.10 175.91 1gjx h GLU 76 N 1.86 0.39 -3.60 4.82 4.81 0.63 1.23 114.58 124.71 1gjx h GLU 76 Ca -0.43 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.23 1gjx h GLU 76 Cb 1.24 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1gjx h GLU 76 CO 0.78 1.24 -0.84 0.00 -0.73 0.00 0.00 179.01 179.46 1gjx n ALA 77 N -2.58 -1.84 -4.29 2.92 0.00 -1.26 -2.75 120.51 110.72 1gjx n ALA 77 Ca -0.10 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1gjx n ALA 77 Cb 0.98 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.06 -0.93 -4.31 0.00 0.28 0.47 -4.64 120.64 109.45 1gjx n GLU 78 Ca 0.00 0.09 -0.21 0.00 -0.16 0.00 0.00 57.16 56.88 1gjx n GLU 78 Cb 0.29 -3.57 -0.11 0.00 1.43 0.00 0.00 31.44 29.48 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 -4.28 1.32 -0.30 -1.84 0.00 -0.99 -5.01 107.32 96.22 1gjx s GLY 79 Ca 0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1gjx s GLY 79 CO 0.98 -1.47 0.06 -1.08 0.00 0.00 0.00 173.10 171.58 1gjx s THR 80 N -1.97 3.61 0.00 0.90 -1.32 -1.26 -4.74 115.64 110.86 1gjx s THR 80 Ca 0.13 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1gjx s THR 80 Cb -0.06 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 1gjx s THR 80 CO 0.06 -0.02 0.41 0.00 -2.21 0.00 0.00 174.62 172.86