#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 1.70 0.47 0.03 -2.85 -1.26 -5.13 119.74 112.70 1gjs s LYS 2 Ca 0.00 -1.29 -0.22 0.00 -1.00 0.00 0.00 55.97 53.46 1gjs s LYS 2 Cb 0.00 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.17 1gjs s LYS 2 CO 0.00 -0.73 0.73 0.00 0.10 0.00 0.00 175.35 175.45 1gjs n ALA 3 N -0.43 -0.74 -2.17 0.59 0.00 -1.26 -4.98 120.51 111.52 1gjs n ALA 3 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1gjs n ALA 3 Cb 0.61 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1gjs n ALA 3 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1gjs n ILE 4 N -1.00 0.00 -0.13 0.00 -5.35 -1.26 -4.99 119.36 106.62 1gjs n ILE 4 Ca 0.11 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.51 1gjs n ILE 4 Cb 0.42 -1.29 0.01 0.00 -1.74 0.00 0.00 39.64 37.03 1gjs n ILE 4 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1gjs h PHE 5 N -0.19 0.52 -1.54 4.28 3.57 -2.01 -3.44 116.94 118.13 1gjs h PHE 5 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1gjs h PHE 5 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1gjs h PHE 5 CO 0.00 0.33 0.00 1.55 -2.23 0.00 0.00 178.31 177.96 1gjs n VAL 6 N -4.80 0.00 -1.64 1.41 3.14 -1.26 -5.01 118.33 110.17 1gjs n VAL 6 Ca 0.01 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.01 1gjs n VAL 6 Cb 0.02 -0.50 0.05 0.00 -1.06 0.00 0.00 33.84 32.35 1gjs n VAL 6 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1gjs n LEU 7 N 0.00 3.87 -0.54 6.55 7.94 -1.26 -4.77 117.00 128.80 1gjs n LEU 7 Ca 0.00 0.87 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1gjs n LEU 7 Cb 0.00 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.53 1gjs n LEU 7 CO 0.00 -1.58 0.13 -0.46 -1.11 0.00 0.00 177.39 174.38 1gjs n ASN 8 N -0.63 0.57 -4.68 1.96 2.04 -1.26 -4.46 115.26 108.80 1gjs n ASN 8 Ca 0.13 -0.99 -0.42 0.00 -0.44 0.00 0.00 54.58 52.85 1gjs n ASN 8 Cb 0.46 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.46 1gjs n ASN 8 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1gjs n ALA 9 N 0.29 1.05 0.23 -2.53 0.00 -1.26 -4.85 120.51 113.44 1gjs n ALA 9 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.83 1gjs n ALA 9 Cb 0.13 -2.22 0.53 0.00 0.00 0.00 0.00 19.45 17.89 1gjs n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1gjs h GLN 10 N 2.21 0.00 -6.82 0.00 -0.00 -2.03 -3.44 115.11 105.03 1gjs h GLN 10 Ca -0.46 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 57.65 1gjs h GLN 10 Cb 1.30 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 28.87 1gjs h GLN 10 CO 0.61 0.24 0.86 1.58 -0.00 0.00 0.00 178.83 182.12 1gjs n HIS 11 N -3.74 2.89 -3.78 0.06 -0.00 -1.26 -5.00 115.22 104.39 1gjs n HIS 11 Ca -0.01 0.29 -0.13 0.00 0.46 0.00 0.00 57.72 58.33 1gjs n HIS 11 Cb 0.35 -2.59 -0.12 0.00 -0.12 0.00 0.00 29.99 27.51 1gjs n HIS 11 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1gjs s ASP 12 N 0.37 -0.25 -0.02 0.26 -1.08 -1.26 -5.11 116.67 109.58 1gjs s ASP 12 Ca 0.62 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.14 1gjs s ASP 12 Cb -0.49 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 41.47 1gjs s ASP 12 CO 0.52 -0.10 0.03 -0.70 0.52 0.00 0.00 175.17 175.44 1gjs s GLU 13 N 0.29 -0.03 0.00 4.34 2.12 -1.26 -5.15 118.70 119.01 1gjs s GLU 13 Ca -0.01 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1gjs s GLU 13 Cb -0.03 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.15 1gjs s GLU 13 CO -0.01 -0.14 0.00 0.00 -0.54 0.00 0.00 175.26 174.57 1gjs n ALA 14 N 4.02 0.00 -2.55 6.30 0.00 -1.26 -4.96 120.51 122.06 1gjs n ALA 14 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1gjs n ALA 14 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.00 4.76 -1.81 0.00 1.01 -1.26 -4.88 120.40 118.22 1gjs s VAL 15 Ca 0.00 0.51 0.25 0.00 0.00 0.00 0.00 61.98 62.74 1gjs s VAL 15 Cb 0.00 -4.22 0.17 0.00 0.00 0.00 0.00 36.38 32.33 1gjs s VAL 15 CO 0.00 -0.54 1.41 -0.67 0.00 0.00 0.00 175.10 175.30 1gjs n ASP 16 N 6.41 1.32 0.23 3.32 -0.08 -1.26 -3.36 116.55 123.12 1gjs n ASP 16 Ca 0.01 -1.07 -0.15 0.00 -1.51 0.00 0.00 54.79 52.07 1gjs n ASP 16 Cb 0.48 0.26 -0.08 0.00 2.34 0.00 0.00 41.12 44.12 1gjs n ASP 16 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gjs h ALA 17 N 3.72 -0.54 0.00 -1.67 0.00 -2.01 -3.07 119.26 115.69 1gjs h ALA 17 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1gjs h ALA 17 Cb 0.58 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1gjs h ALA 17 CO 0.00 -0.75 -2.03 -1.71 0.00 0.00 0.00 179.25 174.76 1gjs n ASN 18 N -5.28 0.32 -0.12 0.00 5.15 -1.26 -4.36 115.26 109.71 1gjs n ASN 18 Ca -0.11 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.76 1gjs n ASN 18 Cb 0.26 1.69 -0.03 0.00 -0.53 0.00 0.00 39.78 41.17 1gjs n ASN 18 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1gjs h SER 19 N 0.00 0.71 -0.30 1.20 0.87 -1.67 -2.01 113.55 112.35 1gjs h SER 19 Ca -0.13 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1gjs h SER 19 Cb 1.26 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1gjs h SER 19 CO 0.01 0.93 0.20 0.25 -0.53 0.00 0.00 176.83 177.68 1gjs h LEU 20 N 0.49 0.34 -0.70 2.23 5.85 -1.75 -1.35 115.31 120.42 1gjs h LEU 20 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1gjs h LEU 20 Cb 0.63 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1gjs h LEU 20 CO 0.04 0.25 0.41 0.00 -0.34 0.00 0.00 178.44 178.80 1gjs h ALA 21 N 1.11 0.90 -0.88 1.25 0.00 -1.74 -2.35 119.26 117.55 1gjs h ALA 21 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gjs h ALA 21 Cb -0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1gjs h ALA 21 CO -0.02 0.39 0.44 1.49 0.00 0.00 0.00 179.25 181.54 1gjs h GLU 22 N 0.96 1.25 -0.46 0.00 4.57 -0.97 0.93 114.58 120.86 1gjs h GLU 22 Ca 0.25 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1gjs h GLU 22 Cb -0.00 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 1gjs h GLU 22 CO -0.04 0.94 0.30 0.00 -1.18 0.00 0.00 179.01 179.03 1gjs h ALA 23 N 1.24 0.58 -0.41 2.92 0.00 -0.75 0.26 119.26 123.10 1gjs h ALA 23 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1gjs h ALA 23 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gjs h ALA 23 CO -0.04 0.03 -0.34 0.87 0.00 0.00 0.00 179.25 179.76 1gjs h LYS 24 N 0.62 0.96 -0.22 0.00 1.57 -1.03 -1.55 116.57 116.92 1gjs h LYS 24 Ca 0.17 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1gjs h LYS 24 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1gjs h LYS 24 CO -0.04 1.15 0.12 0.28 -0.57 0.00 0.00 179.45 180.38 1gjs h VAL 25 N 0.80 1.12 -0.94 0.50 2.07 -0.33 1.31 116.25 120.78 1gjs h VAL 25 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1gjs h VAL 25 Cb 0.94 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1gjs h VAL 25 CO 0.09 0.11 0.55 -0.07 0.02 0.00 0.00 177.57 178.27 1gjs h LEU 26 N 0.24 1.14 -0.15 2.57 3.38 -0.44 -1.45 115.31 120.60 1gjs h LEU 26 Ca 0.08 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1gjs h LEU 26 Cb 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1gjs h LEU 26 CO -0.01 0.89 -0.96 0.00 0.09 0.00 0.00 178.44 178.44 1gjs h ALA 27 N 1.30 0.33 -0.46 1.53 0.00 -0.86 -3.25 119.26 117.86 1gjs h ALA 27 Ca 0.33 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1gjs h ALA 27 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gjs h ALA 27 CO -0.06 0.81 0.29 -0.97 0.00 0.00 0.00 179.25 179.32 1gjs h ASN 28 N 0.24 0.53 -0.12 0.00 -0.73 0.23 -2.59 115.58 113.14 1gjs h ASN 28 Ca -0.09 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.01 1gjs h ASN 28 Cb 1.60 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 40.04 1gjs h ASN 28 CO 0.17 0.40 -0.05 0.08 -0.37 0.00 0.00 177.43 177.66 1gjs h ARG 29 N 0.62 0.38 -1.00 6.67 0.11 -1.36 -2.36 114.38 117.44 1gjs h ARG 29 Ca 0.17 -0.08 0.01 0.00 0.10 0.00 0.00 59.98 60.18 1gjs h ARG 29 Cb -0.05 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 30.93 1gjs h ARG 29 CO -0.03 0.45 0.66 0.93 0.10 0.00 0.00 179.97 182.08 1gjs h GLU 30 N 0.37 1.32 -0.47 0.08 5.08 -1.50 0.27 114.58 119.74 1gjs h GLU 30 Ca 0.08 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1gjs h GLU 30 Cb 0.33 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1gjs h GLU 30 CO 0.01 0.88 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.58 1gjs h LEU 31 N 1.36 1.03 -0.35 1.33 3.38 -1.36 -1.36 115.31 119.33 1gjs h LEU 31 Ca 0.37 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gjs h LEU 31 Cb -0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.29 1gjs h LEU 31 CO -0.08 1.21 0.23 -0.78 0.09 0.00 0.00 178.44 179.12 1gjs h ASP 32 N 0.84 0.40 -0.55 -0.43 1.82 -0.84 0.32 116.42 117.98 1gjs h ASP 32 Ca 0.10 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 1gjs h ASP 32 Cb 0.83 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 1gjs h ASP 32 CO 0.07 0.29 -0.10 0.11 -1.61 0.00 0.00 179.24 178.01 1gjs h LYS 33 N 0.48 1.05 -0.59 0.28 1.57 -0.85 -2.92 116.57 115.58 1gjs h LYS 33 Ca 0.13 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1gjs h LYS 33 Cb -0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1gjs h LYS 33 CO -0.03 1.08 -0.03 1.88 -0.57 0.00 0.00 179.45 181.78 1gjs h TYR 34 N 0.93 1.17 0.00 -1.35 0.05 -0.85 -3.47 116.97 113.45 1gjs h TYR 34 Ca 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1gjs h TYR 34 Cb 0.67 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1gjs h TYR 34 CO 0.05 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.61 1gjs n GLY 35 N -0.38 1.05 0.40 3.88 0.00 0.11 -5.07 105.19 105.18 1gjs n GLY 35 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.69 0.00 -1.96 1.61 0.24 -1.18 -4.97 118.33 109.38 1gjs n VAL 36 Ca 0.00 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.34 61.91 1gjs n VAL 36 Cb 0.27 -1.05 0.03 0.00 -1.47 0.00 0.00 33.84 31.62 1gjs n VAL 36 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1gjs s SER 37 N -1.83 5.37 0.54 -1.34 1.04 -1.26 -4.91 113.70 111.31 1gjs s SER 37 Ca 0.08 2.05 0.33 0.00 0.48 0.00 0.00 55.95 58.89 1gjs s SER 37 Cb -0.01 -2.56 1.32 0.00 0.10 0.00 0.00 66.02 64.87 1gjs s SER 37 CO 0.06 -1.45 1.97 -0.78 0.98 0.00 0.00 173.24 174.02 1gjs h ASP 38 N 0.48 0.00 -0.59 7.02 1.82 -1.99 -3.08 116.42 120.08 1gjs h ASP 38 Ca -0.48 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1gjs h ASP 38 Cb 1.25 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.23 1gjs h ASP 38 CO 0.55 0.02 0.39 0.22 -1.61 0.00 0.00 179.24 178.82 1gjs h TYR 39 N 0.00 0.74 -0.98 0.28 5.03 -2.00 -2.69 116.97 117.34 1gjs h TYR 39 Ca -0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 1gjs h TYR 39 Cb 0.53 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.51 1gjs h TYR 39 CO 0.00 0.47 0.65 1.88 -1.32 0.00 0.00 178.16 179.84 1gjs h TYR 40 N 0.80 1.24 -0.80 -3.82 0.05 -1.93 -1.72 116.97 110.80 1gjs h TYR 40 Ca 0.22 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1gjs h TYR 40 Cb -0.09 -0.42 -0.04 0.00 1.01 0.00 0.00 36.73 37.20 1gjs h TYR 40 CO -0.03 0.78 0.32 1.57 -1.05 0.00 0.00 178.16 179.75 1gjs h LYS 41 N 1.34 1.19 -0.71 4.88 2.10 -1.62 -1.54 116.57 122.20 1gjs h LYS 41 Ca 0.36 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1gjs h LYS 41 Cb -0.15 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 30.95 1gjs h LYS 41 CO -0.08 0.96 0.35 -0.91 -2.00 0.00 0.00 179.45 177.78 1gjs h ASN 42 N 1.16 0.91 -0.99 7.07 2.35 -1.19 -1.84 115.58 123.06 1gjs h ASN 42 Ca 0.27 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1gjs h ASN 42 Cb 0.21 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1gjs h ASN 42 CO -0.02 0.76 0.65 0.25 -1.65 0.00 0.00 177.43 177.42 1gjs h LEU 43 N 1.01 1.13 -1.01 1.61 5.85 -0.43 -1.46 115.31 122.01 1gjs h LEU 43 Ca 0.25 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1gjs h LEU 43 Cb 0.08 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1gjs h LEU 43 CO -0.03 0.82 0.67 0.40 -0.34 0.00 0.00 178.44 179.95 1gjs h ILE 44 N 1.34 1.26 -0.62 4.05 1.08 -0.78 -0.48 117.51 123.35 1gjs h ILE 44 Ca 0.36 -0.47 0.18 0.00 -0.39 0.00 0.00 64.86 64.54 1gjs h ILE 44 Cb -0.15 -0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.34 1gjs h ILE 44 CO -0.08 0.25 0.44 -1.13 -0.69 0.00 0.00 178.15 176.94 1gjs h ASN 45 N 1.37 0.00 -0.39 1.72 -1.24 -1.02 0.33 115.58 116.35 1gjs h ASN 45 Ca 0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1gjs h ASN 45 Cb -0.15 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1gjs h ASN 45 CO -0.08 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 172.86 1gjs n ASN 46 N -4.35 2.33 -4.69 1.15 2.85 -0.19 -4.93 115.26 107.42 1gjs n ASN 46 Ca 0.12 -2.07 -0.44 0.00 -0.11 0.00 0.00 54.58 52.07 1gjs n ASN 46 Cb 0.69 -0.31 -0.04 0.00 1.24 0.00 0.00 39.78 41.36 1gjs n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gjs n ALA 47 N 0.61 1.99 -0.02 5.20 0.00 0.11 -4.87 120.51 123.53 1gjs n ALA 47 Ca 0.13 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.97 1gjs n ALA 47 Cb 0.40 -2.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.26 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 4.12 0.65 -4.07 0.00 2.85 -1.26 -4.96 118.16 115.49 1gjs n LYS 48 Ca 0.17 0.04 -0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1gjs n LYS 48 Cb 0.32 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 32.95 1gjs n LYS 48 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1gjs s THR 49 N -2.93 0.54 0.26 0.58 -4.23 -1.26 -5.04 115.64 103.55 1gjs s THR 49 Ca -0.06 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1gjs s THR 49 Cb 0.09 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.29 1gjs s THR 49 CO 0.84 -0.40 1.63 -0.37 -0.54 0.00 0.00 174.62 175.78 1gjs h VAL 50 N 4.43 1.32 -1.00 2.29 -1.51 -1.96 -2.95 116.25 116.87 1gjs h VAL 50 Ca -0.36 -1.62 0.01 0.00 -1.23 0.00 0.00 66.70 63.51 1gjs h VAL 50 Cb 1.20 1.68 -0.05 0.00 -2.13 0.00 0.00 31.29 32.00 1gjs h VAL 50 CO 0.42 0.49 0.66 -0.33 -1.23 0.00 0.00 177.57 177.58 1gjs h GLU 51 N 0.30 1.32 0.00 5.19 5.08 -2.02 -1.10 114.58 123.36 1gjs h GLU 51 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1gjs h GLU 51 Cb 0.90 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1gjs h GLU 51 CO 0.08 0.87 -0.30 0.78 -1.00 0.00 0.00 179.01 179.44 1gjs h GLY 52 N 1.36 0.00 0.99 -3.84 0.00 -1.95 -2.80 103.07 96.83 1gjs h GLY 52 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1gjs h GLY 52 CO -0.08 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.35 1gjs h VAL 53 N 0.00 0.94 -0.10 4.60 2.07 -1.06 0.14 116.25 122.84 1gjs h VAL 53 Ca -0.00 -0.02 -0.21 0.00 0.82 0.00 0.00 66.70 67.29 1gjs h VAL 53 Cb 0.72 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1gjs h VAL 53 CO 0.04 0.00 -0.80 0.07 0.02 0.00 0.00 177.57 176.90 1gjs h LYS 54 N -0.09 0.62 0.00 1.57 2.10 -1.54 -3.16 116.57 116.07 1gjs h LYS 54 Ca -0.01 -0.53 -0.08 0.00 -2.00 0.00 0.00 60.65 58.03 1gjs h LYS 54 Cb 0.07 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1gjs h LYS 54 CO 0.01 1.15 -0.36 0.00 -2.00 0.00 0.00 179.45 178.26 1gjs h ALA 55 N 0.69 1.12 -0.46 0.07 0.00 -1.40 -2.99 119.26 116.29 1gjs h ALA 55 Ca -0.05 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1gjs h ALA 55 Cb 1.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1gjs h ALA 55 CO 0.15 0.45 -0.13 1.25 0.00 0.00 0.00 179.25 180.97 1gjs h LEU 56 N 0.00 0.91 -1.07 0.00 5.85 -0.68 -2.59 115.31 117.73 1gjs h LEU 56 Ca -0.00 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1gjs h LEU 56 Cb 0.78 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1gjs h LEU 56 CO 0.05 1.07 0.23 0.40 -0.34 0.00 0.00 178.44 179.85 1gjs h ILE 57 N 0.74 1.22 -1.01 4.05 1.08 -1.52 -1.12 117.51 120.95 1gjs h ILE 57 Ca 0.11 -0.70 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 1gjs h ILE 57 Cb 0.69 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 1gjs h ILE 57 CO 0.05 0.28 0.67 -0.78 -0.69 0.00 0.00 178.15 177.67 1gjs h ASP 58 N 0.88 1.16 -0.36 1.72 1.82 -1.36 0.42 116.42 120.70 1gjs h ASP 58 Ca 0.21 -0.03 -0.17 0.00 -0.39 0.00 0.00 57.03 56.65 1gjs h ASP 58 Cb 0.19 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 1gjs h ASP 58 CO -0.02 0.84 -0.42 -0.33 -1.61 0.00 0.00 179.24 177.71 1gjs h GLU 59 N 1.37 0.93 -0.25 0.28 4.39 -1.02 -0.64 114.58 119.63 1gjs h GLU 59 Ca 0.37 -0.51 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1gjs h GLU 59 Cb -0.16 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1gjs h GLU 59 CO -0.08 1.16 -0.06 0.82 -1.16 0.00 0.00 179.01 179.69 1gjs h ILE 60 N 0.75 1.28 -0.22 3.13 2.04 -0.39 -1.78 117.51 122.31 1gjs h ILE 60 Ca 0.05 -1.07 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 1gjs h ILE 60 Cb 1.02 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1gjs h ILE 60 CO 0.10 0.34 -0.44 -0.07 0.00 0.00 0.00 178.15 178.07 1gjs h LEU 61 N 0.23 0.58 -0.28 1.44 3.38 -0.18 -2.49 115.31 117.99 1gjs h LEU 61 Ca 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1gjs h LEU 61 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gjs h LEU 61 CO 0.03 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.50 1gjs n ALA 62 N -2.51 1.91 1.39 1.53 0.00 -0.25 -2.55 120.51 120.03 1gjs n ALA 62 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1gjs n ALA 62 Cb 0.54 -1.38 0.39 0.00 0.00 0.00 0.00 19.45 18.99 1gjs n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjs n ALA 63 N -1.68 2.53 -3.10 0.00 0.00 -0.68 -4.86 120.51 112.73 1gjs n ALA 63 Ca 0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1gjs n ALA 63 Cb 0.28 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.51 1.56 0.00 0.00 0.05 -1.06 -5.08 118.68 112.64 1gjs s LEU 64 Ca 0.30 -0.19 0.03 0.00 0.05 0.00 0.00 54.13 54.32 1gjs s LEU 64 Cb 0.16 0.66 0.20 0.00 -2.05 0.00 0.00 46.19 45.15 1gjs s LEU 64 CO 0.24 -0.36 0.68 -0.81 -0.55 0.00 0.00 176.35 175.55