#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs n LYS 2 N 0.00 0.02 0.01 0.03 -0.00 -1.26 -3.63 118.16 113.33 1gjs n LYS 2 Ca 0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.20 1gjs n LYS 2 Cb 0.00 -1.53 -0.08 0.00 -0.00 0.00 0.00 35.03 33.42 1gjs n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjs h ALA 3 N 2.96 0.02 -3.36 0.58 0.00 -2.12 -3.42 119.26 113.91 1gjs h ALA 3 Ca 0.00 -0.13 -0.66 0.00 0.00 0.00 0.00 54.91 54.12 1gjs h ALA 3 Cb 0.52 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.98 1gjs h ALA 3 CO 0.00 -0.36 -0.87 0.42 0.00 0.00 0.00 179.25 178.44 1gjs s ILE 4 N -5.20 1.95 -0.35 0.00 1.01 -1.24 -5.10 121.20 112.28 1gjs s ILE 4 Ca -0.14 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1gjs s ILE 4 Cb 0.04 -1.69 0.11 0.00 0.01 0.00 0.00 42.46 40.92 1gjs s ILE 4 CO 0.67 0.54 0.11 0.12 0.00 0.00 0.00 174.94 176.38 1gjs s PHE 5 N 0.37 2.39 0.00 3.97 5.36 -1.26 -4.24 117.98 124.57 1gjs s PHE 5 Ca -0.18 -2.26 0.00 0.00 -0.96 0.00 0.00 56.93 53.53 1gjs s PHE 5 Cb -0.18 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1gjs s PHE 5 CO 0.08 -0.88 0.00 0.28 -1.46 0.00 0.00 175.22 173.24 1gjs n VAL 6 N 4.41 0.00 0.33 3.12 0.31 -1.26 -4.84 118.33 120.40 1gjs n VAL 6 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 1gjs n VAL 6 Cb 0.40 0.36 0.62 0.00 -0.91 0.00 0.00 33.84 34.31 1gjs n VAL 6 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1gjs h LEU 7 N 0.00 0.00 -9.39 7.52 4.07 -2.00 -3.44 115.31 112.06 1gjs h LEU 7 Ca 0.00 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.33 1gjs h LEU 7 Cb 0.00 0.00 0.08 0.00 1.08 0.00 0.00 40.66 41.82 1gjs h LEU 7 CO 0.00 0.00 0.30 -3.20 -1.08 0.00 0.00 178.44 174.46 1gjs n ASN 8 N -2.75 1.55 -4.22 -0.43 5.15 -1.26 -4.97 115.26 108.32 1gjs n ASN 8 Ca 0.01 1.15 -0.27 0.00 -0.60 0.00 0.00 54.58 54.86 1gjs n ASN 8 Cb 0.27 -1.26 -0.16 0.00 -0.53 0.00 0.00 39.78 38.11 1gjs n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gjs s ALA 9 N -0.27 1.74 0.48 5.20 0.00 -1.26 -5.12 121.76 122.53 1gjs s ALA 9 Ca 0.71 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1gjs s ALA 9 Cb -0.80 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 1gjs s ALA 9 CO 0.53 0.42 1.13 -1.14 0.00 0.00 0.00 175.76 176.70 1gjs s GLN 10 N -0.48 3.68 -0.61 0.00 0.74 -1.26 -4.87 119.66 116.86 1gjs s GLN 10 Ca 0.08 1.64 -0.26 0.00 0.05 0.00 0.00 55.36 56.87 1gjs s GLN 10 Cb -0.08 -2.26 -0.07 0.00 1.10 0.00 0.00 33.01 31.70 1gjs s GLN 10 CO -0.01 -0.58 2.26 -1.58 -0.55 0.00 0.00 175.29 174.83 1gjs s HIS 11 N -1.68 1.26 -0.16 1.67 5.65 -1.26 -4.87 115.29 115.90 1gjs s HIS 11 Ca 0.66 1.42 -0.15 0.00 0.25 0.00 0.00 55.06 57.24 1gjs s HIS 11 Cb -0.25 -3.69 0.04 0.00 -1.18 0.00 0.00 32.58 27.50 1gjs s HIS 11 CO 0.30 -2.23 0.43 0.34 -0.65 0.00 0.00 174.74 172.93 1gjs s ASP 12 N 10.78 -0.45 0.01 9.88 -1.08 -1.26 -5.13 116.67 129.41 1gjs s ASP 12 Ca 0.88 0.86 -0.30 0.00 -0.52 0.00 0.00 52.55 53.47 1gjs s ASP 12 Cb -0.14 0.88 -0.03 0.00 -1.46 0.00 0.00 42.92 42.16 1gjs s ASP 12 CO 0.19 -0.16 1.01 -1.61 0.52 0.00 0.00 175.17 175.12 1gjs s GLU 13 N 0.20 4.55 0.26 4.34 2.02 -1.26 -5.01 118.70 123.79 1gjs s GLU 13 Ca -0.00 1.47 -0.29 0.00 0.02 0.00 0.00 54.97 56.16 1gjs s GLU 13 Cb -0.03 -3.44 -0.09 0.00 0.10 0.00 0.00 34.13 30.66 1gjs s GLU 13 CO 0.01 -0.07 1.17 0.00 0.02 0.00 0.00 175.26 176.39 1gjs s ALA 14 N 1.00 3.44 -0.20 5.21 0.00 -1.26 -5.01 121.76 124.94 1gjs s ALA 14 Ca 0.53 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1gjs s ALA 14 Cb -0.22 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1gjs s ALA 14 CO 0.28 -0.32 0.10 0.14 0.00 0.00 0.00 175.76 175.97 1gjs s VAL 15 N -0.78 5.09 0.44 0.00 -7.23 -1.26 -5.10 120.40 111.57 1gjs s VAL 15 Ca 0.48 0.08 0.08 0.00 -1.81 0.00 0.00 61.98 60.81 1gjs s VAL 15 Cb -0.34 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.30 1gjs s VAL 15 CO 0.42 0.43 0.57 1.51 -0.31 0.00 0.00 175.10 177.71 1gjs s ASP 16 N 0.52 5.50 -1.43 4.85 -4.77 -1.26 -4.99 116.67 115.09 1gjs s ASP 16 Ca 0.06 -0.52 -0.07 0.00 -3.30 0.00 0.00 52.55 48.71 1gjs s ASP 16 Cb -0.12 -0.53 0.04 0.00 -1.09 0.00 0.00 42.92 41.23 1gjs s ASP 16 CO 0.00 -0.82 2.58 0.00 0.70 0.00 0.00 175.17 177.64 1gjs n ALA 17 N -1.85 7.04 0.06 2.11 0.00 -1.26 -4.01 120.51 122.59 1gjs n ALA 17 Ca 0.08 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1gjs n ALA 17 Cb 0.60 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1gjs n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gjs n ASN 18 N 2.51 -1.02 -0.27 0.00 4.05 -1.26 -4.92 115.26 114.35 1gjs n ASN 18 Ca 0.68 0.24 -0.04 0.00 0.45 0.00 0.00 54.58 55.91 1gjs n ASN 18 Cb 0.25 1.26 0.11 0.00 1.23 0.00 0.00 39.78 42.62 1gjs n ASN 18 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1gjs h SER 19 N 0.00 1.04 -0.00 1.20 4.64 -1.98 0.22 113.55 118.67 1gjs h SER 19 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1gjs h SER 19 Cb 0.00 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1gjs h SER 19 CO 0.00 0.89 0.00 0.25 -0.87 0.00 0.00 176.83 177.10 1gjs h LEU 20 N 1.13 -0.00 -0.32 5.97 5.85 -1.93 0.14 115.31 126.16 1gjs h LEU 20 Ca 0.27 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 1gjs h LEU 20 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1gjs h LEU 20 CO -0.03 0.00 -0.33 0.00 -0.34 0.00 0.00 178.44 177.74 1gjs h ALA 21 N 1.00 0.47 -1.01 1.25 0.00 -1.83 -3.07 119.26 116.07 1gjs h ALA 21 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1gjs h ALA 21 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1gjs h ALA 21 CO -0.00 0.52 0.67 1.49 0.00 0.00 0.00 179.25 181.93 1gjs h GLU 22 N 0.55 1.33 -0.51 0.00 4.81 -0.35 -0.16 114.58 120.25 1gjs h GLU 22 Ca 0.05 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1gjs h GLU 22 Cb 0.92 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1gjs h GLU 22 CO 0.08 0.88 0.33 0.00 -0.73 0.00 0.00 179.01 179.57 1gjs h ALA 23 N 1.37 0.65 -0.42 2.92 0.00 -0.63 0.39 119.26 123.54 1gjs h ALA 23 Ca 0.37 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1gjs h ALA 23 Cb -0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1gjs h ALA 23 CO -0.08 0.07 -0.34 0.87 0.00 0.00 0.00 179.25 179.77 1gjs h LYS 24 N 0.67 0.97 -0.01 0.00 1.57 -1.36 0.31 116.57 118.72 1gjs h LYS 24 Ca 0.19 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1gjs h LYS 24 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1gjs h LYS 24 CO -0.06 1.14 0.00 0.28 -0.57 0.00 0.00 179.45 180.25 1gjs h VAL 25 N 0.80 1.11 -0.80 0.50 2.07 -0.48 0.64 116.25 120.09 1gjs h VAL 25 Ca 0.08 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1gjs h VAL 25 Cb 0.93 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1gjs h VAL 25 CO 0.09 0.08 0.32 -0.07 0.02 0.00 0.00 177.57 178.01 1gjs h LEU 26 N -0.12 1.11 -0.70 2.57 3.38 -0.19 -2.42 115.31 118.94 1gjs h LEU 26 Ca 0.00 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1gjs h LEU 26 Cb 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1gjs h LEU 26 CO -0.00 0.98 -0.41 0.00 0.09 0.00 0.00 178.44 179.10 1gjs h ALA 27 N 1.17 0.87 -1.01 1.53 0.00 -0.63 -2.96 119.26 118.24 1gjs h ALA 27 Ca 0.27 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1gjs h ALA 27 Cb 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1gjs h ALA 27 CO -0.02 0.64 0.67 -0.97 0.00 0.00 0.00 179.25 179.57 1gjs h ASN 28 N 0.43 1.15 0.00 0.00 -0.73 0.77 -2.27 115.58 114.94 1gjs h ASN 28 Ca 0.04 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 1gjs h ASN 28 Cb 0.91 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 1gjs h ASN 28 CO 0.08 0.83 -0.38 0.03 -0.37 0.00 0.00 177.43 177.62 1gjs h ARG 29 N 1.36 0.50 -0.83 6.67 3.08 -1.34 -2.93 114.38 120.88 1gjs h ARG 29 Ca 0.37 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1gjs h ARG 29 Cb -0.15 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1gjs h ARG 29 CO -0.08 0.80 0.55 0.93 -1.07 0.00 0.00 179.97 181.10 1gjs h GLU 30 N 0.42 1.10 0.00 0.04 5.08 -1.25 -0.82 114.58 119.14 1gjs h GLU 30 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1gjs h GLU 30 Cb 0.86 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1gjs h GLU 30 CO 0.07 0.73 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.40 1gjs h LEU 31 N 1.13 0.00 -0.68 1.33 3.38 -1.46 -2.95 115.31 116.05 1gjs h LEU 31 Ca 0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1gjs h LEU 31 Cb -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1gjs h LEU 31 CO -0.07 0.34 0.45 -0.78 0.09 0.00 0.00 178.44 178.48 1gjs h ASP 32 N 0.00 0.79 -0.39 -0.43 1.82 -0.97 1.23 116.42 118.48 1gjs h ASP 32 Ca -0.00 -0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.45 1gjs h ASP 32 Cb 0.76 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1gjs h ASP 32 CO 0.04 0.57 -0.37 0.07 -1.61 0.00 0.00 179.24 177.94 1gjs h LYS 33 N 0.92 0.94 -0.03 0.28 2.10 -1.34 -2.81 116.57 116.64 1gjs h LYS 33 Ca 0.25 -0.49 -0.11 0.00 -2.00 0.00 0.00 60.65 58.30 1gjs h LYS 33 Cb -0.10 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 1gjs h LYS 33 CO -0.05 1.15 -0.49 1.88 -2.00 0.00 0.00 179.45 179.93 1gjs h TYR 34 N 0.76 0.08 0.00 0.07 0.05 -1.34 -3.46 116.97 113.13 1gjs h TYR 34 Ca 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1gjs h TYR 34 Cb 0.97 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1gjs h TYR 34 CO 0.06 0.55 0.00 0.41 -1.05 0.00 0.00 178.16 178.13 1gjs n GLY 35 N -0.08 1.00 1.56 3.88 0.00 0.42 -4.91 105.19 107.07 1gjs n GLY 35 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.03 -0.00 1.61 0.24 -1.06 -4.45 118.33 114.69 1gjs n VAL 36 Ca 0.00 -0.90 -0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1gjs n VAL 36 Cb 0.00 -0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1gjs n VAL 36 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1gjs h SER 37 N 0.51 0.00 0.00 -1.34 0.02 -1.91 -3.38 113.55 107.46 1gjs h SER 37 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1gjs h SER 37 Cb 1.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1gjs h SER 37 CO 0.50 0.03 0.00 0.47 -1.14 0.00 0.00 176.83 176.69 1gjs n ASP 38 N -2.16 0.00 -0.08 3.07 8.00 -1.26 0.28 116.55 124.40 1gjs n ASP 38 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1gjs n ASP 38 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.36 0.00 1.24 5.03 -1.95 -2.10 116.97 119.54 1gjs h TYR 39 Ca 0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1gjs h TYR 39 Cb 0.00 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.16 1gjs h TYR 39 CO 0.00 0.23 -0.01 1.88 -1.32 0.00 0.00 178.16 178.93 1gjs h TYR 40 N 0.39 0.00 -0.41 -3.82 -1.99 -0.24 -2.55 116.97 108.34 1gjs h TYR 40 Ca 0.11 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.68 1gjs h TYR 40 Cb -0.05 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1gjs h TYR 40 CO -0.06 0.01 -0.35 1.57 -0.00 0.00 0.00 178.16 179.34 1gjs h LYS 41 N 0.00 0.96 -0.44 4.88 2.10 0.48 -2.61 116.57 121.94 1gjs h LYS 41 Ca -0.00 -0.48 -0.12 0.00 -2.00 0.00 0.00 60.65 58.05 1gjs h LYS 41 Cb 0.23 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 1gjs h LYS 41 CO 0.00 1.15 -0.19 -0.97 -2.00 0.00 0.00 179.45 177.43 1gjs h ASN 42 N 0.79 0.87 -0.96 7.07 -1.24 -1.45 -2.82 115.58 117.83 1gjs h ASN 42 Ca 0.07 -0.31 0.01 0.00 0.71 0.00 0.00 56.30 56.79 1gjs h ASN 42 Cb 0.94 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 1gjs h ASN 42 CO 0.09 1.04 0.64 0.25 -1.29 0.00 0.00 177.43 178.16 1gjs h LEU 43 N 0.75 1.10 -0.75 0.34 5.85 -1.39 -1.59 115.31 119.62 1gjs h LEU 43 Ca 0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gjs h LEU 43 Cb 0.72 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1gjs h LEU 43 CO 0.06 0.80 0.45 0.40 -0.34 0.00 0.00 178.44 179.80 1gjs h ILE 44 N 1.30 1.21 -0.21 4.05 1.08 -1.23 -1.02 117.51 122.70 1gjs h ILE 44 Ca 0.35 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.40 1gjs h ILE 44 Cb -0.15 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.76 1gjs h ILE 44 CO -0.08 0.22 0.15 -1.13 -0.69 0.00 0.00 178.15 176.62 1gjs h ASN 45 N 1.02 0.06 -0.19 1.72 -1.24 -1.09 0.15 115.58 116.01 1gjs h ASN 45 Ca 0.27 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1gjs h ASN 45 Cb -0.03 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1gjs h ASN 45 CO -0.05 0.04 0.00 0.59 -1.29 0.00 0.00 177.43 176.72 1gjs n ASN 46 N -4.49 1.20 -4.74 1.15 3.02 -0.40 -4.91 115.26 106.09 1gjs n ASN 46 Ca 0.02 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 1gjs n ASN 46 Cb 0.24 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gjs n ALA 47 N 0.10 2.72 0.36 5.41 0.00 0.52 -4.89 120.51 124.74 1gjs n ALA 47 Ca 0.11 0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.96 1gjs n ALA 47 Cb 0.21 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 1gjs n ALA 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gjs n LYS 48 N 2.70 4.45 -4.44 0.00 5.02 -1.26 -4.99 118.16 119.64 1gjs n LYS 48 Ca 0.11 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1gjs n LYS 48 Cb 0.36 -0.86 -0.14 0.00 -0.02 0.00 0.00 35.03 34.37 1gjs n LYS 48 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1gjs s THR 49 N -1.73 0.96 0.13 -0.18 -4.23 -1.26 -5.04 115.64 104.29 1gjs s THR 49 Ca 0.03 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.72 1gjs s THR 49 Cb 0.06 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1gjs s THR 49 CO 0.32 0.15 1.53 0.58 -0.54 0.00 0.00 174.62 176.66 1gjs h VAL 50 N 4.73 1.28 -1.00 2.29 2.07 -2.00 -2.37 116.25 121.24 1gjs h VAL 50 Ca -0.34 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 65.99 1gjs h VAL 50 Cb 1.17 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1gjs h VAL 50 CO 0.47 0.40 0.66 -0.33 0.02 0.00 0.00 177.57 178.80 1gjs h GLU 51 N 0.60 1.32 -0.47 1.57 3.07 -2.00 -0.55 114.58 118.12 1gjs h GLU 51 Ca 0.10 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1gjs h GLU 51 Cb 0.63 -0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1gjs h GLU 51 CO 0.04 0.88 0.22 0.78 -1.40 0.00 0.00 179.01 179.53 1gjs h GLY 52 N 1.36 0.70 0.94 -3.84 0.00 -1.91 0.25 103.07 100.58 1gjs h GLY 52 Ca 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1gjs h GLY 52 CO -0.08 0.30 -0.00 -2.08 0.00 0.00 0.00 176.54 174.68 1gjs h VAL 53 N 0.65 1.05 -0.01 4.60 2.07 -0.58 0.43 116.25 124.46 1gjs h VAL 53 Ca 0.16 -0.14 -0.23 0.00 0.82 0.00 0.00 66.70 67.32 1gjs h VAL 53 Cb 0.07 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1gjs h VAL 53 CO -0.02 0.04 -0.94 0.07 0.02 0.00 0.00 177.57 176.73 1gjs h LYS 54 N -0.06 0.48 -0.35 1.57 2.10 -1.27 -3.06 116.57 115.98 1gjs h LYS 54 Ca -0.00 -0.50 -0.15 0.00 -2.00 0.00 0.00 60.65 57.99 1gjs h LYS 54 Cb 0.06 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1gjs h LYS 54 CO 0.00 1.15 -0.39 0.00 -2.00 0.00 0.00 179.45 178.21 1gjs h ALA 55 N 0.68 0.65 -0.24 0.07 0.00 -0.41 -2.00 119.26 118.02 1gjs h ALA 55 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gjs h ALA 55 Cb 1.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1gjs h ALA 55 CO 0.17 0.67 0.16 1.25 0.00 0.00 0.00 179.25 181.50 1gjs h LEU 56 N 0.69 0.27 -1.17 0.00 5.85 -0.19 -1.47 115.31 119.30 1gjs h LEU 56 Ca 0.06 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1gjs h LEU 56 Cb 0.96 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1gjs h LEU 56 CO 0.09 0.20 0.46 0.40 -0.34 0.00 0.00 178.44 179.25 1gjs h ILE 57 N 0.32 1.21 -1.00 4.05 1.08 -1.45 -0.23 117.51 121.49 1gjs h ILE 57 Ca 0.09 -0.46 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1gjs h ILE 57 Cb -0.04 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 33.80 1gjs h ILE 57 CO -0.02 0.22 0.66 0.44 -0.69 0.00 0.00 178.15 178.76 1gjs h ASP 58 N 1.05 1.15 -0.36 1.72 3.32 -0.52 0.85 116.42 123.63 1gjs h ASP 58 Ca 0.28 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.13 1gjs h ASP 58 Cb -0.05 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 1gjs h ASP 58 CO -0.05 0.84 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.55 1gjs h GLU 59 N 1.36 0.93 -0.28 3.56 4.39 -0.33 0.37 114.58 124.58 1gjs h GLU 59 Ca 0.37 -0.51 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 1gjs h GLU 59 Cb -0.16 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1gjs h GLU 59 CO -0.08 1.16 -0.25 0.82 -1.16 0.00 0.00 179.01 179.50 1gjs h ILE 60 N 0.75 1.31 -0.01 3.13 2.04 -0.16 -2.92 117.51 121.65 1gjs h ILE 60 Ca 0.05 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.39 1gjs h ILE 60 Cb 1.02 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1gjs h ILE 60 CO 0.10 0.45 -0.49 -0.07 0.00 0.00 0.00 178.15 178.14 1gjs h LEU 61 N 0.39 0.02 -2.29 1.44 3.38 0.72 -2.31 115.31 116.67 1gjs h LEU 61 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1gjs h LEU 61 Cb 0.82 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1gjs h LEU 61 CO 0.06 0.51 -0.03 0.00 0.09 0.00 0.00 178.44 179.08 1gjs h ALA 62 N 1.49 1.11 -0.90 1.53 0.00 -0.73 -3.01 119.26 118.74 1gjs h ALA 62 Ca -0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.44 1gjs h ALA 62 Cb 0.88 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.25 1gjs h ALA 62 CO 0.07 0.04 -0.96 0.00 0.00 0.00 0.00 179.25 178.40 1gjs n ALA 63 N -2.15 4.05 -1.78 0.00 0.00 -0.90 -5.08 120.51 114.66 1gjs n ALA 63 Ca -0.02 -3.50 -0.35 0.00 0.00 0.00 0.00 53.44 49.57 1gjs n ALA 63 Cb 0.17 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 1gjs n ALA 63 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1gjs s LEU 64 N -3.54 3.76 0.00 0.00 0.05 -1.05 -5.00 118.68 112.90 1gjs s LEU 64 Ca 0.39 2.17 0.00 0.00 0.05 0.00 0.00 54.13 56.74 1gjs s LEU 64 Cb 0.39 -4.58 0.03 0.00 -2.05 0.00 0.00 46.19 39.99 1gjs s LEU 64 CO -0.03 -1.19 0.53 -0.81 -0.55 0.00 0.00 176.35 174.29