#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgr s VAL 2 N 0.00 3.41 0.63 0.58 1.01 -1.26 -0.24 120.40 124.54 1xgr s VAL 2 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1xgr s VAL 2 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1xgr s VAL 2 CO 0.00 0.01 1.06 -0.36 0.00 0.00 0.00 175.10 175.80 1xgr s PHE 3 N 1.37 3.04 0.32 5.22 0.40 0.93 -4.98 117.98 124.28 1xgr s PHE 3 Ca -0.01 1.48 -0.10 0.00 -0.60 0.00 0.00 56.93 57.71 1xgr s PHE 3 Cb -0.18 -2.96 -0.07 0.00 0.51 0.00 0.00 43.02 40.32 1xgr s PHE 3 CO -0.00 -1.14 0.66 0.20 0.70 0.00 0.00 175.22 175.64 1xgr s GLY 4 N -3.13 2.05 0.14 4.36 0.00 -1.26 -4.81 107.32 104.67 1xgr s GLY 4 Ca 0.62 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 1xgr s GLY 4 CO 0.43 -0.11 1.65 -0.09 0.00 0.00 0.00 173.10 174.97 1xgr h ARG 5 N 1.80 -0.23 -0.63 2.90 2.43 -1.98 0.17 114.38 118.83 1xgr h ARG 5 Ca -0.47 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1xgr h ARG 5 Cb 1.18 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1xgr h ARG 5 CO 0.66 -0.16 0.11 0.00 -1.51 0.00 0.00 179.97 179.07 1xgr h GLU 7 N 0.95 0.82 -0.45 0.00 4.81 -1.83 -1.10 114.58 117.78 1xgr h GLU 7 Ca 0.19 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1xgr h GLU 7 Cb 0.42 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1xgr h GLU 7 CO 0.01 0.54 -0.21 1.25 -0.73 0.00 0.00 179.01 179.87 1xgr h LEU 8 N 0.84 0.96 -0.44 1.64 5.85 -0.60 -2.06 115.31 121.50 1xgr h LEU 8 Ca 0.36 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1xgr h LEU 8 Cb 0.22 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1xgr h LEU 8 CO -0.19 1.15 0.17 0.00 -0.34 0.00 0.00 178.44 179.23 1xgr h ALA 9 N 0.85 0.54 -0.55 1.25 0.00 -0.51 0.42 119.26 121.25 1xgr h ALA 9 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xgr h ALA 9 Cb 0.78 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xgr h ALA 9 CO 0.06 -0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.37 1xgr h ALA 10 N 1.28 0.71 -0.52 0.00 0.00 -1.13 0.54 119.26 120.14 1xgr h ALA 10 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xgr h ALA 10 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xgr h ALA 10 CO -0.20 0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.52 1xgr h ALA 11 N 1.11 0.67 -0.35 0.00 0.00 -0.61 -0.21 119.26 119.87 1xgr h ALA 11 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1xgr h ALA 11 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xgr h ALA 11 CO -0.03 0.28 -0.25 0.52 0.00 0.00 0.00 179.25 179.78 1xgr h MET 12 N 0.70 0.71 -0.55 0.00 2.86 0.05 -0.25 114.93 118.44 1xgr h MET 12 Ca 0.17 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1xgr h MET 12 Cb 0.20 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1xgr h MET 12 CO -0.01 0.88 -0.10 -0.22 1.06 0.00 0.00 176.91 178.52 1xgr h LYS 13 N 0.61 1.04 -0.70 1.72 3.64 -0.65 -1.88 116.57 120.36 1xgr h LYS 13 Ca 0.08 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 1xgr h LYS 13 Cb 0.74 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1xgr h LYS 13 CO 0.06 1.08 0.23 -0.09 -2.27 0.00 0.00 179.45 178.46 1xgr h ARG 14 N 0.93 1.06 -0.69 1.90 2.43 -0.76 -2.37 114.38 116.88 1xgr h ARG 14 Ca 0.14 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xgr h ARG 14 Cb 0.67 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xgr h ARG 14 CO 0.05 0.90 0.00 0.72 -1.51 0.00 0.00 179.97 180.13 1xgr n HIS 15 N -4.27 0.26 -3.06 2.20 8.25 -0.13 -4.92 115.22 113.56 1xgr n HIS 15 Ca 0.06 -0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 1xgr n HIS 15 Cb 0.21 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.25 1xgr n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xgr n GLY 16 N 0.27 -0.33 0.08 -1.41 0.00 -0.89 -4.94 105.19 97.97 1xgr n GLY 16 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1xgr n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xgr n LEU 17 N -3.72 0.65 -4.61 0.99 4.77 -0.74 -4.49 117.00 109.85 1xgr n LEU 17 Ca -0.06 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 1xgr n LEU 17 Cb 0.59 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1xgr n LEU 17 CO 0.45 -0.12 1.30 -0.62 -1.33 0.00 0.00 177.39 177.07 1xgr s ASP 18 N -4.99 6.33 -0.20 -1.43 2.15 -1.26 -2.28 116.67 114.98 1xgr s ASP 18 Ca -0.01 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.13 1xgr s ASP 18 Cb 0.11 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1xgr s ASP 18 CO 0.81 -1.38 0.00 -3.20 -0.17 0.00 0.00 175.17 171.23 1xgr n ASN 19 N 8.79 -3.17 -4.65 -0.34 5.15 0.31 -4.83 115.26 116.51 1xgr n ASN 19 Ca 0.18 0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.78 1xgr n ASN 19 Cb 0.47 -0.90 -0.02 0.00 -0.53 0.00 0.00 39.78 38.79 1xgr n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1xgr s TYR 20 N -2.07 2.72 -1.53 1.20 5.04 -0.97 -3.08 117.35 118.67 1xgr s TYR 20 Ca 0.00 0.90 -0.09 0.00 -2.44 0.00 0.00 57.07 55.44 1xgr s TYR 20 Cb 0.00 -3.62 0.07 0.00 0.35 0.00 0.00 41.96 38.76 1xgr s TYR 20 CO 0.00 -1.92 0.67 0.54 -1.34 0.00 0.00 175.55 173.50 1xgr n ARG 21 N 6.81 -3.78 0.00 4.97 5.12 -1.26 -1.86 116.66 126.66 1xgr n ARG 21 Ca 0.14 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1xgr n ARG 21 Cb 0.45 -4.95 0.00 0.00 -1.16 0.00 0.00 32.46 26.80 1xgr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xgr n GLY 22 N -1.70 2.89 3.59 -0.13 0.00 -1.18 -5.00 105.19 103.67 1xgr n GLY 22 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1xgr n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xgr s TYR 23 N -2.44 3.07 0.67 1.61 2.02 -0.78 -4.82 117.35 116.68 1xgr s TYR 23 Ca 0.00 0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 1xgr s TYR 23 Cb 0.00 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.96 1xgr s TYR 23 CO 0.00 -0.82 1.19 -1.54 -1.57 0.00 0.00 175.55 172.80 1xgr s SER 24 N 1.90 4.74 0.33 2.29 1.04 -1.26 -0.53 113.70 122.22 1xgr s SER 24 Ca 0.36 2.29 0.13 0.00 0.48 0.00 0.00 55.95 59.21 1xgr s SER 24 Cb -0.12 -2.58 1.02 0.00 0.10 0.00 0.00 66.02 64.44 1xgr s SER 24 CO 0.19 -1.89 1.69 0.25 0.98 0.00 0.00 173.24 174.45 1xgr h LEU 25 N 0.20 0.57 -1.41 2.42 5.85 -1.88 -0.96 115.31 120.10 1xgr h LEU 25 Ca -0.48 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1xgr h LEU 25 Cb 1.29 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1xgr h LEU 25 CO 0.53 -0.05 0.50 1.23 -0.34 0.00 0.00 178.44 180.31 1xgr h GLY 26 N 0.42 0.95 0.49 3.75 0.00 -1.91 -2.14 103.07 104.62 1xgr h GLY 26 Ca 0.70 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.84 1xgr h GLY 26 CO -0.56 0.15 0.22 3.43 0.00 0.00 0.00 176.54 179.79 1xgr h ASN 27 N 0.66 0.24 -0.04 0.19 2.35 -1.37 0.98 115.58 118.59 1xgr h ASN 27 Ca 0.35 0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.97 1xgr h ASN 27 Cb 0.49 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xgr h ASN 27 CO -0.13 0.16 -0.70 -0.50 -1.65 0.00 0.00 177.43 174.61 1xgr h TRP 28 N 0.41 0.89 -0.09 1.19 4.06 -1.53 -1.87 115.95 119.01 1xgr h TRP 28 Ca 0.27 -0.37 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1xgr h TRP 28 Cb 0.29 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1xgr h TRP 28 CO -0.15 1.17 0.04 0.28 -3.56 0.00 0.00 178.44 176.21 1xgr h VAL 29 N 0.48 1.12 -0.63 1.49 2.07 -1.07 -0.13 116.25 119.57 1xgr h VAL 29 Ca -0.03 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1xgr h VAL 29 Cb 1.30 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1xgr h VAL 29 CO 0.14 0.10 0.36 0.00 0.02 0.00 0.00 177.57 178.19 1xgr h ALA 31 N 1.31 1.02 -0.51 0.00 0.00 -1.10 -2.36 119.26 117.62 1xgr h ALA 31 Ca 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xgr h ALA 31 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xgr h ALA 31 CO -0.15 0.62 0.24 0.00 0.00 0.00 0.00 179.25 179.96 1xgr h ALA 32 N 1.17 0.66 0.30 0.00 0.00 -0.06 -1.46 119.26 119.87 1xgr h ALA 32 Ca 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xgr h ALA 32 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xgr h ALA 32 CO -0.03 0.23 -0.48 -0.22 0.00 0.00 0.00 179.25 178.76 1xgr h LYS 33 N 0.69 -0.79 -0.00 0.00 1.63 -0.49 -1.85 116.57 115.76 1xgr h LYS 33 Ca 0.18 0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.94 1xgr h LYS 33 Cb 0.12 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1xgr h LYS 33 CO -0.02 -0.53 -0.41 0.74 -3.45 0.00 0.00 179.45 175.78 1xgr h PHE 34 N -0.82 0.00 -0.03 1.91 0.04 -1.45 0.29 116.94 116.88 1xgr h PHE 34 Ca -0.03 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 1xgr h PHE 34 Cb 0.76 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.92 1xgr h PHE 34 CO -0.34 0.41 -0.72 0.93 -0.60 0.00 0.00 178.31 177.99 1xgr h GLU 35 N 0.00 0.55 0.00 1.51 4.39 -1.17 -3.43 114.58 116.43 1xgr h GLU 35 Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1xgr h GLU 35 Cb 0.72 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1xgr h GLU 35 CO 0.05 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1xgr n SER 36 N -4.10 0.00 -3.13 1.42 3.41 -0.74 -4.81 113.62 105.67 1xgr n SER 36 Ca -0.10 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.32 1xgr n SER 36 Cb 0.73 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.75 1xgr n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xgr n ASN 37 N 0.00 -4.76 -1.96 4.04 3.02 0.09 -2.48 115.26 113.21 1xgr n ASN 37 Ca 0.00 -0.48 -0.20 0.00 -0.03 0.00 0.00 54.58 53.87 1xgr n ASN 37 Cb 0.29 -4.41 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 1xgr n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xgr n PHE 38 N -4.39 -0.56 -3.55 3.10 3.72 -1.21 -4.75 117.46 109.82 1xgr n PHE 38 Ca -0.06 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.93 1xgr n PHE 38 Cb 0.58 -3.62 -0.11 0.00 -0.94 0.00 0.00 39.48 35.39 1xgr n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xgr s ASN 39 N -2.38 5.92 0.54 4.37 2.47 -1.03 -0.05 114.94 124.77 1xgr s ASN 39 Ca 0.00 -0.68 0.33 0.00 0.42 0.00 0.00 52.86 52.93 1xgr s ASN 39 Cb 0.00 -2.10 1.29 0.00 -1.45 0.00 0.00 41.25 38.99 1xgr s ASN 39 CO 0.00 -0.32 1.95 0.71 -3.72 0.00 0.00 177.10 175.73 1xgr h THR 40 N 5.63 0.00 -0.01 -5.21 1.35 -0.93 -2.95 112.91 110.80 1xgr h THR 40 Ca -0.29 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1xgr h THR 40 Cb 1.13 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1xgr h THR 40 CO 0.66 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.72 1xgr n GLN 41 N -3.07 0.70 -1.72 4.72 1.13 -1.26 -3.88 117.38 113.99 1xgr n GLN 41 Ca 0.01 -0.35 -0.42 0.00 -1.94 0.00 0.00 57.00 54.30 1xgr n GLN 41 Cb 0.32 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 1xgr n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xgr n ALA 42 N -0.85 2.81 -2.86 -1.58 0.00 -1.12 -4.79 120.51 112.12 1xgr n ALA 42 Ca 0.12 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1xgr n ALA 42 Cb 0.32 -2.52 -0.12 0.00 0.00 0.00 0.00 19.45 17.14 1xgr n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xgr s THR 43 N 0.94 0.52 -0.11 0.00 -4.23 -1.26 -1.32 115.64 110.18 1xgr s THR 43 Ca 0.73 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1xgr s THR 43 Cb -0.50 -0.58 0.05 0.00 1.34 0.00 0.00 72.50 72.81 1xgr s THR 43 CO 0.35 -0.36 0.26 0.21 -0.54 0.00 0.00 174.62 174.54 1xgr s ASN 44 N -1.49 -0.19 0.29 3.99 2.47 -0.67 -4.95 114.94 114.38 1xgr s ASN 44 Ca -0.10 0.55 -0.24 0.00 0.42 0.00 0.00 52.86 53.50 1xgr s ASN 44 Cb -0.10 0.46 -0.09 0.00 -1.45 0.00 0.00 41.25 40.08 1xgr s ASN 44 CO 0.00 -0.18 0.86 -0.13 -3.72 0.00 0.00 177.10 173.94 1xgr s ARG 45 N 1.43 4.45 0.31 0.43 0.52 -1.26 -0.85 118.95 123.98 1xgr s ARG 45 Ca -0.08 1.15 0.11 0.00 -0.52 0.00 0.00 55.73 56.39 1xgr s ARG 45 Cb -0.11 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1xgr s ARG 45 CO -0.09 0.32 -0.13 -0.80 0.02 0.00 0.00 175.30 174.62 1xgr s ASN 46 N -1.64 3.79 0.41 0.23 0.01 -0.85 -4.97 114.94 111.92 1xgr s ASN 46 Ca 0.48 -1.04 0.18 0.00 -0.71 0.00 0.00 52.86 51.77 1xgr s ASN 46 Cb -0.18 -0.39 1.10 0.00 0.41 0.00 0.00 41.25 42.19 1xgr s ASN 46 CO 0.22 -0.07 1.83 0.74 -1.51 0.00 0.00 177.10 178.31 1xgr h THR 47 N 2.10 0.63 -3.41 1.60 2.02 -1.98 -3.40 112.91 110.47 1xgr h THR 47 Ca -0.41 -0.14 -0.46 0.00 0.77 0.00 0.00 66.41 66.17 1xgr h THR 47 Cb 1.25 0.20 0.09 0.00 -1.74 0.00 0.00 68.15 67.95 1xgr h THR 47 CO 0.64 0.07 0.21 1.51 0.37 0.00 0.00 175.52 178.33 1xgr s ASP 48 N -5.52 4.52 0.00 4.18 3.84 -1.26 -4.91 116.67 117.52 1xgr s ASP 48 Ca -0.08 0.24 0.00 0.00 -0.00 0.00 0.00 52.55 52.71 1xgr s ASP 48 Cb 0.23 -0.78 0.00 0.00 -1.38 0.00 0.00 42.92 41.00 1xgr s ASP 48 CO 0.79 -1.78 0.32 0.61 -0.00 0.00 0.00 175.17 175.11 1xgr n GLY 49 N -2.98 0.19 3.90 2.12 0.00 -1.26 -4.80 105.19 102.36 1xgr n GLY 49 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1xgr n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgr s SER 50 N -0.98 6.30 0.01 1.61 1.04 -1.26 -4.52 113.70 115.90 1xgr s SER 50 Ca 0.00 0.92 -0.00 0.00 0.48 0.00 0.00 55.95 57.35 1xgr s SER 50 Cb 0.00 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1xgr s SER 50 CO 0.00 -0.53 -0.02 -0.89 0.98 0.00 0.00 173.24 172.78 1xgr s THR 51 N -2.66 0.07 -0.11 2.02 2.01 -1.26 -2.02 115.64 113.70 1xgr s THR 51 Ca 0.47 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 1xgr s THR 51 Cb -0.10 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 1xgr s THR 51 CO 0.42 -0.33 0.22 -1.81 -0.69 0.00 0.00 174.62 172.43 1xgr s ASP 52 N -0.97 6.47 0.07 3.53 1.01 -0.03 -0.52 116.67 126.24 1xgr s ASP 52 Ca -0.11 0.55 0.07 0.00 0.71 0.00 0.00 52.55 53.78 1xgr s ASP 52 Cb -0.07 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 1xgr s ASP 52 CO -0.01 0.32 -0.19 -0.31 0.21 0.00 0.00 175.17 175.19 1xgr s TYR 53 N -0.65 1.62 0.05 4.23 1.51 -0.37 -1.66 117.35 122.08 1xgr s TYR 53 Ca 0.16 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1xgr s TYR 53 Cb -0.13 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1xgr s TYR 53 CO 0.05 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1xgr n GLY 54 N 1.43 -2.14 0.24 0.71 0.00 -0.43 -1.07 105.19 103.93 1xgr n GLY 54 Ca -0.19 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.53 1xgr n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xgr h ILE 55 N -0.21 0.00 0.00 -0.61 2.10 -1.67 -1.03 117.51 116.09 1xgr h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1xgr h ILE 55 Cb 0.21 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1xgr h ILE 55 CO 0.00 0.00 -0.02 0.18 -1.08 0.00 0.00 178.15 177.23 1xgr n LEU 56 N -2.58 2.00 -4.00 2.19 4.77 -1.26 -4.24 117.00 113.89 1xgr n LEU 56 Ca -0.02 -2.39 -0.41 0.00 -0.03 0.00 0.00 56.01 53.16 1xgr n LEU 56 Cb 0.13 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1xgr n LEU 56 CO 0.13 0.57 -0.18 0.00 -1.33 0.00 0.00 177.39 176.57 1xgr n GLN 57 N -0.89 -0.58 -2.82 3.23 1.13 -0.39 -4.91 117.38 112.14 1xgr n GLN 57 Ca 0.07 0.25 -0.42 0.00 -1.94 0.00 0.00 57.00 54.97 1xgr n GLN 57 Cb 0.46 -2.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.28 1xgr n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xgr s ILE 58 N -3.39 4.84 0.22 5.09 1.01 -0.23 -4.47 121.20 124.27 1xgr s ILE 58 Ca 0.37 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 1xgr s ILE 58 Cb -0.20 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 1xgr s ILE 58 CO 0.95 0.01 1.36 0.21 0.00 0.00 0.00 174.94 177.47 1xgr s ASN 59 N 1.14 6.79 0.00 3.58 3.84 -1.26 -1.24 114.94 127.79 1xgr s ASN 59 Ca 0.41 2.51 0.26 0.00 0.21 0.00 0.00 52.86 56.25 1xgr s ASN 59 Cb -0.17 -2.62 1.48 0.00 -0.55 0.00 0.00 41.25 39.40 1xgr s ASN 59 CO 0.13 -0.60 1.96 -1.54 -2.79 0.00 0.00 177.10 174.26 1xgr n SER 60 N 2.50 0.14 0.02 -4.21 3.41 0.32 -1.69 113.62 114.11 1xgr n SER 60 Ca 0.06 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1xgr n SER 60 Cb 0.42 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1xgr n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xgr h ARG 61 N 0.20 0.08 0.00 4.33 2.47 -1.84 -3.42 114.38 116.21 1xgr h ARG 61 Ca 0.00 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1xgr h ARG 61 Cb 0.04 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1xgr h ARG 61 CO 0.00 0.82 -1.03 0.91 0.56 0.00 0.00 179.97 181.23 1xgr n TRP 62 N -3.25 0.00 0.00 3.04 7.02 -1.21 -1.52 117.44 121.52 1xgr n TRP 62 Ca -0.14 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.18 1xgr n TRP 62 Cb 1.02 -0.02 -0.14 0.00 -2.42 0.00 0.00 31.31 29.75 1xgr n TRP 62 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1xgr h TRP 63 N -0.01 0.28 -3.84 -5.99 4.06 -1.60 1.56 115.95 110.41 1xgr h TRP 63 Ca -0.01 -0.21 -0.29 0.00 2.06 0.00 0.00 58.89 60.44 1xgr h TRP 63 Cb 1.02 -0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 29.02 1xgr h TRP 63 CO -0.00 1.41 -0.65 0.00 -3.56 0.00 0.00 178.44 175.63 1xgr s ASN 65 N -3.19 3.98 -0.04 0.00 2.47 -0.56 -4.48 114.94 113.12 1xgr s ASN 65 Ca 0.27 -0.39 0.09 0.00 0.42 0.00 0.00 52.86 53.25 1xgr s ASN 65 Cb 0.06 -1.63 0.24 0.00 -1.45 0.00 0.00 41.25 38.47 1xgr s ASN 65 CO 0.06 0.09 1.18 -0.90 -3.72 0.00 0.00 177.10 173.81 1xgr n ASP 66 N 4.01 2.70 0.00 -4.21 5.68 -1.26 -1.44 116.55 122.02 1xgr n ASP 66 Ca -0.18 -2.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1xgr n ASP 66 Cb 0.52 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1xgr n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xgr n GLY 67 N -0.21 0.27 1.93 6.12 0.00 -1.26 -4.76 105.19 107.28 1xgr n GLY 67 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1xgr n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xgr n ARG 68 N -1.77 0.85 -4.03 1.61 1.85 -1.26 -5.05 116.66 108.86 1xgr n ARG 68 Ca 0.00 -2.69 -0.31 0.00 -1.00 0.00 0.00 57.85 53.85 1xgr n ARG 68 Cb 0.04 -0.75 -0.16 0.00 -1.05 0.00 0.00 32.46 30.54 1xgr n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1xgr s THR 69 N -1.71 1.66 0.16 8.89 2.01 -1.26 -4.88 115.64 120.50 1xgr s THR 69 Ca 0.33 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 1xgr s THR 69 Cb 0.37 -1.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 1xgr s THR 69 CO -0.11 0.42 1.44 -2.16 -0.69 0.00 0.00 174.62 173.52 1xgr s PRO 70 N 1.44 4.29 -0.40 4.92 0.04 -1.26 -2.76 135.00 141.26 1xgr s PRO 70 Ca 0.04 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1xgr s PRO 70 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1xgr s PRO 70 CO -0.11 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1xgr n GLY 71 N 3.30 0.38 3.74 0.56 0.00 -1.26 -4.90 105.19 107.01 1xgr n GLY 71 Ca 0.11 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1xgr n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xgr s SER 72 N -2.86 6.66 -0.01 1.61 0.15 -1.11 -4.81 113.70 113.33 1xgr s SER 72 Ca 0.00 2.63 0.14 0.00 0.70 0.00 0.00 55.95 59.42 1xgr s SER 72 Cb 0.00 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.51 1xgr s SER 72 CO 0.00 -0.72 0.43 0.54 1.20 0.00 0.00 173.24 174.69 1xgr n ARG 73 N 2.74 1.43 -4.22 5.44 1.74 -0.57 -5.01 116.66 118.22 1xgr n ARG 73 Ca 0.08 -0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1xgr n ARG 73 Cb 0.40 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 1xgr n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xgr n ASN 74 N -1.67 -0.95 -0.19 0.55 2.85 -0.93 -4.87 115.26 110.05 1xgr n ASN 74 Ca -0.00 -1.28 -0.02 0.00 -0.11 0.00 0.00 54.58 53.17 1xgr n ASN 74 Cb 0.29 -1.67 0.09 0.00 1.24 0.00 0.00 39.78 39.73 1xgr n ASN 74 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1xgr h LEU 75 N -2.11 0.31 0.00 1.20 -0.00 0.22 -0.69 115.31 114.24 1xgr h LEU 75 Ca -0.68 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1xgr h LEU 75 Cb 1.40 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1xgr h LEU 75 CO 0.64 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 179.28 1xgr n ASN 77 N -1.12 -4.18 -3.73 0.00 4.05 -0.27 -4.97 115.26 105.05 1xgr n ASN 77 Ca 0.16 -1.11 -0.14 0.00 0.45 0.00 0.00 54.58 53.95 1xgr n ASN 77 Cb 0.13 -2.80 -0.09 0.00 1.23 0.00 0.00 39.78 38.25 1xgr n ASN 77 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1xgr s ILE 78 N -3.57 0.04 0.18 -1.44 1.10 -1.26 -5.07 121.20 111.18 1xgr s ILE 78 Ca 0.41 -0.31 -0.30 0.00 -0.51 0.00 0.00 60.65 59.94 1xgr s ILE 78 Cb -0.17 -0.64 -0.08 0.00 0.15 0.00 0.00 42.46 41.72 1xgr s ILE 78 CO 0.90 -0.17 1.21 -2.84 -2.11 0.00 0.00 174.94 171.92 1xgr s PRO 79 N -0.95 4.48 0.53 3.50 0.02 -1.26 -1.49 135.00 139.84 1xgr s PRO 79 Ca -0.10 1.89 0.22 0.00 0.02 0.00 0.00 61.00 63.02 1xgr s PRO 79 Cb -0.04 -3.24 1.38 0.00 0.02 0.00 0.00 34.50 32.62 1xgr s PRO 79 CO 0.04 -0.10 2.08 0.00 -0.33 0.00 0.00 177.00 178.69 1xgr h SER 81 N 0.00 0.00 0.67 0.00 4.64 -1.91 -0.29 113.55 116.66 1xgr h SER 81 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1xgr h SER 81 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xgr h SER 81 CO -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.89 1xgr h ALA 82 N 1.99 1.08 -0.03 5.18 0.00 -1.42 -2.15 119.26 123.90 1xgr h ALA 82 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xgr h ALA 82 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xgr h ALA 82 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1xgr n LEU 83 N -3.28 0.85 -0.52 0.00 4.77 -0.12 -3.37 117.00 115.32 1xgr n LEU 83 Ca -0.01 -0.31 0.08 0.00 -0.03 0.00 0.00 56.01 55.75 1xgr n LEU 83 Cb 0.27 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1xgr n LEU 83 CO 0.28 0.15 0.39 0.18 -1.33 0.00 0.00 177.39 177.06 1xgr n LEU 84 N -0.30 2.01 -4.72 2.23 4.77 -0.81 -3.40 117.00 116.78 1xgr n LEU 84 Ca 0.19 -0.88 -0.34 0.00 -0.03 0.00 0.00 56.01 54.95 1xgr n LEU 84 Cb 0.23 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1xgr n LEU 84 CO 0.15 0.37 0.79 -0.55 -1.33 0.00 0.00 177.39 176.83 1xgr s SER 85 N -1.66 4.25 0.03 -1.43 0.15 -1.22 -4.35 113.70 109.47 1xgr s SER 85 Ca 0.16 2.33 0.24 0.00 0.70 0.00 0.00 55.95 59.38 1xgr s SER 85 Cb 0.13 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.85 1xgr s SER 85 CO 0.31 -2.22 1.75 -1.54 1.20 0.00 0.00 173.24 172.74 1xgr n SER 86 N -2.71 0.09 -4.53 5.45 3.41 -1.26 -4.44 113.62 109.64 1xgr n SER 86 Ca 0.13 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.83 1xgr n SER 86 Cb 0.50 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 1xgr n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xgr s ASP 87 N -3.17 6.29 0.00 4.04 -1.08 -1.26 -4.86 116.67 116.63 1xgr s ASP 87 Ca 0.11 -0.26 0.23 0.00 -0.52 0.00 0.00 52.55 52.11 1xgr s ASP 87 Cb 0.15 -2.28 1.29 0.00 -1.46 0.00 0.00 42.92 40.62 1xgr s ASP 87 CO 0.44 -0.60 1.77 2.30 0.52 0.00 0.00 175.17 179.60 1xgr n ILE 88 N 5.57 0.14 -0.39 4.11 -5.35 -1.26 -4.31 119.36 117.87 1xgr n ILE 88 Ca -0.04 0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.37 1xgr n ILE 88 Cb 0.48 -0.66 -0.09 0.00 -1.74 0.00 0.00 39.64 37.63 1xgr n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xgr h THR 89 N 0.00 0.00 -0.61 7.28 2.02 -1.93 -0.87 112.91 118.80 1xgr h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1xgr h THR 89 Cb 0.10 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.48 1xgr h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 1xgr h ALA 90 N 0.38 0.78 -0.45 6.16 0.00 -1.82 -1.51 119.26 122.80 1xgr h ALA 90 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xgr h ALA 90 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xgr h ALA 90 CO -0.86 0.12 0.15 0.77 0.00 0.00 0.00 179.25 179.43 1xgr h SER 91 N 0.74 0.60 -0.11 0.00 0.02 -1.60 -1.56 113.55 111.65 1xgr h SER 91 Ca 0.24 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1xgr h SER 91 Cb 0.01 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1xgr h SER 91 CO -0.10 0.57 -0.16 0.58 -1.14 0.00 0.00 176.83 176.58 1xgr h VAL 92 N 0.65 1.38 -0.68 2.27 2.07 -0.76 -0.86 116.25 120.32 1xgr h VAL 92 Ca 0.15 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1xgr h VAL 92 Cb 0.18 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1xgr h VAL 92 CO -0.01 0.40 0.43 0.78 0.02 0.00 0.00 177.57 179.19 1xgr h ASN 93 N -0.13 0.70 -0.55 0.57 -0.26 -1.14 0.77 115.58 115.55 1xgr h ASN 93 Ca 0.01 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 1xgr h ASN 93 Cb 0.72 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 1xgr h ASN 93 CO 0.04 0.49 0.02 0.00 -1.06 0.00 0.00 177.43 176.92 1xgr h ALA 95 N 0.97 0.56 -0.50 0.00 0.00 -0.53 -0.77 119.26 118.98 1xgr h ALA 95 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xgr h ALA 95 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xgr h ALA 95 CO 0.02 0.06 0.34 0.87 0.00 0.00 0.00 179.25 180.54 1xgr h LYS 96 N 0.58 0.38 -0.00 0.00 1.57 -0.64 0.29 116.57 118.74 1xgr h LYS 96 Ca 0.16 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 1xgr h LYS 96 Cb 0.02 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xgr h LYS 96 CO -0.03 0.25 -0.98 -0.22 -0.57 0.00 0.00 179.45 177.91 1xgr h LYS 97 N 0.40 0.52 0.17 3.15 3.64 -0.92 -2.66 116.57 120.87 1xgr h LYS 97 Ca 0.22 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1xgr h LYS 97 Cb 0.36 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1xgr h LYS 97 CO -0.06 1.19 -0.08 0.82 -2.27 0.00 0.00 179.45 179.05 1xgr h ILE 98 N 0.29 0.91 0.00 2.00 2.04 -0.07 -2.41 117.51 120.27 1xgr h ILE 98 Ca -0.10 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1xgr h ILE 98 Cb 1.62 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1xgr h ILE 98 CO 0.18 0.09 0.00 0.55 0.00 0.00 0.00 178.15 178.97 1xgr n VAL 99 N -5.11 1.51 1.33 1.67 3.14 -0.02 -1.66 118.33 119.20 1xgr n VAL 99 Ca -0.09 0.38 0.14 0.00 -2.96 0.00 0.00 64.34 61.82 1xgr n VAL 99 Cb 0.18 -1.27 0.62 0.00 -1.06 0.00 0.00 33.84 32.31 1xgr n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1xgr n SER 100 N -1.52 0.31 -4.88 6.55 7.64 -0.91 -3.96 113.62 116.85 1xgr n SER 100 Ca 0.02 -0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.28 1xgr n SER 100 Cb 0.08 -0.15 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1xgr n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xgr s ASP 101 N -2.60 5.92 0.60 6.43 2.15 -0.66 -4.93 116.67 123.57 1xgr s ASP 101 Ca 0.26 1.22 0.28 0.00 0.43 0.00 0.00 52.55 54.74 1xgr s ASP 101 Cb 0.20 -2.21 1.31 0.00 -0.30 0.00 0.00 42.92 41.92 1xgr s ASP 101 CO 0.50 -1.01 1.70 1.23 -0.17 0.00 0.00 175.17 177.41 1xgr h GLY 102 N -0.37 0.00 -0.40 2.66 0.00 -1.88 -1.16 103.07 101.92 1xgr h GLY 102 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xgr h GLY 102 CO 0.62 0.00 -0.12 1.16 0.00 0.00 0.00 176.54 178.21 1xgr n ASN 103 N -3.53 1.51 0.00 0.19 0.23 -1.26 -5.03 115.26 107.37 1xgr n ASN 103 Ca 0.13 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 1xgr n ASN 103 Cb 0.95 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.73 1xgr n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xgr n GLY 104 N 1.26 2.51 0.00 4.83 0.00 -0.44 -1.60 105.19 111.75 1xgr n GLY 104 Ca 0.16 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1xgr n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xgr n MET 105 N 14.00 0.18 0.00 1.61 2.81 -1.26 -3.03 117.12 131.43 1xgr n MET 105 Ca 0.00 0.15 0.04 0.00 -1.81 0.00 0.00 57.70 56.09 1xgr n MET 105 Cb 0.00 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.23 1xgr n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xgr n ASN 106 N -1.33 0.00 0.20 7.83 3.02 -0.63 -1.54 115.26 122.81 1xgr n ASN 106 Ca 0.07 -0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1xgr n ASN 106 Cb 0.14 -0.17 0.41 0.00 -0.61 0.00 0.00 39.78 39.55 1xgr n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xgr h ALA 107 N 2.44 1.14 -2.07 5.41 0.00 -1.72 -3.38 119.26 121.09 1xgr h ALA 107 Ca 0.00 -0.30 -0.74 0.00 0.00 0.00 0.00 54.91 53.87 1xgr h ALA 107 Cb 0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 1xgr h ALA 107 CO 0.00 0.41 -0.07 -1.58 0.00 0.00 0.00 179.25 178.02 1xgr s TRP 108 N -3.87 3.19 0.26 0.00 0.51 -0.59 -4.94 118.94 113.51 1xgr s TRP 108 Ca -0.01 -1.22 -0.04 0.00 -2.12 0.00 0.00 56.10 52.71 1xgr s TRP 108 Cb 0.12 -3.88 0.52 0.00 -0.81 0.00 0.00 33.47 29.42 1xgr s TRP 108 CO 0.68 -1.12 1.66 0.28 -0.51 0.00 0.00 176.95 177.93 1xgr h VAL 109 N 5.83 0.40 -0.72 4.03 2.07 -1.86 0.12 116.25 126.12 1xgr h VAL 109 Ca -0.27 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1xgr h VAL 109 Cb 1.09 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1xgr h VAL 109 CO 1.04 0.03 0.48 0.00 0.02 0.00 0.00 177.57 179.15 1xgr h ALA 110 N 1.69 1.59 -0.43 1.67 0.00 -1.96 0.26 119.26 122.08 1xgr h ALA 110 Ca 0.45 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1xgr h ALA 110 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xgr h ALA 110 CO -0.61 0.33 -0.13 2.35 0.00 0.00 0.00 179.25 181.20 1xgr h TRP 111 N 0.87 0.97 -0.01 0.00 7.01 -1.12 0.37 115.95 124.04 1xgr h TRP 111 Ca 0.29 -0.22 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1xgr h TRP 111 Cb 0.07 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1xgr h TRP 111 CO -0.00 0.97 0.00 0.00 -2.79 0.00 0.00 178.44 176.63 1xgr h ARG 112 N 0.68 0.02 -0.46 2.65 3.08 -0.51 1.43 114.38 121.28 1xgr h ARG 112 Ca 0.11 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1xgr h ARG 112 Cb 0.68 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1xgr h ARG 112 CO 0.05 0.18 -0.23 -0.91 -1.07 0.00 0.00 179.97 177.99 1xgr h ASN 113 N -0.15 0.98 -0.05 7.04 -0.26 -0.97 -3.29 115.58 118.89 1xgr h ASN 113 Ca 0.00 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.37 1xgr h ASN 113 Cb 0.17 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1xgr h ASN 113 CO -0.00 1.16 0.00 0.54 -1.06 0.00 0.00 177.43 178.07 1xgr n ARG 114 N -4.10 1.45 0.00 0.81 3.00 0.12 -4.85 116.66 113.08 1xgr n ARG 114 Ca -0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 57.85 56.62 1xgr n ARG 114 Cb 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 31.87 1xgr n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xgr n LYS 116 N -2.25 1.23 -2.15 0.00 4.81 0.44 -1.63 118.16 118.61 1xgr n LYS 116 Ca 0.00 0.43 -0.04 0.00 -0.87 0.00 0.00 58.31 57.83 1xgr n LYS 116 Cb 0.11 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1xgr n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xgr n GLY 117 N 4.83 0.29 3.62 3.14 0.00 -1.26 -4.92 105.19 110.89 1xgr n GLY 117 Ca 0.30 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1xgr n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xgr s THR 118 N -2.29 1.20 -1.39 2.61 -4.23 -0.65 -5.01 115.64 105.88 1xgr s THR 118 Ca 0.01 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1xgr s THR 118 Cb -0.01 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.29 1xgr s THR 118 CO 0.02 0.00 2.60 -0.67 -0.54 0.00 0.00 174.62 176.02 1xgr n ASP 119 N -1.12 6.80 0.31 3.99 2.03 -1.26 -4.69 116.55 122.60 1xgr n ASP 119 Ca -0.10 -2.56 0.14 0.00 0.52 0.00 0.00 54.79 52.79 1xgr n ASP 119 Cb 0.66 -1.44 0.73 0.00 -0.72 0.00 0.00 41.12 40.36 1xgr n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1xgr h VAL 120 N 3.34 0.00 0.00 5.18 -1.51 -1.93 0.17 116.25 121.50 1xgr h VAL 120 Ca 0.72 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.19 1xgr h VAL 120 Cb 0.33 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1xgr h VAL 120 CO 1.73 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.74 1xgr n GLN 121 N -2.75 0.05 0.24 5.19 7.27 -1.26 -1.80 117.38 124.32 1xgr n GLN 121 Ca -0.02 0.30 0.07 0.00 0.07 0.00 0.00 57.00 57.42 1xgr n GLN 121 Cb 0.38 -1.60 0.58 0.00 2.41 0.00 0.00 30.24 32.01 1xgr n GLN 121 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xgr h ALA 122 N 2.43 1.80 0.00 1.69 0.00 -1.04 -1.94 119.26 122.20 1xgr h ALA 122 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xgr h ALA 122 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xgr h ALA 122 CO 0.00 0.13 -0.18 -1.49 0.00 0.00 0.00 179.25 177.71 1xgr h TRP 123 N 0.00 0.00 -0.01 0.00 4.06 -1.57 -3.07 115.95 115.37 1xgr h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xgr h TRP 123 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 1xgr h TRP 123 CO 0.00 0.18 -0.26 0.44 -3.56 0.00 0.00 178.44 175.24 1xgr n ILE 124 N -3.49 0.00 -2.24 1.49 -6.64 -1.00 -4.92 119.36 102.56 1xgr n ILE 124 Ca -0.01 -0.37 -0.42 0.00 -1.77 0.00 0.00 62.75 60.18 1xgr n ILE 124 Cb 0.34 1.09 -0.03 0.00 -1.44 0.00 0.00 39.64 39.61 1xgr n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 1xgr s ARG 125 N -1.47 4.24 0.00 6.28 3.52 -0.76 -2.63 118.95 128.13 1xgr s ARG 125 Ca 0.07 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1xgr s ARG 125 Cb 0.08 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1xgr s ARG 125 CO 0.28 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 1xgr n GLY 126 N 3.75 2.26 3.76 8.12 0.00 -1.26 -4.98 105.19 116.84 1xgr n GLY 126 Ca 0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1xgr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgr n ARG 128 N 1.13 4.16 0.00 0.00 5.12 -1.26 -5.10 116.66 120.71 1xgr n ARG 128 Ca 0.00 -3.43 0.13 0.00 -1.93 0.00 0.00 57.85 52.62 1xgr n ARG 128 Cb 0.43 -2.47 0.22 0.00 -1.16 0.00 0.00 32.46 29.48 1xgr n ARG 128 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17