#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgp s VAL 2 N 0.00 3.92 0.64 0.58 1.01 -1.26 -0.98 120.40 124.31 1xgp s VAL 2 Ca 0.00 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 1xgp s VAL 2 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1xgp s VAL 2 CO 0.00 -0.16 1.08 -0.36 0.00 0.00 0.00 175.10 175.67 1xgp s PHE 3 N 1.43 2.79 0.52 5.22 0.40 0.54 -4.99 117.98 123.89 1xgp s PHE 3 Ca -0.01 1.53 -0.09 0.00 -0.60 0.00 0.00 56.93 57.76 1xgp s PHE 3 Cb -0.19 -3.08 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 1xgp s PHE 3 CO 0.03 -1.44 0.88 0.20 0.70 0.00 0.00 175.22 175.59 1xgp s GLY 4 N -2.81 1.67 0.08 4.36 0.00 -1.26 -4.81 107.32 104.55 1xgp s GLY 4 Ca 0.65 -0.26 -0.35 0.00 0.00 0.00 0.00 44.72 44.75 1xgp s GLY 4 CO 0.42 -0.05 1.59 -0.09 0.00 0.00 0.00 173.10 174.96 1xgp h ARG 5 N 0.27 -1.01 -0.84 2.90 2.43 -1.98 -0.42 114.38 115.73 1xgp h ARG 5 Ca -0.46 0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 1xgp h ARG 5 Cb 1.20 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.94 1xgp h ARG 5 CO 0.62 -0.67 0.39 0.00 -1.51 0.00 0.00 179.97 178.80 1xgp h GLU 7 N 1.20 0.66 -0.49 0.00 4.81 -1.91 -0.36 114.58 118.49 1xgp h GLU 7 Ca 0.29 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1xgp h GLU 7 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1xgp h GLU 7 CO -0.03 0.44 -0.03 1.25 -0.73 0.00 0.00 179.01 179.90 1xgp h LEU 8 N 0.68 0.88 -0.97 1.64 5.85 -0.59 -2.04 115.31 120.77 1xgp h LEU 8 Ca 0.30 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1xgp h LEU 8 Cb 0.18 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1xgp h LEU 8 CO -0.18 0.99 0.51 0.00 -0.34 0.00 0.00 178.44 179.42 1xgp h ALA 9 N 0.92 1.22 -0.54 1.25 0.00 -0.57 0.42 119.26 121.95 1xgp h ALA 9 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xgp h ALA 9 Cb 0.56 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xgp h ALA 9 CO 0.03 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1xgp h ALA 10 N 1.32 0.71 -0.11 0.00 0.00 -0.93 0.16 119.26 120.41 1xgp h ALA 10 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xgp h ALA 10 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xgp h ALA 10 CO -0.05 0.36 0.03 0.00 0.00 0.00 0.00 179.25 179.59 1xgp h ALA 11 N 1.03 0.14 -0.11 0.00 0.00 -0.62 -0.38 119.26 119.32 1xgp h ALA 11 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xgp h ALA 11 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xgp h ALA 11 CO -0.01 -0.24 0.07 0.52 0.00 0.00 0.00 179.25 179.59 1xgp h MET 12 N -0.02 0.07 -0.11 0.00 2.86 0.03 0.18 114.93 117.94 1xgp h MET 12 Ca 0.03 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1xgp h MET 12 Cb 0.22 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1xgp h MET 12 CO -0.00 0.05 -0.32 -0.22 1.06 0.00 0.00 176.91 177.48 1xgp h LYS 13 N 0.07 0.41 -0.84 1.72 3.64 -0.51 -1.57 116.57 119.50 1xgp h LYS 13 Ca 0.05 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1xgp h LYS 13 Cb 0.09 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1xgp h LYS 13 CO -0.01 0.91 0.55 0.00 -2.27 0.00 0.00 179.45 178.64 1xgp h ARG 14 N -0.01 1.01 -0.49 1.90 3.08 0.15 -1.13 114.38 118.89 1xgp h ARG 14 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xgp h ARG 14 Cb 0.94 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1xgp h ARG 14 CO 0.07 0.67 0.00 0.72 -1.07 0.00 0.00 179.97 180.35 1xgp n HIS 15 N -4.45 0.22 -2.80 3.04 8.25 0.50 -4.92 115.22 115.06 1xgp n HIS 15 Ca 0.11 -0.09 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 1xgp n HIS 15 Cb 0.11 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.17 1xgp n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xgp n GLY 16 N 0.41 -0.31 0.11 -1.41 0.00 -0.43 -4.93 105.19 98.63 1xgp n GLY 16 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1xgp n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xgp n LEU 17 N -3.22 0.82 -4.60 0.99 4.77 -0.61 -4.51 117.00 110.64 1xgp n LEU 17 Ca -0.11 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.77 1xgp n LEU 17 Cb 0.61 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1xgp n LEU 17 CO 0.37 -0.11 1.44 -0.62 -1.33 0.00 0.00 177.39 177.13 1xgp s ASP 18 N -5.41 6.02 0.00 -1.43 2.15 -1.26 -2.24 116.67 114.50 1xgp s ASP 18 Ca -0.01 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1xgp s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1xgp s ASP 18 CO 0.80 -1.64 0.00 -3.20 -0.17 0.00 0.00 175.17 170.96 1xgp n ASN 19 N 9.87 -2.93 -4.65 -0.34 5.15 0.10 -4.82 115.26 117.63 1xgp n ASN 19 Ca 0.21 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.76 1xgp n ASN 19 Cb 0.47 -0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 1xgp n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1xgp s TYR 20 N -2.00 2.63 -1.56 1.20 5.04 -0.95 -3.44 117.35 118.28 1xgp s TYR 20 Ca 0.00 0.83 -0.10 0.00 -2.44 0.00 0.00 57.07 55.36 1xgp s TYR 20 Cb 0.00 -3.69 0.08 0.00 0.35 0.00 0.00 41.96 38.70 1xgp s TYR 20 CO 0.00 -2.09 0.64 0.54 -1.34 0.00 0.00 175.55 173.30 1xgp n ARG 21 N 6.93 -3.43 -1.67 4.97 5.12 -1.26 -2.27 116.66 125.04 1xgp n ARG 21 Ca 0.15 0.41 -0.03 0.00 -1.93 0.00 0.00 57.85 56.45 1xgp n ARG 21 Cb 0.45 -4.87 -0.01 0.00 -1.16 0.00 0.00 32.46 26.87 1xgp n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xgp n GLY 22 N -1.70 0.39 2.95 -0.13 0.00 -1.22 -5.04 105.19 100.43 1xgp n GLY 22 Ca -0.10 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1xgp n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xgp s TYR 23 N -2.13 2.41 0.80 1.61 2.02 -0.96 -4.99 117.35 116.10 1xgp s TYR 23 Ca 0.00 -1.74 -0.13 0.00 -0.37 0.00 0.00 57.07 54.83 1xgp s TYR 23 Cb 0.00 -1.59 0.08 0.00 -0.40 0.00 0.00 41.96 40.05 1xgp s TYR 23 CO 0.00 -0.77 1.19 -1.54 -1.57 0.00 0.00 175.55 172.86 1xgp s SER 24 N 1.39 3.75 0.29 2.29 1.04 -1.26 0.02 113.70 121.22 1xgp s SER 24 Ca -0.05 2.30 0.04 0.00 0.48 0.00 0.00 55.95 58.72 1xgp s SER 24 Cb -0.19 -2.58 0.70 0.00 0.10 0.00 0.00 66.02 64.06 1xgp s SER 24 CO -0.06 -2.56 1.75 0.25 0.98 0.00 0.00 173.24 173.60 1xgp h LEU 25 N -0.87 0.62 -0.69 2.42 5.85 -1.88 -2.26 115.31 118.51 1xgp h LEU 25 Ca -0.46 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.52 1xgp h LEU 25 Cb 1.29 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.22 1xgp h LEU 25 CO 0.47 0.19 0.10 1.23 -0.34 0.00 0.00 178.44 180.09 1xgp h GLY 26 N 0.64 0.87 -0.11 3.75 0.00 -1.91 -1.13 103.07 105.17 1xgp h GLY 26 Ca 0.55 0.02 0.19 0.00 0.00 0.00 0.00 47.33 48.09 1xgp h GLY 26 CO -0.42 -0.20 0.29 3.43 0.00 0.00 0.00 176.54 179.64 1xgp h ASN 27 N 0.20 0.18 -0.14 0.19 2.35 -1.63 0.16 115.58 116.90 1xgp h ASN 27 Ca 0.38 0.15 -0.20 0.00 -0.55 0.00 0.00 56.30 56.07 1xgp h ASN 27 Cb 0.63 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1xgp h ASN 27 CO -0.52 -0.00 -0.68 -0.50 -1.65 0.00 0.00 177.43 174.07 1xgp h TRP 28 N 0.35 1.00 -0.07 1.19 4.06 -1.35 -1.19 115.95 119.95 1xgp h TRP 28 Ca 0.48 -0.41 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 1xgp h TRP 28 Cb 0.86 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1xgp h TRP 28 CO -0.20 1.22 0.03 0.28 -3.56 0.00 0.00 178.44 176.21 1xgp h VAL 29 N 0.55 1.13 -0.67 1.49 2.07 -0.76 -1.40 116.25 118.66 1xgp h VAL 29 Ca -0.02 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1xgp h VAL 29 Cb 1.29 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 1xgp h VAL 29 CO 0.14 0.11 0.40 0.00 0.02 0.00 0.00 177.57 178.25 1xgp h ALA 31 N 1.31 0.31 -0.31 0.00 0.00 -1.05 -2.35 119.26 117.16 1xgp h ALA 31 Ca 0.28 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1xgp h ALA 31 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xgp h ALA 31 CO -0.13 -0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.15 1xgp h ALA 32 N 0.95 0.38 -0.13 0.00 0.00 -0.97 0.12 119.26 119.61 1xgp h ALA 32 Ca 0.08 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xgp h ALA 32 Cb 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1xgp h ALA 32 CO -0.01 -0.24 -0.34 -0.22 0.00 0.00 0.00 179.25 178.45 1xgp h LYS 33 N 0.31 -0.40 0.00 0.00 1.63 -1.09 0.90 116.57 117.92 1xgp h LYS 33 Ca 0.13 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1xgp h LYS 33 Cb 0.05 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1xgp h LYS 33 CO -0.10 -0.27 -0.25 0.74 -3.45 0.00 0.00 179.45 176.13 1xgp h PHE 34 N -0.41 0.00 0.21 1.91 0.04 -1.26 0.50 116.94 117.93 1xgp h PHE 34 Ca 0.09 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.52 1xgp h PHE 34 Cb 0.56 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.73 1xgp h PHE 34 CO -0.42 0.25 -1.63 0.93 -0.60 0.00 0.00 178.31 176.84 1xgp h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -0.54 -3.44 114.58 116.96 1xgp h GLU 35 Ca -0.00 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1xgp h GLU 35 Cb 0.90 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1xgp h GLU 35 CO 0.03 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 1xgp n SER 36 N -3.64 0.00 -3.25 1.42 3.41 0.27 -4.80 113.62 107.04 1xgp n SER 36 Ca -0.21 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.17 1xgp n SER 36 Cb 1.09 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.09 1xgp n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xgp n ASN 37 N 0.00 -6.21 -1.60 4.04 3.02 0.17 -1.92 115.26 112.75 1xgp n ASN 37 Ca 0.00 -0.39 -0.16 0.00 -0.03 0.00 0.00 54.58 54.01 1xgp n ASN 37 Cb 0.36 -4.97 -0.02 0.00 -0.61 0.00 0.00 39.78 34.53 1xgp n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xgp n PHE 38 N -4.71 -0.52 -3.57 3.10 3.72 -1.23 -4.76 117.46 109.49 1xgp n PHE 38 Ca -0.07 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.94 1xgp n PHE 38 Cb 0.60 -3.07 -0.11 0.00 -0.94 0.00 0.00 39.48 35.96 1xgp n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xgp s ASN 39 N -2.46 5.97 0.37 4.37 2.47 -0.81 -0.34 114.94 124.52 1xgp s ASN 39 Ca 0.00 -0.28 0.18 0.00 0.42 0.00 0.00 52.86 53.19 1xgp s ASN 39 Cb 0.00 -2.11 0.69 0.00 -1.45 0.00 0.00 41.25 38.38 1xgp s ASN 39 CO 0.00 -0.16 1.74 0.71 -3.72 0.00 0.00 177.10 175.68 1xgp h THR 40 N 5.46 0.92 -0.20 -5.21 1.35 -1.37 -2.94 112.91 110.91 1xgp h THR 40 Ca -0.33 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1xgp h THR 40 Cb 1.17 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1xgp h THR 40 CO 0.60 0.37 0.00 0.00 -0.25 0.00 0.00 175.52 176.24 1xgp n GLN 41 N -3.58 1.76 -1.98 4.72 1.13 -1.26 -3.82 117.38 114.35 1xgp n GLN 41 Ca -0.00 -1.14 -0.41 0.00 -1.94 0.00 0.00 57.00 53.51 1xgp n GLN 41 Cb 0.50 -1.38 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 1xgp n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xgp s ALA 42 N -1.74 3.48 0.11 -1.58 0.00 -1.17 -4.82 121.76 116.04 1xgp s ALA 42 Ca 0.31 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 1xgp s ALA 42 Cb 0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1xgp s ALA 42 CO 0.25 -0.84 0.10 0.95 0.00 0.00 0.00 175.76 176.21 1xgp s THR 43 N -1.15 0.13 -0.30 0.00 -4.23 -1.26 -1.34 115.64 107.49 1xgp s THR 43 Ca 0.52 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1xgp s THR 43 Cb -0.42 -1.78 0.15 0.00 1.34 0.00 0.00 72.50 71.79 1xgp s THR 43 CO 0.56 -0.59 0.83 0.21 -0.54 0.00 0.00 174.62 175.09 1xgp s ASN 44 N -2.97 -0.85 0.63 3.99 2.47 -0.91 -4.94 114.94 112.36 1xgp s ASN 44 Ca 0.16 1.15 -0.12 0.00 0.42 0.00 0.00 52.86 54.47 1xgp s ASN 44 Cb 0.06 1.96 -0.03 0.00 -1.45 0.00 0.00 41.25 41.80 1xgp s ASN 44 CO -0.03 -0.16 1.04 -0.13 -3.72 0.00 0.00 177.10 174.09 1xgp s ARG 45 N 2.66 3.38 0.32 0.43 0.52 -1.26 -0.57 118.95 124.44 1xgp s ARG 45 Ca -0.04 0.91 0.05 0.00 -0.52 0.00 0.00 55.73 56.13 1xgp s ARG 45 Cb -0.09 -2.05 -0.06 0.00 0.52 0.00 0.00 34.95 33.27 1xgp s ARG 45 CO -0.18 -0.75 0.01 -0.80 0.02 0.00 0.00 175.30 173.60 1xgp s ASN 46 N -3.72 2.79 0.24 0.23 0.01 -0.58 -4.90 114.94 109.01 1xgp s ASN 46 Ca 0.58 -1.30 -0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1xgp s ASN 46 Cb -0.12 -0.17 0.42 0.00 0.41 0.00 0.00 41.25 41.78 1xgp s ASN 46 CO 0.49 -0.48 1.68 0.74 -1.51 0.00 0.00 177.10 178.02 1xgp h THR 47 N 2.11 0.50 -3.77 1.60 2.02 -1.98 -3.40 112.91 109.99 1xgp h THR 47 Ca -0.41 -0.08 -0.43 0.00 0.77 0.00 0.00 66.41 66.26 1xgp h THR 47 Cb 1.24 0.26 0.18 0.00 -1.74 0.00 0.00 68.15 68.09 1xgp h THR 47 CO 0.71 0.04 0.30 1.51 0.37 0.00 0.00 175.52 178.44 1xgp s ASP 48 N -5.24 2.06 0.00 4.18 3.84 -1.26 -4.87 116.67 115.37 1xgp s ASP 48 Ca -0.13 0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 1xgp s ASP 48 Cb 0.21 -0.49 0.00 0.00 -1.38 0.00 0.00 42.92 41.25 1xgp s ASP 48 CO 0.75 -3.40 0.53 0.61 -0.00 0.00 0.00 175.17 173.66 1xgp n GLY 49 N -2.55 1.36 3.95 2.12 0.00 -1.26 -4.85 105.19 103.97 1xgp n GLY 49 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1xgp n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgp s SER 50 N 0.17 6.05 -0.00 1.61 1.04 -1.26 -4.51 113.70 116.79 1xgp s SER 50 Ca 0.00 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 1xgp s SER 50 Cb 0.00 -1.71 -0.00 0.00 0.10 0.00 0.00 66.02 64.40 1xgp s SER 50 CO 0.00 -0.49 0.04 -0.89 0.98 0.00 0.00 173.24 172.88 1xgp s THR 51 N -2.40 0.05 -0.12 2.02 2.01 -1.26 -1.52 115.64 114.42 1xgp s THR 51 Ca 0.44 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1xgp s THR 51 Cb -0.10 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1xgp s THR 51 CO 0.36 -0.23 0.45 -1.81 -0.69 0.00 0.00 174.62 172.71 1xgp s ASP 52 N -0.69 6.66 0.09 3.53 1.01 0.27 -1.26 116.67 126.28 1xgp s ASP 52 Ca -0.08 0.79 0.10 0.00 0.71 0.00 0.00 52.55 54.07 1xgp s ASP 52 Cb -0.05 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1xgp s ASP 52 CO -0.00 0.03 -0.26 -0.31 0.21 0.00 0.00 175.17 174.84 1xgp s TYR 53 N 0.51 2.27 0.05 4.23 1.51 -0.46 -2.13 117.35 123.34 1xgp s TYR 53 Ca 0.25 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1xgp s TYR 53 Cb -0.15 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1xgp s TYR 53 CO 0.10 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.17 1xgp n GLY 54 N 1.35 -1.41 0.37 0.71 0.00 -0.45 -1.08 105.19 104.67 1xgp n GLY 54 Ca -0.18 -1.48 0.19 0.00 0.00 0.00 0.00 46.02 44.55 1xgp n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xgp h ILE 55 N -0.20 0.28 -0.16 -0.61 2.10 -1.63 -0.24 117.51 117.05 1xgp h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1xgp h ILE 55 Cb 0.20 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1xgp h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1xgp n LEU 56 N -3.50 2.93 -3.99 2.19 4.77 -1.26 -4.13 117.00 114.01 1xgp n LEU 56 Ca 0.04 -2.62 -0.42 0.00 -0.03 0.00 0.00 56.01 52.98 1xgp n LEU 56 Cb 0.51 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1xgp n LEU 56 CO 0.24 0.66 -0.17 0.00 -1.33 0.00 0.00 177.39 176.79 1xgp n GLN 57 N -0.52 -0.54 -3.00 3.23 1.13 -0.10 -4.91 117.38 112.67 1xgp n GLN 57 Ca 0.14 0.23 -0.41 0.00 -1.94 0.00 0.00 57.00 55.02 1xgp n GLN 57 Cb 0.61 -2.64 -0.05 0.00 0.11 0.00 0.00 30.24 28.27 1xgp n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xgp s ILE 58 N -3.43 4.96 0.44 5.09 1.01 -0.24 -4.53 121.20 124.49 1xgp s ILE 58 Ca 0.41 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 62.23 1xgp s ILE 58 Cb -0.22 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 1xgp s ILE 58 CO 0.95 0.08 1.39 0.21 0.00 0.00 0.00 174.94 177.57 1xgp s ASN 59 N 1.14 6.00 0.00 3.58 3.04 -1.26 -1.35 114.94 126.09 1xgp s ASN 59 Ca 0.34 2.84 0.28 0.00 0.04 0.00 0.00 52.86 56.36 1xgp s ASN 59 Cb -0.16 -2.65 0.98 0.00 -1.54 0.00 0.00 41.25 37.88 1xgp s ASN 59 CO 0.12 -1.08 1.71 -1.54 -3.04 0.00 0.00 177.10 173.26 1xgp n SER 60 N -0.10 1.61 0.02 -4.21 3.41 -0.39 -2.36 113.62 111.60 1xgp n SER 60 Ca 0.05 -1.54 -0.12 0.00 -0.26 0.00 0.00 58.87 57.00 1xgp n SER 60 Cb 0.42 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1xgp n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xgp h ARG 61 N 2.52 0.10 0.00 4.33 2.43 -1.85 -3.40 114.38 118.50 1xgp h ARG 61 Ca 0.00 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.92 1xgp h ARG 61 Cb 0.54 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1xgp h ARG 61 CO 0.00 0.82 -1.30 0.91 -1.51 0.00 0.00 179.97 178.90 1xgp n TRP 62 N -3.25 0.00 -0.11 2.20 7.02 -1.25 -1.31 117.44 120.73 1xgp n TRP 62 Ca -0.16 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.16 1xgp n TRP 62 Cb 1.03 -0.21 -0.13 0.00 -2.42 0.00 0.00 31.31 29.58 1xgp n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xgp n TRP 63 N -2.33 0.08 -4.28 -5.99 7.02 -0.99 0.37 117.44 111.31 1xgp n TRP 63 Ca -0.08 0.02 -0.15 0.00 -1.02 0.00 0.00 57.50 56.27 1xgp n TRP 63 Cb 0.62 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.40 1xgp n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xgp s ASN 65 N -3.24 4.05 -0.07 0.00 2.47 -0.41 -4.45 114.94 113.30 1xgp s ASN 65 Ca 0.26 -0.37 0.12 0.00 0.42 0.00 0.00 52.86 53.29 1xgp s ASN 65 Cb 0.06 -1.64 0.33 0.00 -1.45 0.00 0.00 41.25 38.54 1xgp s ASN 65 CO 0.06 0.10 1.25 -0.90 -3.72 0.00 0.00 177.10 173.89 1xgp n ASP 66 N 4.00 3.02 -0.54 -4.21 5.68 -1.26 -1.41 116.55 121.82 1xgp n ASP 66 Ca -0.18 -2.46 -0.07 0.00 -0.50 0.00 0.00 54.79 51.57 1xgp n ASP 66 Cb 0.52 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 1xgp n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xgp n GLY 67 N -0.22 0.73 1.98 6.12 0.00 -1.26 -4.76 105.19 107.77 1xgp n GLY 67 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1xgp n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xgp n ARG 68 N -0.67 0.78 -4.14 1.61 1.85 -1.26 -5.09 116.66 109.74 1xgp n ARG 68 Ca -0.07 -1.58 -0.32 0.00 -1.00 0.00 0.00 57.85 54.88 1xgp n ARG 68 Cb 0.50 0.10 -0.16 0.00 -1.05 0.00 0.00 32.46 31.84 1xgp n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1xgp s THR 69 N -0.51 1.86 0.19 8.89 2.01 -1.26 -4.90 115.64 121.91 1xgp s THR 69 Ca 0.12 -0.82 -0.32 0.00 0.31 0.00 0.00 61.69 60.98 1xgp s THR 69 Cb 0.27 -1.70 -0.12 0.00 0.01 0.00 0.00 72.50 70.97 1xgp s THR 69 CO -0.08 0.51 1.75 -2.16 -0.69 0.00 0.00 174.62 173.95 1xgp s PRO 70 N 1.31 4.12 -0.74 4.92 0.04 -1.26 -2.69 135.00 140.71 1xgp s PRO 70 Ca 0.04 2.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.67 1xgp s PRO 70 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1xgp s PRO 70 CO -0.11 -0.78 0.25 0.41 0.04 0.00 0.00 177.00 176.81 1xgp n GLY 71 N 4.05 0.10 3.74 0.56 0.00 -1.26 -4.88 105.19 107.49 1xgp n GLY 71 Ca 0.16 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1xgp n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgp s SER 72 N -2.83 6.81 -0.01 1.61 0.01 -1.10 -4.74 113.70 113.46 1xgp s SER 72 Ca 0.12 2.48 0.12 0.00 1.31 0.00 0.00 55.95 59.98 1xgp s SER 72 Cb -0.05 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 63.40 1xgp s SER 72 CO 0.15 -0.60 0.32 0.54 0.41 0.00 0.00 173.24 174.07 1xgp n ARG 73 N 2.72 1.25 -4.16 12.44 1.74 -0.43 -5.00 116.66 125.22 1xgp n ARG 73 Ca 0.07 -0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 1xgp n ARG 73 Cb 0.42 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 1xgp n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xgp n ASN 74 N -1.71 -1.13 -0.12 0.55 5.15 -1.14 -4.81 115.26 112.04 1xgp n ASN 74 Ca -0.01 -1.23 0.09 0.00 -0.60 0.00 0.00 54.58 52.84 1xgp n ASN 74 Cb 0.26 -1.50 0.43 0.00 -0.53 0.00 0.00 39.78 38.44 1xgp n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xgp h LEU 75 N -1.96 0.50 -0.30 1.20 4.07 -0.09 -0.11 115.31 118.62 1xgp h LEU 75 Ca -0.65 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1xgp h LEU 75 Cb 1.33 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1xgp h LEU 75 CO 0.60 0.32 -0.02 0.00 -1.08 0.00 0.00 178.44 178.25 1xgp n ASN 77 N -0.69 -3.44 -3.73 0.00 5.15 -0.06 -4.97 115.26 107.52 1xgp n ASN 77 Ca 0.20 -1.10 -0.13 0.00 -0.60 0.00 0.00 54.58 52.95 1xgp n ASN 77 Cb 0.21 -2.81 -0.08 0.00 -0.53 0.00 0.00 39.78 36.58 1xgp n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1xgp s ILE 78 N -3.66 0.06 0.23 -1.44 1.10 -1.26 -5.07 121.20 111.16 1xgp s ILE 78 Ca 0.34 -0.46 -0.30 0.00 -0.51 0.00 0.00 60.65 59.72 1xgp s ILE 78 Cb -0.14 -0.74 -0.09 0.00 0.15 0.00 0.00 42.46 41.64 1xgp s ILE 78 CO 0.90 -0.25 1.05 -2.84 -2.11 0.00 0.00 174.94 171.69 1xgp s PRO 79 N -1.63 4.69 0.50 3.50 0.02 -1.26 -1.29 135.00 139.53 1xgp s PRO 79 Ca -0.11 1.68 0.20 0.00 0.02 0.00 0.00 61.00 62.79 1xgp s PRO 79 Cb -0.04 -3.25 1.26 0.00 0.02 0.00 0.00 34.50 32.49 1xgp s PRO 79 CO 0.03 0.26 2.01 0.00 -0.33 0.00 0.00 177.00 178.97 1xgp h SER 81 N 0.14 0.48 -0.04 0.00 4.64 -1.91 0.12 113.55 116.98 1xgp h SER 81 Ca 0.23 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1xgp h SER 81 Cb 0.72 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1xgp h SER 81 CO -0.03 0.31 0.06 0.00 -0.87 0.00 0.00 176.83 176.30 1xgp h ALA 82 N 1.68 1.38 -0.04 5.18 0.00 -1.58 0.09 119.26 125.97 1xgp h ALA 82 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xgp h ALA 82 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xgp h ALA 82 CO -0.08 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1xgp n LEU 83 N -3.50 0.77 -0.47 0.00 4.77 0.40 -3.42 117.00 115.55 1xgp n LEU 83 Ca -0.02 -0.29 0.07 0.00 -0.03 0.00 0.00 56.01 55.74 1xgp n LEU 83 Cb 0.15 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1xgp n LEU 83 CO 0.24 0.14 0.40 0.18 -1.33 0.00 0.00 177.39 177.02 1xgp n LEU 84 N -0.34 1.93 -4.70 2.23 4.77 0.02 -3.22 117.00 117.68 1xgp n LEU 84 Ca 0.19 -0.93 -0.31 0.00 -0.03 0.00 0.00 56.01 54.92 1xgp n LEU 84 Cb 0.21 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1xgp n LEU 84 CO 0.15 0.36 0.69 -0.55 -1.33 0.00 0.00 177.39 176.71 1xgp s SER 85 N -1.28 3.40 0.44 -1.43 0.15 -1.22 -4.24 113.70 109.52 1xgp s SER 85 Ca 0.14 2.10 0.26 0.00 0.70 0.00 0.00 55.95 59.16 1xgp s SER 85 Cb 0.11 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.54 1xgp s SER 85 CO 0.22 -2.78 1.73 0.28 1.20 0.00 0.00 173.24 173.88 1xgp h SER 86 N -1.60 0.00 -3.56 5.45 0.02 -1.93 -3.41 113.55 108.52 1xgp h SER 86 Ca -0.43 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.89 1xgp h SER 86 Cb 1.26 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.67 1xgp h SER 86 CO 0.44 0.00 0.12 -0.62 -1.14 0.00 0.00 176.83 175.64 1xgp s ASP 87 N -5.84 6.44 0.00 3.07 -1.08 -1.26 -4.93 116.67 113.06 1xgp s ASP 87 Ca 0.06 0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.62 1xgp s ASP 87 Cb 0.07 -2.32 1.78 0.00 -1.46 0.00 0.00 42.92 40.99 1xgp s ASP 87 CO 0.62 -0.54 2.13 2.30 0.52 0.00 0.00 175.17 180.20 1xgp n ILE 88 N 5.50 0.01 -0.38 4.11 -5.35 -1.26 -4.35 119.36 117.63 1xgp n ILE 88 Ca -0.02 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.41 1xgp n ILE 88 Cb 0.49 -0.52 -0.02 0.00 -1.74 0.00 0.00 39.64 37.84 1xgp n ILE 88 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1xgp n THR 89 N -1.03 -0.57 -0.14 7.28 -1.04 -1.26 -1.49 114.28 116.03 1xgp n THR 89 Ca 0.22 2.28 -0.09 0.00 -2.04 0.00 0.00 64.05 64.41 1xgp n THR 89 Cb 0.12 -2.92 -0.01 0.00 -1.82 0.00 0.00 70.33 65.70 1xgp n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xgp h ALA 90 N 0.95 0.55 -0.59 2.41 0.00 -1.83 -2.14 119.26 118.61 1xgp h ALA 90 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xgp h ALA 90 Cb 0.49 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xgp h ALA 90 CO -0.93 0.21 0.29 0.77 0.00 0.00 0.00 179.25 179.60 1xgp h SER 91 N 0.54 0.75 -0.13 0.00 0.02 -1.59 -1.95 113.55 111.18 1xgp h SER 91 Ca 0.13 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1xgp h SER 91 Cb 0.29 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1xgp h SER 91 CO -0.00 0.63 -0.11 0.58 -1.14 0.00 0.00 176.83 176.79 1xgp h VAL 92 N 0.83 1.34 -0.41 2.27 2.07 -1.12 -0.86 116.25 120.38 1xgp h VAL 92 Ca 0.21 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1xgp h VAL 92 Cb 0.08 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1xgp h VAL 92 CO -0.03 0.36 0.05 0.78 0.02 0.00 0.00 177.57 178.74 1xgp h ASN 93 N -0.06 -0.07 -0.42 0.57 -0.26 -1.18 0.87 115.58 115.03 1xgp h ASN 93 Ca 0.02 0.08 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 1xgp h ASN 93 Cb 0.61 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.98 1xgp h ASN 93 CO 0.03 -0.00 -0.09 0.00 -1.06 0.00 0.00 177.43 176.31 1xgp h ALA 95 N 1.11 1.07 -0.52 0.00 0.00 -0.29 -0.50 119.26 120.14 1xgp h ALA 95 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xgp h ALA 95 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xgp h ALA 95 CO 0.04 0.67 0.15 0.87 0.00 0.00 0.00 179.25 180.97 1xgp h LYS 96 N 1.18 0.77 -0.08 0.00 1.57 -0.50 0.27 116.57 119.78 1xgp h LYS 96 Ca 0.27 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1xgp h LYS 96 Cb 0.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xgp h LYS 96 CO -0.03 0.68 -0.59 -0.22 -0.57 0.00 0.00 179.45 178.73 1xgp h LYS 97 N 0.75 0.26 0.09 3.15 3.64 -0.79 -2.04 116.57 121.63 1xgp h LYS 97 Ca 0.17 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xgp h LYS 97 Cb 0.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1xgp h LYS 97 CO -0.01 0.77 -0.04 0.82 -2.27 0.00 0.00 179.45 178.72 1xgp h ILE 98 N 0.20 1.17 0.00 2.00 2.04 -0.47 -3.05 117.51 119.40 1xgp h ILE 98 Ca -0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1xgp h ILE 98 Cb 1.09 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1xgp h ILE 98 CO 0.09 0.27 0.00 0.55 0.00 0.00 0.00 178.15 179.06 1xgp n VAL 99 N -4.90 0.98 1.67 1.67 3.14 0.02 -1.49 118.33 119.43 1xgp n VAL 99 Ca -0.08 0.49 0.15 0.00 -2.96 0.00 0.00 64.34 61.94 1xgp n VAL 99 Cb 0.27 -1.46 0.84 0.00 -1.06 0.00 0.00 33.84 32.43 1xgp n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1xgp n SER 100 N -2.21 0.00 -4.89 6.55 7.64 -0.77 -4.04 113.62 115.90 1xgp n SER 100 Ca 0.00 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.04 1xgp n SER 100 Cb 0.12 -0.15 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1xgp n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xgp s ASP 101 N -2.29 5.13 0.22 6.43 2.15 -0.55 -4.96 116.67 122.80 1xgp s ASP 101 Ca 0.37 1.01 -0.08 0.00 0.43 0.00 0.00 52.55 54.28 1xgp s ASP 101 Cb 0.21 -1.70 0.35 0.00 -0.30 0.00 0.00 42.92 41.48 1xgp s ASP 101 CO 0.41 -1.53 1.70 1.23 -0.17 0.00 0.00 175.17 176.82 1xgp h GLY 102 N -0.78 0.88 -0.05 2.66 0.00 -1.88 -2.12 103.07 101.77 1xgp h GLY 102 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1xgp h GLY 102 CO 0.64 -0.13 0.00 1.16 0.00 0.00 0.00 176.54 178.21 1xgp n ASN 103 N -5.12 0.04 0.00 0.19 0.23 -1.26 -4.98 115.26 104.36 1xgp n ASN 103 Ca 0.11 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.36 1xgp n ASN 103 Cb 0.37 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 1xgp n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xgp n GLY 104 N 0.38 1.41 0.00 4.83 0.00 -0.80 -1.67 105.19 109.34 1xgp n GLY 104 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1xgp n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xgp n MET 105 N 13.01 0.10 0.00 1.61 2.81 -1.26 -2.67 117.12 130.72 1xgp n MET 105 Ca 0.00 0.19 0.04 0.00 -1.81 0.00 0.00 57.70 56.13 1xgp n MET 105 Cb 0.00 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.26 1xgp n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xgp n ASN 106 N -1.24 0.00 0.08 7.83 3.02 -0.67 -1.66 115.26 122.62 1xgp n ASN 106 Ca 0.03 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.34 1xgp n ASN 106 Cb 0.04 -0.05 0.12 0.00 -0.61 0.00 0.00 39.78 39.28 1xgp n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xgp h ALA 107 N 2.51 0.84 -1.77 5.41 0.00 -1.69 -3.39 119.26 121.17 1xgp h ALA 107 Ca 0.00 -0.54 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 1xgp h ALA 107 Cb 0.01 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.56 1xgp h ALA 107 CO 0.00 0.72 0.50 -1.58 0.00 0.00 0.00 179.25 178.89 1xgp s TRP 108 N -3.80 2.83 0.31 0.00 0.51 -0.66 -4.90 118.94 113.23 1xgp s TRP 108 Ca -0.04 -0.81 0.07 0.00 -2.12 0.00 0.00 56.10 53.19 1xgp s TRP 108 Cb 0.12 -4.23 0.81 0.00 -0.81 0.00 0.00 33.47 29.36 1xgp s TRP 108 CO 0.80 -1.54 1.72 0.28 -0.51 0.00 0.00 176.95 177.70 1xgp h VAL 109 N 5.93 0.52 0.00 4.03 2.07 -1.85 0.52 116.25 127.46 1xgp h VAL 109 Ca -0.20 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1xgp h VAL 109 Cb 1.06 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xgp h VAL 109 CO 1.15 0.09 -0.11 0.00 0.02 0.00 0.00 177.57 178.72 1xgp h ALA 110 N 1.71 1.49 -0.04 1.67 0.00 -1.95 -1.81 119.26 120.33 1xgp h ALA 110 Ca 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1xgp h ALA 110 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xgp h ALA 110 CO -0.49 0.14 -0.11 2.35 0.00 0.00 0.00 179.25 181.13 1xgp h TRP 111 N 0.00 0.20 0.06 0.00 7.01 -0.29 -2.20 115.95 120.72 1xgp h TRP 111 Ca -0.00 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 60.94 1xgp h TRP 111 Cb 0.25 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1xgp h TRP 111 CO 0.00 0.72 -0.15 0.00 -2.79 0.00 0.00 178.44 176.22 1xgp h ARG 112 N -0.38 -0.26 -0.45 2.65 3.08 -1.07 0.88 114.38 118.83 1xgp h ARG 112 Ca -0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xgp h ARG 112 Cb 0.71 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1xgp h ARG 112 CO 0.02 -0.18 0.27 -0.91 -1.07 0.00 0.00 179.97 178.11 1xgp h ASN 113 N -0.27 0.54 -0.01 7.04 -0.26 -1.42 -3.28 115.58 117.92 1xgp h ASN 113 Ca 0.03 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1xgp h ASN 113 Cb 0.31 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1xgp h ASN 113 CO -0.10 0.43 0.00 0.54 -1.06 0.00 0.00 177.43 177.24 1xgp n ARG 114 N -4.73 -0.52 0.00 0.81 3.00 -0.83 -4.85 116.66 109.54 1xgp n ARG 114 Ca 0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 57.85 57.17 1xgp n ARG 114 Cb 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1xgp n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xgp n LYS 116 N -2.51 1.25 -1.28 0.00 4.81 0.26 -1.55 118.16 119.14 1xgp n LYS 116 Ca 0.00 0.46 -0.06 0.00 -0.87 0.00 0.00 58.31 57.83 1xgp n LYS 116 Cb 0.33 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.22 1xgp n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xgp n GLY 117 N 3.48 0.80 3.71 3.14 0.00 -1.26 -4.92 105.19 110.14 1xgp n GLY 117 Ca 0.22 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1xgp n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xgp s THR 118 N -2.25 2.17 -1.28 2.61 -4.23 -0.59 -5.00 115.64 107.07 1xgp s THR 118 Ca 0.00 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1xgp s THR 118 Cb 0.00 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1xgp s THR 118 CO 0.00 0.00 2.31 -0.67 -0.54 0.00 0.00 174.62 175.72 1xgp n ASP 119 N -1.17 4.80 0.25 3.99 2.03 -1.26 -4.68 116.55 120.50 1xgp n ASP 119 Ca -0.03 -2.68 0.18 0.00 0.52 0.00 0.00 54.79 52.78 1xgp n ASP 119 Cb 0.65 -1.45 0.87 0.00 -0.72 0.00 0.00 41.12 40.48 1xgp n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1xgp h VAL 120 N 3.81 0.25 0.00 5.18 -1.51 -1.93 -0.53 116.25 121.52 1xgp h VAL 120 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.07 1xgp h VAL 120 Cb 0.50 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1xgp h VAL 120 CO 1.83 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.84 1xgp n GLN 121 N -3.41 0.10 0.17 5.19 7.27 -1.26 -0.80 117.38 124.63 1xgp n GLN 121 Ca 0.01 0.59 0.03 0.00 0.07 0.00 0.00 57.00 57.70 1xgp n GLN 121 Cb 0.35 -1.82 0.41 0.00 2.41 0.00 0.00 30.24 31.59 1xgp n GLN 121 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xgp h ALA 122 N 1.99 1.51 0.00 1.69 0.00 -1.47 -1.43 119.26 121.55 1xgp h ALA 122 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1xgp h ALA 122 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xgp h ALA 122 CO 0.00 0.36 -0.15 -1.49 0.00 0.00 0.00 179.25 177.97 1xgp h TRP 123 N 0.09 0.00 -0.01 0.00 4.06 -1.20 -2.43 115.95 116.47 1xgp h TRP 123 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1xgp h TRP 123 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1xgp h TRP 123 CO 0.00 0.15 -0.36 0.44 -3.56 0.00 0.00 178.44 175.11 1xgp n ILE 124 N -3.47 0.00 -1.92 1.49 -5.35 -1.07 -4.86 119.36 104.18 1xgp n ILE 124 Ca -0.01 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 1xgp n ILE 124 Cb 0.31 1.12 -0.03 0.00 -1.74 0.00 0.00 39.64 39.30 1xgp n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xgp s ARG 125 N -1.78 4.18 0.00 6.28 6.06 -0.56 -1.90 118.95 131.22 1xgp s ARG 125 Ca 0.09 2.31 0.00 0.00 -2.50 0.00 0.00 55.73 55.64 1xgp s ARG 125 Cb 0.10 -3.95 0.00 0.00 0.06 0.00 0.00 34.95 31.16 1xgp s ARG 125 CO 0.38 -0.85 0.00 0.41 -2.50 0.00 0.00 175.30 172.74 1xgp n GLY 126 N 4.20 2.55 3.77 8.12 0.00 -1.26 -4.98 105.19 117.58 1xgp n GLY 126 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1xgp n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgp n ARG 128 N 0.81 5.21 0.00 0.00 5.12 -1.26 -5.09 116.66 121.45 1xgp n ARG 128 Ca 0.01 -4.33 0.07 0.00 -1.93 0.00 0.00 57.85 51.66 1xgp n ARG 128 Cb 0.48 -2.52 0.06 0.00 -1.16 0.00 0.00 32.46 29.31 1xgp n ARG 128 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17