#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 4.59 0.35 3.15 1.01 -1.26 -0.24 120.40 128.00 3g3b s VAL 2 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 3g3b s VAL 2 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 3g3b s VAL 2 CO 0.00 0.16 0.95 -0.36 0.00 0.00 0.00 175.10 175.85 3g3b s PHE 3 N 1.63 3.59 0.69 5.22 0.40 -0.24 -4.98 117.98 124.28 3g3b s PHE 3 Ca 0.05 1.74 -0.11 0.00 -0.60 0.00 0.00 56.93 58.01 3g3b s PHE 3 Cb -0.16 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.46 3g3b s PHE 3 CO 0.06 0.11 1.06 0.20 0.70 0.00 0.00 175.22 177.35 3g3b s GLY 4 N -1.77 1.66 0.12 4.36 0.00 -1.26 -4.79 107.32 105.64 3g3b s GLY 4 Ca 0.53 0.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 3g3b s GLY 4 CO 0.21 0.32 1.62 -0.09 0.00 0.00 0.00 173.10 175.16 3g3b h ARG 5 N -0.66 -0.46 -0.62 2.90 2.43 -1.97 -1.04 114.38 114.95 3g3b h ARG 5 Ca -0.44 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 3g3b h ARG 5 Cb 1.21 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 3g3b h ARG 5 CO 0.58 -0.31 0.27 0.00 -1.51 0.00 0.00 179.97 179.00 3g3b h GLU 7 N 0.89 0.51 -0.64 0.00 4.81 -1.91 -1.30 114.58 116.94 3g3b h GLU 7 Ca 0.21 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3g3b h GLU 7 Cb 0.14 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3g3b h GLU 7 CO -0.02 0.49 0.31 1.25 -0.73 0.00 0.00 179.01 180.30 3g3b h LEU 8 N 0.42 0.85 -0.12 1.64 5.85 -0.74 -2.08 115.31 121.13 3g3b h LEU 8 Ca 0.12 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3g3b h LEU 8 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3g3b h LEU 8 CO -0.01 0.75 0.05 0.00 -0.34 0.00 0.00 178.44 178.89 3g3b h ALA 9 N 1.14 0.14 -0.95 1.25 0.00 -1.15 -0.27 119.26 119.41 3g3b h ALA 9 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3g3b h ALA 9 Cb 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3g3b h ALA 9 CO -0.03 -0.40 0.62 0.00 0.00 0.00 0.00 179.25 179.45 3g3b h ALA 10 N 1.06 1.44 0.00 0.00 0.00 -1.09 0.49 119.26 121.16 3g3b h ALA 10 Ca 0.05 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3g3b h ALA 10 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3g3b h ALA 10 CO -0.04 0.44 -1.08 0.00 0.00 0.00 0.00 179.25 178.57 3g3b h ALA 11 N 1.47 0.45 -0.15 0.00 0.00 -1.28 -2.69 119.26 117.05 3g3b h ALA 11 Ca 0.40 -0.96 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 3g3b h ALA 11 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g3b h ALA 11 CO -0.15 1.25 -0.69 0.52 0.00 0.00 0.00 179.25 180.19 3g3b h MET 12 N 0.00 0.63 -0.37 0.00 2.86 -0.50 -3.07 114.93 114.47 3g3b h MET 12 Ca -0.06 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.09 3g3b h MET 12 Cb 1.78 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.50 3g3b h MET 12 CO 0.12 1.09 0.16 -0.22 1.06 0.00 0.00 176.91 179.12 3g3b h LYS 13 N 0.45 0.55 0.00 1.72 3.64 -0.96 -2.57 116.57 119.40 3g3b h LYS 13 Ca -0.02 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3g3b h LYS 13 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3g3b h LYS 13 CO 0.13 0.52 0.00 0.07 -2.27 0.00 0.00 179.45 177.90 3g3b h ARG 14 N 0.46 0.00 -0.75 1.90 0.11 -1.47 -1.12 114.38 113.51 3g3b h ARG 14 Ca 0.13 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.91 3g3b h ARG 14 Cb 0.16 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 31.07 3g3b h ARG 14 CO -0.01 0.00 0.34 0.72 0.10 0.00 0.00 179.97 181.12 3g3b n HIS 15 N -2.55 2.41 -2.19 4.08 8.25 -1.01 -4.96 115.22 119.24 3g3b n HIS 15 Ca -0.00 -1.44 -0.21 0.00 -0.26 0.00 0.00 57.72 55.81 3g3b n HIS 15 Cb 0.15 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 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 -0.60 0.15 0.12 -1.41 0.00 -0.42 -4.90 105.19 98.12 3g3b n GLY 16 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 -9.08 0.99 3.38 -1.65 -3.38 115.31 105.57 3g3b h LEU 17 Ca -0.48 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.90 3g3b h LEU 17 Cb 1.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.13 3g3b h LEU 17 CO 0.60 0.71 1.35 -0.67 0.09 0.00 0.00 178.44 180.52 3g3b n ASP 18 N -3.65 3.40 -1.80 -0.43 -0.08 -1.26 -1.79 116.55 110.94 3g3b n ASP 18 Ca -0.01 0.54 -0.20 0.00 -1.51 0.00 0.00 54.79 53.62 3g3b n ASP 18 Cb 0.70 -1.48 -0.06 0.00 2.34 0.00 0.00 41.12 42.62 3g3b n ASP 18 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3g3b n ASN 19 N 9.54 -5.28 -4.67 1.67 5.15 0.40 -4.89 115.26 117.18 3g3b n ASN 19 Ca 0.27 0.35 -0.42 0.00 -0.60 0.00 0.00 54.58 54.18 3g3b n ASN 19 Cb 0.39 -4.61 -0.03 0.00 -0.53 0.00 0.00 39.78 35.00 3g3b n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3g3b s TYR 20 N -2.75 2.09 -2.11 1.20 5.04 -0.74 -2.73 117.35 117.36 3g3b s TYR 20 Ca 0.00 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 3g3b s TYR 20 Cb 0.00 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.38 3g3b s TYR 20 CO 0.00 -3.88 0.00 0.54 -1.34 0.00 0.00 175.55 170.87 3g3b n ARG 21 N 6.68 -1.45 -1.22 4.97 1.74 -1.26 -2.64 116.66 123.47 3g3b n ARG 21 Ca 0.17 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.42 3g3b n ARG 21 Cb 0.42 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 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 -0.39 0.86 3.11 -0.13 0.00 -1.10 -5.06 105.19 102.47 3g3b n GLY 22 Ca -0.20 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 3.10 0.49 1.61 2.02 -1.08 -4.92 117.35 116.57 3g3b s TYR 23 Ca 0.00 -2.00 -0.23 0.00 -0.37 0.00 0.00 57.07 54.48 3g3b s TYR 23 Cb 0.00 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.52 3g3b s TYR 23 CO 0.00 -0.83 1.10 -1.13 -1.57 0.00 0.00 175.55 173.11 3g3b n SER 24 N 4.53 1.58 -0.30 2.29 3.41 -1.26 0.15 113.62 124.02 3g3b n SER 24 Ca -0.16 0.98 0.06 0.00 -0.26 0.00 0.00 58.87 59.49 3g3b n SER 24 Cb 0.45 -1.42 0.16 0.00 -0.26 0.00 0.00 64.21 63.14 3g3b n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g3b h LEU 25 N 1.36 -0.60 -1.47 1.04 5.85 -1.90 0.06 115.31 119.64 3g3b h LEU 25 Ca -0.47 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3g3b h LEU 25 Cb 1.33 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 3g3b h LEU 25 CO 0.56 -0.27 0.54 1.23 -0.34 0.00 0.00 178.44 180.16 3g3b h GLY 26 N 0.03 0.00 1.62 3.75 0.00 -1.90 0.13 103.07 106.70 3g3b h GLY 26 Ca 0.45 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.59 3g3b h GLY 26 CO -0.83 0.00 -0.77 3.43 0.00 0.00 0.00 176.54 178.37 3g3b h ASN 27 N 0.00 0.45 0.01 0.19 2.35 -1.19 -2.29 115.58 115.09 3g3b h ASN 27 Ca 0.03 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3g3b h ASN 27 Cb 1.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3g3b h ASN 27 CO -0.00 1.06 -0.16 -0.50 -1.65 0.00 0.00 177.43 176.18 3g3b h TRP 28 N 0.24 0.14 -0.33 1.19 4.06 -0.90 -1.86 115.95 118.49 3g3b h TRP 28 Ca -0.04 -0.08 0.07 0.00 2.06 0.00 0.00 58.89 60.90 3g3b h TRP 28 Cb 1.36 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 29.44 3g3b h TRP 28 CO 0.04 0.94 -0.13 0.28 -3.56 0.00 0.00 178.44 176.01 3g3b h VAL 29 N -0.70 0.57 -0.74 1.49 2.07 -1.60 -0.71 116.25 116.63 3g3b h VAL 29 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3g3b h VAL 29 Cb 0.99 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3g3b h VAL 29 CO 0.03 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.03 3g3b h ALA 31 N 1.41 0.93 -0.23 0.00 0.00 -0.28 -2.89 119.26 118.19 3g3b h ALA 31 Ca 0.35 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 3g3b h ALA 31 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g3b h ALA 31 CO -0.22 0.17 -0.62 0.00 0.00 0.00 0.00 179.25 178.58 3g3b h ALA 32 N 1.32 0.47 -0.73 0.00 0.00 -0.81 -1.76 119.26 117.76 3g3b h ALA 32 Ca 0.29 -0.54 0.14 0.00 0.00 0.00 0.00 54.91 54.80 3g3b h ALA 32 Cb 0.08 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 3g3b h ALA 32 CO -0.13 0.69 -0.24 -0.22 0.00 0.00 0.00 179.25 179.35 3g3b h LYS 33 N 0.58 -0.04 0.00 0.00 1.63 -1.06 -1.25 116.57 116.42 3g3b h LYS 33 Ca -0.01 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 3g3b h LYS 33 Cb 1.22 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 3g3b h LYS 33 CO 0.13 -0.03 -0.66 0.74 -3.45 0.00 0.00 179.45 176.18 3g3b h PHE 34 N -0.04 0.00 0.00 1.91 0.04 -1.38 -0.60 116.94 116.86 3g3b h PHE 34 Ca 0.33 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 3g3b h PHE 34 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 3g3b h PHE 34 CO -0.63 0.42 -0.01 0.93 -0.60 0.00 0.00 178.31 178.42 3g3b h GLU 35 N 0.00 0.01 0.00 1.51 4.39 -1.05 -3.41 114.58 116.03 3g3b h GLU 35 Ca -0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3g3b h GLU 35 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3g3b h GLU 35 CO 0.05 0.89 0.00 -1.13 -1.16 0.00 0.00 179.01 177.65 3g3b n SER 36 N -4.66 0.82 -3.99 1.42 3.41 -0.51 -4.84 113.62 105.27 3g3b n SER 36 Ca -0.10 -1.32 -0.26 0.00 -0.26 0.00 0.00 58.87 56.93 3g3b n SER 36 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.16 -0.39 -0.49 4.04 5.15 -0.23 -1.50 115.26 121.68 3g3b n ASN 37 Ca 0.00 -1.02 -0.06 0.00 -0.60 0.00 0.00 54.58 52.90 3g3b n ASN 37 Cb 0.29 -2.95 -0.02 0.00 -0.53 0.00 0.00 39.78 36.57 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 -4.41 -0.06 -3.03 1.20 3.72 -1.15 -4.84 117.46 108.89 3g3b n PHE 38 Ca -0.29 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.68 3g3b n PHE 38 Cb 0.68 -2.16 -0.06 0.00 -0.94 0.00 0.00 39.48 37.00 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 -1.90 6.42 0.16 4.37 2.47 -0.56 -1.08 114.94 124.82 3g3b s ASN 39 Ca 0.00 -0.01 0.14 0.00 0.42 0.00 0.00 52.86 53.41 3g3b s ASN 39 Cb 0.00 -2.36 0.69 0.00 -1.45 0.00 0.00 41.25 38.13 3g3b s ASN 39 CO 0.00 -0.77 1.45 0.35 -3.72 0.00 0.00 177.10 174.40 3g3b n THR 40 N 5.88 1.26 0.74 -5.21 -2.24 0.66 -2.85 114.28 112.53 3g3b n THR 40 Ca 0.01 0.47 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 3g3b n THR 40 Cb 0.48 -1.41 0.05 0.00 -2.10 0.00 0.00 70.33 67.36 3g3b n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g3b n GLN 41 N -1.90 1.52 -1.61 -0.78 6.02 -1.26 -3.85 117.38 115.52 3g3b n GLN 41 Ca 0.01 -1.37 -0.41 0.00 -0.01 0.00 0.00 57.00 55.22 3g3b n GLN 41 Cb 0.09 -1.33 0.01 0.00 1.02 0.00 0.00 30.24 30.04 3g3b n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3b n ALA 42 N 0.71 0.18 -3.30 -1.58 0.00 -1.13 -4.81 120.51 110.58 3g3b n ALA 42 Ca 0.09 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 3g3b n ALA 42 Cb 0.42 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.70 3g3b n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g3b s THR 43 N -1.30 0.02 -0.18 0.00 2.01 -1.26 -2.08 115.64 112.86 3g3b s THR 43 Ca 0.64 -0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 3g3b s THR 43 Cb -0.55 -0.64 0.09 0.00 0.01 0.00 0.00 72.50 71.41 3g3b s THR 43 CO 0.56 -0.11 0.23 0.21 -0.69 0.00 0.00 174.62 174.82 3g3b s ASN 44 N -0.60 1.11 0.02 3.53 2.47 -0.84 -4.94 114.94 115.69 3g3b s ASN 44 Ca -0.07 -0.03 -0.30 0.00 0.42 0.00 0.00 52.86 52.88 3g3b s ASN 44 Cb -0.04 0.45 -0.06 0.00 -1.45 0.00 0.00 41.25 40.15 3g3b s ASN 44 CO 0.03 -0.30 1.44 -0.13 -3.72 0.00 0.00 177.10 174.41 3g3b s ARG 45 N 2.35 4.27 0.43 0.43 1.81 -1.26 -0.80 118.95 126.17 3g3b s ARG 45 Ca 0.06 2.03 -0.02 0.00 -1.72 0.00 0.00 55.73 56.08 3g3b s ARG 45 Cb -0.15 -3.54 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 3g3b s ARG 45 CO -0.11 -0.58 0.68 -0.80 -0.68 0.00 0.00 175.30 173.80 3g3b s ASN 46 N 1.87 6.16 0.48 0.23 0.01 0.40 -4.97 114.94 119.12 3g3b s ASN 46 Ca 0.65 0.61 0.29 0.00 -0.71 0.00 0.00 52.86 53.70 3g3b s ASN 46 Cb -0.33 -2.00 0.99 0.00 0.41 0.00 0.00 41.25 40.31 3g3b s ASN 46 CO 0.28 -0.52 1.84 0.71 -1.51 0.00 0.00 177.10 177.90 3g3b h THR 47 N 0.44 0.00 -0.01 1.60 1.35 -1.96 -3.02 112.91 111.32 3g3b h THR 47 Ca -0.48 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3g3b h THR 47 Cb 1.22 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3g3b h THR 47 CO 0.61 0.00 -0.01 -0.90 -0.25 0.00 0.00 175.52 174.97 3g3b n ASP 48 N -3.01 0.52 0.00 5.36 5.75 -1.26 -4.88 116.55 119.03 3g3b n ASP 48 Ca 0.02 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 3g3b n ASP 48 Cb 0.38 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.08 1.76 3.89 6.12 0.00 -1.14 -5.02 105.19 111.88 3g3b n GLY 49 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.59 3.38 0.03 1.61 1.04 -1.26 -4.65 113.70 112.26 3g3b s SER 50 Ca 0.00 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 3g3b s SER 50 Cb 0.00 -0.73 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 3g3b s SER 50 CO 0.00 -2.59 0.09 -0.89 0.98 0.00 0.00 173.24 170.83 3g3b s THR 51 N -3.69 0.12 -0.09 2.02 2.01 -1.26 -0.45 115.64 114.30 3g3b s THR 51 Ca 0.70 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3g3b s THR 51 Cb -0.07 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3g3b s THR 51 CO 0.52 -0.53 0.17 -1.81 -0.69 0.00 0.00 174.62 172.27 3g3b s ASP 52 N -1.83 6.42 0.02 3.53 1.01 0.02 -1.23 116.67 124.60 3g3b s ASP 52 Ca -0.09 0.48 0.05 0.00 0.71 0.00 0.00 52.55 53.70 3g3b s ASP 52 Cb -0.04 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 3g3b s ASP 52 CO -0.02 0.38 -0.14 -0.31 0.21 0.00 0.00 175.17 175.29 3g3b s TYR 53 N -1.08 1.23 0.00 4.23 2.02 -0.57 -1.98 117.35 121.19 3g3b s TYR 53 Ca 0.18 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3g3b s TYR 53 Cb -0.12 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.68 3g3b s TYR 53 CO 0.07 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 3g3b n GLY 54 N 2.28 -1.82 0.26 0.71 0.00 -0.88 -1.42 105.19 104.32 3g3b n GLY 54 Ca -0.16 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 0.54 -0.40 -0.61 3.07 -1.75 -2.04 117.51 116.33 3g3b h ILE 55 Ca 0.00 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.86 3g3b h ILE 55 Cb 0.00 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 3g3b h ILE 55 CO 0.00 0.12 0.00 0.18 -1.05 0.00 0.00 178.15 177.40 3g3b n LEU 56 N -3.61 3.15 -3.96 0.16 4.77 -1.26 -3.69 117.00 112.57 3g3b n LEU 56 Ca -0.02 -2.07 -0.37 0.00 -0.03 0.00 0.00 56.01 53.52 3g3b n LEU 56 Cb 0.25 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3g3b n LEU 56 CO 0.30 0.76 -0.18 0.00 -1.33 0.00 0.00 177.39 176.94 3g3b n GLN 57 N 0.60 -1.14 -2.83 3.23 1.13 -0.77 -4.91 117.38 112.69 3g3b n GLN 57 Ca 0.14 0.25 -0.41 0.00 -1.94 0.00 0.00 57.00 55.04 3g3b n GLN 57 Cb 0.49 -3.49 -0.04 0.00 0.11 0.00 0.00 30.24 27.31 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 -3.68 4.89 0.59 5.09 -1.09 -0.51 -4.44 121.20 122.05 3g3b s ILE 58 Ca 0.35 1.79 -0.03 0.00 -2.23 0.00 0.00 60.65 60.53 3g3b s ILE 58 Cb -0.16 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3g3b s ILE 58 CO 0.93 0.09 0.85 0.54 -1.23 0.00 0.00 174.94 176.12 3g3b s ASN 59 N 1.04 5.31 0.00 3.58 4.22 -1.26 -1.51 114.94 126.31 3g3b s ASN 59 Ca 0.44 0.34 0.25 0.00 -2.14 0.00 0.00 52.86 51.74 3g3b s ASN 59 Cb -0.18 -1.24 0.45 0.00 1.28 0.00 0.00 41.25 41.56 3g3b s ASN 59 CO 0.18 -1.18 1.37 -1.54 -2.04 0.00 0.00 177.10 173.89 3g3b n SER 60 N -2.52 0.72 0.05 3.54 3.41 -0.36 -2.77 113.62 115.69 3g3b n SER 60 Ca 0.06 -0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 58.02 3g3b n SER 60 Cb 0.59 0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.34 -0.12 0.00 4.33 9.65 -1.83 -3.40 114.38 123.34 3g3b h ARG 61 Ca 0.00 0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.56 3g3b h ARG 61 Cb 0.51 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.06 3g3b h ARG 61 CO 0.00 0.23 -2.25 0.91 2.80 0.00 0.00 179.97 181.66 3g3b n TRP 62 N -4.98 0.00 -0.06 2.20 7.02 -1.26 -1.70 117.44 118.66 3g3b n TRP 62 Ca -0.08 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.31 3g3b n TRP 62 Cb 0.21 -0.86 -0.06 0.00 -2.42 0.00 0.00 31.31 28.19 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 -3.02 0.00 -4.31 -5.99 7.02 -1.10 -1.53 117.44 108.52 3g3b n TRP 63 Ca -0.36 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 55.95 3g3b n TRP 63 Cb 0.96 -0.48 -0.10 0.00 -2.42 0.00 0.00 31.31 29.27 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 -3.28 4.65 0.00 0.00 2.47 -0.56 -4.42 114.94 113.80 3g3b s ASN 65 Ca 0.30 -0.29 0.12 0.00 0.42 0.00 0.00 52.86 53.41 3g3b s ASN 65 Cb 0.06 -1.80 0.22 0.00 -1.45 0.00 0.00 41.25 38.28 3g3b s ASN 65 CO 0.09 0.01 1.09 -0.90 -3.72 0.00 0.00 177.10 173.67 3g3b n ASP 66 N 4.62 2.55 0.00 -4.21 5.68 -1.26 0.45 116.55 124.37 3g3b n ASP 66 Ca -0.17 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3g3b n ASP 66 Cb 0.51 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 0.66 0.43 0.39 6.12 0.00 -1.26 -4.79 105.19 106.73 3g3b n GLY 67 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.64 0.26 -3.91 1.61 1.85 -1.26 -4.96 116.66 108.60 3g3b n ARG 68 Ca 0.00 -1.25 -0.29 0.00 -1.00 0.00 0.00 57.85 55.31 3g3b n ARG 68 Cb 0.11 -0.68 -0.13 0.00 -1.05 0.00 0.00 32.46 30.71 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 -0.51 2.53 -0.40 8.89 2.01 -1.26 -4.83 115.64 122.07 3g3b s THR 69 Ca 0.05 -3.49 -0.44 0.00 0.31 0.00 0.00 61.69 58.13 3g3b s THR 69 Cb 0.05 -2.73 -0.18 0.00 0.01 0.00 0.00 72.50 69.65 3g3b s THR 69 CO 0.01 -0.87 1.70 -2.65 -0.69 0.00 0.00 174.62 172.11 3g3b n PRO 70 N 2.85 0.56 -0.35 4.92 -0.02 -1.26 -2.10 135.00 139.61 3g3b n PRO 70 Ca 0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3g3b n PRO 70 Cb 0.33 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 4.24 0.83 3.69 -1.23 0.00 -1.26 -5.03 105.19 106.43 3g3b n GLY 71 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.01 6.49 -0.70 1.61 1.04 -0.89 -4.94 113.70 114.29 3g3b s SER 72 Ca 0.00 2.65 -0.25 0.00 0.48 0.00 0.00 55.95 58.83 3g3b s SER 72 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.61 3g3b s SER 72 CO 0.00 -0.98 1.16 -0.13 0.98 0.00 0.00 173.24 174.27 3g3b s ARG 73 N 2.99 3.17 -1.39 4.02 1.81 -0.69 -4.93 118.95 123.95 3g3b s ARG 73 Ca 0.80 -0.44 -0.13 0.00 -1.72 0.00 0.00 55.73 54.24 3g3b s ARG 73 Cb -0.43 -4.19 -0.03 0.00 -0.45 0.00 0.00 34.95 29.85 3g3b s ARG 73 CO 0.36 -2.00 2.42 -1.71 -0.68 0.00 0.00 175.30 173.68 3g3b n ASN 74 N 8.72 5.38 -0.25 0.23 5.15 -1.26 -2.70 115.26 130.53 3g3b n ASN 74 Ca 0.01 -2.69 0.19 0.00 -0.60 0.00 0.00 54.58 51.49 3g3b n ASN 74 Cb 0.48 -1.52 0.50 0.00 -0.53 0.00 0.00 39.78 38.71 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 9.34 0.43 -0.18 1.20 3.38 -1.22 0.25 115.31 128.51 3g3b h LEU 75 Ca 0.65 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.66 3g3b h LEU 75 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3g3b h LEU 75 CO 1.83 0.17 -0.04 0.00 0.09 0.00 0.00 178.44 180.49 3g3b n ASN 77 N -0.93 -3.12 -4.08 0.00 4.05 0.86 -5.00 115.26 107.04 3g3b n ASN 77 Ca 0.18 -0.78 -0.10 0.00 0.45 0.00 0.00 54.58 54.33 3g3b n ASN 77 Cb 0.22 -4.07 -0.11 0.00 1.23 0.00 0.00 39.78 37.06 3g3b n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 3g3b s ILE 78 N -3.48 0.40 0.28 -1.44 -4.36 -1.26 -5.07 121.20 106.27 3g3b s ILE 78 Ca 0.33 -1.50 -0.29 0.00 -0.26 0.00 0.00 60.65 58.93 3g3b s ILE 78 Cb -0.16 -1.10 -0.10 0.00 1.25 0.00 0.00 42.46 42.35 3g3b s ILE 78 CO 0.81 -0.72 1.11 -2.84 0.24 0.00 0.00 174.94 173.54 3g3b s PRO 79 N -2.86 4.63 0.53 0.37 0.02 -1.26 -1.49 135.00 134.93 3g3b s PRO 79 Ca -0.00 1.82 0.22 0.00 0.02 0.00 0.00 61.00 63.06 3g3b s PRO 79 Cb -0.01 -3.18 1.42 0.00 0.02 0.00 0.00 34.50 32.76 3g3b s PRO 79 CO -0.04 0.20 2.14 0.00 -0.33 0.00 0.00 177.00 178.96 3g3b h SER 81 N 0.00 0.00 -0.04 0.00 4.64 -1.93 -1.27 113.55 114.95 3g3b h SER 81 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3g3b h SER 81 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3g3b h SER 81 CO 0.01 0.01 -0.11 0.00 -0.87 0.00 0.00 176.83 175.87 3g3b h ALA 82 N 1.99 1.44 0.00 5.18 0.00 -1.78 -1.18 119.26 124.90 3g3b h ALA 82 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3g3b h ALA 82 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3g3b h ALA 82 CO 0.00 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.92 3g3b n LEU 83 N -4.26 0.00 -0.30 0.00 4.32 -0.48 -2.67 117.00 113.61 3g3b n LEU 83 Ca -0.00 0.45 0.09 0.00 -0.02 0.00 0.00 56.01 56.53 3g3b n LEU 83 Cb 0.27 -0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 3g3b n LEU 83 CO 0.38 -0.17 0.18 0.18 -1.22 0.00 0.00 177.39 176.75 3g3b n LEU 84 N -1.45 1.51 -4.69 2.23 4.77 -0.45 -3.58 117.00 115.35 3g3b n LEU 84 Ca 0.05 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.98 3g3b n LEU 84 Cb 0.19 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3g3b n LEU 84 CO 0.16 0.30 0.79 -0.24 -1.33 0.00 0.00 177.39 177.07 3g3b n SER 85 N -0.48 1.63 0.00 -1.43 2.88 -1.09 -4.40 113.62 110.73 3g3b n SER 85 Ca 0.06 0.80 0.09 0.00 -1.33 0.00 0.00 58.87 58.50 3g3b n SER 85 Cb 0.36 -1.51 0.48 0.00 -0.75 0.00 0.00 64.21 62.79 3g3b n SER 85 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3g3b n SER 86 N -1.70 0.00 -4.70 -3.46 3.41 -1.26 -4.59 113.62 101.33 3g3b n SER 86 Ca 0.15 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.42 3g3b n SER 86 Cb 0.48 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3g3b n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g3b s ASP 87 N -2.57 6.11 0.00 4.04 -1.08 -1.26 -4.95 116.67 116.97 3g3b s ASP 87 Ca 0.18 0.17 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 3g3b s ASP 87 Cb 0.13 -2.08 0.78 0.00 -1.46 0.00 0.00 42.92 40.29 3g3b s ASP 87 CO 0.29 0.14 1.59 2.30 0.52 0.00 0.00 175.17 180.01 3g3b n ILE 88 N 3.78 0.00 -0.18 4.11 -5.35 -1.26 -4.45 119.36 116.00 3g3b n ILE 88 Ca -0.16 -0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.17 3g3b n ILE 88 Cb 0.52 0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.49 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 0.42 0.04 -0.75 7.28 2.02 -1.95 0.23 112.91 120.19 3g3b h THR 89 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 3g3b h THR 89 Cb 0.48 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 3g3b h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 3g3b h ALA 90 N 0.31 1.07 -0.36 6.16 0.00 -1.85 0.62 119.26 125.21 3g3b h ALA 90 Ca 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3g3b h ALA 90 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g3b h ALA 90 CO -0.66 -0.08 0.05 0.77 0.00 0.00 0.00 179.25 179.33 3g3b h SER 91 N 0.59 0.58 -0.89 0.00 0.02 -1.40 -2.07 113.55 110.37 3g3b h SER 91 Ca 0.39 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3g3b h SER 91 Cb 0.47 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 3g3b h SER 91 CO -0.31 0.70 0.56 0.58 -1.14 0.00 0.00 176.83 177.22 3g3b h VAL 92 N 0.43 1.24 -0.58 2.27 2.07 -0.28 -0.98 116.25 120.42 3g3b h VAL 92 Ca 0.11 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3g3b h VAL 92 Cb 0.38 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3g3b h VAL 92 CO 0.01 0.24 -0.01 0.78 0.02 0.00 0.00 177.57 178.62 3g3b h ASN 93 N 1.21 0.99 0.33 0.57 2.35 -0.82 -1.96 115.58 118.25 3g3b h ASN 93 Ca 0.32 -0.28 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 3g3b h ASN 93 Cb -0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 3g3b h ASN 93 CO -0.06 1.05 -0.61 0.00 -1.65 0.00 0.00 177.43 176.16 3g3b h ALA 95 N 1.16 0.04 -0.72 0.00 0.00 -1.01 -1.41 119.26 117.32 3g3b h ALA 95 Ca -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.99 3g3b h ALA 95 Cb 1.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3g3b h ALA 95 CO 0.10 -0.44 0.48 0.87 0.00 0.00 0.00 179.25 180.25 3g3b h LYS 96 N 0.01 0.54 -0.04 0.00 1.57 -1.33 0.55 116.57 117.88 3g3b h LYS 96 Ca 0.01 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3g3b h LYS 96 Cb 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3g3b h LYS 96 CO -0.00 0.36 -0.68 -0.22 -0.57 0.00 0.00 179.45 178.34 3g3b h LYS 97 N 0.56 0.20 -0.01 3.15 1.63 -1.17 -3.28 116.57 117.65 3g3b h LYS 97 Ca 0.34 -0.16 -0.13 0.00 -0.85 0.00 0.00 60.65 59.86 3g3b h LYS 97 Cb 0.56 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.23 3g3b h LYS 97 CO -0.12 0.80 -0.49 0.82 -3.45 0.00 0.00 179.45 177.02 3g3b h ILE 98 N 0.14 1.46 -3.30 2.00 2.04 -0.07 -3.52 117.51 116.26 3g3b h ILE 98 Ca -0.02 -2.02 -0.56 0.00 1.00 0.00 0.00 64.86 63.26 3g3b h ILE 98 Cb 1.21 2.62 -0.04 0.00 -0.74 0.00 0.00 36.82 39.87 3g3b h ILE 98 CO 0.10 0.58 -0.09 -0.69 0.00 0.00 0.00 178.15 178.05 3g3b s VAL 99 N -3.22 4.86 0.00 1.67 1.01 0.18 -4.89 120.40 120.02 3g3b s VAL 99 Ca -0.14 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3g3b s VAL 99 Cb 0.03 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3g3b s VAL 99 CO 0.80 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.78 3g3b n GLY 104 N 0.88 -1.70 0.06 4.51 0.00 -1.26 -4.99 105.19 102.69 3g3b n GLY 104 Ca -0.06 0.67 0.04 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.05 0.05 0.20 1.61 0.00 -1.26 -2.29 117.12 115.37 3g3b n MET 105 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 57.70 58.35 3g3b n MET 105 Cb 0.00 -1.66 0.54 0.00 0.00 0.00 0.00 33.22 32.09 3g3b n MET 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3g3b h ASN 106 N 0.00 0.00 -0.91 7.83 -0.26 -1.99 -1.29 115.58 118.96 3g3b h ASN 106 Ca 0.00 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3g3b h ASN 106 Cb 0.01 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 3g3b h ASN 106 CO 0.00 0.00 0.60 0.00 -1.06 0.00 0.00 177.43 176.97 3g3b h ALA 107 N 1.49 1.40 -1.58 -0.83 0.00 -1.86 -3.36 119.26 114.52 3g3b h ALA 107 Ca 0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 54.24 3g3b h ALA 107 Cb 0.40 -0.34 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 3g3b h ALA 107 CO 0.00 0.52 0.85 -1.58 0.00 0.00 0.00 179.25 179.04 3g3b s TRP 108 N -5.98 2.68 0.27 0.00 0.51 -0.49 -4.91 118.94 111.03 3g3b s TRP 108 Ca -0.12 -0.70 -0.01 0.00 -2.12 0.00 0.00 56.10 53.16 3g3b s TRP 108 Cb 0.19 -4.41 0.49 0.00 -0.81 0.00 0.00 33.47 28.92 3g3b s TRP 108 CO 0.80 -1.73 1.84 0.28 -0.51 0.00 0.00 176.95 177.63 3g3b h VAL 109 N 6.08 0.95 -0.10 4.03 2.07 -1.84 -0.65 116.25 126.79 3g3b h VAL 109 Ca -0.11 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 3g3b h VAL 109 Cb 1.05 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3g3b h VAL 109 CO 1.22 0.18 -0.56 0.00 0.02 0.00 0.00 177.57 178.43 3g3b h ALA 110 N 1.50 0.86 -0.41 1.67 0.00 -1.94 -0.45 119.26 120.49 3g3b h ALA 110 Ca 0.46 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3g3b h ALA 110 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3g3b h ALA 110 CO -0.24 0.70 0.15 2.35 0.00 0.00 0.00 179.25 182.20 3g3b h TRP 111 N 0.23 0.64 -0.51 0.00 7.01 -1.66 -1.35 115.95 120.31 3g3b h TRP 111 Ca 0.00 -0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.02 3g3b h TRP 111 Cb 1.06 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.87 3g3b h TRP 111 CO 0.02 0.58 0.18 -0.09 -2.79 0.00 0.00 178.44 176.34 3g3b h ARG 112 N 0.51 0.35 0.05 2.65 2.43 -0.84 -0.87 114.38 118.65 3g3b h ARG 112 Ca 0.13 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 59.03 3g3b h ARG 112 Cb 0.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3g3b h ARG 112 CO -0.01 0.23 -1.27 -0.91 -1.51 0.00 0.00 179.97 176.50 3g3b h ASN 113 N 0.36 0.15 0.00 -3.80 -0.26 -0.99 -3.34 115.58 107.70 3g3b h ASN 113 Ca 0.25 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3g3b h ASN 113 Cb 0.27 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3g3b h ASN 113 CO -0.26 1.15 -1.11 0.54 -1.06 0.00 0.00 177.43 176.69 3g3b n ARG 114 N -3.35 1.35 -0.02 0.81 5.12 -0.52 -4.87 116.66 115.18 3g3b n ARG 114 Ca -0.08 -0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 55.75 3g3b n ARG 114 Cb 0.99 -1.11 -0.02 0.00 -1.16 0.00 0.00 32.46 31.16 3g3b n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g3b s LYS 116 N -2.10 4.29 -0.07 0.00 2.20 -0.57 -2.08 119.74 121.41 3g3b s LYS 116 Ca -0.07 2.04 -0.00 0.00 -0.36 0.00 0.00 55.97 57.58 3g3b s LYS 116 Cb 0.02 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3g3b s LYS 116 CO 0.11 -0.55 0.03 0.41 -0.36 0.00 0.00 175.35 174.99 3g3b n GLY 117 N 3.64 0.67 2.15 5.54 0.00 -1.26 -4.86 105.19 111.06 3g3b n GLY 117 Ca 0.13 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 3g3b n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3b n THR 118 N -3.17 0.00 -2.09 2.61 -2.24 -0.89 -5.06 114.28 103.44 3g3b n THR 118 Ca -0.00 -1.52 -0.42 0.00 -2.27 0.00 0.00 64.05 59.84 3g3b n THR 118 Cb 0.50 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3g3b n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g3b n ASP 119 N -1.68 5.21 0.26 3.42 4.64 -1.26 -4.80 116.55 122.33 3g3b n ASP 119 Ca -0.04 -3.02 0.13 0.00 -1.38 0.00 0.00 54.79 50.48 3g3b n ASP 119 Cb 0.39 -1.52 0.70 0.00 -1.04 0.00 0.00 41.12 39.65 3g3b n ASP 119 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3g3b h VAL 120 N 3.66 0.54 0.00 5.18 -1.51 -1.91 0.15 116.25 122.36 3g3b h VAL 120 Ca 0.49 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3g3b h VAL 120 Cb 0.58 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3g3b h VAL 120 CO 1.69 0.13 0.00 0.00 -1.23 0.00 0.00 177.57 178.16 3g3b n GLN 121 N -3.58 0.01 -0.07 5.19 1.13 -1.26 -1.91 117.38 116.88 3g3b n GLN 121 Ca -0.02 0.29 0.08 0.00 -1.94 0.00 0.00 57.00 55.42 3g3b n GLN 121 Cb 0.26 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.56 3g3b n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g3b h ALA 122 N 2.42 1.86 0.00 -1.58 0.00 -1.09 -2.39 119.26 118.48 3g3b h ALA 122 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g3b h ALA 122 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3b h ALA 122 CO 0.00 0.05 0.00 0.91 0.00 0.00 0.00 179.25 180.21 3g3b n TRP 123 N -4.47 0.00 -0.02 0.00 7.02 -0.80 -1.90 117.44 117.26 3g3b n TRP 123 Ca 0.08 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.61 3g3b n TRP 123 Cb 0.24 -0.38 -0.13 0.00 -2.42 0.00 0.00 31.31 28.62 3g3b n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3g3b n ILE 124 N -1.38 0.20 -1.91 -0.99 2.08 -0.91 -4.80 119.36 111.64 3g3b n ILE 124 Ca 0.03 -0.44 -0.42 0.00 0.56 0.00 0.00 62.75 62.49 3g3b n ILE 124 Cb 0.09 -0.01 -0.02 0.00 -0.75 0.00 0.00 39.64 38.94 3g3b n ILE 124 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3g3b s ARG 125 N -3.03 4.21 0.00 0.38 3.52 -0.80 -3.15 118.95 120.07 3g3b s ARG 125 Ca -0.06 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 3g3b s ARG 125 Cb 0.10 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3g3b s ARG 125 CO 0.69 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 3g3b n GLY 126 N 2.53 0.69 0.56 8.12 0.00 -1.26 -5.04 105.19 110.80 3g3b n GLY 126 Ca 0.09 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.85 3g3b n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32