#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3b s VAL 2 N 0.00 5.18 0.47 3.15 1.01 -1.26 -1.00 120.40 127.96 3g3b s VAL 2 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3g3b s VAL 2 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3g3b s VAL 2 CO 0.00 -0.23 0.98 -0.36 0.00 0.00 0.00 175.10 175.50 3g3b s PHE 3 N 1.68 3.26 0.66 5.22 0.40 -0.42 -4.99 117.98 123.78 3g3b s PHE 3 Ca 0.05 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.84 3g3b s PHE 3 Cb -0.19 -2.89 -0.02 0.00 0.51 0.00 0.00 43.02 40.44 3g3b s PHE 3 CO 0.10 -0.36 1.05 0.20 0.70 0.00 0.00 175.22 176.90 3g3b s GLY 4 N -2.38 1.66 0.10 4.36 0.00 -1.26 -4.81 107.32 104.99 3g3b s GLY 4 Ca 0.62 -0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 3g3b s GLY 4 CO 0.20 0.23 1.63 -0.09 0.00 0.00 0.00 173.10 175.06 3g3b h ARG 5 N -0.50 -0.56 -0.85 2.90 2.43 -1.97 0.03 114.38 115.86 3g3b h ARG 5 Ca -0.44 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 3g3b h ARG 5 Cb 1.21 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 3g3b h ARG 5 CO 0.61 -0.37 0.47 0.00 -1.51 0.00 0.00 179.97 179.16 3g3b h GLU 7 N 1.19 0.90 -0.04 0.00 4.81 -1.89 -0.10 114.58 119.45 3g3b h GLU 7 Ca 0.30 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3g3b h GLU 7 Cb 0.02 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3g3b h GLU 7 CO -0.05 0.98 -0.00 1.25 -0.73 0.00 0.00 179.01 180.46 3g3b h LEU 8 N 0.74 0.06 -0.58 1.64 5.85 -0.74 -1.77 115.31 120.53 3g3b h LEU 8 Ca 0.12 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.65 3g3b h LEU 8 Cb 0.64 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.55 3g3b h LEU 8 CO 0.04 0.36 -0.03 0.00 -0.34 0.00 0.00 178.44 178.47 3g3b h ALA 9 N 0.71 0.52 -0.57 1.25 0.00 -0.99 0.42 119.26 120.60 3g3b h ALA 9 Ca 0.01 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3g3b h ALA 9 Cb 0.33 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3g3b h ALA 9 CO 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 179.25 178.92 3g3b h ALA 10 N 1.53 1.05 -0.30 0.00 0.00 -0.91 -2.18 119.26 118.45 3g3b h ALA 10 Ca 0.29 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3g3b h ALA 10 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3g3b h ALA 10 CO -0.51 0.61 -0.48 0.00 0.00 0.00 0.00 179.25 178.86 3g3b h ALA 11 N 1.20 0.58 -0.06 0.00 0.00 -0.55 -2.37 119.26 118.06 3g3b h ALA 11 Ca 0.18 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3g3b h ALA 11 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3g3b h ALA 11 CO 0.01 0.68 -0.42 0.52 0.00 0.00 0.00 179.25 180.04 3g3b h MET 12 N 0.64 0.12 -0.13 0.00 2.86 -0.79 -2.70 114.93 114.94 3g3b h MET 12 Ca 0.03 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3g3b h MET 12 Cb 1.06 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.73 3g3b h MET 12 CO 0.11 0.52 -0.47 -0.22 1.06 0.00 0.00 176.91 177.90 3g3b h LYS 13 N 0.10 0.54 0.00 1.72 3.64 -1.33 -1.80 116.57 119.44 3g3b h LYS 13 Ca 0.01 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3g3b h LYS 13 Cb 0.78 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3g3b h LYS 13 CO 0.06 1.04 0.00 2.89 -2.27 0.00 0.00 179.45 181.17 3g3b n ARG 14 N -4.24 0.13 -0.61 1.90 1.85 -0.90 -1.66 116.66 113.13 3g3b n ARG 14 Ca -0.07 0.38 0.08 0.00 -1.00 0.00 0.00 57.85 57.24 3g3b n ARG 14 Cb 0.58 -1.75 0.32 0.00 -1.05 0.00 0.00 32.46 30.57 3g3b n ARG 14 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3g3b n HIS 15 N -1.98 1.40 -1.81 2.89 8.25 -1.03 -4.99 115.22 117.94 3g3b n HIS 15 Ca 0.02 -0.72 -0.07 0.00 -0.26 0.00 0.00 57.72 56.69 3g3b n HIS 15 Cb 0.20 -0.33 -0.01 0.00 1.12 0.00 0.00 29.99 30.96 3g3b n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3b n GLY 16 N 0.39 0.36 0.11 -1.41 0.00 -0.67 -4.96 105.19 99.02 3g3b n GLY 16 Ca 0.24 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3g3b n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3b h LEU 17 N 0.00 0.00 -8.95 0.99 3.38 -1.52 -3.40 115.31 105.81 3g3b h LEU 17 Ca -0.15 -0.09 -0.58 0.00 0.09 0.00 0.00 57.88 57.14 3g3b h LEU 17 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3g3b h LEU 17 CO 0.19 0.04 1.46 -0.62 0.09 0.00 0.00 178.44 179.61 3g3b s ASP 18 N -4.96 5.49 0.00 -0.43 2.15 -1.26 -2.13 116.67 115.53 3g3b s ASP 18 Ca 0.04 1.76 0.00 0.00 0.43 0.00 0.00 52.55 54.78 3g3b s ASP 18 Cb 0.11 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3g3b s ASP 18 CO 0.74 -1.95 0.00 -3.20 -0.17 0.00 0.00 175.17 170.58 3g3b n ASN 19 N 11.60 -0.75 -4.68 -0.34 5.15 0.12 -4.89 115.26 121.46 3g3b n ASN 19 Ca 0.29 0.00 -0.47 0.00 -0.60 0.00 0.00 54.58 53.80 3g3b n ASN 19 Cb 0.46 -0.13 -0.04 0.00 -0.53 0.00 0.00 39.78 39.54 3g3b n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g3b n TYR 20 N -2.25 2.34 -2.95 1.20 9.36 -0.91 0.65 117.16 124.60 3g3b n TYR 20 Ca 0.00 0.02 -0.11 0.00 3.32 0.00 0.00 57.90 61.13 3g3b n TYR 20 Cb 0.00 -2.65 -0.02 0.00 -0.63 0.00 0.00 39.34 36.04 3g3b n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3g3b n ARG 21 N 6.03 -2.53 -0.28 2.98 1.74 -1.26 -0.96 116.66 122.38 3g3b n ARG 21 Ca 0.21 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3g3b n ARG 21 Cb 0.30 -4.66 0.00 0.00 -1.02 0.00 0.00 32.46 27.08 3g3b n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3b n GLY 22 N -0.69 0.68 3.50 -0.13 0.00 0.21 -5.05 105.19 103.71 3g3b n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3g3b n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3b s TYR 23 N -2.48 3.22 0.72 1.61 2.02 -0.14 -4.85 117.35 117.45 3g3b s TYR 23 Ca 0.00 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3g3b s TYR 23 Cb 0.00 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3g3b s TYR 23 CO 0.00 -0.40 1.08 -1.54 -1.57 0.00 0.00 175.55 173.12 3g3b s SER 24 N 1.69 4.97 0.28 2.29 1.04 -1.26 0.11 113.70 122.82 3g3b s SER 24 Ca 0.06 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.29 3g3b s SER 24 Cb -0.17 -2.52 0.62 0.00 0.10 0.00 0.00 66.02 64.05 3g3b s SER 24 CO 0.09 -1.72 1.73 0.25 0.98 0.00 0.00 173.24 174.57 3g3b h LEU 25 N -0.68 0.41 -1.67 2.42 5.85 -1.90 -1.18 115.31 118.54 3g3b h LEU 25 Ca -0.44 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.50 3g3b h LEU 25 Cb 1.23 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3g3b h LEU 25 CO 0.54 0.10 0.40 1.23 -0.34 0.00 0.00 178.44 180.37 3g3b h GLY 26 N 0.50 0.52 0.83 3.75 0.00 -1.92 0.45 103.07 107.20 3g3b h GLY 26 Ca 0.51 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.74 3g3b h GLY 26 CO -0.45 0.09 0.63 3.43 0.00 0.00 0.00 176.54 180.24 3g3b h ASN 27 N 0.36 1.02 0.11 0.19 2.35 -1.41 0.53 115.58 118.73 3g3b h ASN 27 Ca 0.28 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 3g3b h ASN 27 Cb 0.59 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.76 3g3b h ASN 27 CO -0.07 0.67 -0.78 -0.50 -1.65 0.00 0.00 177.43 175.10 3g3b h TRP 28 N 1.17 0.58 -0.10 1.19 4.06 -1.05 -1.69 115.95 120.11 3g3b h TRP 28 Ca 0.41 -0.39 0.03 0.00 2.06 0.00 0.00 58.89 61.00 3g3b h TRP 28 Cb 0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.19 3g3b h TRP 28 CO -0.00 1.28 -0.11 0.28 -3.56 0.00 0.00 178.44 176.32 3g3b h VAL 29 N -0.27 0.68 -0.99 1.49 2.07 -1.46 -1.80 116.25 115.97 3g3b h VAL 29 Ca -0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3g3b h VAL 29 Cb 1.57 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 3g3b h VAL 29 CO 0.15 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.38 3g3b h ALA 31 N 1.45 0.40 -0.04 0.00 0.00 -1.07 -3.03 119.26 116.97 3g3b h ALA 31 Ca 0.42 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3g3b h ALA 31 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3g3b h ALA 31 CO -0.16 -0.02 -0.23 0.00 0.00 0.00 0.00 179.25 178.84 3g3b h ALA 32 N 0.99 1.54 -0.15 0.00 0.00 -1.01 -2.49 119.26 118.13 3g3b h ALA 32 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3g3b h ALA 32 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g3b h ALA 32 CO -0.01 0.34 0.06 -0.22 0.00 0.00 0.00 179.25 179.42 3g3b h LYS 33 N 0.06 0.23 0.00 0.00 1.63 -1.34 -1.42 116.57 115.73 3g3b h LYS 33 Ca 0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3g3b h LYS 33 Cb 0.45 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3g3b h LYS 33 CO 0.03 0.31 -0.37 1.19 -3.45 0.00 0.00 179.45 177.17 3g3b n PHE 34 N -4.87 0.53 0.05 1.91 3.72 -1.09 -1.10 117.46 116.62 3g3b n PHE 34 Ca -0.05 0.15 -0.22 0.00 -0.05 0.00 0.00 57.45 57.29 3g3b n PHE 34 Cb 0.12 -0.67 -0.15 0.00 -0.94 0.00 0.00 39.48 37.85 3g3b n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3g3b h GLU 35 N 0.00 0.34 0.00 -1.08 4.39 -1.33 -3.44 114.58 113.47 3g3b h GLU 35 Ca 0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3g3b h GLU 35 Cb 0.69 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3g3b h GLU 35 CO 0.00 1.28 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 3g3b n SER 36 N -3.84 0.00 -3.09 1.42 3.41 -0.58 -4.81 113.62 106.12 3g3b n SER 36 Ca -0.22 -0.67 -0.22 0.00 -0.26 0.00 0.00 58.87 57.50 3g3b n SER 36 Cb 0.96 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.94 3g3b n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3g3b n ASN 37 N 0.00 -5.57 -0.05 4.04 5.15 -0.26 -2.22 115.26 116.35 3g3b n ASN 37 Ca 0.00 -0.30 -0.01 0.00 -0.60 0.00 0.00 54.58 53.67 3g3b n ASN 37 Cb 0.17 -4.52 -0.00 0.00 -0.53 0.00 0.00 39.78 34.90 3g3b n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3g3b n PHE 38 N -4.37 0.00 -3.31 1.20 3.72 -1.21 -4.84 117.46 108.64 3g3b n PHE 38 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3g3b n PHE 38 Cb 0.60 -0.53 -0.09 0.00 -0.94 0.00 0.00 39.48 38.53 3g3b n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3b s ASN 39 N -2.14 6.21 0.58 4.37 2.47 -0.94 -1.31 114.94 124.18 3g3b s ASN 39 Ca 0.00 -0.52 0.35 0.00 0.42 0.00 0.00 52.86 53.11 3g3b s ASN 39 Cb 0.00 -2.23 1.73 0.00 -1.45 0.00 0.00 41.25 39.30 3g3b s ASN 39 CO 0.00 -0.55 2.14 0.71 -3.72 0.00 0.00 177.10 175.68 3g3b h THR 40 N 5.70 0.19 -0.46 -5.21 1.35 -1.38 -2.88 112.91 110.21 3g3b h THR 40 Ca -0.27 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3g3b h THR 40 Cb 1.12 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3g3b h THR 40 CO 0.78 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.09 3g3b n GLN 41 N -3.26 2.46 -1.95 4.72 6.02 -1.26 -3.83 117.38 120.27 3g3b n GLN 41 Ca -0.01 -2.23 -0.39 0.00 -0.01 0.00 0.00 57.00 54.36 3g3b n GLN 41 Cb 0.21 -1.51 0.01 0.00 1.02 0.00 0.00 30.24 29.97 3g3b n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3b s ALA 42 N -1.40 3.20 -0.10 -1.58 0.00 -1.09 -4.85 121.76 115.95 3g3b s ALA 42 Ca 0.40 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 3g3b s ALA 42 Cb 0.23 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.85 3g3b s ALA 42 CO 0.31 -0.99 0.36 0.99 0.00 0.00 0.00 175.76 176.42 3g3b s THR 43 N -1.26 0.02 -0.17 0.00 2.01 -1.26 -1.30 115.64 113.68 3g3b s THR 43 Ca 0.60 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 3g3b s THR 43 Cb -0.40 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 71.63 3g3b s THR 43 CO 0.51 -0.08 0.36 0.21 -0.69 0.00 0.00 174.62 174.92 3g3b s ASN 44 N -0.33 -0.08 0.04 3.53 2.47 -0.89 -4.97 114.94 114.73 3g3b s ASN 44 Ca -0.05 0.82 -0.30 0.00 0.42 0.00 0.00 52.86 53.75 3g3b s ASN 44 Cb -0.03 1.02 -0.04 0.00 -1.45 0.00 0.00 41.25 40.74 3g3b s ASN 44 CO 0.02 -0.23 1.07 -0.13 -3.72 0.00 0.00 177.10 174.12 3g3b s ARG 45 N 2.35 4.52 0.25 0.43 1.81 -1.26 -0.55 118.95 126.49 3g3b s ARG 45 Ca -0.02 1.58 0.06 0.00 -1.72 0.00 0.00 55.73 55.64 3g3b s ARG 45 Cb -0.12 -3.40 -0.03 0.00 -0.45 0.00 0.00 34.95 30.95 3g3b s ARG 45 CO -0.11 -0.11 0.25 -0.80 -0.68 0.00 0.00 175.30 173.84 3g3b s ASN 46 N 0.90 5.74 0.44 0.23 0.01 0.74 -4.97 114.94 118.04 3g3b s ASN 46 Ca 0.54 -0.17 0.24 0.00 -0.71 0.00 0.00 52.86 52.77 3g3b s ASN 46 Cb -0.25 -1.52 0.85 0.00 0.41 0.00 0.00 41.25 40.74 3g3b s ASN 46 CO 0.29 -0.06 1.79 0.71 -1.51 0.00 0.00 177.10 178.32 3g3b h THR 47 N 1.39 0.48 0.00 1.60 1.35 -1.98 -2.81 112.91 112.95 3g3b h THR 47 Ca -0.49 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 3g3b h THR 47 Cb 1.24 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 3g3b h THR 47 CO 0.61 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 175.18 3g3b n ASP 48 N -3.32 0.00 0.00 5.36 5.75 -1.26 -4.83 116.55 118.25 3g3b n ASP 48 Ca 0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 3g3b n ASP 48 Cb 0.45 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3g3b n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3b n GLY 49 N 0.43 0.10 3.91 6.12 0.00 -1.06 -5.02 105.19 109.67 3g3b n GLY 49 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3g3b n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3b s SER 50 N -2.08 5.46 0.02 1.61 1.04 -1.26 -4.67 113.70 113.82 3g3b s SER 50 Ca 0.00 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.30 3g3b s SER 50 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 3g3b s SER 50 CO 0.00 -1.21 -0.14 -0.89 0.98 0.00 0.00 173.24 171.98 3g3b s THR 51 N -3.14 1.10 0.13 2.02 2.01 -1.26 -0.18 115.64 116.31 3g3b s THR 51 Ca 0.56 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 3g3b s THR 51 Cb -0.11 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 3g3b s THR 51 CO 0.47 0.10 0.59 -1.81 -0.69 0.00 0.00 174.62 173.29 3g3b s ASP 52 N -0.86 6.97 -0.01 3.53 1.01 0.28 -1.11 116.67 126.47 3g3b s ASP 52 Ca 0.03 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.51 3g3b s ASP 52 Cb -0.07 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3g3b s ASP 52 CO 0.01 0.16 -0.02 -0.31 0.21 0.00 0.00 175.17 175.22 3g3b s TYR 53 N -1.33 0.30 0.00 4.23 2.02 -0.41 -2.09 117.35 120.08 3g3b s TYR 53 Ca 0.35 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3g3b s TYR 53 Cb -0.17 -0.29 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 3g3b s TYR 53 CO 0.20 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 3g3b n GLY 54 N 3.49 -2.26 0.44 0.71 0.00 -0.42 -0.93 105.19 106.23 3g3b n GLY 54 Ca -0.19 -1.65 0.25 0.00 0.00 0.00 0.00 46.02 44.43 3g3b n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3g3b h ILE 55 N 0.00 0.32 0.00 -0.61 3.07 -1.72 -1.93 117.51 116.63 3g3b h ILE 55 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3g3b h ILE 55 Cb 0.00 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 37.03 3g3b h ILE 55 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 3g3b n LEU 56 N -3.73 1.80 -3.55 0.16 4.77 -1.26 -3.85 117.00 111.34 3g3b n LEU 56 Ca 0.14 -1.80 -0.26 0.00 -0.03 0.00 0.00 56.01 54.05 3g3b n LEU 56 Cb 0.91 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.05 3g3b n LEU 56 CO 0.29 0.45 -0.04 0.00 -1.33 0.00 0.00 177.39 176.76 3g3b n GLN 57 N -0.43 -1.79 -2.94 3.23 1.13 -0.73 -4.94 117.38 110.92 3g3b n GLN 57 Ca 0.00 0.59 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 3g3b n GLN 57 Cb 0.24 -4.71 -0.04 0.00 0.11 0.00 0.00 30.24 25.83 3g3b n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3g3b s ILE 58 N -3.46 4.94 0.31 5.09 -1.09 -0.10 -4.37 121.20 122.51 3g3b s ILE 58 Ca 0.44 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 60.15 3g3b s ILE 58 Cb -0.12 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 3g3b s ILE 58 CO 0.82 0.11 0.96 0.21 -1.23 0.00 0.00 174.94 175.81 3g3b s ASN 59 N 1.05 7.37 0.00 3.58 3.84 -1.26 -1.28 114.94 128.24 3g3b s ASN 59 Ca 0.38 1.90 0.28 0.00 0.21 0.00 0.00 52.86 55.64 3g3b s ASN 59 Cb -0.17 -2.59 1.39 0.00 -0.55 0.00 0.00 41.25 39.33 3g3b s ASN 59 CO 0.15 -0.05 1.93 -1.54 -2.79 0.00 0.00 177.10 174.80 3g3b n SER 60 N 0.78 0.75 -0.05 -4.21 3.41 -0.27 -2.35 113.62 111.68 3g3b n SER 60 Ca 0.01 -1.30 -0.15 0.00 -0.26 0.00 0.00 58.87 57.17 3g3b n SER 60 Cb 0.49 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 3g3b n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g3b h ARG 61 N 1.14 0.06 0.05 4.33 9.65 -1.85 -3.42 114.38 124.34 3g3b h ARG 61 Ca 0.00 -0.08 -0.38 0.00 -1.10 0.00 0.00 59.98 58.42 3g3b h ARG 61 Cb 0.24 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3g3b h ARG 61 CO 0.00 0.98 -2.29 0.91 2.80 0.00 0.00 179.97 182.37 3g3b n TRP 62 N -4.56 0.49 -0.09 2.20 7.02 -1.25 -1.34 117.44 119.91 3g3b n TRP 62 Ca -0.10 0.10 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 3g3b n TRP 62 Cb 0.51 -1.06 -0.09 0.00 -2.42 0.00 0.00 31.31 28.24 3g3b n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3b n TRP 63 N -3.36 0.00 -4.19 -5.99 7.02 -0.99 -1.90 117.44 108.03 3g3b n TRP 63 Ca -0.41 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 55.96 3g3b n TRP 63 Cb 1.01 -0.71 -0.10 0.00 -2.42 0.00 0.00 31.31 29.09 3g3b n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g3b s ASN 65 N -3.12 4.05 0.00 0.00 2.47 -0.84 -4.36 114.94 113.14 3g3b s ASN 65 Ca 0.28 -0.39 0.10 0.00 0.42 0.00 0.00 52.86 53.27 3g3b s ASN 65 Cb 0.07 -1.66 0.24 0.00 -1.45 0.00 0.00 41.25 38.45 3g3b s ASN 65 CO 0.05 0.06 1.14 -0.90 -3.72 0.00 0.00 177.10 173.73 3g3b n ASP 66 N 4.26 2.63 0.00 -4.21 5.68 -1.26 -0.86 116.55 122.79 3g3b n ASP 66 Ca -0.19 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 3g3b n ASP 66 Cb 0.51 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3g3b n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3b n GLY 67 N 0.48 0.19 0.79 6.12 0.00 -1.26 -4.79 105.19 106.73 3g3b n GLY 67 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3g3b n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g3b n ARG 68 N -0.70 0.35 -3.77 1.61 1.85 -1.26 -4.99 116.66 109.75 3g3b n ARG 68 Ca 0.00 -1.80 -0.30 0.00 -1.00 0.00 0.00 57.85 54.75 3g3b n ARG 68 Cb 0.25 -0.59 -0.13 0.00 -1.05 0.00 0.00 32.46 30.94 3g3b n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g3b s THR 69 N -0.75 1.64 -0.39 8.89 2.01 -1.26 -4.86 115.64 120.92 3g3b s THR 69 Ca 0.20 -2.66 -0.37 0.00 0.31 0.00 0.00 61.69 59.17 3g3b s THR 69 Cb 0.21 -2.15 -0.16 0.00 0.01 0.00 0.00 72.50 70.41 3g3b s THR 69 CO -0.06 -0.86 1.31 -2.65 -0.69 0.00 0.00 174.62 171.67 3g3b n PRO 70 N 3.52 0.00 -1.12 4.92 -0.02 -1.26 -2.05 135.00 138.99 3g3b n PRO 70 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.51 3g3b n PRO 70 Cb 0.34 -1.18 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 3g3b n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3b n GLY 71 N 3.51 0.69 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.67 3g3b n GLY 71 Ca 0.27 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3g3b n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3b s SER 72 N -2.69 6.22 0.30 1.61 1.04 -0.87 -5.00 113.70 114.31 3g3b s SER 72 Ca 0.00 2.83 -0.07 0.00 0.48 0.00 0.00 55.95 59.18 3g3b s SER 72 Cb 0.00 -2.65 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 3g3b s SER 72 CO 0.00 -0.93 0.60 -0.13 0.98 0.00 0.00 173.24 173.76 3g3b s ARG 73 N -2.23 3.70 -0.50 4.02 1.81 -0.45 -5.00 118.95 120.30 3g3b s ARG 73 Ca 0.57 0.16 0.08 0.00 -1.72 0.00 0.00 55.73 54.82 3g3b s ARG 73 Cb -0.42 -2.59 0.33 0.00 -0.45 0.00 0.00 34.95 31.82 3g3b s ARG 73 CO 0.55 0.19 0.83 -1.71 -0.68 0.00 0.00 175.30 174.47 3g3b n ASN 74 N -0.83 2.86 -0.08 0.23 5.15 -1.24 -3.84 115.26 117.51 3g3b n ASN 74 Ca -0.00 -3.37 0.25 0.00 -0.60 0.00 0.00 54.58 50.86 3g3b n ASN 74 Cb 0.54 -0.60 0.72 0.00 -0.53 0.00 0.00 39.78 39.91 3g3b n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3g3b h LEU 75 N 3.15 0.00 -1.38 1.20 3.38 -1.31 0.57 115.31 120.92 3g3b h LEU 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3g3b h LEU 75 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3g3b h LEU 75 CO 0.69 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3g3b n ASN 77 N 0.67 -3.99 -3.94 0.00 3.02 0.20 -4.99 115.26 106.22 3g3b n ASN 77 Ca 0.17 -1.32 -0.10 0.00 -0.03 0.00 0.00 54.58 53.30 3g3b n ASN 77 Cb 0.46 -1.59 -0.11 0.00 -0.61 0.00 0.00 39.78 37.93 3g3b n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3g3b s ILE 78 N -3.55 0.09 0.47 2.41 -5.25 -1.26 -5.09 121.20 109.02 3g3b s ILE 78 Ca 0.49 -0.75 -0.24 0.00 -0.99 0.00 0.00 60.65 59.17 3g3b s ILE 78 Cb -0.27 -0.28 -0.07 0.00 2.95 0.00 0.00 42.46 44.79 3g3b s ILE 78 CO 0.98 -0.41 1.28 -2.84 -1.79 0.00 0.00 174.94 172.16 3g3b s PRO 79 N -1.26 3.64 0.43 0.37 0.02 -1.26 -1.98 135.00 134.97 3g3b s PRO 79 Ca -0.14 2.06 0.20 0.00 0.02 0.00 0.00 61.00 63.14 3g3b s PRO 79 Cb -0.08 -2.49 0.99 0.00 0.02 0.00 0.00 34.50 32.95 3g3b s PRO 79 CO -0.00 -0.73 1.90 0.00 -0.33 0.00 0.00 177.00 177.83 3g3b h SER 81 N 0.00 0.00 1.09 0.00 4.64 -1.91 0.13 113.55 117.49 3g3b h SER 81 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3g3b h SER 81 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3g3b h SER 81 CO 0.03 0.04 -0.30 0.00 -0.87 0.00 0.00 176.83 175.73 3g3b h ALA 82 N 1.96 0.93 -0.00 5.18 0.00 -1.82 -2.55 119.26 122.96 3g3b h ALA 82 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3g3b h ALA 82 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3b h ALA 82 CO 0.01 0.38 -0.01 1.28 0.00 0.00 0.00 179.25 180.90 3g3b n LEU 83 N -3.36 0.07 -0.78 0.00 4.32 0.03 -3.12 117.00 114.15 3g3b n LEU 83 Ca 0.01 0.16 0.12 0.00 -0.02 0.00 0.00 56.01 56.28 3g3b n LEU 83 Cb 0.52 -0.19 0.17 0.00 -1.62 0.00 0.00 43.42 42.30 3g3b n LEU 83 CO 0.36 0.01 0.63 0.18 -1.22 0.00 0.00 177.39 177.35 3g3b n LEU 84 N -1.14 2.53 -4.78 2.23 4.77 -0.96 -3.74 117.00 115.91 3g3b n LEU 84 Ca 0.17 -0.85 -0.32 0.00 -0.03 0.00 0.00 56.01 54.98 3g3b n LEU 84 Cb 0.21 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3g3b n LEU 84 CO 0.22 0.43 0.73 -0.55 -1.33 0.00 0.00 177.39 176.88 3g3b s SER 85 N -2.09 5.04 0.50 -1.43 0.15 -1.18 -4.13 113.70 110.56 3g3b s SER 85 Ca 0.28 1.92 0.29 0.00 0.70 0.00 0.00 55.95 59.14 3g3b s SER 85 Cb 0.20 -2.54 0.97 0.00 -1.71 0.00 0.00 66.02 62.94 3g3b s SER 85 CO 0.35 -1.68 1.84 0.77 1.20 0.00 0.00 173.24 175.72 3g3b h SER 86 N -0.26 0.00 -3.75 5.45 4.64 -1.94 -3.41 113.55 114.27 3g3b h SER 86 Ca -0.46 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.23 3g3b h SER 86 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 3g3b h SER 86 CO 0.54 0.00 -0.36 -0.62 -0.87 0.00 0.00 176.83 175.52 3g3b s ASP 87 N -5.83 6.17 0.00 4.97 2.15 -1.26 -4.97 116.67 117.89 3g3b s ASP 87 Ca 0.04 0.18 0.31 0.00 0.43 0.00 0.00 52.55 53.50 3g3b s ASP 87 Cb 0.08 -2.17 1.79 0.00 -0.30 0.00 0.00 42.92 42.31 3g3b s ASP 87 CO 0.59 -0.10 2.16 2.30 -0.17 0.00 0.00 175.17 179.94 3g3b n ILE 88 N 4.95 0.00 -0.09 4.11 -5.35 -1.26 -4.37 119.36 117.35 3g3b n ILE 88 Ca -0.11 -0.02 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 3g3b n ILE 88 Cb 0.51 -0.41 -0.00 0.00 -1.74 0.00 0.00 39.64 38.00 3g3b n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3g3b h THR 89 N 0.18 0.44 -0.49 7.28 2.02 -1.94 0.52 112.91 120.93 3g3b h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3g3b h THR 89 Cb 0.04 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3g3b h THR 89 CO 0.00 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.05 3g3b h ALA 90 N 1.04 0.64 -0.64 6.16 0.00 -1.84 0.08 119.26 124.71 3g3b h ALA 90 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g3b h ALA 90 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3g3b h ALA 90 CO -0.42 0.29 0.32 0.77 0.00 0.00 0.00 179.25 180.21 3g3b h SER 91 N 0.66 0.80 0.13 0.00 0.02 -1.62 -1.63 113.55 111.91 3g3b h SER 91 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3g3b h SER 91 Cb 0.27 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3g3b h SER 91 CO -0.01 0.66 -0.06 0.58 -1.14 0.00 0.00 176.83 176.87 3g3b h VAL 92 N 0.89 1.04 -0.90 2.27 2.07 -0.52 -1.06 116.25 120.03 3g3b h VAL 92 Ca 0.22 -0.75 0.16 0.00 0.82 0.00 0.00 66.70 67.15 3g3b h VAL 92 Cb 0.06 1.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 3g3b h VAL 92 CO -0.03 0.18 0.49 0.78 0.02 0.00 0.00 177.57 179.01 3g3b h ASN 93 N -0.53 0.61 0.54 0.57 2.35 -0.93 0.97 115.58 119.15 3g3b h ASN 93 Ca -0.02 0.09 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 3g3b h ASN 93 Cb 0.42 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3g3b h ASN 93 CO 0.03 0.25 -0.98 0.00 -1.65 0.00 0.00 177.43 175.07 3g3b h ALA 95 N 0.81 1.09 -0.75 0.00 0.00 -0.41 -1.04 119.26 118.96 3g3b h ALA 95 Ca -0.07 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3g3b h ALA 95 Cb 1.64 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3g3b h ALA 95 CO 0.16 0.52 0.50 0.87 0.00 0.00 0.00 179.25 181.29 3g3b h LYS 96 N 1.17 0.68 0.04 0.00 1.57 -0.74 0.12 116.57 119.42 3g3b h LYS 96 Ca 0.31 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.79 3g3b h LYS 96 Cb -0.10 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.07 3g3b h LYS 96 CO -0.06 0.45 -1.08 -0.22 -0.57 0.00 0.00 179.45 177.97 3g3b h LYS 97 N 0.70 0.55 -0.74 3.15 1.63 -1.06 -3.25 116.57 117.55 3g3b h LYS 97 Ca 0.34 -0.64 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 3g3b h LYS 97 Cb 0.40 0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 3g3b h LYS 97 CO -0.12 1.26 0.41 0.82 -3.45 0.00 0.00 179.45 178.36 3g3b h ILE 98 N 0.28 1.22 -2.62 2.00 2.04 -0.92 -3.39 117.51 116.13 3g3b h ILE 98 Ca -0.13 -0.56 -0.62 0.00 1.00 0.00 0.00 64.86 64.55 3g3b h ILE 98 Cb 1.73 0.25 -0.14 0.00 -0.74 0.00 0.00 36.82 37.92 3g3b h ILE 98 CO 0.20 0.25 0.60 -0.69 0.00 0.00 0.00 178.15 178.51 3g3b s VAL 99 N -5.85 4.27 -0.03 1.67 1.01 0.41 -4.87 120.40 117.02 3g3b s VAL 99 Ca -0.13 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3g3b s VAL 99 Cb 0.15 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 3g3b s VAL 99 CO 0.80 -1.50 0.03 -1.54 0.00 0.00 0.00 175.10 172.89 3g3b n SER 100 N 7.86 4.14 0.00 3.32 3.41 -1.26 -4.81 113.62 126.27 3g3b n SER 100 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3g3b n SER 100 Cb 0.46 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3g3b n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3b n GLY 104 N 2.64 2.52 0.17 5.00 0.00 -1.26 -5.10 105.19 109.15 3g3b n GLY 104 Ca -0.04 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.76 3g3b n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3b n MET 105 N 0.00 1.22 0.11 1.61 0.00 -1.26 -4.11 117.12 114.69 3g3b n MET 105 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 57.70 57.49 3g3b n MET 105 Cb 0.00 -1.30 0.46 0.00 0.00 0.00 0.00 33.22 32.38 3g3b n MET 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3g3b n ASN 106 N -0.44 0.64 -0.27 7.83 4.13 -1.26 -2.05 115.26 123.84 3g3b n ASN 106 Ca 0.14 0.63 0.07 0.00 1.68 0.00 0.00 54.58 57.10 3g3b n ASN 106 Cb 0.14 -0.78 0.20 0.00 -1.54 0.00 0.00 39.78 37.80 3g3b n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3b h ALA 107 N 2.35 0.94 -1.67 5.41 0.00 -1.95 -3.36 119.26 120.97 3g3b h ALA 107 Ca 0.00 0.23 -0.61 0.00 0.00 0.00 0.00 54.91 54.53 3g3b h ALA 107 Cb 0.44 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 3g3b h ALA 107 CO 0.00 -0.43 0.61 -1.58 0.00 0.00 0.00 179.25 177.85 3g3b s TRP 108 N -6.06 2.67 0.14 0.00 0.51 -0.87 -4.91 118.94 110.42 3g3b s TRP 108 Ca -0.13 -0.32 -0.18 0.00 -2.12 0.00 0.00 56.10 53.35 3g3b s TRP 108 Cb 0.23 -4.26 -0.02 0.00 -0.81 0.00 0.00 33.47 28.62 3g3b s TRP 108 CO 0.76 -1.60 1.79 0.28 -0.51 0.00 0.00 176.95 177.66 3g3b h VAL 109 N 5.99 1.05 -0.23 4.03 2.07 -1.86 0.03 116.25 127.33 3g3b h VAL 109 Ca -0.28 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3g3b h VAL 109 Cb 1.07 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3g3b h VAL 109 CO 1.16 0.07 -0.04 0.00 0.02 0.00 0.00 177.57 178.78 3g3b h ALA 110 N 1.12 0.17 -0.57 1.67 0.00 -1.95 0.30 119.26 120.00 3g3b h ALA 110 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.20 3g3b h ALA 110 Cb -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3g3b h ALA 110 CO -0.04 -0.46 0.16 2.35 0.00 0.00 0.00 179.25 181.26 3g3b h TRP 111 N 0.03 0.26 -0.93 0.00 7.01 -1.82 0.38 115.95 120.87 3g3b h TRP 111 Ca 0.11 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3g3b h TRP 111 Cb 0.16 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 3g3b h TRP 111 CO -0.22 0.02 0.55 -0.09 -2.79 0.00 0.00 178.44 175.91 3g3b h ARG 112 N 0.30 1.26 0.00 2.65 2.43 0.98 -0.04 114.38 121.97 3g3b h ARG 112 Ca 0.29 -0.12 -0.22 0.00 -0.81 0.00 0.00 59.98 59.13 3g3b h ARG 112 Cb 0.40 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3g3b h ARG 112 CO -0.34 0.89 -1.46 -0.91 -1.51 0.00 0.00 179.97 176.63 3g3b h ASN 113 N 1.28 0.00 0.00 -3.80 -0.26 0.25 -3.37 115.58 109.68 3g3b h ASN 113 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 3g3b h ASN 113 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3g3b h ASN 113 CO -0.06 0.76 -0.48 0.54 -1.06 0.00 0.00 177.43 177.14 3g3b n ARG 114 N -2.99 3.73 -0.01 0.81 1.74 0.13 -4.83 116.66 115.22 3g3b n ARG 114 Ca -0.11 -0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.94 3g3b n ARG 114 Cb 0.92 -0.74 -0.01 0.00 -1.02 0.00 0.00 32.46 31.61 3g3b n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3b s LYS 116 N -2.06 4.19 0.00 0.00 2.20 -0.25 -2.16 119.74 121.66 3g3b s LYS 116 Ca -0.04 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3g3b s LYS 116 Cb 0.01 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3g3b s LYS 116 CO 0.06 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 3g3b n GLY 117 N 3.87 0.80 4.01 5.54 0.00 -1.26 -4.86 105.19 113.29 3g3b n GLY 117 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3g3b n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3b s THR 118 N -3.17 2.40 -1.27 2.61 -4.23 -0.92 -5.02 115.64 106.05 3g3b s THR 118 Ca 0.00 -0.89 -0.19 0.00 -1.18 0.00 0.00 61.69 59.43 3g3b s THR 118 Cb 0.00 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.35 3g3b s THR 118 CO 0.00 0.00 1.84 -0.67 -0.54 0.00 0.00 174.62 175.25 3g3b n ASP 119 N -2.28 4.27 0.14 3.99 4.64 -1.26 -4.78 116.55 121.26 3g3b n ASP 119 Ca 0.13 -2.85 0.12 0.00 -1.38 0.00 0.00 54.79 50.81 3g3b n ASP 119 Cb 0.61 -1.71 0.51 0.00 -1.04 0.00 0.00 41.12 39.48 3g3b n ASP 119 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3g3b n VAL 120 N 6.61 0.84 0.42 5.18 0.24 -1.26 -2.26 118.33 128.09 3g3b n VAL 120 Ca 0.48 0.28 0.13 0.00 -2.04 0.00 0.00 64.34 63.19 3g3b n VAL 120 Cb 0.45 -1.22 0.38 0.00 -1.47 0.00 0.00 33.84 31.97 3g3b n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3g3b h GLN 121 N 0.00 0.00 -0.92 7.34 1.08 -1.90 -2.71 115.11 118.01 3g3b h GLN 121 Ca 0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.42 3g3b h GLN 121 Cb 0.33 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.64 3g3b h GLN 121 CO 0.00 0.00 0.45 0.00 -0.95 0.00 0.00 178.83 178.33 3g3b h ALA 122 N 2.25 1.50 -0.01 3.87 0.00 -1.85 -0.71 119.26 124.32 3g3b h ALA 122 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g3b h ALA 122 Cb 0.74 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3g3b h ALA 122 CO 0.00 -0.29 0.11 -1.49 0.00 0.00 0.00 179.25 177.58 3g3b h TRP 123 N 0.47 0.00 0.00 0.00 4.06 -1.69 -2.01 115.95 116.78 3g3b h TRP 123 Ca 0.57 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.33 3g3b h TRP 123 Cb 1.05 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.17 3g3b h TRP 123 CO -0.10 0.00 -2.08 -0.89 -3.56 0.00 0.00 178.44 171.81 3g3b n ILE 124 N -3.05 0.78 -2.64 1.49 2.08 -0.33 -4.82 119.36 112.88 3g3b n ILE 124 Ca -0.03 -0.69 -0.39 0.00 0.56 0.00 0.00 62.75 62.21 3g3b n ILE 124 Cb 0.18 -0.31 -0.05 0.00 -0.75 0.00 0.00 39.64 38.71 3g3b n ILE 124 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3g3b s ARG 125 N -2.98 4.60 0.00 0.38 0.52 -0.76 -3.58 118.95 117.13 3g3b s ARG 125 Ca -0.08 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 3g3b s ARG 125 Cb 0.10 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3g3b s ARG 125 CO 0.86 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.84 3g3b n GLY 126 N 0.97 0.81 0.58 -3.53 0.00 -1.26 -5.01 105.19 97.75 3g3b n GLY 126 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3g3b n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32