#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjs s LYS 2 N 0.00 3.81 0.38 3.17 2.20 -1.26 -4.94 119.74 123.10 1gjs s LYS 2 Ca 0.00 1.83 -0.28 0.00 -0.36 0.00 0.00 55.97 57.16 1gjs s LYS 2 Cb 0.00 -2.49 -0.11 0.00 -1.51 0.00 0.00 37.83 33.72 1gjs s LYS 2 CO 0.00 -0.52 1.50 0.00 -0.36 0.00 0.00 175.35 175.97 1gjs s ALA 3 N -1.48 3.58 -0.14 3.13 0.00 -1.26 -5.00 121.76 120.59 1gjs s ALA 3 Ca 0.62 1.60 0.02 0.00 0.00 0.00 0.00 51.96 54.20 1gjs s ALA 3 Cb -0.30 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1gjs s ALA 3 CO 0.37 -1.09 -0.20 0.42 0.00 0.00 0.00 175.76 175.26 1gjs s ILE 4 N -1.12 2.30 -0.48 0.00 1.01 -1.26 -5.08 121.20 116.57 1gjs s ILE 4 Ca 0.53 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 1gjs s ILE 4 Cb -0.47 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1gjs s ILE 4 CO 0.64 0.54 1.12 0.12 0.00 0.00 0.00 174.94 177.35 1gjs s PHE 5 N 0.71 2.81 -0.14 3.97 2.19 -1.26 -4.98 117.98 121.28 1gjs s PHE 5 Ca -0.09 0.64 -0.12 0.00 0.33 0.00 0.00 56.93 57.70 1gjs s PHE 5 Cb -0.16 -4.39 0.04 0.00 -1.31 0.00 0.00 43.02 37.20 1gjs s PHE 5 CO 0.01 -1.28 0.36 0.54 1.83 0.00 0.00 175.22 176.68 1gjs s VAL 6 N 4.41 -0.00 0.16 3.12 0.11 -1.26 -5.17 120.40 121.77 1gjs s VAL 6 Ca 0.46 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.30 1gjs s VAL 6 Cb -0.07 -0.51 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1gjs s VAL 6 CO 0.31 0.01 0.60 -1.48 -3.33 0.00 0.00 175.10 171.20 1gjs s LEU 7 N 0.36 -0.56 0.00 2.54 -0.00 -1.26 -5.05 118.68 114.71 1gjs s LEU 7 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 54.13 54.11 1gjs s LEU 7 Cb -0.03 2.60 0.00 0.00 -0.00 0.00 0.00 46.19 48.75 1gjs s LEU 7 CO -0.01 -0.97 0.03 0.59 -0.00 0.00 0.00 176.35 175.99 1gjs n ASN 8 N -0.38 0.00 0.00 1.48 5.03 -1.26 -5.01 115.26 115.12 1gjs n ASN 8 Ca -0.17 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.28 1gjs n ASN 8 Cb 0.65 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.41 1gjs n ASN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gjs n ALA 9 N 0.00 0.00 -2.11 5.41 0.00 -1.26 -4.95 120.51 117.59 1gjs n ALA 9 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1gjs n ALA 9 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 4.09 0.27 0.00 -1.52 -1.26 -5.07 119.66 116.18 1gjs s GLN 10 Ca 0.00 0.75 -0.20 0.00 -1.95 0.00 0.00 55.36 53.96 1gjs s GLN 10 Cb 0.00 -2.57 0.02 0.00 -0.22 0.00 0.00 33.01 30.24 1gjs s GLN 10 CO 0.00 0.23 0.69 -1.58 -0.25 0.00 0.00 175.29 174.38 1gjs s HIS 11 N -1.84 -0.14 0.65 0.91 2.46 -1.26 -5.00 115.29 111.06 1gjs s HIS 11 Ca 0.51 -0.30 0.34 0.00 0.47 0.00 0.00 55.06 56.08 1gjs s HIS 11 Cb -0.12 0.65 1.85 0.00 -0.13 0.00 0.00 32.58 34.82 1gjs s HIS 11 CO 0.18 -1.20 2.08 0.22 -2.47 0.00 0.00 174.74 173.56 1gjs h ASP 12 N 2.03 0.00 -2.66 9.88 1.82 -2.04 -3.42 116.42 122.03 1gjs h ASP 12 Ca -0.20 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 55.84 1gjs h ASP 12 Cb 1.25 0.00 0.11 0.00 0.68 0.00 0.00 39.33 41.37 1gjs h ASP 12 CO 0.25 0.00 0.22 -1.84 -1.61 0.00 0.00 179.24 176.26 1gjs n GLU 13 N -3.19 1.53 0.13 0.28 0.28 -1.26 -4.86 120.64 113.55 1gjs n GLU 13 Ca -0.01 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1gjs n GLU 13 Cb 0.30 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.21 1gjs n GLU 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gjs n ALA 14 N 0.28 2.90 -3.56 -1.84 0.00 -1.26 -5.07 120.51 111.95 1gjs n ALA 14 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1gjs n ALA 14 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 1gjs n ALA 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gjs s VAL 15 N -2.00 2.98 -0.08 0.00 1.01 -1.26 -5.11 120.40 115.94 1gjs s VAL 15 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1gjs s VAL 15 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1gjs s VAL 15 CO 0.00 0.47 -0.03 1.51 0.00 0.00 0.00 175.10 177.06 1gjs s ASP 16 N 1.20 4.99 0.00 3.32 -4.77 -1.26 -4.99 116.67 115.16 1gjs s ASP 16 Ca 0.02 0.06 0.24 0.00 -3.30 0.00 0.00 52.55 49.58 1gjs s ASP 16 Cb -0.14 -1.38 0.43 0.00 -1.09 0.00 0.00 42.92 40.73 1gjs s ASP 16 CO -0.04 0.36 1.40 0.00 0.70 0.00 0.00 175.17 177.58 1gjs n ALA 17 N 2.28 2.47 -0.99 2.11 0.00 -1.26 -3.93 120.51 121.18 1gjs n ALA 17 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1gjs n ALA 17 Cb 0.53 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.15 0.00 -0.38 0.00 5.15 -1.26 -3.50 115.26 116.43 1gjs n ASN 18 Ca 0.17 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.13 1gjs n ASN 18 Cb 0.55 -0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.90 1gjs n ASN 18 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1gjs h SER 19 N 0.00 1.15 0.27 1.20 0.02 -1.98 0.41 113.55 114.63 1gjs h SER 19 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1gjs h SER 19 Cb 0.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1gjs h SER 19 CO 0.00 0.84 -0.13 0.25 -1.14 0.00 0.00 176.83 176.65 1gjs h LEU 20 N 1.36 -0.31 -0.83 5.07 7.12 -1.81 -0.51 115.31 125.40 1gjs h LEU 20 Ca 0.37 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.31 1gjs h LEU 20 Cb -0.15 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 1gjs h LEU 20 CO -0.08 -0.22 0.08 0.00 -0.13 0.00 0.00 178.44 178.09 1gjs h ALA 21 N 0.36 1.03 -1.01 1.25 0.00 -1.51 -2.73 119.26 116.66 1gjs h ALA 21 Ca -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1gjs h ALA 21 Cb 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1gjs h ALA 21 CO 0.06 0.61 0.66 1.49 0.00 0.00 0.00 179.25 182.08 1gjs h GLU 22 N 0.90 1.33 -0.37 0.00 4.81 0.19 0.13 114.58 121.57 1gjs h GLU 22 Ca 0.18 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1gjs h GLU 22 Cb 0.42 -0.30 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1gjs h GLU 22 CO 0.01 0.88 0.23 0.00 -0.73 0.00 0.00 179.01 179.40 1gjs h ALA 23 N 1.37 0.46 -0.43 2.92 0.00 -0.78 0.41 119.26 123.21 1gjs h ALA 23 Ca 0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1gjs h ALA 23 Cb -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1gjs h ALA 23 CO -0.08 -0.10 -0.31 0.87 0.00 0.00 0.00 179.25 179.63 1gjs h LYS 24 N 0.47 0.97 0.00 0.00 1.57 -1.35 -0.94 116.57 117.30 1gjs h LYS 24 Ca 0.14 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1gjs h LYS 24 Cb -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1gjs h LYS 24 CO -0.04 1.14 -0.00 0.28 -0.57 0.00 0.00 179.45 180.25 1gjs h VAL 25 N 0.81 1.13 -0.80 0.50 2.07 -0.26 0.70 116.25 120.39 1gjs h VAL 25 Ca 0.08 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1gjs h VAL 25 Cb 0.90 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1gjs h VAL 25 CO 0.08 0.10 0.44 -0.07 0.02 0.00 0.00 177.57 178.15 1gjs h LEU 26 N -0.17 1.00 -0.35 2.57 3.38 -0.17 -0.61 115.31 120.96 1gjs h LEU 26 Ca -0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1gjs h LEU 26 Cb 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1gjs h LEU 26 CO 0.00 0.81 -0.37 0.00 0.09 0.00 0.00 178.44 178.96 1gjs h ALA 27 N 1.23 0.52 -1.01 1.53 0.00 -0.94 -2.87 119.26 117.72 1gjs h ALA 27 Ca 0.28 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1gjs h ALA 27 Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1gjs h ALA 27 CO -0.05 0.61 0.67 -0.97 0.00 0.00 0.00 179.25 179.51 1gjs h ASN 28 N 0.67 1.16 -0.97 0.00 -0.73 0.82 -1.82 115.58 114.70 1gjs h ASN 28 Ca 0.05 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1gjs h ASN 28 Cb 0.97 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 39.22 1gjs h ASN 28 CO 0.09 0.84 0.61 0.03 -0.37 0.00 0.00 177.43 178.63 1gjs h ARG 29 N 1.37 1.30 -0.09 6.67 2.47 -0.97 -0.42 114.38 124.70 1gjs h ARG 29 Ca 0.37 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1gjs h ARG 29 Cb -0.16 -0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 27.88 1gjs h ARG 29 CO -0.08 0.89 0.06 1.49 0.56 0.00 0.00 179.97 182.89 1gjs h GLU 30 N 1.33 0.12 -0.68 0.04 4.57 -1.12 -0.56 114.58 118.28 1gjs h GLU 30 Ca 0.35 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1gjs h GLU 30 Cb -0.10 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1gjs h GLU 30 CO -0.07 0.08 0.27 -0.07 -1.18 0.00 0.00 179.01 178.03 1gjs h LEU 31 N 0.12 0.92 -1.04 1.64 3.38 -1.20 -2.00 115.31 117.12 1gjs h LEU 31 Ca 0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1gjs h LEU 31 Cb -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1gjs h LEU 31 CO -0.01 0.82 0.65 -0.78 0.09 0.00 0.00 178.44 179.21 1gjs h ASP 32 N 0.98 1.12 -0.09 -0.43 1.82 -0.50 0.80 116.42 120.12 1gjs h ASP 32 Ca 0.23 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1gjs h ASP 32 Cb 0.19 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 1gjs h ASP 32 CO -0.02 0.81 0.06 0.50 -1.61 0.00 0.00 179.24 178.99 1gjs h LYS 33 N 1.33 0.13 -0.73 0.28 3.64 -0.36 -2.55 116.57 118.31 1gjs h LYS 33 Ca 0.36 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1gjs h LYS 33 Cb -0.15 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1gjs h LYS 33 CO -0.08 0.09 0.20 1.88 -2.27 0.00 0.00 179.45 179.27 1gjs h TYR 34 N 0.12 1.21 0.00 1.91 0.05 -1.21 -3.47 116.97 115.58 1gjs h TYR 34 Ca 0.03 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.68 1gjs h TYR 34 Cb -0.01 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.39 1gjs h TYR 34 CO -0.07 0.96 0.00 0.41 -1.05 0.00 0.00 178.16 178.41 1gjs n GLY 35 N -0.70 0.89 3.50 3.88 0.00 0.23 -5.07 105.19 107.91 1gjs n GLY 35 Ca 0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1gjs n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gjs n VAL 36 N -2.19 0.00 -1.61 1.61 3.14 -1.20 -4.88 118.33 113.21 1gjs n VAL 36 Ca 0.00 -0.25 -0.37 0.00 -2.96 0.00 0.00 64.34 60.76 1gjs n VAL 36 Cb 0.00 -0.89 0.06 0.00 -1.06 0.00 0.00 33.84 31.95 1gjs n VAL 36 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1gjs n SER 37 N -3.77 0.79 0.00 6.55 7.64 -1.26 -4.82 113.62 118.74 1gjs n SER 37 Ca 0.06 0.78 0.07 0.00 1.01 0.00 0.00 58.87 60.80 1gjs n SER 37 Cb 0.54 -1.40 0.38 0.00 -1.01 0.00 0.00 64.21 62.72 1gjs n SER 37 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gjs n ASP 38 N -0.97 0.00 -0.01 6.43 5.75 -1.26 -3.22 116.55 123.28 1gjs n ASP 38 Ca 0.14 0.09 -0.11 0.00 -0.01 0.00 0.00 54.79 54.90 1gjs n ASP 38 Cb 0.48 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1gjs n ASP 38 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1gjs h TYR 39 N 0.00 0.13 -1.01 2.11 5.03 -1.99 0.03 116.97 121.28 1gjs h TYR 39 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1gjs h TYR 39 Cb 0.15 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 1gjs h TYR 39 CO 0.00 0.08 0.67 1.88 -1.32 0.00 0.00 178.16 179.47 1gjs h TYR 40 N 0.14 1.27 -0.49 -3.82 0.05 -1.92 0.54 116.97 112.74 1gjs h TYR 40 Ca 0.04 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 1gjs h TYR 40 Cb -0.01 -0.43 -0.01 0.00 1.01 0.00 0.00 36.73 37.29 1gjs h TYR 40 CO -0.07 0.80 -0.22 0.87 -1.05 0.00 0.00 178.16 178.49 1gjs h LYS 41 N 1.37 1.00 -0.91 4.88 1.57 -1.66 -2.07 116.57 120.75 1gjs h LYS 41 Ca 0.37 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1gjs h LYS 41 Cb -0.16 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1gjs h LYS 41 CO -0.08 1.11 0.50 -0.91 -0.57 0.00 0.00 179.45 179.50 1gjs h ASN 42 N 0.86 1.13 -0.90 0.86 2.35 -0.30 -1.45 115.58 118.14 1gjs h ASN 42 Ca 0.11 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1gjs h ASN 42 Cb 0.80 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 1gjs h ASN 42 CO 0.07 0.91 0.56 0.25 -1.65 0.00 0.00 177.43 177.56 1gjs h LEU 43 N 1.27 1.07 -0.59 1.61 5.85 -0.51 -2.15 115.31 121.85 1gjs h LEU 43 Ca 0.32 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1gjs h LEU 43 Cb 0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1gjs h LEU 43 CO -0.05 0.81 0.26 0.40 -0.34 0.00 0.00 178.44 179.52 1gjs h ILE 44 N 1.23 1.22 -0.74 4.05 2.04 -0.62 -1.26 117.51 123.43 1gjs h ILE 44 Ca 0.32 -0.65 0.21 0.00 1.00 0.00 0.00 64.86 65.75 1gjs h ILE 44 Cb -0.08 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1gjs h ILE 44 CO -0.06 0.26 0.62 0.78 0.00 0.00 0.00 178.15 179.74 1gjs h ASN 45 N 0.82 0.00 -0.58 1.72 -0.26 -0.63 1.34 115.58 117.98 1gjs h ASN 45 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1gjs h ASN 45 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1gjs h ASN 45 CO -0.02 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.94 1gjs n ASN 46 N -4.00 4.05 -4.78 5.81 5.03 -0.49 -4.97 115.26 115.91 1gjs n ASN 46 Ca 0.15 -2.30 -0.41 0.00 0.87 0.00 0.00 54.58 52.89 1gjs n ASN 46 Cb 0.88 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gjs n ALA 47 N 1.05 2.42 -0.88 5.41 0.00 0.46 -4.91 120.51 124.07 1gjs n ALA 47 Ca 0.22 0.34 0.08 0.00 0.00 0.00 0.00 53.44 54.08 1gjs n ALA 47 Cb 0.74 -2.43 0.16 0.00 0.00 0.00 0.00 19.45 17.92 1gjs n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1gjs n LYS 48 N 0.42 2.00 -3.71 0.00 2.85 -1.26 -5.03 118.16 113.44 1gjs n LYS 48 Ca 0.01 -2.49 -0.10 0.00 -1.05 0.00 0.00 58.31 54.68 1gjs n LYS 48 Cb 0.39 -1.52 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 1gjs n LYS 48 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gjs s THR 49 N -2.54 0.09 -0.01 0.58 2.01 -1.26 -5.06 115.64 109.44 1gjs s THR 49 Ca 0.30 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1gjs s THR 49 Cb 0.25 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1gjs s THR 49 CO 0.05 -0.42 -0.00 0.58 -0.69 0.00 0.00 174.62 174.14 1gjs h VAL 50 N 2.56 0.00 -0.07 3.82 2.07 -2.00 -3.25 116.25 119.38 1gjs h VAL 50 Ca -0.34 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1gjs h VAL 50 Cb 1.23 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1gjs h VAL 50 CO 0.49 0.00 0.07 1.05 0.02 0.00 0.00 177.57 179.20 1gjs h GLU 51 N -0.11 0.00 0.00 1.57 9.09 -2.01 0.16 114.58 123.29 1gjs h GLU 51 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1gjs h GLU 51 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1gjs h GLU 51 CO 0.00 0.00 -0.12 0.78 0.05 0.00 0.00 179.01 179.72 1gjs h GLY 52 N 0.00 0.00 0.58 1.06 0.00 -1.98 -1.66 103.07 101.07 1gjs h GLY 52 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1gjs h GLY 52 CO -0.00 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.42 1gjs h VAL 53 N 0.00 1.14 -0.00 4.60 2.07 -0.69 -2.62 116.25 120.73 1gjs h VAL 53 Ca -0.00 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 1gjs h VAL 53 Cb 0.24 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1gjs h VAL 53 CO 0.02 0.22 -0.50 0.07 0.02 0.00 0.00 177.57 177.40 1gjs h LYS 54 N -0.54 0.01 -0.04 1.57 2.10 -1.58 -2.91 116.57 115.18 1gjs h LYS 54 Ca -0.01 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 1gjs h LYS 54 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1gjs h LYS 54 CO 0.02 0.50 -0.41 0.00 -2.00 0.00 0.00 179.45 177.56 1gjs h ALA 55 N 1.50 1.25 -0.02 0.07 0.00 -1.30 -2.86 119.26 117.89 1gjs h ALA 55 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1gjs h ALA 55 Cb 0.88 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1gjs h ALA 55 CO 0.07 0.54 0.01 1.25 0.00 0.00 0.00 179.25 181.12 1gjs h LEU 56 N 0.07 0.01 -1.30 0.00 5.85 -1.26 -1.75 115.31 116.94 1gjs h LEU 56 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1gjs h LEU 56 Cb 0.76 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1gjs h LEU 56 CO 0.06 0.01 0.47 0.40 -0.34 0.00 0.00 178.44 179.04 1gjs h ILE 57 N 0.02 1.18 -1.01 4.05 5.03 -1.60 -0.14 117.51 125.04 1gjs h ILE 57 Ca 0.01 -0.34 0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1gjs h ILE 57 Cb 0.00 0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 33.88 1gjs h ILE 57 CO -0.01 0.18 0.67 0.44 -0.68 0.00 0.00 178.15 178.75 1gjs h ASP 58 N 0.97 1.15 -0.35 1.72 3.32 -1.13 0.74 116.42 122.84 1gjs h ASP 58 Ca 0.26 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.11 1gjs h ASP 58 Cb -0.11 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.15 1gjs h ASP 58 CO -0.06 0.83 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.52 1gjs h GLU 59 N 1.36 0.92 -0.37 3.56 5.08 -0.40 -0.47 114.58 124.27 1gjs h GLU 59 Ca 0.37 -0.52 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 1gjs h GLU 59 Cb -0.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1gjs h GLU 59 CO -0.08 1.17 -0.39 0.82 -1.00 0.00 0.00 179.01 179.53 1gjs h ILE 60 N 0.72 1.27 0.00 3.13 2.04 -0.22 -2.81 117.51 121.65 1gjs h ILE 60 Ca 0.04 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1gjs h ILE 60 Cb 1.05 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1gjs h ILE 60 CO 0.11 0.52 -0.01 0.18 0.00 0.00 0.00 178.15 178.95 1gjs n LEU 61 N -4.08 0.08 0.03 1.44 4.77 0.25 -3.64 117.00 115.86 1gjs n LEU 61 Ca -0.03 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1gjs n LEU 61 Cb 0.55 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1gjs n LEU 61 CO 0.48 -0.01 0.87 0.00 -1.33 0.00 0.00 177.39 177.40 1gjs h ALA 62 N 2.96 0.01 -0.03 -1.18 0.00 -0.79 -2.86 119.26 117.37 1gjs h ALA 62 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gjs h ALA 62 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1gjs h ALA 62 CO 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 179.25 178.78 1gjs h ALA 63 N 1.00 0.04 -2.53 0.00 0.00 -1.68 -3.42 119.26 112.68 1gjs h ALA 63 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1gjs h ALA 63 Cb 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.83 1gjs h ALA 63 CO -0.00 -0.45 0.43 -0.51 0.00 0.00 0.00 179.25 178.72 1gjs s LEU 64 N -10.13 3.91 0.00 0.00 1.43 -1.08 -5.19 118.68 107.61 1gjs s LEU 64 Ca -0.13 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1gjs s LEU 64 Cb 0.06 -4.42 0.07 0.00 0.03 0.00 0.00 46.19 41.93 1gjs s LEU 64 CO 0.67 -0.89 0.56 -0.81 0.23 0.00 0.00 176.35 176.11