#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 -0.80 -3.70 0.00 4.32 0.08 -5.02 117.00 111.87 1gjx n LEU 2 Ca 0.00 1.84 -0.10 0.00 -0.02 0.00 0.00 56.01 57.73 1gjx n LEU 2 Cb 0.00 -4.28 -0.06 0.00 -1.62 0.00 0.00 43.42 37.46 1gjx n LEU 2 CO 0.00 -2.77 0.08 -0.69 -1.22 0.00 0.00 177.39 172.80 1gjx s VAL 3 N -3.16 0.09 -0.31 4.08 1.01 0.35 -4.80 120.40 117.66 1gjx s VAL 3 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1gjx s VAL 3 Cb 0.00 -1.18 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1gjx s VAL 3 CO 0.00 -0.40 0.12 -1.83 0.00 0.00 0.00 175.10 172.99 1gjx s GLU 4 N -3.62 0.52 0.22 2.72 -1.05 -1.26 0.81 118.70 117.04 1gjx s GLU 4 Ca 0.02 -0.90 -0.31 0.00 -0.15 0.00 0.00 54.97 53.64 1gjx s GLU 4 Cb 0.02 -1.64 -0.11 0.00 -0.44 0.00 0.00 34.13 31.96 1gjx s GLU 4 CO -0.10 -1.01 1.60 -0.51 0.95 0.00 0.00 175.26 176.18 1gjx s LEU 5 N 1.75 4.37 -0.56 1.83 1.43 0.44 -4.89 118.68 123.05 1gjx s LEU 5 Ca 0.10 2.78 0.06 0.00 -1.03 0.00 0.00 54.13 56.04 1gjx s LEU 5 Cb -0.17 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.66 1gjx s LEU 5 CO -0.28 -0.87 0.58 0.29 0.23 0.00 0.00 176.35 176.30 1gjx n LYS 6 N 3.22 1.59 -1.58 1.70 5.02 -1.26 0.26 118.16 127.10 1gjx n LYS 6 Ca 0.12 -4.04 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 1gjx n LYS 6 Cb 0.38 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.48 -2.97 -0.28 -0.18 0.31 -1.26 -2.96 118.33 112.47 1gjx n VAL 7 Ca 0.26 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 66.05 1gjx n VAL 7 Cb 0.44 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 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 -2.48 1.77 -3.44 5.55 -0.05 -1.26 -4.73 135.00 130.37 1gjx n PRO 8 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 63.50 63.02 1gjx n PRO 8 Cb 0.43 0.00 -0.07 0.00 -0.05 0.00 0.00 33.50 33.81 1gjx n PRO 8 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1gjx s ASP 9 N -1.00 5.95 -0.83 3.54 -1.08 -1.26 -4.79 116.67 117.21 1gjx s ASP 9 Ca 0.00 -1.91 0.02 0.00 -0.52 0.00 0.00 52.55 50.13 1gjx s ASP 9 Cb 0.00 -2.10 0.28 0.00 -1.46 0.00 0.00 42.92 39.64 1gjx s ASP 9 CO 0.00 -0.76 1.11 2.30 0.52 0.00 0.00 175.17 178.34 1gjx n ILE 10 N 4.99 3.80 -0.25 4.11 -6.64 -1.26 -4.74 119.36 119.37 1gjx n ILE 10 Ca -0.09 -5.58 0.00 0.00 -1.77 0.00 0.00 62.75 55.31 1gjx n ILE 10 Cb 0.41 -2.01 0.00 0.00 -1.44 0.00 0.00 39.64 36.59 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 0.90 2.17 1.68 3.28 0.00 -1.26 -3.53 105.19 108.43 1gjx n GLY 11 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.00 0.77 3.90 -0.02 0.00 -1.26 -5.05 105.19 101.53 1gjx n GLY 12 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.78 1.77 0.14 1.61 0.00 -1.23 -5.08 115.29 109.71 1gjx s HIS 13 Ca 0.00 -0.79 0.02 0.00 -3.00 0.00 0.00 55.06 51.29 1gjx s HIS 13 Cb 0.00 -1.96 0.02 0.00 -4.00 0.00 0.00 32.58 26.64 1gjx s HIS 13 CO 0.00 -0.45 0.16 -0.85 -1.00 0.00 0.00 174.74 172.60 1gjx n GLU 14 N -1.75 1.04 -3.09 -0.38 0.28 -1.26 -4.36 120.64 111.12 1gjx n GLU 14 Ca -0.00 -0.79 -0.10 0.00 -0.16 0.00 0.00 57.16 56.11 1gjx n GLU 14 Cb 0.64 -0.01 0.01 0.00 1.43 0.00 0.00 31.44 33.51 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 -2.54 -6.90 0.00 -1.84 0.23 0.11 -4.87 115.26 99.45 1gjx n ASN 15 Ca 0.02 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1gjx n ASN 15 Cb 0.15 -3.09 0.00 0.00 -2.08 0.00 0.00 39.78 34.76 1gjx n ASN 15 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1gjx n VAL 16 N 0.60 0.00 -3.74 3.53 0.24 0.59 -4.89 118.33 114.65 1gjx n VAL 16 Ca -0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1gjx n VAL 16 Cb 0.41 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.67 1gjx n VAL 16 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1gjx s ASP 17 N 1.00 -0.38 0.71 -1.34 -1.08 -1.25 -2.32 116.67 112.01 1gjx s ASP 17 Ca 0.00 0.73 -0.11 0.00 -0.52 0.00 0.00 52.55 52.65 1gjx s ASP 17 Cb 0.00 0.72 0.02 0.00 -1.46 0.00 0.00 42.92 42.19 1gjx s ASP 17 CO 0.00 -0.13 1.07 -0.63 0.52 0.00 0.00 175.17 176.00 1gjx s ILE 18 N 0.39 3.76 0.00 4.11 1.01 -1.16 -2.49 121.20 126.83 1gjx s ILE 18 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1gjx s ILE 18 Cb -0.04 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1gjx s ILE 18 CO -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 174.94 174.18 1gjx n ILE 19 N -3.12 0.00 -3.76 2.92 3.06 0.44 -4.23 119.36 114.66 1gjx n ILE 19 Ca 0.07 -0.16 -0.13 0.00 -2.50 0.00 0.00 62.75 60.02 1gjx n ILE 19 Cb 0.55 1.03 -0.09 0.00 0.54 0.00 0.00 39.64 41.67 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 -0.31 -0.79 -0.05 1.51 0.00 -0.93 -4.75 121.76 116.44 1gjx s ALA 20 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 1gjx s ALA 20 Cb 0.00 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1gjx s ALA 20 CO 0.00 -0.25 0.08 0.08 0.00 0.00 0.00 175.76 175.67 1gjx s VAL 21 N -1.19 -0.13 0.00 0.00 1.01 -1.26 -3.36 120.40 115.47 1gjx s VAL 21 Ca -0.12 0.38 0.19 0.00 0.00 0.00 0.00 61.98 62.43 1gjx s VAL 21 Cb -0.05 -0.17 0.32 0.00 0.00 0.00 0.00 36.38 36.48 1gjx s VAL 21 CO 0.04 0.16 1.12 -0.62 0.00 0.00 0.00 175.10 175.79 1gjx n GLU 22 N 5.12 0.00 -4.61 2.72 1.02 -0.70 -5.00 120.64 119.18 1gjx n GLU 22 Ca -0.07 -1.72 -0.33 0.00 -0.02 0.00 0.00 57.16 55.02 1gjx n GLU 22 Cb 0.50 -0.02 -0.16 0.00 -0.02 0.00 0.00 31.44 31.74 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 0.00 2.43 -0.00 2.62 -7.23 -1.26 -4.96 120.40 112.00 1gjx s VAL 23 Ca 0.25 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1gjx s VAL 23 Cb 0.29 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1gjx s VAL 23 CO -0.13 0.53 0.64 0.59 -0.31 0.00 0.00 175.10 176.42 1gjx n ASN 24 N 4.03 0.28 -1.77 4.85 3.02 -1.26 -4.98 115.26 119.43 1gjx n ASN 24 Ca -0.19 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1gjx n ASN 24 Cb 0.52 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.09 -6.89 0.00 2.41 0.31 -1.26 -4.84 118.33 107.97 1gjx n VAL 25 Ca 0.00 2.60 0.00 0.00 -0.01 0.00 0.00 64.34 66.93 1gjx n VAL 25 Cb 0.50 -3.68 0.00 0.00 -0.91 0.00 0.00 33.84 29.75 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 0.71 2.59 3.82 2.92 0.00 -1.00 -4.99 105.19 109.24 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 -1.25 6.48 -0.21 1.61 1.11 -1.26 -4.85 116.67 118.29 1gjx s ASP 27 Ca 0.00 1.74 -0.25 0.00 0.18 0.00 0.00 52.55 54.21 1gjx s ASP 27 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1gjx s ASP 27 CO 0.00 -0.69 0.86 -0.89 1.18 0.00 0.00 175.17 175.63 1gjx s THR 28 N -2.32 4.83 0.15 -1.27 2.01 -1.26 -3.40 115.64 114.37 1gjx s THR 28 Ca 0.63 1.66 0.06 0.00 0.31 0.00 0.00 61.69 64.34 1gjx s THR 28 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1gjx s THR 28 CO 0.25 -0.05 0.05 0.27 -0.69 0.00 0.00 174.62 174.44 1gjx s ILE 29 N 2.64 4.07 0.24 1.82 -4.36 -0.53 -5.03 121.20 120.06 1gjx s ILE 29 Ca 0.37 -1.19 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 1gjx s ILE 29 Cb -0.16 -3.03 -0.01 0.00 1.25 0.00 0.00 42.46 40.51 1gjx s ILE 29 CO 0.09 -0.05 0.12 0.00 0.24 0.00 0.00 174.94 175.34 1gjx n ALA 30 N -0.02 0.40 -1.19 2.27 0.00 -1.06 -2.25 120.51 118.65 1gjx n ALA 30 Ca -0.09 -1.29 -0.19 0.00 0.00 0.00 0.00 53.44 51.86 1gjx n ALA 30 Cb 0.54 0.93 -0.07 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.52 3.06 0.00 0.00 0.31 -1.09 -3.40 118.33 116.69 1gjx n VAL 31 Ca -0.01 -2.19 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 1gjx n VAL 31 Cb 0.39 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 1.32 0.00 -3.53 4.52 5.68 -1.12 -4.91 116.55 118.51 1gjx n ASP 32 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 1gjx n ASP 32 Cb 0.66 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.61 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 -1.18 -0.03 -1.12 -4.77 0.40 -4.98 116.67 104.99 1gjx s ASP 33 Ca 0.00 1.39 -0.30 0.00 -3.30 0.00 0.00 52.55 50.34 1gjx s ASP 33 Cb 0.00 2.25 -0.08 0.00 -1.09 0.00 0.00 42.92 43.99 1gjx s ASP 33 CO 0.00 -0.22 2.02 0.35 0.70 0.00 0.00 175.17 178.02 1gjx n THR 34 N 5.43 0.67 -0.07 2.11 -2.24 -1.25 -1.12 114.28 117.80 1gjx n THR 34 Ca -0.09 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 1gjx n THR 34 Cb 0.50 -2.33 -0.12 0.00 -2.10 0.00 0.00 70.33 66.27 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 8.34 2.32 0.00 3.22 4.77 0.45 -4.90 117.00 131.20 1gjx n LEU 35 Ca 0.22 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1gjx n LEU 35 Cb 0.41 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1gjx n LEU 35 CO 0.68 0.63 0.29 2.30 -1.33 0.00 0.00 177.39 179.97 1gjx n ILE 36 N -3.89 0.00 -4.23 -0.08 -6.64 -1.23 -1.73 119.36 101.56 1gjx n ILE 36 Ca -0.38 -1.39 -0.17 0.00 -1.77 0.00 0.00 62.75 59.04 1gjx n ILE 36 Cb 0.89 1.00 -0.13 0.00 -1.44 0.00 0.00 39.64 39.96 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 -2.55 0.79 0.12 7.28 2.01 -1.21 -1.51 115.64 120.58 1gjx s THR 37 Ca 0.23 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1gjx s THR 37 Cb -0.02 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 1gjx s THR 37 CO 0.16 -0.08 0.03 -0.11 -0.69 0.00 0.00 174.62 173.93 1gjx n LEU 38 N 2.01 0.00 -3.75 4.42 7.94 0.21 0.17 117.00 127.99 1gjx n LEU 38 Ca -0.18 -0.84 -0.00 0.00 -1.11 0.00 0.00 56.01 53.88 1gjx n LEU 38 Cb 0.55 0.22 -0.00 0.00 0.53 0.00 0.00 43.42 44.72 1gjx n LEU 38 CO 0.23 -0.13 0.94 -0.70 -1.11 0.00 0.00 177.39 176.62 1gjx s GLU 39 N -2.44 0.75 0.00 1.96 2.12 -1.04 -1.31 118.70 118.74 1gjx s GLU 39 Ca 0.04 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1gjx s GLU 39 Cb 0.00 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1gjx s GLU 39 CO 0.03 -0.35 0.00 0.25 -0.54 0.00 0.00 175.26 174.65 1gjx n THR 40 N -0.57 0.00 0.30 -1.70 -2.24 0.20 -3.76 114.28 106.51 1gjx n THR 40 Ca -0.05 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.92 1gjx n THR 40 Cb 0.61 0.00 0.90 0.00 -2.10 0.00 0.00 70.33 69.74 1gjx n THR 40 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1gjx h ASP 41 N 0.00 0.00 0.00 3.42 5.19 -1.94 -3.36 116.42 119.73 1gjx h ASP 41 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1gjx h ASP 41 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1gjx h ASP 41 CO 0.00 0.00 0.03 1.17 -3.12 0.00 0.00 179.24 177.32 1gjx n LYS 42 N -3.04 0.41 -3.65 3.56 3.00 -1.26 -5.15 118.16 112.05 1gjx n LYS 42 Ca -0.01 -0.99 -0.03 0.00 -0.00 0.00 0.00 58.31 57.29 1gjx n LYS 42 Cb 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 35.03 35.04 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 0.08 -2.30 0.15 3.14 0.00 -1.26 -5.15 121.76 116.43 1gjx s ALA 43 Ca 0.12 1.96 0.06 0.00 0.00 0.00 0.00 51.96 54.09 1gjx s ALA 43 Cb 0.19 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1gjx s ALA 43 CO -0.07 -0.26 0.07 0.95 0.00 0.00 0.00 175.76 176.45 1gjx s THR 44 N 0.72 4.19 0.08 0.00 -4.23 -1.26 0.60 115.64 115.73 1gjx s THR 44 Ca -0.02 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1gjx s THR 44 Cb -0.04 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1gjx s THR 44 CO -0.12 -0.06 0.12 0.80 -0.54 0.00 0.00 174.62 174.82 1gjx n MET 45 N -0.10 0.18 -3.77 3.99 1.56 -0.43 -4.89 117.12 113.66 1gjx n MET 45 Ca -0.09 -0.56 0.02 0.00 -0.27 0.00 0.00 57.70 56.80 1gjx n MET 45 Cb 0.54 0.58 0.00 0.00 2.15 0.00 0.00 33.22 36.50 1gjx n MET 45 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1gjx s ASP 46 N -1.46 -0.03 -0.11 6.12 1.47 -1.26 0.64 116.67 122.04 1gjx s ASP 46 Ca 0.05 -0.16 0.01 0.00 1.18 0.00 0.00 52.55 53.63 1gjx s ASP 46 Cb -0.00 0.15 0.02 0.00 -0.34 0.00 0.00 42.92 42.74 1gjx s ASP 46 CO 0.04 -0.29 -0.13 -0.69 0.68 0.00 0.00 175.17 174.78 1gjx s VAL 47 N -2.22 1.37 -0.24 2.11 1.01 -0.57 -4.78 120.40 117.08 1gjx s VAL 47 Ca 0.21 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1gjx s VAL 47 Cb 0.03 -1.29 0.36 0.00 0.00 0.00 0.00 36.38 35.48 1gjx s VAL 47 CO -0.03 0.42 1.49 -0.81 0.00 0.00 0.00 175.10 176.18 1gjx n PRO 48 N 4.46 1.68 -2.99 2.72 -0.04 -1.25 0.17 135.00 139.74 1gjx n PRO 48 Ca -0.18 -1.62 -0.01 0.00 -0.04 0.00 0.00 63.50 61.66 1gjx n PRO 48 Cb 0.51 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.38 -2.30 -2.20 0.55 0.00 -0.27 0.15 120.51 116.05 1gjx n ALA 49 Ca 0.32 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.76 1gjx n ALA 49 Cb 1.13 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.50 4.63 -3.53 0.00 1.02 -1.26 -2.77 120.64 120.23 1gjx n GLU 50 Ca -0.05 -3.74 -0.17 0.00 -0.02 0.00 0.00 57.16 53.17 1gjx n GLU 50 Cb 0.30 -2.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.02 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gjx s VAL 51 N -1.62 0.00 -0.75 2.62 -7.23 -1.22 -4.97 120.40 107.24 1gjx s VAL 51 Ca 0.48 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.69 1gjx s VAL 51 Cb 0.17 -1.00 0.22 0.00 0.56 0.00 0.00 36.38 36.33 1gjx s VAL 51 CO -0.08 0.00 0.74 0.00 -0.31 0.00 0.00 175.10 175.45 1gjx n ALA 52 N 0.96 3.92 -2.04 1.32 0.00 -1.26 -2.55 120.51 120.86 1gjx n ALA 52 Ca -0.18 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.58 1gjx n ALA 52 Cb 0.57 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.49 2.66 2.92 0.00 0.00 -0.95 0.16 105.19 111.47 1gjx n GLY 53 Ca 0.25 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 0.97 0.28 0.42 1.61 1.01 -1.26 -1.46 120.40 121.96 1gjx s VAL 54 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 1gjx s VAL 54 Cb 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 1gjx s VAL 54 CO 0.00 0.09 1.07 -0.69 0.00 0.00 0.00 175.10 175.56 1gjx s VAL 55 N 0.03 3.63 -0.06 2.92 1.01 -1.22 0.39 120.40 127.10 1gjx s VAL 55 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1gjx s VAL 55 Cb -0.03 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1gjx s VAL 55 CO -0.00 -0.02 -0.07 0.29 0.00 0.00 0.00 175.10 175.29 1gjx n LYS 56 N -0.24 0.14 -4.18 2.72 4.76 0.37 -2.37 118.16 119.36 1gjx n LYS 56 Ca 0.06 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 1gjx n LYS 56 Cb 0.50 -0.88 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.12 2.23 -0.30 1.97 2.02 -1.20 -4.83 118.70 116.47 1gjx s GLU 57 Ca -0.09 -2.00 -0.07 0.00 0.02 0.00 0.00 54.97 52.84 1gjx s GLU 57 Cb 0.03 -1.93 0.15 0.00 0.10 0.00 0.00 34.13 32.48 1gjx s GLU 57 CO 0.12 -0.30 0.66 0.54 0.02 0.00 0.00 175.26 176.30 1gjx s VAL 58 N -2.70 -0.96 -0.50 2.63 0.11 -1.24 -3.36 120.40 114.39 1gjx s VAL 58 Ca 0.32 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1gjx s VAL 58 Cb 0.02 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.04 1gjx s VAL 58 CO 0.18 0.00 0.40 0.29 -3.33 0.00 0.00 175.10 172.64 1gjx n LYS 59 N 5.42 0.70 -3.61 1.54 5.02 0.42 -4.95 118.16 122.71 1gjx n LYS 59 Ca -0.08 -3.57 -0.05 0.00 -2.02 0.00 0.00 58.31 52.59 1gjx n LYS 59 Cb 0.50 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.46 0.00 0.26 -0.18 0.11 -1.26 -4.26 120.40 114.61 1gjx s VAL 60 Ca 0.31 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1gjx s VAL 60 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1gjx s VAL 60 CO -0.18 0.00 0.17 -0.75 -3.33 0.00 0.00 175.10 171.01 1gjx s LYS 61 N -1.47 1.44 -0.74 1.54 2.47 -1.26 -5.03 119.74 116.69 1gjx s LYS 61 Ca 0.06 -1.80 -0.04 0.00 -1.56 0.00 0.00 55.97 52.63 1gjx s LYS 61 Cb -0.01 0.18 0.13 0.00 -1.46 0.00 0.00 37.83 36.67 1gjx s LYS 61 CO -0.04 -0.46 2.53 1.55 0.16 0.00 0.00 175.35 179.08 1gjx n VAL 62 N -0.44 3.99 0.00 4.02 3.14 -1.26 -4.22 118.33 123.56 1gjx n VAL 62 Ca 0.03 -3.67 0.00 0.00 -2.96 0.00 0.00 64.34 57.75 1gjx n VAL 62 Cb 0.65 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.77 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 0.83 -0.33 2.00 7.55 0.00 -1.26 -4.91 105.19 109.07 1gjx n GLY 63 Ca 0.53 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 1gjx n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gjx n ASP 64 N 0.00 1.21 -4.76 1.61 5.75 -1.26 -4.98 116.55 114.12 1gjx n ASP 64 Ca 0.00 -2.29 -0.31 0.00 -0.01 0.00 0.00 54.79 52.18 1gjx n ASP 64 Cb 0.00 0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 40.61 1gjx n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gjx s LYS 65 N -2.93 2.84 0.23 0.11 -0.14 -1.26 -2.99 119.74 115.59 1gjx s LYS 65 Ca 0.12 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1gjx s LYS 65 Cb 0.01 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 1gjx s LYS 65 CO 0.08 0.57 0.13 0.42 -0.76 0.00 0.00 175.35 175.79 1gjx s ILE 66 N -1.37 0.16 -0.38 2.17 1.09 -0.98 -4.90 121.20 117.00 1gjx s ILE 66 Ca 0.28 -2.00 0.12 0.00 -1.10 0.00 0.00 60.65 57.95 1gjx s ILE 66 Cb -0.12 -2.53 0.41 0.00 -1.06 0.00 0.00 42.46 39.15 1gjx s ILE 66 CO 0.21 0.00 1.26 -1.54 -0.10 0.00 0.00 174.94 174.77 1gjx n SER 67 N -0.44 -0.99 -3.99 3.58 3.41 -1.26 0.07 113.62 114.01 1gjx n SER 67 Ca 0.02 -2.51 -0.39 0.00 -0.26 0.00 0.00 58.87 55.72 1gjx n SER 67 Cb 0.66 0.59 0.01 0.00 -0.26 0.00 0.00 64.21 65.21 1gjx n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gjx n GLU 68 N -0.50 -0.68 0.00 4.33 1.02 -1.26 -4.75 120.64 118.80 1gjx n GLU 68 Ca -0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1gjx n GLU 68 Cb 0.84 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.94 -0.68 0.17 0.62 0.00 -1.16 -4.90 105.19 97.30 1gjx n GLY 69 Ca -0.19 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 2.70 4.09 -0.02 0.00 -1.26 -4.97 105.19 105.73 1gjx n GLY 70 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.77 -1.73 0.00 0.99 7.94 -1.23 -4.89 117.00 117.30 1gjx n LEU 71 Ca 0.08 -1.12 0.00 0.00 -1.11 0.00 0.00 56.01 53.86 1gjx n LEU 71 Cb 0.59 -1.98 0.00 0.00 0.53 0.00 0.00 43.42 42.56 1gjx n LEU 71 CO 0.00 0.46 0.17 -0.38 -1.11 0.00 0.00 177.39 176.53 1gjx n ILE 72 N -4.48 0.00 -4.80 1.96 5.41 0.14 -4.43 119.36 113.16 1gjx n ILE 72 Ca -0.31 0.84 -0.29 0.00 1.00 0.00 0.00 62.75 63.99 1gjx n ILE 72 Cb 0.69 -1.46 -0.14 0.00 -0.71 0.00 0.00 39.64 38.01 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 -0.68 2.06 -0.06 1.39 -7.23 -1.22 0.16 120.40 114.82 1gjx s VAL 73 Ca 0.00 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1gjx s VAL 73 Cb 0.00 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1gjx s VAL 73 CO 0.00 0.30 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.26 1gjx s VAL 74 N -0.83 3.02 0.34 1.32 1.01 -1.21 0.17 120.40 124.21 1gjx s VAL 74 Ca 0.11 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1gjx s VAL 74 Cb -0.10 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1gjx s VAL 74 CO 0.02 0.58 0.12 0.68 0.00 0.00 0.00 175.10 176.51 1gjx s VAL 75 N -0.61 0.64 0.01 2.92 -7.23 0.24 0.14 120.40 116.52 1gjx s VAL 75 Ca 0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1gjx s VAL 75 Cb -0.11 -2.53 -0.25 0.00 0.56 0.00 0.00 36.38 34.05 1gjx s VAL 75 CO 0.01 0.00 0.89 -0.08 -0.31 0.00 0.00 175.10 175.61 1gjx h GLU 76 N 2.05 0.14 -2.81 4.82 4.81 -0.34 1.01 114.58 124.25 1gjx h GLU 76 Ca -0.36 -0.23 0.26 0.00 -0.13 0.00 0.00 59.36 58.89 1gjx h GLU 76 Cb 1.26 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.59 1gjx h GLU 76 CO 0.59 0.95 -0.85 0.00 -0.73 0.00 0.00 179.01 178.96 1gjx n ALA 77 N -2.58 -3.13 0.00 2.92 0.00 -1.24 -0.74 120.51 115.73 1gjx n ALA 77 Ca -0.13 0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1gjx n ALA 77 Cb 1.02 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1gjx n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gjx n GLU 78 N -3.90 0.00 0.00 0.00 1.02 0.43 -4.33 120.64 113.85 1gjx n GLU 78 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1gjx n GLU 78 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gjx n GLY 79 N 0.00 3.33 1.90 0.62 0.00 0.85 -4.70 105.19 107.20 1gjx n GLY 79 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.02 -1.97 2.61 -2.24 -1.26 -5.09 114.28 106.35 1gjx n THR 80 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1gjx n THR 80 Cb 0.00 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50