#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs h LYS 2 N 0.00 0.87 0.00 2.12 1.57 -2.07 -3.31 116.57 115.74 1gjs h LYS 2 Ca 0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1gjs h LYS 2 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1gjs h LYS 2 CO 0.00 1.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.91 1gjs n ALA 3 N -2.52 -0.12 -3.56 3.86 0.00 -1.26 -4.47 120.51 112.44 1gjs n ALA 3 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1gjs n ALA 3 Cb 0.48 0.36 -0.17 0.00 0.00 0.00 0.00 19.45 20.12 1gjs n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gjs s ILE 4 N -2.90 2.05 -0.03 0.00 -1.09 -1.25 -4.97 121.20 113.02 1gjs s ILE 4 Ca 0.00 -0.99 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1gjs s ILE 4 Cb 0.00 -1.81 -0.07 0.00 -1.58 0.00 0.00 42.46 39.00 1gjs s ILE 4 CO 0.00 0.55 0.11 0.33 -1.23 0.00 0.00 174.94 174.71 1gjs n PHE 5 N 3.93 0.00 -4.28 3.97 -0.00 -1.26 -4.07 117.46 115.76 1gjs n PHE 5 Ca -0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.10 1gjs n PHE 5 Cb 0.52 -0.10 -0.10 0.00 -0.00 0.00 0.00 39.48 39.80 1gjs n PHE 5 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1gjs s VAL 6 N -2.23 1.34 0.37 -2.13 -7.23 -1.26 -5.11 120.40 104.15 1gjs s VAL 6 Ca -0.01 -2.10 -0.28 0.00 -1.81 0.00 0.00 61.98 57.77 1gjs s VAL 6 Cb 0.03 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.96 1gjs s VAL 6 CO 0.20 -0.70 1.47 -0.76 -0.31 0.00 0.00 175.10 175.00 1gjs s LEU 7 N -3.21 4.33 0.11 1.32 1.43 -1.26 -5.00 118.68 116.40 1gjs s LEU 7 Ca 0.18 3.02 -0.25 0.00 -1.03 0.00 0.00 54.13 56.05 1gjs s LEU 7 Cb 0.01 -3.67 0.07 0.00 0.03 0.00 0.00 46.19 42.64 1gjs s LEU 7 CO 0.02 -0.85 0.62 0.21 0.23 0.00 0.00 176.35 176.59 1gjs s ASN 8 N -0.16 -0.59 0.00 2.29 2.47 -1.26 -5.11 114.94 112.57 1gjs s ASN 8 Ca 0.53 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.98 1gjs s ASN 8 Cb -0.46 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 1gjs s ASN 8 CO 0.62 -0.88 0.00 0.00 -3.72 0.00 0.00 177.10 173.12 1gjs n ALA 9 N -0.06 0.00 -1.87 1.71 0.00 -1.26 -5.15 120.51 113.88 1gjs n ALA 9 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 1gjs n ALA 9 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1gjs n ALA 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1gjs s GLN 10 N 4.03 3.60 0.00 0.00 1.11 -1.26 -4.89 119.66 122.25 1gjs s GLN 10 Ca 0.00 0.74 0.03 0.00 0.01 0.00 0.00 55.36 56.14 1gjs s GLN 10 Cb 0.00 -2.08 0.13 0.00 -1.01 0.00 0.00 33.01 30.05 1gjs s GLN 10 CO 0.00 -0.57 0.91 -2.39 0.01 0.00 0.00 175.29 173.25 1gjs n HIS 11 N -2.75 0.00 -1.74 0.91 1.44 -1.26 -4.71 115.22 107.11 1gjs n HIS 11 Ca 0.06 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 1gjs n HIS 11 Cb 0.54 -0.30 0.06 0.00 0.12 0.00 0.00 29.99 30.41 1gjs n HIS 11 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1gjs n ASP 12 N -1.30 2.35 -4.73 4.39 8.00 -1.26 -4.87 116.55 119.12 1gjs n ASP 12 Ca 0.01 0.89 -0.42 0.00 0.71 0.00 0.00 54.79 55.98 1gjs n ASP 12 Cb 0.02 -1.57 -0.02 0.00 -0.02 0.00 0.00 41.12 39.53 1gjs n ASP 12 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1gjs n GLU 13 N -1.57 2.68 0.00 -1.24 2.13 -1.26 -4.72 120.64 116.66 1gjs n GLU 13 Ca 0.14 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.92 1gjs n GLU 13 Cb 0.47 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1gjs n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gjs n ALA 14 N 2.74 0.00 -0.24 4.31 0.00 -1.26 -4.96 120.51 121.10 1gjs n ALA 14 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 1gjs n ALA 14 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 1gjs n ALA 14 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1gjs h VAL 15 N 0.25 1.24 -2.06 0.00 3.04 -1.98 -3.45 116.25 113.30 1gjs h VAL 15 Ca 0.00 -0.79 -0.05 0.00 -1.01 0.00 0.00 66.70 64.86 1gjs h VAL 15 Cb 0.13 0.52 -0.21 0.00 -2.01 0.00 0.00 31.29 29.72 1gjs h VAL 15 CO 0.00 0.31 0.11 -0.62 -1.01 0.00 0.00 177.57 176.36 1gjs s ASP 16 N -6.21 -0.71 0.00 3.17 -1.08 -1.26 -5.01 116.67 105.56 1gjs s ASP 16 Ca -0.13 1.30 0.26 0.00 -0.52 0.00 0.00 52.55 53.46 1gjs s ASP 16 Cb 0.14 1.30 0.82 0.00 -1.46 0.00 0.00 42.92 43.72 1gjs s ASP 16 CO 0.81 -0.29 1.61 0.00 0.52 0.00 0.00 175.17 177.82 1gjs n ALA 17 N 2.46 2.54 1.79 3.66 0.00 -1.26 -3.84 120.51 125.86 1gjs n ALA 17 Ca -0.15 -0.53 0.15 0.00 0.00 0.00 0.00 53.44 52.91 1gjs n ALA 17 Cb 0.55 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.67 1gjs n ALA 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gjs n ASN 18 N 0.45 0.60 -0.18 0.00 5.03 -1.26 -3.92 115.26 115.98 1gjs n ASN 18 Ca 0.18 -1.24 -0.07 0.00 0.87 0.00 0.00 54.58 54.32 1gjs n ASN 18 Cb 0.40 -0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.17 1gjs n ASN 18 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1gjs h SER 19 N 0.92 0.60 -0.00 6.41 0.87 -1.99 0.66 113.55 121.02 1gjs h SER 19 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1gjs h SER 19 Cb 0.20 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1gjs h SER 19 CO 0.00 0.43 0.00 0.25 -0.53 0.00 0.00 176.83 176.98 1gjs h LEU 20 N 0.70 0.00 -0.92 2.23 6.46 -1.90 -1.40 115.31 120.48 1gjs h LEU 20 Ca 0.19 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1gjs h LEU 20 Cb -0.08 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1gjs h LEU 20 CO -0.04 0.01 0.33 0.00 -0.62 0.00 0.00 178.44 178.12 1gjs h ALA 21 N 0.99 1.15 -1.01 1.25 0.00 -1.68 -2.46 119.26 117.50 1gjs h ALA 21 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1gjs h ALA 21 Cb 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1gjs h ALA 21 CO -0.00 0.63 0.67 1.49 0.00 0.00 0.00 179.25 182.03 1gjs h GLU 22 N 1.09 1.32 -0.87 0.00 4.81 0.79 -1.36 114.58 120.37 1gjs h GLU 22 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1gjs h GLU 22 Cb 0.17 -0.30 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1gjs h GLU 22 CO -0.03 0.87 0.56 0.00 -0.73 0.00 0.00 179.01 179.69 1gjs h ALA 23 N 1.37 1.14 -0.84 2.92 0.00 -0.78 0.55 119.26 123.62 1gjs h ALA 23 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1gjs h ALA 23 Cb -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.30 1gjs h ALA 23 CO -0.08 0.41 0.39 0.87 0.00 0.00 0.00 179.25 180.83 1gjs h LYS 24 N 1.09 1.23 -0.08 0.00 1.57 -1.17 0.61 116.57 119.81 1gjs h LYS 24 Ca 0.35 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1gjs h LYS 24 Cb 0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1gjs h LYS 24 CO -0.12 0.95 -0.05 0.28 -0.57 0.00 0.00 179.45 179.95 1gjs h VAL 25 N 1.21 1.34 -0.98 0.50 2.07 -0.12 -0.70 116.25 119.58 1gjs h VAL 25 Ca 0.29 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1gjs h VAL 25 Cb 0.15 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1gjs h VAL 25 CO -0.03 0.31 0.65 -0.07 0.02 0.00 0.00 177.57 178.44 1gjs h LEU 26 N -0.23 1.12 -0.51 2.57 3.38 0.26 -0.21 115.31 121.69 1gjs h LEU 26 Ca 0.02 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1gjs h LEU 26 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1gjs h LEU 26 CO 0.01 0.81 -0.17 0.00 0.09 0.00 0.00 178.44 179.19 1gjs h ALA 27 N 1.36 0.71 -0.89 1.53 0.00 -0.82 -2.77 119.26 118.37 1gjs h ALA 27 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gjs h ALA 27 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1gjs h ALA 27 CO -0.08 0.67 0.48 -0.97 0.00 0.00 0.00 179.25 179.35 1gjs h ASN 28 N 0.88 1.12 -1.00 0.00 -0.73 -0.33 -2.23 115.58 113.30 1gjs h ASN 28 Ca 0.12 -0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.20 1gjs h ASN 28 Cb 0.74 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 39.00 1gjs h ASN 28 CO 0.06 0.91 0.66 0.03 -0.37 0.00 0.00 177.43 178.71 1gjs h ARG 29 N 1.25 1.32 -0.16 6.67 2.47 -0.81 0.10 114.38 125.23 1gjs h ARG 29 Ca 0.31 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1gjs h ARG 29 Cb 0.04 -0.30 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 1gjs h ARG 29 CO -0.05 0.88 0.10 1.49 0.56 0.00 0.00 179.97 182.95 1gjs h GLU 30 N 1.36 0.20 -0.50 0.04 4.81 -1.14 0.16 114.58 119.51 1gjs h GLU 30 Ca 0.37 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1gjs h GLU 30 Cb -0.15 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1gjs h GLU 30 CO -0.08 0.14 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.25 1gjs h LEU 31 N 0.21 0.81 -1.11 1.64 3.38 -1.27 -2.45 115.31 116.51 1gjs h LEU 31 Ca 0.06 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1gjs h LEU 31 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1gjs h LEU 31 CO -0.01 0.89 0.60 -0.78 0.09 0.00 0.00 178.44 179.22 1gjs h ASP 32 N 0.78 1.04 -0.06 -0.43 1.82 -0.35 0.36 116.42 119.58 1gjs h ASP 32 Ca 0.15 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1gjs h ASP 32 Cb 0.49 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1gjs h ASP 32 CO 0.02 0.75 0.04 0.50 -1.61 0.00 0.00 179.24 178.94 1gjs h LYS 33 N 1.23 0.08 -0.05 0.28 3.64 -0.50 -2.19 116.57 119.05 1gjs h LYS 33 Ca 0.33 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1gjs h LYS 33 Cb -0.14 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1gjs h LYS 33 CO -0.07 0.05 -0.49 1.88 -2.27 0.00 0.00 179.45 178.55 1gjs h TYR 34 N 0.08 0.16 0.00 1.91 0.05 -1.33 -3.47 116.97 114.38 1gjs h TYR 34 Ca 0.02 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1gjs h TYR 34 Cb -0.01 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1gjs h TYR 34 CO -0.08 0.60 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 1gjs n GLY 35 N -0.05 0.12 0.35 3.88 0.00 0.12 -4.91 105.19 104.70 1gjs n GLY 35 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1gjs n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gjs n VAL 36 N -1.87 0.00 -2.61 1.61 0.24 -1.09 -4.75 118.33 109.86 1gjs n VAL 36 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1gjs n VAL 36 Cb 0.00 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 1gjs n VAL 36 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1gjs s SER 37 N -0.42 6.62 0.00 -1.34 0.15 -1.19 -4.67 113.70 112.85 1gjs s SER 37 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1gjs s SER 37 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1gjs s SER 37 CO 0.00 -1.25 0.00 0.47 1.20 0.00 0.00 173.24 173.66 1gjs n ASP 38 N 7.82 0.00 -0.26 5.45 8.00 -1.26 -4.87 116.55 131.43 1gjs n ASP 38 Ca 0.12 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.57 1gjs n ASP 38 Cb 0.49 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.65 1gjs n ASP 38 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1gjs h TYR 39 N 0.00 0.89 -0.30 1.24 5.03 -2.01 -1.43 116.97 120.40 1gjs h TYR 39 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1gjs h TYR 39 Cb 0.00 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 37.96 1gjs h TYR 39 CO 0.00 0.56 0.20 1.88 -1.32 0.00 0.00 178.16 179.48 1gjs h TYR 40 N 0.96 0.38 -0.53 -3.82 0.05 -1.93 -1.76 116.97 110.32 1gjs h TYR 40 Ca 0.26 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.94 1gjs h TYR 40 Cb -0.11 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1gjs h TYR 40 CO -0.02 0.24 -0.10 1.57 -1.05 0.00 0.00 178.16 178.80 1gjs h LYS 41 N 0.41 0.99 -0.45 4.88 2.10 -1.58 -2.10 116.57 120.83 1gjs h LYS 41 Ca 0.11 -0.35 -0.14 0.00 -2.00 0.00 0.00 60.65 58.26 1gjs h LYS 41 Cb -0.04 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.20 1gjs h LYS 41 CO -0.02 1.03 -0.29 -0.97 -2.00 0.00 0.00 179.45 177.20 1gjs h ASN 42 N 0.89 1.03 -0.92 7.07 -1.24 -1.09 -2.62 115.58 118.70 1gjs h ASN 42 Ca 0.14 -0.42 -0.00 0.00 0.71 0.00 0.00 56.30 56.72 1gjs h ASN 42 Cb 0.65 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 1gjs h ASN 42 CO 0.04 1.23 0.55 0.25 -1.29 0.00 0.00 177.43 178.22 1gjs h LEU 43 N 0.83 1.10 -0.68 0.34 5.85 -1.14 -2.07 115.31 119.55 1gjs h LEU 43 Ca 0.09 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1gjs h LEU 43 Cb 0.88 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1gjs h LEU 43 CO 0.08 0.84 0.30 0.40 -0.34 0.00 0.00 178.44 179.72 1gjs h ILE 44 N 1.26 1.23 -0.18 4.05 2.04 -1.22 -0.78 117.51 123.92 1gjs h ILE 44 Ca 0.33 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1gjs h ILE 44 Cb -0.06 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1gjs h ILE 44 CO -0.06 0.28 0.17 -1.13 0.00 0.00 0.00 178.15 177.41 1gjs h ASN 45 N 0.95 0.00 0.07 1.72 -1.24 -1.01 0.36 115.58 116.43 1gjs h ASN 45 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1gjs h ASN 45 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1gjs h ASN 45 CO -0.02 0.00 -0.07 -3.20 -1.29 0.00 0.00 177.43 172.84 1gjs n ASN 46 N -3.99 1.24 -4.75 1.15 5.15 -0.33 -4.91 115.26 108.82 1gjs n ASN 46 Ca 0.01 -1.26 -0.41 0.00 -0.60 0.00 0.00 54.58 52.32 1gjs n ASN 46 Cb 0.29 0.03 -0.01 0.00 -0.53 0.00 0.00 39.78 39.56 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gjs s ALA 47 N -2.16 3.73 -2.65 5.20 0.00 0.13 -4.88 121.76 121.12 1gjs s ALA 47 Ca 0.34 1.58 0.24 0.00 0.00 0.00 0.00 51.96 54.12 1gjs s ALA 47 Cb 0.21 -3.65 0.31 0.00 0.00 0.00 0.00 23.12 19.99 1gjs s ALA 47 CO 0.39 -0.99 1.31 1.63 0.00 0.00 0.00 175.76 178.10 1gjs n LYS 48 N 2.02 1.91 -3.72 0.00 5.02 -1.26 -4.95 118.16 117.18 1gjs n LYS 48 Ca 0.07 -1.51 -0.14 0.00 -2.02 0.00 0.00 58.31 54.72 1gjs n LYS 48 Cb 0.38 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1gjs n LYS 48 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gjs s THR 49 N -2.13 0.05 0.21 -0.18 2.01 -1.26 -5.04 115.64 109.30 1gjs s THR 49 Ca 0.27 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 1gjs s THR 49 Cb 0.20 -0.74 0.14 0.00 0.01 0.00 0.00 72.50 72.11 1gjs s THR 49 CO 0.38 -0.24 1.76 0.58 -0.69 0.00 0.00 174.62 176.40 1gjs h VAL 50 N 3.59 1.26 -0.57 3.82 2.07 -1.94 -2.06 116.25 122.43 1gjs h VAL 50 Ca -0.30 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1gjs h VAL 50 Cb 1.18 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1gjs h VAL 50 CO 0.41 0.36 0.38 1.05 0.02 0.00 0.00 177.57 179.78 1gjs h GLU 51 N 1.14 0.72 -0.06 1.57 4.11 -2.00 0.63 114.58 120.69 1gjs h GLU 51 Ca 0.25 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.53 1gjs h GLU 51 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1gjs h GLU 51 CO -0.01 0.47 -0.46 0.78 0.07 0.00 0.00 179.01 179.86 1gjs h GLY 52 N 0.74 0.16 0.69 1.06 0.00 -1.80 -1.00 103.07 102.92 1gjs h GLY 52 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1gjs h GLY 52 CO -0.05 0.15 -0.01 -2.08 0.00 0.00 0.00 176.54 174.54 1gjs h VAL 53 N 0.12 1.21 -0.38 4.60 2.07 -0.31 -2.47 116.25 121.10 1gjs h VAL 53 Ca 0.01 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.65 1gjs h VAL 53 Cb 0.87 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1gjs h VAL 53 CO 0.07 0.18 -0.41 0.11 0.02 0.00 0.00 177.57 177.54 1gjs h LYS 54 N -0.34 0.94 -0.49 1.57 1.79 -1.37 -3.12 116.57 115.56 1gjs h LYS 54 Ca -0.00 -0.51 0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1gjs h LYS 54 Cb 0.32 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1gjs h LYS 54 CO 0.01 1.16 0.32 0.00 -1.08 0.00 0.00 179.45 179.86 1gjs h ALA 55 N 0.76 1.66 -0.45 3.86 0.00 -1.19 -2.08 119.26 121.82 1gjs h ALA 55 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gjs h ALA 55 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1gjs h ALA 55 CO 0.10 0.32 0.17 1.25 0.00 0.00 0.00 179.25 181.09 1gjs h LEU 56 N 0.66 0.63 -1.01 0.00 5.85 -1.37 -1.88 115.31 118.19 1gjs h LEU 56 Ca 0.18 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1gjs h LEU 56 Cb -0.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1gjs h LEU 56 CO -0.04 0.64 0.67 0.40 -0.34 0.00 0.00 178.44 179.77 1gjs h ILE 57 N 0.59 1.26 -0.99 4.05 1.08 -1.42 0.03 117.51 122.11 1gjs h ILE 57 Ca 0.15 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1gjs h ILE 57 Cb 0.21 -0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 33.68 1gjs h ILE 57 CO -0.01 0.25 0.66 -0.78 -0.69 0.00 0.00 178.15 177.58 1gjs h ASP 58 N 1.37 1.14 -0.36 1.72 1.82 -0.83 0.57 116.42 121.85 1gjs h ASP 58 Ca 0.37 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.81 1gjs h ASP 58 Cb -0.16 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.56 1gjs h ASP 58 CO -0.08 0.83 -0.41 -0.33 -1.61 0.00 0.00 179.24 177.63 1gjs h GLU 59 N 1.35 0.92 -0.41 0.28 5.08 -0.53 -1.06 114.58 120.21 1gjs h GLU 59 Ca 0.36 -0.50 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1gjs h GLU 59 Cb -0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1gjs h GLU 59 CO -0.08 1.15 -0.34 0.82 -1.00 0.00 0.00 179.01 179.56 1gjs h ILE 60 N 0.75 1.27 -0.40 3.13 2.04 -0.27 -1.95 117.51 122.07 1gjs h ILE 60 Ca 0.05 -1.51 -0.15 0.00 1.00 0.00 0.00 64.86 64.25 1gjs h ILE 60 Cb 1.01 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1gjs h ILE 60 CO 0.10 0.51 -0.35 -0.07 0.00 0.00 0.00 178.15 178.34 1gjs h LEU 61 N 0.79 1.00 -1.15 1.44 3.38 0.19 -1.98 115.31 118.97 1gjs h LEU 61 Ca 0.07 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1gjs h LEU 61 Cb 0.94 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1gjs h LEU 61 CO 0.09 1.24 -0.37 0.00 0.09 0.00 0.00 178.44 179.48 1gjs h ALA 62 N 0.81 1.15 -2.12 1.53 0.00 -1.14 -3.31 119.26 116.18 1gjs h ALA 62 Ca 0.07 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.09 1gjs h ALA 62 Cb 0.94 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.26 1gjs h ALA 62 CO 0.09 0.46 -0.91 0.00 0.00 0.00 0.00 179.25 178.90 1gjs n ALA 63 N -2.36 3.25 -1.89 0.00 0.00 -0.74 -5.09 120.51 113.68 1gjs n ALA 63 Ca -0.01 -4.03 -0.41 0.00 0.00 0.00 0.00 53.44 48.99 1gjs n ALA 63 Cb 0.45 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1gjs n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gjs s LEU 64 N -2.46 4.45 0.00 0.00 1.43 -0.76 -4.79 118.68 116.55 1gjs s LEU 64 Ca 0.41 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1gjs s LEU 64 Cb 0.25 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1gjs s LEU 64 CO -0.09 -0.44 0.20 -2.65 0.23 0.00 0.00 176.35 173.60