#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxx s VAL 2 N 0.00 3.84 -0.20 3.15 1.01 -1.26 0.12 120.40 127.05 1gxx s VAL 2 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 1gxx s VAL 2 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1gxx s VAL 2 CO 0.00 -0.26 0.09 -0.36 0.00 0.00 0.00 175.10 174.57 1gxx s PHE 3 N -2.25 0.32 1.03 5.22 0.08 0.52 -4.91 117.98 117.99 1gxx s PHE 3 Ca 0.37 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 1gxx s PHE 3 Cb -0.06 -0.78 0.21 0.00 -0.57 0.00 0.00 43.02 41.81 1gxx s PHE 3 CO 0.25 -0.59 1.08 0.20 -0.10 0.00 0.00 175.22 176.06 1gxx s GLY 4 N 2.10 1.56 0.03 4.36 0.00 -1.26 -4.61 107.32 109.50 1gxx s GLY 4 Ca 0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 44.72 44.34 1gxx s GLY 4 CO -0.15 0.32 1.16 -0.09 0.00 0.00 0.00 173.10 174.33 1gxx h ARG 5 N -2.03 -0.22 -0.48 2.90 2.43 -1.98 0.27 114.38 115.27 1gxx h ARG 5 Ca -0.56 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 1gxx h ARG 5 Cb 1.33 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.87 1gxx h ARG 5 CO 0.56 -0.15 0.13 0.00 -1.51 0.00 0.00 179.97 179.01 1gxx h GLU 7 N 0.28 -0.60 -0.97 0.00 4.81 -1.88 0.20 114.58 116.41 1gxx h GLU 7 Ca 0.24 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1gxx h GLU 7 Cb 0.29 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1gxx h GLU 7 CO -0.28 -0.40 0.62 1.25 -0.73 0.00 0.00 179.01 179.47 1gxx h LEU 8 N -0.62 0.93 -0.08 1.64 5.85 0.07 0.31 115.31 123.40 1gxx h LEU 8 Ca -0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1gxx h LEU 8 Cb 0.56 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1gxx h LEU 8 CO -0.05 0.54 0.04 0.00 -0.34 0.00 0.00 178.44 178.63 1gxx h ALA 9 N 1.52 0.11 -0.53 1.25 0.00 0.16 0.95 119.26 122.71 1gxx h ALA 9 Ca 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1gxx h ALA 9 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1gxx h ALA 9 CO -0.21 -0.34 0.28 0.00 0.00 0.00 0.00 179.25 178.98 1gxx h ALA 10 N 0.92 0.67 0.54 0.00 0.00 -0.05 -0.58 119.26 120.78 1gxx h ALA 10 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1gxx h ALA 10 Cb 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gxx h ALA 10 CO -0.00 0.20 -0.26 0.00 0.00 0.00 0.00 179.25 179.19 1gxx h ALA 11 N 1.12 -0.73 -0.51 0.00 0.00 -0.01 0.12 119.26 119.25 1gxx h ALA 11 Ca 0.18 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1gxx h ALA 11 Cb 0.06 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1gxx h ALA 11 CO -0.03 -0.87 0.39 0.52 0.00 0.00 0.00 179.25 179.26 1gxx h MET 12 N -0.79 0.00 0.02 0.00 2.86 0.11 -0.71 114.93 116.42 1gxx h MET 12 Ca -0.07 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1gxx h MET 12 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1gxx h MET 12 CO 0.12 0.00 -0.17 -0.22 1.06 0.00 0.00 176.91 177.71 1gxx h LYS 13 N 0.00 0.08 -0.08 1.72 3.64 -0.46 0.42 116.57 121.89 1gxx h LYS 13 Ca 0.24 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1gxx h LYS 13 Cb 1.03 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1gxx h LYS 13 CO -0.00 0.96 0.10 -0.09 -2.27 0.00 0.00 179.45 178.15 1gxx h ARG 14 N -0.74 0.00 0.00 1.90 1.12 0.06 0.17 114.38 116.88 1gxx h ARG 14 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1gxx h ARG 14 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 1gxx h ARG 14 CO 0.03 0.00 -0.81 0.45 -3.11 0.00 0.00 179.97 176.54 1gxx h HIS 15 N 0.00 0.00 -2.17 2.20 3.86 -1.16 -3.48 115.15 114.41 1gxx h HIS 15 Ca 0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1gxx h HIS 15 Cb 0.24 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.72 1gxx h HIS 15 CO 0.00 0.00 -0.06 0.41 0.86 0.00 0.00 177.93 179.14 1gxx n GLY 16 N 1.23 0.44 0.07 2.45 0.00 0.59 -4.98 105.19 104.99 1gxx n GLY 16 Ca 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1gxx n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gxx n LEU 17 N -1.19 0.27 -4.58 0.99 4.77 0.14 -4.59 117.00 112.81 1gxx n LEU 17 Ca -0.02 -0.01 -0.45 0.00 -0.03 0.00 0.00 56.01 55.50 1gxx n LEU 17 Cb 0.51 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1gxx n LEU 17 CO 0.05 0.39 1.77 -0.67 -1.33 0.00 0.00 177.39 177.60 1gxx n ASP 18 N -2.57 3.13 -0.03 -1.43 2.03 -1.21 0.06 116.55 116.53 1gxx n ASP 18 Ca -0.24 0.43 -0.00 0.00 0.52 0.00 0.00 54.79 55.49 1gxx n ASP 18 Cb 0.95 -1.46 -0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1gxx n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1gxx n ASN 19 N 10.18 -3.80 -4.63 1.67 3.02 -0.47 -4.85 115.26 116.39 1gxx n ASN 19 Ca 0.31 0.01 -0.47 0.00 -0.03 0.00 0.00 54.58 54.40 1gxx n ASN 19 Cb 0.37 -1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 1gxx n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gxx n TYR 20 N -2.74 2.17 -1.41 3.10 9.36 0.11 0.11 117.16 127.86 1gxx n TYR 20 Ca -0.00 -0.05 -0.15 0.00 3.32 0.00 0.00 57.90 61.02 1gxx n TYR 20 Cb 0.14 -2.68 -0.06 0.00 -0.63 0.00 0.00 39.34 36.10 1gxx n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gxx n ARG 21 N 7.47 -1.50 0.00 2.98 1.74 -1.26 -0.29 116.66 125.81 1gxx n ARG 21 Ca 0.27 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 1gxx n ARG 21 Cb 0.33 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 1gxx n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gxx n GLY 22 N -0.13 2.66 3.54 -0.13 0.00 0.29 -4.99 105.19 106.44 1gxx n GLY 22 Ca -0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1gxx n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gxx n TYR 23 N 0.00 0.92 -1.32 1.61 4.01 0.61 -4.43 117.16 118.56 1gxx n TYR 23 Ca 0.00 -0.08 -0.32 0.00 -0.16 0.00 0.00 57.90 57.33 1gxx n TYR 23 Cb 0.00 -2.41 0.09 0.00 -0.31 0.00 0.00 39.34 36.72 1gxx n TYR 23 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1gxx s SER 24 N 8.71 4.29 0.45 7.72 1.04 -1.26 -1.36 113.70 133.29 1gxx s SER 24 Ca 0.85 2.06 0.25 0.00 0.48 0.00 0.00 55.95 59.58 1gxx s SER 24 Cb -0.12 -2.55 1.26 0.00 0.10 0.00 0.00 66.02 64.71 1gxx s SER 24 CO 0.15 -2.19 1.80 -0.07 0.98 0.00 0.00 173.24 173.92 1gxx h LEU 25 N -0.79 0.27 -0.85 2.42 3.38 -1.89 0.27 115.31 118.13 1gxx h LEU 25 Ca -0.45 0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.68 1gxx h LEU 25 Cb 1.26 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1gxx h LEU 25 CO 0.50 0.06 0.48 1.23 0.09 0.00 0.00 178.44 180.80 1gxx h GLY 26 N 0.24 1.34 0.62 0.83 0.00 -1.85 1.86 103.07 106.11 1gxx h GLY 26 Ca 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1gxx h GLY 26 CO -0.17 0.09 -0.06 3.43 0.00 0.00 0.00 176.54 179.82 1gxx h ASN 27 N 0.77 0.17 -0.13 0.19 2.35 -0.75 -0.03 115.58 118.14 1gxx h ASN 27 Ca 0.42 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1gxx h ASN 27 Cb 0.45 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1gxx h ASN 27 CO -0.28 0.61 0.06 -0.50 -1.65 0.00 0.00 177.43 175.67 1gxx h TRP 28 N -0.27 0.18 0.40 1.19 -0.00 -0.76 0.27 115.95 116.96 1gxx h TRP 28 Ca 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1gxx h TRP 28 Cb 0.56 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.67 1gxx h TRP 28 CO 0.09 0.25 -0.19 0.28 -0.00 0.00 0.00 178.44 178.87 1gxx h VAL 29 N 0.06 0.60 -0.46 1.49 2.07 0.28 0.36 116.25 120.65 1gxx h VAL 29 Ca 0.04 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1gxx h VAL 29 Cb 0.14 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 1gxx h VAL 29 CO -0.00 0.06 -0.20 0.00 0.02 0.00 0.00 177.57 177.45 1gxx h ALA 31 N 1.24 -1.35 -0.80 0.00 0.00 -0.79 -2.81 119.26 114.75 1gxx h ALA 31 Ca 0.22 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gxx h ALA 31 Cb 0.44 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1gxx h ALA 31 CO -0.53 -1.26 0.53 0.00 0.00 0.00 0.00 179.25 177.99 1gxx h ALA 32 N -1.34 1.49 -0.00 0.00 0.00 0.17 -0.80 119.26 118.78 1gxx h ALA 32 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gxx h ALA 32 Cb 1.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1gxx h ALA 32 CO 0.20 0.44 -0.05 -0.22 0.00 0.00 0.00 179.25 179.62 1gxx h LYS 33 N 1.02 -0.06 0.00 0.00 1.63 0.35 0.62 116.57 120.12 1gxx h LYS 33 Ca 0.31 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1gxx h LYS 33 Cb -0.00 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1gxx h LYS 33 CO -0.09 -0.04 -0.15 0.74 -3.45 0.00 0.00 179.45 176.46 1gxx h PHE 34 N -0.07 0.00 0.35 1.91 0.04 -1.49 0.26 116.94 117.94 1gxx h PHE 34 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1gxx h PHE 34 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1gxx h PHE 34 CO -0.39 0.15 -0.17 0.93 -0.60 0.00 0.00 178.31 178.23 1gxx h GLU 35 N 0.00 -0.45 0.00 1.51 4.39 -0.78 -3.42 114.58 115.83 1gxx h GLU 35 Ca -0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1gxx h GLU 35 Cb 0.80 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1gxx h GLU 35 CO 0.02 -0.30 0.00 -1.13 -1.16 0.00 0.00 179.01 176.44 1gxx n SER 36 N -4.82 0.52 -3.48 1.42 3.41 0.26 -4.97 113.62 105.96 1gxx n SER 36 Ca -0.06 -0.94 -0.19 0.00 -0.26 0.00 0.00 58.87 57.41 1gxx n SER 36 Cb 0.18 0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.26 1gxx n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gxx n ASN 37 N -0.04 -3.62 -3.56 4.04 5.15 0.19 -3.09 115.26 114.32 1gxx n ASN 37 Ca 0.00 -0.59 -0.23 0.00 -0.60 0.00 0.00 54.58 53.17 1gxx n ASN 37 Cb 0.10 -5.07 0.02 0.00 -0.53 0.00 0.00 39.78 34.30 1gxx n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1gxx n PHE 38 N -4.44 -2.19 -3.96 1.20 3.72 -1.20 -4.72 117.46 105.87 1gxx n PHE 38 Ca -0.18 0.70 -0.16 0.00 -0.05 0.00 0.00 57.45 57.76 1gxx n PHE 38 Cb 0.63 -3.43 -0.15 0.00 -0.94 0.00 0.00 39.48 35.58 1gxx n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1gxx s ASN 39 N -3.24 0.36 -0.22 4.37 3.84 -1.18 -0.35 114.94 118.52 1gxx s ASN 39 Ca 0.25 -0.03 0.03 0.00 0.21 0.00 0.00 52.86 53.32 1gxx s ASN 39 Cb -0.09 -0.14 0.36 0.00 -0.55 0.00 0.00 41.25 40.83 1gxx s ASN 39 CO 0.84 -0.05 1.43 0.35 -2.79 0.00 0.00 177.10 176.88 1gxx n THR 40 N 3.70 2.04 0.00 -5.21 -2.24 0.32 -3.76 114.28 109.12 1gxx n THR 40 Ca -0.21 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 1gxx n THR 40 Cb 0.54 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1gxx n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gxx n GLN 41 N -0.24 0.00 -1.53 -0.78 6.02 -1.26 -4.25 117.38 115.33 1gxx n GLN 41 Ca 0.29 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.97 1gxx n GLN 41 Cb 1.05 -0.50 -0.09 0.00 1.02 0.00 0.00 30.24 31.72 1gxx n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gxx n ALA 42 N -0.71 0.61 -2.83 -1.58 0.00 -1.26 -4.89 120.51 109.85 1gxx n ALA 42 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 1gxx n ALA 42 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 19.45 16.51 1gxx n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gxx s THR 43 N 10.53 5.32 0.46 0.00 -4.23 -1.26 -4.75 115.64 121.70 1gxx s THR 43 Ca 1.11 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 61.48 1gxx s THR 43 Cb -0.52 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 1gxx s THR 43 CO 0.32 0.16 0.12 0.20 -0.54 0.00 0.00 174.62 174.87 1gxx s ASN 44 N -2.34 4.23 -0.03 3.99 0.01 -0.93 -5.01 114.94 114.87 1gxx s ASN 44 Ca 0.35 -1.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.17 1gxx s ASN 44 Cb -0.13 -0.06 0.02 0.00 0.41 0.00 0.00 41.25 41.49 1gxx s ASN 44 CO 0.25 -0.68 -0.01 -0.60 -1.51 0.00 0.00 177.10 174.54 1gxx s ARG 45 N -3.90 0.37 -0.18 -0.60 6.06 -1.26 -2.60 118.95 116.84 1gxx s ARG 45 Ca 0.29 0.01 -0.09 0.00 -2.50 0.00 0.00 55.73 53.43 1gxx s ARG 45 Cb 0.04 -0.48 -0.05 0.00 0.06 0.00 0.00 34.95 34.52 1gxx s ARG 45 CO 0.16 -0.08 0.13 -0.80 -2.50 0.00 0.00 175.30 172.21 1gxx s ASN 46 N 0.75 6.24 0.17 -2.12 -0.87 0.07 -4.95 114.94 114.23 1gxx s ASN 46 Ca -0.08 0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 51.40 1gxx s ASN 46 Cb -0.11 -2.08 0.06 0.00 -0.02 0.00 0.00 41.25 39.10 1gxx s ASN 46 CO -0.01 0.24 1.64 0.71 -2.57 0.00 0.00 177.10 177.11 1gxx h THR 47 N 4.50 1.26 -1.40 1.60 1.35 -2.01 -2.90 112.91 115.31 1gxx h THR 47 Ca -0.44 -1.10 0.44 0.00 -0.55 0.00 0.00 66.41 64.75 1gxx h THR 47 Cb 1.17 0.81 -0.11 0.00 -1.73 0.00 0.00 68.15 68.29 1gxx h THR 47 CO 0.71 0.40 0.94 -2.24 -0.25 0.00 0.00 175.52 175.08 1gxx h ASP 48 N 0.92 0.19 0.00 5.36 2.03 -2.04 -3.42 116.42 119.47 1gxx h ASP 48 Ca 0.17 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1gxx h ASP 48 Cb 0.52 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1gxx h ASP 48 CO 0.03 -0.11 0.00 0.61 -1.03 0.00 0.00 179.24 178.73 1gxx n GLY 49 N -1.61 0.59 3.28 7.15 0.00 -1.11 -5.07 105.19 108.43 1gxx n GLY 49 Ca 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 1gxx n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gxx s SER 50 N -0.74 1.13 0.02 1.61 1.04 -1.14 -3.45 113.70 112.18 1gxx s SER 50 Ca 0.00 -1.56 -0.01 0.00 0.48 0.00 0.00 55.95 54.85 1gxx s SER 50 Cb 0.00 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1gxx s SER 50 CO 0.00 -0.92 0.00 -0.89 0.98 0.00 0.00 173.24 172.41 1gxx s THR 51 N -3.74 0.13 -0.19 2.02 2.01 -1.26 -0.75 115.64 113.85 1gxx s THR 51 Ca 0.38 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1gxx s THR 51 Cb 0.05 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1gxx s THR 51 CO 0.19 -0.57 -0.01 -1.81 -0.69 0.00 0.00 174.62 171.72 1gxx s ASP 52 N -1.74 4.74 0.19 3.53 1.01 -1.07 -0.85 116.67 122.46 1gxx s ASP 52 Ca -0.11 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.02 1gxx s ASP 52 Cb -0.06 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 1gxx s ASP 52 CO -0.02 0.07 -0.19 -0.31 0.21 0.00 0.00 175.17 174.93 1gxx s TYR 53 N 0.94 1.93 0.00 4.23 1.51 -0.83 -2.18 117.35 122.95 1gxx s TYR 53 Ca 0.01 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1gxx s TYR 53 Cb -0.14 -0.94 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1gxx s TYR 53 CO 0.02 0.40 0.00 0.41 -1.11 0.00 0.00 175.55 175.26 1gxx n GLY 54 N 0.12 2.65 0.30 0.71 0.00 -1.26 -1.47 105.19 106.23 1gxx n GLY 54 Ca -0.12 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.30 1gxx n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gxx h ILE 55 N 0.00 0.20 -0.06 -0.61 2.10 -1.65 0.56 117.51 118.06 1gxx h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gxx h ILE 55 Cb 0.00 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 35.93 1gxx h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1gxx n LEU 56 N -5.50 0.37 -2.19 2.19 4.77 -1.26 -3.99 117.00 111.38 1gxx n LEU 56 Ca 0.10 -0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 1gxx n LEU 56 Cb 0.39 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1gxx n LEU 56 CO -0.02 0.09 -0.45 0.00 -1.33 0.00 0.00 177.39 175.67 1gxx n GLN 57 N -0.37 -4.06 -4.36 3.23 1.13 0.20 -4.94 117.38 108.20 1gxx n GLN 57 Ca 0.06 3.08 -0.29 0.00 -1.94 0.00 0.00 57.00 57.91 1gxx n GLN 57 Cb 0.08 -4.06 -0.17 0.00 0.11 0.00 0.00 30.24 26.20 1gxx n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gxx s ILE 58 N -0.50 1.50 0.36 5.09 1.01 -0.55 -4.88 121.20 123.23 1gxx s ILE 58 Ca -0.08 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.66 1gxx s ILE 58 Cb 0.01 -1.38 -0.10 0.00 0.01 0.00 0.00 42.46 41.00 1gxx s ILE 58 CO 0.22 0.44 1.30 0.21 0.00 0.00 0.00 174.94 177.11 1gxx s ASN 59 N 1.10 6.63 -0.04 3.58 3.84 -1.26 -1.96 114.94 126.83 1gxx s ASN 59 Ca -0.04 2.66 0.05 0.00 0.21 0.00 0.00 52.86 55.73 1gxx s ASN 59 Cb -0.14 -2.64 0.21 0.00 -0.55 0.00 0.00 41.25 38.13 1gxx s ASN 59 CO -0.04 -0.63 0.97 -1.54 -2.79 0.00 0.00 177.10 173.07 1gxx n SER 60 N 0.56 1.87 -0.04 -4.21 3.41 -0.03 -0.53 113.62 114.66 1gxx n SER 60 Ca 0.01 -2.16 -0.07 0.00 -0.26 0.00 0.00 58.87 56.39 1gxx n SER 60 Cb 0.43 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1gxx n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1gxx n ARG 61 N 0.15 0.16 -0.06 4.33 3.00 -1.14 -4.24 116.66 118.88 1gxx n ARG 61 Ca 0.08 0.06 -0.05 0.00 -0.00 0.00 0.00 57.85 57.94 1gxx n ARG 61 Cb 0.39 -0.84 -0.09 0.00 0.00 0.00 0.00 32.46 31.91 1gxx n ARG 61 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1gxx n TRP 62 N -3.21 0.00 -0.08 -0.14 7.02 -1.26 -1.74 117.44 118.04 1gxx n TRP 62 Ca -0.14 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.27 1gxx n TRP 62 Cb 0.61 -0.55 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 1gxx n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1gxx n TRP 63 N -2.41 0.91 -4.18 -5.99 5.03 -1.08 -1.46 117.44 108.26 1gxx n TRP 63 Ca -0.18 0.40 -0.11 0.00 3.03 0.00 0.00 57.50 60.63 1gxx n TRP 63 Cb 0.86 -0.81 -0.04 0.00 -1.03 0.00 0.00 31.31 30.29 1gxx n TRP 63 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1gxx s ASN 65 N -2.26 2.16 0.00 0.00 3.84 -0.67 -2.87 114.94 115.15 1gxx s ASN 65 Ca 0.18 -0.96 0.00 0.00 0.21 0.00 0.00 52.86 52.29 1gxx s ASN 65 Cb 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 41.25 40.63 1gxx s ASN 65 CO 0.13 -0.22 0.00 -0.90 -2.79 0.00 0.00 177.10 173.32 1gxx n ASP 66 N -0.08 2.81 0.00 -4.21 5.68 -1.26 0.15 116.55 119.64 1gxx n ASP 66 Ca -0.11 -0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1gxx n ASP 66 Cb 0.60 0.72 0.00 0.00 -1.14 0.00 0.00 41.12 41.30 1gxx n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gxx n GLY 67 N 1.56 0.32 0.00 6.12 0.00 -1.26 -4.86 105.19 107.07 1gxx n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gxx n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1gxx n ARG 68 N -2.00 2.78 -1.39 1.61 1.85 -1.26 -5.02 116.66 113.23 1gxx n ARG 68 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 57.85 56.28 1gxx n ARG 68 Cb 0.00 -0.88 -0.10 0.00 -1.05 0.00 0.00 32.46 30.43 1gxx n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1gxx n THR 69 N -1.56 0.10 -1.26 8.89 -1.04 -1.26 -4.65 114.28 113.49 1gxx n THR 69 Ca 0.00 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.05 61.84 1gxx n THR 69 Cb 0.32 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 67.76 1gxx n THR 69 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1gxx n PRO 70 N 7.41 0.05 -0.72 -2.82 -0.04 -1.22 -3.64 135.00 134.02 1gxx n PRO 70 Ca 0.46 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1gxx n PRO 70 Cb 0.08 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1gxx n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gxx n GLY 71 N 5.25 -1.43 3.18 0.55 0.00 -1.26 -4.97 105.19 106.50 1gxx n GLY 71 Ca 0.20 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1gxx n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gxx s SER 72 N 0.00 1.54 -0.04 1.61 0.15 -1.24 -4.90 113.70 110.82 1gxx s SER 72 Ca 0.00 -0.78 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 1gxx s SER 72 Cb 0.00 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1gxx s SER 72 CO 0.00 -0.22 -0.16 -1.14 1.20 0.00 0.00 173.24 172.92 1gxx n ARG 73 N 0.68 0.25 -0.71 5.44 0.00 -0.79 -5.05 116.66 116.48 1gxx n ARG 73 Ca -0.17 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1gxx n ARG 73 Cb 0.57 -0.92 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1gxx n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1gxx n ASN 74 N -3.90 -1.38 -0.00 6.15 2.85 -0.71 -4.97 115.26 113.30 1gxx n ASN 74 Ca -0.07 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.48 1gxx n ASN 74 Cb 0.24 -0.69 -0.10 0.00 1.24 0.00 0.00 39.78 40.48 1gxx n ASN 74 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1gxx n LEU 75 N 0.00 0.37 0.01 1.20 4.32 -0.54 -4.25 117.00 118.12 1gxx n LEU 75 Ca 0.00 -0.27 0.11 0.00 -0.02 0.00 0.00 56.01 55.83 1gxx n LEU 75 Cb 0.00 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.85 1gxx n LEU 75 CO 0.00 0.09 0.11 0.00 -1.22 0.00 0.00 177.39 176.38 1gxx n ASN 77 N -1.72 -2.02 -3.86 0.00 5.15 -1.26 -4.99 115.26 106.57 1gxx n ASN 77 Ca 0.03 -0.84 -0.10 0.00 -0.60 0.00 0.00 54.58 53.08 1gxx n ASN 77 Cb 0.38 -4.04 -0.08 0.00 -0.53 0.00 0.00 39.78 35.51 1gxx n ASN 77 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1gxx s ILE 78 N -3.63 0.12 -0.33 -1.44 1.01 -1.26 -5.07 121.20 110.60 1gxx s ILE 78 Ca 0.09 -1.00 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 1gxx s ILE 78 Cb -0.02 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1gxx s ILE 78 CO 0.81 -0.55 1.05 -2.16 0.00 0.00 0.00 174.94 174.09 1gxx s PRO 79 N -2.96 4.02 0.16 2.79 0.04 -1.26 -1.67 135.00 136.13 1gxx s PRO 79 Ca -0.02 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 1gxx s PRO 79 Cb 0.01 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 30.86 1gxx s PRO 79 CO -0.06 -0.92 1.64 0.00 0.04 0.00 0.00 177.00 177.70 1gxx h SER 81 N -0.16 0.62 -0.07 0.00 0.02 -1.93 0.40 113.55 112.43 1gxx h SER 81 Ca 0.16 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1gxx h SER 81 Cb 0.42 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1gxx h SER 81 CO -0.42 0.07 0.13 0.00 -1.14 0.00 0.00 176.83 175.48 1gxx h ALA 82 N 1.72 1.47 0.00 3.77 0.00 -1.71 0.17 119.26 124.68 1gxx h ALA 82 Ca 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1gxx h ALA 82 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1gxx h ALA 82 CO -0.46 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 179.90 1gxx n LEU 83 N -3.48 0.00 -1.79 0.00 4.77 0.14 -2.12 117.00 114.53 1gxx n LEU 83 Ca -0.01 0.34 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1gxx n LEU 83 Cb 0.22 -0.34 0.38 0.00 -2.33 0.00 0.00 43.42 41.35 1gxx n LEU 83 CO 0.23 -0.18 0.84 0.18 -1.33 0.00 0.00 177.39 177.13 1gxx n LEU 84 N -1.34 5.37 -4.11 2.23 4.77 0.59 -3.47 117.00 121.04 1gxx n LEU 84 Ca 0.06 -2.73 -0.23 0.00 -0.03 0.00 0.00 56.01 53.08 1gxx n LEU 84 Cb 0.13 -0.66 0.20 0.00 -2.33 0.00 0.00 43.42 40.75 1gxx n LEU 84 CO 0.11 0.63 0.12 -0.24 -1.33 0.00 0.00 177.39 176.68 1gxx n SER 85 N 0.67 -3.28 0.00 -1.43 2.88 -0.90 -4.57 113.62 106.99 1gxx n SER 85 Ca 0.26 -0.51 0.12 0.00 -1.33 0.00 0.00 58.87 57.41 1gxx n SER 85 Cb 1.11 -0.87 0.19 0.00 -0.75 0.00 0.00 64.21 63.89 1gxx n SER 85 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gxx n SER 86 N -2.79 0.57 -4.33 -3.46 3.41 -1.26 -4.55 113.62 101.20 1gxx n SER 86 Ca 0.08 -0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.04 1gxx n SER 86 Cb 0.44 0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 64.61 1gxx n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gxx s ASP 87 N -3.12 3.99 0.27 4.04 -1.08 -1.26 -4.96 116.67 114.54 1gxx s ASP 87 Ca 0.10 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 51.92 1gxx s ASP 87 Cb 0.17 -1.62 0.88 0.00 -1.46 0.00 0.00 42.92 40.89 1gxx s ASP 87 CO 0.73 0.11 1.46 2.30 0.52 0.00 0.00 175.17 180.29 1gxx n ILE 88 N 3.88 1.06 -0.32 4.11 -5.35 -1.26 -2.33 119.36 119.15 1gxx n ILE 88 Ca -0.18 0.70 0.19 0.00 -0.27 0.00 0.00 62.75 63.19 1gxx n ILE 88 Cb 0.52 -1.70 0.40 0.00 -1.74 0.00 0.00 39.64 37.12 1gxx n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1gxx h THR 89 N 0.00 0.28 0.00 7.28 2.02 -1.96 1.16 112.91 121.69 1gxx h THR 89 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1gxx h THR 89 Cb 0.16 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1gxx h THR 89 CO 0.00 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1gxx n ALA 90 N -2.50 -0.39 -0.29 6.16 0.00 -0.98 -0.10 120.51 122.41 1gxx n ALA 90 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1gxx n ALA 90 Cb 0.87 0.06 0.13 0.00 0.00 0.00 0.00 19.45 20.51 1gxx n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gxx h SER 91 N 0.00 0.76 -0.98 0.00 0.02 -1.61 -1.81 113.55 109.94 1gxx h SER 91 Ca 0.00 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1gxx h SER 91 Cb 0.00 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1gxx h SER 91 CO 0.00 0.48 0.63 0.58 -1.14 0.00 0.00 176.83 177.39 1gxx h VAL 92 N 0.89 1.13 -0.01 2.27 2.07 0.15 1.31 116.25 124.06 1gxx h VAL 92 Ca 0.36 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1gxx h VAL 92 Cb 0.19 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1gxx h VAL 92 CO -0.18 0.22 0.00 0.78 0.02 0.00 0.00 177.57 178.41 1gxx h ASN 93 N 1.20 0.01 -0.39 0.57 2.35 0.32 0.39 115.58 120.03 1gxx h ASN 93 Ca 0.40 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 1gxx h ASN 93 Cb 0.07 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1gxx h ASN 93 CO -0.14 0.12 -0.23 0.00 -1.65 0.00 0.00 177.43 175.53 1gxx h ALA 95 N 0.80 -0.24 -0.17 0.00 0.00 0.19 1.20 119.26 121.03 1gxx h ALA 95 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1gxx h ALA 95 Cb 0.79 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1gxx h ALA 95 CO 0.06 -0.66 0.26 0.87 0.00 0.00 0.00 179.25 179.78 1gxx h LYS 96 N -0.29 0.00 0.03 0.00 1.57 -0.19 0.60 116.57 118.29 1gxx h LYS 96 Ca 0.02 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 1gxx h LYS 96 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1gxx h LYS 96 CO -0.07 0.00 -1.42 -0.22 -0.57 0.00 0.00 179.45 177.17 1gxx h LYS 97 N 0.00 0.06 -0.49 3.15 3.64 -0.69 -3.38 116.57 118.87 1gxx h LYS 97 Ca 0.08 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1gxx h LYS 97 Cb 0.60 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1gxx h LYS 97 CO -0.00 1.05 0.30 0.82 -2.27 0.00 0.00 179.45 179.35 1gxx h ILE 98 N -0.75 1.07 0.00 2.00 2.04 0.25 -2.79 117.51 119.32 1gxx h ILE 98 Ca -0.36 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1gxx h ILE 98 Cb 1.48 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1gxx h ILE 98 CO -0.14 0.11 0.10 0.55 0.00 0.00 0.00 178.15 178.77 1gxx n VAL 99 N -4.80 0.95 -2.05 1.67 3.14 0.20 -2.48 118.33 114.96 1gxx n VAL 99 Ca 0.03 -0.40 -0.02 0.00 -2.96 0.00 0.00 64.34 60.99 1gxx n VAL 99 Cb 0.06 -1.47 -0.02 0.00 -1.06 0.00 0.00 33.84 31.34 1gxx n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1gxx n SER 100 N 2.40 -0.27 -0.09 6.55 7.64 -1.05 -4.88 113.62 123.92 1gxx n SER 100 Ca 0.09 -1.59 -0.14 0.00 1.01 0.00 0.00 58.87 58.24 1gxx n SER 100 Cb 0.27 0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 1gxx n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1gxx n ASP 101 N 0.05 1.85 0.00 6.43 5.75 -1.03 -5.01 116.55 124.58 1gxx n ASP 101 Ca -0.10 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1gxx n ASP 101 Cb 0.66 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1gxx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gxx n GLY 102 N 1.50 0.84 0.09 6.12 0.00 -1.26 -4.93 105.19 107.55 1gxx n GLY 102 Ca -0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1gxx n GLY 102 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gxx h ASN 103 N 0.00 0.00 0.00 1.61 2.35 -1.95 -3.49 115.58 114.10 1gxx h ASN 103 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gxx h ASN 103 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gxx h ASN 103 CO 0.00 0.67 0.00 0.61 -1.65 0.00 0.00 177.43 177.06 1gxx n GLY 104 N 1.41 3.99 0.75 2.83 0.00 -1.26 -1.01 105.19 111.89 1gxx n GLY 104 Ca -0.10 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1gxx n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gxx n MET 105 N 14.00 1.99 -0.27 1.61 2.81 -1.26 -4.56 117.12 131.45 1gxx n MET 105 Ca 0.00 -1.49 -0.03 0.00 -1.81 0.00 0.00 57.70 54.38 1gxx n MET 105 Cb 0.00 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.03 1gxx n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1gxx n ASN 106 N 0.73 1.61 0.00 7.83 3.02 -0.18 -2.49 115.26 125.78 1gxx n ASN 106 Ca 0.17 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1gxx n ASN 106 Cb 0.44 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1gxx n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gxx n ALA 107 N 2.59 1.57 -1.52 5.41 0.00 -1.26 -5.03 120.51 122.27 1gxx n ALA 107 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.08 1gxx n ALA 107 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 1gxx n ALA 107 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1gxx n TRP 108 N -2.19 1.65 -0.22 0.00 8.01 -1.04 -4.79 117.44 118.87 1gxx n TRP 108 Ca 0.00 0.11 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 1gxx n TRP 108 Cb 0.00 -2.61 0.08 0.00 -2.01 0.00 0.00 31.31 26.77 1gxx n TRP 108 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1gxx h VAL 109 N 7.25 0.37 0.72 -0.99 3.04 -1.96 0.27 116.25 124.96 1gxx h VAL 109 Ca -0.31 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 1gxx h VAL 109 Cb 1.28 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1gxx h VAL 109 CO 1.04 0.00 -0.46 0.00 -1.01 0.00 0.00 177.57 177.14 1gxx h ALA 110 N 1.64 -1.24 -0.56 3.17 0.00 -1.91 -2.94 119.26 117.41 1gxx h ALA 110 Ca 0.32 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1gxx h ALA 110 Cb 0.50 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1gxx h ALA 110 CO -0.64 -1.21 0.27 2.35 0.00 0.00 0.00 179.25 180.02 1gxx h TRP 111 N -1.11 0.48 -0.94 0.00 7.01 -1.76 0.40 115.95 120.03 1gxx h TRP 111 Ca -0.10 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.09 1gxx h TRP 111 Cb 0.90 -0.13 -0.16 0.00 -2.10 0.00 0.00 29.16 27.66 1gxx h TRP 111 CO -0.10 0.21 -0.32 -2.13 -2.79 0.00 0.00 178.44 173.31 1gxx n ARG 112 N -4.90 -0.17 -0.00 2.65 0.63 0.92 0.14 116.66 115.93 1gxx n ARG 112 Ca 0.06 1.46 -0.00 0.00 -0.92 0.00 0.00 57.85 58.44 1gxx n ARG 112 Cb 0.18 -2.17 -0.01 0.00 0.45 0.00 0.00 32.46 30.91 1gxx n ARG 112 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1gxx n ASN 113 N -5.44 4.78 0.23 6.15 6.94 -1.09 -3.83 115.26 123.01 1gxx n ASN 113 Ca 0.12 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.79 1gxx n ASN 113 Cb 0.41 0.54 0.38 0.00 -2.36 0.00 0.00 39.78 38.75 1gxx n ASN 113 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1gxx h ARG 114 N 0.00 0.00 0.00 -3.83 3.08 -0.26 -3.40 114.38 109.97 1gxx h ARG 114 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1gxx h ARG 114 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1gxx h ARG 114 CO 0.00 0.13 -0.66 0.00 -1.07 0.00 0.00 179.97 178.37 1gxx n LYS 116 N -3.06 1.19 0.00 0.00 4.81 0.38 -1.56 118.16 119.92 1gxx n LYS 116 Ca 0.00 -1.22 0.00 0.00 -0.87 0.00 0.00 58.31 56.22 1gxx n LYS 116 Cb 0.33 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1gxx n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gxx n GLY 117 N 4.09 -0.54 0.00 3.14 0.00 -1.26 -4.66 105.19 105.96 1gxx n GLY 117 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1gxx n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gxx n THR 118 N 0.00 0.00 -4.05 2.61 -2.24 -0.60 -5.05 114.28 104.95 1gxx n THR 118 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1gxx n THR 118 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1gxx n THR 118 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gxx s ASP 119 N 0.79 0.40 -0.11 3.42 2.15 -1.26 -5.05 116.67 117.01 1gxx s ASP 119 Ca 0.00 -0.82 0.16 0.00 0.43 0.00 0.00 52.55 52.31 1gxx s ASP 119 Cb 0.00 0.17 0.24 0.00 -0.30 0.00 0.00 42.92 43.03 1gxx s ASP 119 CO 0.00 -0.50 1.12 1.33 -0.17 0.00 0.00 175.17 176.96 1gxx n VAL 120 N 0.63 1.56 -0.06 1.11 0.24 -1.26 -4.71 118.33 115.84 1gxx n VAL 120 Ca -0.17 -1.88 -0.08 0.00 -2.04 0.00 0.00 64.34 60.17 1gxx n VAL 120 Cb 0.59 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.79 1gxx n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gxx n GLN 121 N -1.18 0.86 0.01 7.34 6.02 -1.26 -4.20 117.38 124.96 1gxx n GLN 121 Ca 0.13 0.05 0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1gxx n GLN 121 Cb 0.65 -1.25 0.03 0.00 1.02 0.00 0.00 30.24 30.69 1gxx n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gxx n ALA 122 N -2.74 1.01 0.47 -1.58 0.00 -1.26 0.83 120.51 117.23 1gxx n ALA 122 Ca -0.21 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.33 1gxx n ALA 122 Cb 0.76 -1.02 0.12 0.00 0.00 0.00 0.00 19.45 19.32 1gxx n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1gxx n TRP 123 N -1.53 0.21 0.00 0.00 7.02 -1.26 -4.55 117.44 117.33 1gxx n TRP 123 Ca -0.00 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 1gxx n TRP 123 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1gxx n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1gxx n ILE 124 N 1.06 0.00 -1.02 -0.99 -5.35 0.41 -4.73 119.36 108.75 1gxx n ILE 124 Ca 0.13 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.21 1gxx n ILE 124 Cb 0.48 -0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.08 1gxx n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gxx n ARG 125 N -1.18 0.00 0.00 6.28 5.12 0.24 -2.19 116.66 124.93 1gxx n ARG 125 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gxx n ARG 125 Cb 0.14 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1gxx n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gxx n GLY 126 N 1.16 2.08 2.73 -0.13 0.00 -1.26 -4.86 105.19 104.91 1gxx n GLY 126 Ca 0.14 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1gxx n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxx n ARG 128 N 4.39 0.49 0.00 0.00 0.63 -1.26 -5.03 116.66 115.87 1gxx n ARG 128 Ca 0.27 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.47 1gxx n ARG 128 Cb 0.10 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 30.90 1gxx n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59