#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3a s VAL 2 N 0.00 5.00 0.55 3.15 1.01 -1.26 -1.04 120.40 127.80 3g3a s VAL 2 Ca 0.00 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 3g3a s VAL 2 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3g3a s VAL 2 CO 0.00 -0.33 1.12 -0.36 0.00 0.00 0.00 175.10 175.53 3g3a s PHE 3 N 2.42 2.68 0.77 5.22 0.40 -0.19 -4.97 117.98 124.30 3g3a s PHE 3 Ca 0.18 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.94 3g3a s PHE 3 Cb -0.16 -3.27 0.05 0.00 0.51 0.00 0.00 43.02 40.16 3g3a s PHE 3 CO 0.14 -1.55 1.14 0.20 0.70 0.00 0.00 175.22 175.86 3g3a s GLY 4 N -1.86 1.61 0.07 4.36 0.00 -1.26 -4.84 107.32 105.40 3g3a s GLY 4 Ca 0.72 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 44.69 3g3a s GLY 4 CO 0.28 -0.07 1.67 -0.09 0.00 0.00 0.00 173.10 174.89 3g3a h ARG 5 N -0.90 0.00 -0.37 2.90 2.43 -1.97 -0.89 114.38 115.58 3g3a h ARG 5 Ca -0.46 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.55 3g3a h ARG 5 Cb 1.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3g3a h ARG 5 CO 0.65 0.07 -0.41 0.00 -1.51 0.00 0.00 179.97 178.77 3g3a h GLU 7 N 0.75 0.45 -0.17 0.00 4.81 -1.94 -0.36 114.58 118.12 3g3a h GLU 7 Ca 0.05 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3g3a h GLU 7 Cb 1.01 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3g3a h GLU 7 CO 0.10 0.29 -0.26 1.25 -0.73 0.00 0.00 179.01 179.67 3g3a h LEU 8 N 0.46 0.52 -0.26 1.64 5.85 -0.89 -2.16 115.31 120.47 3g3a h LEU 8 Ca 0.34 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3g3a h LEU 8 Cb 0.42 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3g3a h LEU 8 CO -0.32 0.94 -0.21 0.00 -0.34 0.00 0.00 178.44 178.52 3g3a h ALA 9 N 0.60 -0.05 -0.72 1.25 0.00 -0.90 0.10 119.26 119.55 3g3a h ALA 9 Ca 0.02 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.17 3g3a h ALA 9 Cb 0.83 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 3g3a h ALA 9 CO 0.06 -0.62 0.17 0.00 0.00 0.00 0.00 179.25 178.86 3g3a h ALA 10 N 0.91 0.91 -0.04 0.00 0.00 -1.08 -1.32 119.26 118.64 3g3a h ALA 10 Ca 0.14 0.16 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 3g3a h ALA 10 Cb 0.42 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3g3a h ALA 10 CO -0.37 -0.33 -0.84 0.00 0.00 0.00 0.00 179.25 177.71 3g3a h ALA 11 N 1.59 0.46 -0.81 0.00 0.00 -0.78 -2.82 119.26 116.91 3g3a h ALA 11 Ca 0.40 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3g3a h ALA 11 Cb 0.67 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3g3a h ALA 11 CO -0.49 0.79 0.38 0.52 0.00 0.00 0.00 179.25 180.44 3g3a h MET 12 N 0.27 1.16 0.50 0.00 2.86 -0.68 -2.37 114.93 116.67 3g3a h MET 12 Ca -0.06 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3g3a h MET 12 Cb 1.45 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3g3a h MET 12 CO 0.15 0.90 -0.24 -0.22 1.06 0.00 0.00 176.91 178.56 3g3a h LYS 13 N 1.15 -0.65 0.00 1.72 3.64 -1.23 0.11 116.57 121.32 3g3a h LYS 13 Ca 0.28 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3g3a h LYS 13 Cb 0.13 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3g3a h LYS 13 CO -0.03 -0.42 -0.00 0.07 -2.27 0.00 0.00 179.45 176.80 3g3a h ARG 14 N -0.71 0.00 -0.01 1.90 0.11 -1.46 0.27 114.38 114.49 3g3a h ARG 14 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3g3a h ARG 14 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3g3a h ARG 14 CO 0.11 0.00 -0.11 0.72 0.10 0.00 0.00 179.97 180.80 3g3a n HIS 15 N -3.13 0.00 -0.88 4.08 8.25 -0.90 -4.96 115.22 117.68 3g3a n HIS 15 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3g3a n HIS 15 Cb 0.13 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3g3a n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3a n GLY 16 N 1.24 0.67 0.22 -1.41 0.00 0.95 -4.97 105.19 101.90 3g3a n GLY 16 Ca 0.16 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.62 3g3a n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3a h LEU 17 N 0.00 0.00 -8.98 0.99 3.38 -0.96 -3.39 115.31 106.36 3g3a h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3g3a h LEU 17 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3g3a h LEU 17 CO 0.00 0.00 1.05 -0.62 0.09 0.00 0.00 178.44 178.96 3g3a s ASP 18 N -5.34 6.50 -0.26 -0.43 2.15 -1.26 -1.55 116.67 116.48 3g3a s ASP 18 Ca 0.03 1.37 0.00 0.00 0.43 0.00 0.00 52.55 54.39 3g3a s ASP 18 Cb 0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3g3a s ASP 18 CO 0.53 -1.19 0.00 -3.20 -0.17 0.00 0.00 175.17 171.13 3g3a n ASN 19 N 8.12 -4.49 -4.68 -0.34 5.15 0.17 -4.84 115.26 114.35 3g3a n ASN 19 Ca 0.17 0.06 -0.47 0.00 -0.60 0.00 0.00 54.58 53.74 3g3a n ASN 19 Cb 0.46 -2.21 -0.04 0.00 -0.53 0.00 0.00 39.78 37.46 3g3a n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g3a n TYR 20 N -2.53 2.33 -2.99 1.20 9.36 -0.60 -0.69 117.16 123.24 3g3a n TYR 20 Ca -0.02 0.13 -0.17 0.00 3.32 0.00 0.00 57.90 61.15 3g3a n TYR 20 Cb 0.28 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.38 3g3a n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3g3a n ARG 21 N 4.84 -2.89 -1.02 2.98 1.74 -1.26 -0.84 116.66 120.21 3g3a n ARG 21 Ca 0.19 0.44 -0.01 0.00 -0.77 0.00 0.00 57.85 57.70 3g3a n ARG 21 Cb 0.30 -5.08 -0.00 0.00 -1.02 0.00 0.00 32.46 26.65 3g3a n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3a n GLY 22 N -0.96 0.47 3.50 -0.13 0.00 0.13 -5.02 105.19 103.18 3g3a n GLY 22 Ca -0.05 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3g3a n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3a s TYR 23 N -1.92 3.20 0.61 1.61 2.02 -0.02 -4.89 117.35 117.96 3g3a s TYR 23 Ca 0.00 -0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.18 3g3a s TYR 23 Cb 0.00 -2.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.13 3g3a s TYR 23 CO 0.00 -0.38 1.25 -1.54 -1.57 0.00 0.00 175.55 173.31 3g3a s SER 24 N 1.68 4.98 0.29 2.29 1.04 -1.26 -0.66 113.70 122.05 3g3a s SER 24 Ca 0.06 2.50 0.02 0.00 0.48 0.00 0.00 55.95 59.01 3g3a s SER 24 Cb -0.17 -2.61 0.73 0.00 0.10 0.00 0.00 66.02 64.08 3g3a s SER 24 CO 0.08 -1.75 1.46 -0.11 0.98 0.00 0.00 173.24 173.91 3g3a n LEU 25 N -1.67 -0.09 0.05 2.42 7.94 -1.26 -1.14 117.00 123.25 3g3a n LEU 25 Ca 0.14 1.58 0.06 0.00 -1.11 0.00 0.00 56.01 56.68 3g3a n LEU 25 Cb 0.49 -0.58 0.48 0.00 0.53 0.00 0.00 43.42 44.34 3g3a n LEU 25 CO 0.46 -1.61 1.14 1.23 -1.11 0.00 0.00 177.39 177.50 3g3a h GLY 26 N 0.00 0.43 0.22 -3.96 0.00 -1.90 -1.46 103.07 96.40 3g3a h GLY 26 Ca 0.57 -0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.87 3g3a h GLY 26 CO -0.87 0.15 0.29 3.43 0.00 0.00 0.00 176.54 179.53 3g3a h ASN 27 N 0.41 0.27 0.42 0.19 2.35 -1.34 -0.44 115.58 117.45 3g3a h ASN 27 Ca 0.13 0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.78 3g3a h ASN 27 Cb 0.01 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3g3a h ASN 27 CO -0.03 0.12 -0.82 -0.50 -1.65 0.00 0.00 177.43 174.55 3g3a h TRP 28 N 0.44 0.42 -0.21 1.19 4.06 -1.40 -0.18 115.95 120.27 3g3a h TRP 28 Ca 0.39 -0.21 -0.05 0.00 2.06 0.00 0.00 58.89 61.07 3g3a h TRP 28 Cb 0.56 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 3g3a h TRP 28 CO -0.17 0.99 -0.08 0.28 -3.56 0.00 0.00 178.44 175.91 3g3a h VAL 29 N 0.18 1.30 -0.77 1.49 2.07 -1.42 -1.92 116.25 117.18 3g3a h VAL 29 Ca -0.04 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3g3a h VAL 29 Cb 1.42 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3g3a h VAL 29 CO 0.13 0.34 0.50 0.00 0.02 0.00 0.00 177.57 178.56 3g3a h ALA 31 N 1.27 -0.37 -0.07 0.00 0.00 -0.99 -2.80 119.26 116.31 3g3a h ALA 31 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3g3a h ALA 31 Cb -0.10 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3g3a h ALA 31 CO -0.06 -0.74 -0.18 0.00 0.00 0.00 0.00 179.25 178.27 3g3a h ALA 32 N 0.38 1.57 0.15 0.00 0.00 -1.21 -0.11 119.26 120.05 3g3a h ALA 32 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g3a h ALA 32 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g3a h ALA 32 CO -0.10 0.31 -0.21 -0.22 0.00 0.00 0.00 179.25 179.03 3g3a h LYS 33 N 0.10 -0.41 0.00 0.00 1.63 -1.33 -0.89 116.57 115.68 3g3a h LYS 33 Ca 0.02 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3g3a h LYS 33 Cb 0.39 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3g3a h LYS 33 CO 0.03 -0.27 -0.34 0.74 -3.45 0.00 0.00 179.45 176.15 3g3a h PHE 34 N -0.42 0.00 0.01 1.91 0.04 -1.16 -2.29 116.94 115.04 3g3a h PHE 34 Ca 0.01 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.57 3g3a h PHE 34 Cb 0.42 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.59 3g3a h PHE 34 CO -0.18 0.34 -0.86 0.93 -0.60 0.00 0.00 178.31 177.95 3g3a h GLU 35 N 0.00 0.56 0.00 1.51 4.39 -0.95 -3.42 114.58 116.66 3g3a h GLU 35 Ca -0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 3g3a h GLU 35 Cb 1.23 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3g3a h GLU 35 CO 0.04 1.23 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 3g3a n SER 36 N -4.02 0.05 -3.97 1.42 3.41 -0.36 -4.74 113.62 105.41 3g3a n SER 36 Ca -0.11 -0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 57.62 3g3a n SER 36 Cb 0.80 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 3g3a n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3g3a n ASN 37 N -0.04 -4.50 0.00 4.04 2.85 -0.86 -2.20 115.26 114.55 3g3a n ASN 37 Ca 0.00 -0.82 0.00 0.00 -0.11 0.00 0.00 54.58 53.65 3g3a n ASN 37 Cb 0.12 -3.61 0.00 0.00 1.24 0.00 0.00 39.78 37.53 3g3a n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3g3a n PHE 38 N -4.60 0.00 -3.27 1.20 3.72 -1.17 -4.85 117.46 108.49 3g3a n PHE 38 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 3g3a n PHE 38 Cb 0.52 -0.77 -0.08 0.00 -0.94 0.00 0.00 39.48 38.21 3g3a n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g3a s ASN 39 N -2.06 6.28 0.61 4.37 2.47 -0.93 -1.02 114.94 124.65 3g3a s ASN 39 Ca 0.00 -0.18 0.40 0.00 0.42 0.00 0.00 52.86 53.50 3g3a s ASN 39 Cb 0.00 -2.26 1.98 0.00 -1.45 0.00 0.00 41.25 39.53 3g3a s ASN 39 CO 0.00 -0.50 2.20 0.71 -3.72 0.00 0.00 177.10 175.79 3g3a h THR 40 N 5.64 0.00 -0.51 -5.21 1.35 -1.41 -2.86 112.91 109.91 3g3a h THR 40 Ca -0.28 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3g3a h THR 40 Cb 1.12 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3g3a h THR 40 CO 0.77 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 3g3a n GLN 41 N -3.04 2.47 -1.66 4.72 6.02 -1.26 -3.73 117.38 120.90 3g3a n GLN 41 Ca -0.02 -2.25 -0.46 0.00 -0.01 0.00 0.00 57.00 54.27 3g3a n GLN 41 Cb 0.16 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 3g3a n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3a n ALA 42 N 1.38 0.81 -2.93 -1.58 0.00 -1.08 -4.85 120.51 112.27 3g3a n ALA 42 Ca 0.21 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 3g3a n ALA 42 Cb 0.56 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.64 3g3a n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g3a s THR 43 N -0.01 0.00 -0.21 0.00 2.01 -1.26 -1.91 115.64 114.26 3g3a s THR 43 Ca 0.70 -0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.65 3g3a s THR 43 Cb -0.69 -0.09 0.11 0.00 0.01 0.00 0.00 72.50 71.84 3g3a s THR 43 CO 0.49 -0.00 0.37 0.21 -0.69 0.00 0.00 174.62 175.00 3g3a s ASN 44 N 0.03 0.10 -0.02 3.53 2.47 -0.66 -4.95 114.94 115.44 3g3a s ASN 44 Ca -0.00 0.55 -0.29 0.00 0.42 0.00 0.00 52.86 53.53 3g3a s ASN 44 Cb -0.00 1.13 -0.03 0.00 -1.45 0.00 0.00 41.25 40.90 3g3a s ASN 44 CO 0.00 -0.27 0.96 -0.13 -3.72 0.00 0.00 177.10 173.95 3g3a s ARG 45 N 2.55 4.53 0.28 0.43 1.81 -1.26 0.12 118.95 127.40 3g3a s ARG 45 Ca 0.06 1.37 0.05 0.00 -1.72 0.00 0.00 55.73 55.49 3g3a s ARG 45 Cb -0.14 -3.47 -0.02 0.00 -0.45 0.00 0.00 34.95 30.87 3g3a s ARG 45 CO -0.14 -0.09 0.40 -0.80 -0.68 0.00 0.00 175.30 174.00 3g3a s ASN 46 N 1.01 6.20 0.49 0.23 0.01 0.94 -4.95 114.94 118.87 3g3a s ASN 46 Ca 0.50 0.00 0.26 0.00 -0.71 0.00 0.00 52.86 52.91 3g3a s ASN 46 Cb -0.20 -1.66 1.22 0.00 0.41 0.00 0.00 41.25 41.02 3g3a s ASN 46 CO 0.25 -0.20 1.96 0.71 -1.51 0.00 0.00 177.10 178.32 3g3a h THR 47 N 1.06 0.56 -0.00 1.60 1.35 -1.96 -2.62 112.91 112.89 3g3a h THR 47 Ca -0.50 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3g3a h THR 47 Cb 1.24 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3g3a h THR 47 CO 0.58 0.17 -0.02 -0.90 -0.25 0.00 0.00 175.52 175.10 3g3a n ASP 48 N -3.52 0.44 0.00 5.36 5.75 -1.26 -4.88 116.55 118.44 3g3a n ASP 48 Ca -0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3g3a n ASP 48 Cb 0.32 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3g3a n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3a n GLY 49 N 1.10 0.19 3.91 6.12 0.00 -0.99 -4.99 105.19 110.53 3g3a n GLY 49 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3g3a n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3a s SER 50 N -2.21 4.32 0.06 1.61 1.04 -1.26 -4.61 113.70 112.65 3g3a s SER 50 Ca 0.00 0.66 0.06 0.00 0.48 0.00 0.00 55.95 57.14 3g3a s SER 50 Cb 0.00 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.00 3g3a s SER 50 CO 0.00 -2.00 -0.15 -0.89 0.98 0.00 0.00 173.24 171.17 3g3a s THR 51 N -3.59 1.23 -0.05 2.02 2.01 -1.26 -0.04 115.64 115.96 3g3a s THR 51 Ca 0.64 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 3g3a s THR 51 Cb -0.10 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 3g3a s THR 51 CO 0.49 -0.07 0.40 -1.81 -0.69 0.00 0.00 174.62 172.95 3g3a s ASP 52 N -1.44 6.73 0.03 3.53 1.11 0.33 -1.53 116.67 125.43 3g3a s ASP 52 Ca 0.01 0.87 0.06 0.00 0.18 0.00 0.00 52.55 53.67 3g3a s ASP 52 Cb -0.09 -2.25 -0.02 0.00 1.07 0.00 0.00 42.92 41.63 3g3a s ASP 52 CO 0.02 0.23 -0.18 -0.31 1.18 0.00 0.00 175.17 176.12 3g3a s TYR 53 N -0.53 1.55 0.00 4.23 2.02 -0.12 -1.65 117.35 122.84 3g3a s TYR 53 Ca 0.23 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3g3a s TYR 53 Cb -0.16 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3g3a s TYR 53 CO 0.11 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.55 3g3a n GLY 54 N 2.09 -1.98 0.26 0.71 0.00 -0.80 -0.95 105.19 104.52 3g3a n GLY 54 Ca -0.17 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3g3a n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3g3a h ILE 55 N 0.00 0.43 -0.07 -0.61 3.07 -1.74 -2.75 117.51 115.83 3g3a h ILE 55 Ca 0.00 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.75 3g3a h ILE 55 Cb 0.00 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 3g3a h ILE 55 CO 0.00 0.12 0.00 0.18 -1.05 0.00 0.00 178.15 177.40 3g3a n LEU 56 N -3.43 2.50 -3.77 0.16 4.77 -1.26 -3.64 117.00 112.33 3g3a n LEU 56 Ca -0.01 -2.62 -0.34 0.00 -0.03 0.00 0.00 56.01 53.01 3g3a n LEU 56 Cb 0.29 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3g3a n LEU 56 CO 0.30 0.64 -0.10 0.00 -1.33 0.00 0.00 177.39 176.90 3g3a n GLN 57 N -0.81 -1.09 -2.60 3.23 1.13 -1.04 -4.93 117.38 111.27 3g3a n GLN 57 Ca 0.11 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 3g3a n GLN 57 Cb 0.53 -3.82 -0.04 0.00 0.11 0.00 0.00 30.24 27.02 3g3a n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3g3a s ILE 58 N -3.49 4.14 0.12 5.09 -1.09 -0.12 -4.41 121.20 121.43 3g3a s ILE 58 Ca 0.47 1.80 -0.23 0.00 -2.23 0.00 0.00 60.65 60.46 3g3a s ILE 58 Cb -0.18 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.47 3g3a s ILE 58 CO 0.88 0.29 0.71 0.21 -1.23 0.00 0.00 174.94 175.81 3g3a s ASN 59 N -0.04 7.27 0.00 3.58 3.84 -1.26 -0.95 114.94 127.38 3g3a s ASN 59 Ca 0.49 1.50 0.31 0.00 0.21 0.00 0.00 52.86 55.37 3g3a s ASN 59 Cb -0.27 -2.45 1.72 0.00 -0.55 0.00 0.00 41.25 39.70 3g3a s ASN 59 CO 0.32 0.21 2.14 -1.54 -2.79 0.00 0.00 177.10 175.44 3g3a n SER 60 N 1.77 0.08 -0.07 -4.21 3.41 -0.58 -2.07 113.62 111.96 3g3a n SER 60 Ca -0.07 -0.74 -0.15 0.00 -0.26 0.00 0.00 58.87 57.66 3g3a n SER 60 Cb 0.49 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3g3a n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g3a h ARG 61 N 0.12 0.73 0.00 4.33 9.65 -1.84 -3.40 114.38 123.97 3g3a h ARG 61 Ca 0.00 -0.48 -0.20 0.00 -1.10 0.00 0.00 59.98 58.20 3g3a h ARG 61 Cb 0.13 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 3g3a h ARG 61 CO 0.00 1.10 -1.77 0.91 2.80 0.00 0.00 179.97 183.01 3g3a n TRP 62 N -4.14 0.00 -0.03 2.20 7.02 -1.22 0.20 117.44 121.48 3g3a n TRP 62 Ca -0.05 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.40 3g3a n TRP 62 Cb 0.58 -0.53 -0.04 0.00 -2.42 0.00 0.00 31.31 28.90 3g3a n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3a n TRP 63 N -2.75 0.00 -4.23 -5.99 7.02 -0.88 -1.34 117.44 109.27 3g3a n TRP 63 Ca -0.22 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.13 3g3a n TRP 63 Cb 0.79 -0.27 -0.10 0.00 -2.42 0.00 0.00 31.31 29.30 3g3a n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g3a s ASN 65 N -3.16 5.05 0.00 0.00 2.47 0.06 -4.63 114.94 114.73 3g3a s ASN 65 Ca 0.26 -0.17 0.04 0.00 0.42 0.00 0.00 52.86 53.40 3g3a s ASN 65 Cb 0.07 -1.88 0.02 0.00 -1.45 0.00 0.00 41.25 38.00 3g3a s ASN 65 CO 0.05 0.03 0.55 -0.90 -3.72 0.00 0.00 177.10 173.11 3g3a n ASP 66 N 4.47 1.14 -1.10 -4.21 5.68 -1.26 -0.87 116.55 120.40 3g3a n ASP 66 Ca -0.17 -1.07 -0.14 0.00 -0.50 0.00 0.00 54.79 52.91 3g3a n ASP 66 Cb 0.52 0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.57 3g3a n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3a n GLY 67 N 0.32 1.47 0.00 6.12 0.00 -1.26 -4.76 105.19 107.08 3g3a n GLY 67 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3g3a n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g3a n ARG 68 N -2.39 0.00 -3.60 1.61 1.85 -1.26 -5.00 116.66 107.86 3g3a n ARG 68 Ca -0.14 -0.39 -0.40 0.00 -1.00 0.00 0.00 57.85 55.92 3g3a n ARG 68 Cb 0.49 -0.39 -0.09 0.00 -1.05 0.00 0.00 32.46 31.42 3g3a n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g3a s THR 69 N 0.00 4.03 0.22 8.89 2.01 -1.26 -4.91 115.64 124.62 3g3a s THR 69 Ca 0.00 -1.77 -0.30 0.00 0.31 0.00 0.00 61.69 59.93 3g3a s THR 69 Cb 0.00 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 3g3a s THR 69 CO 0.00 -0.71 1.40 -2.84 -0.69 0.00 0.00 174.62 171.78 3g3a s PRO 70 N 1.33 4.31 -1.02 4.92 0.02 -1.26 -2.99 135.00 140.30 3g3a s PRO 70 Ca 0.06 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3g3a s PRO 70 Cb -0.25 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3g3a s PRO 70 CO -0.01 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 3g3a n GLY 71 N 2.40 -0.02 3.97 0.52 0.00 -1.26 -4.99 105.19 105.81 3g3a n GLY 71 Ca 0.07 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3g3a n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3a s SER 72 N -2.50 5.92 0.43 1.61 1.04 -1.16 -5.01 113.70 114.04 3g3a s SER 72 Ca 0.00 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.52 3g3a s SER 72 Cb 0.00 -1.38 -0.05 0.00 0.10 0.00 0.00 66.02 64.69 3g3a s SER 72 CO 0.00 -0.53 0.14 -0.13 0.98 0.00 0.00 173.24 173.69 3g3a s ARG 73 N -4.33 2.16 -0.46 4.02 1.81 0.13 -4.99 118.95 117.29 3g3a s ARG 73 Ca 0.46 -1.99 0.07 0.00 -1.72 0.00 0.00 55.73 52.55 3g3a s ARG 73 Cb -0.10 -1.86 0.25 0.00 -0.45 0.00 0.00 34.95 32.80 3g3a s ARG 73 CO 0.34 -0.17 0.58 -1.71 -0.68 0.00 0.00 175.30 173.66 3g3a n ASN 74 N -1.22 1.20 0.27 0.23 5.15 -1.21 -3.55 115.26 116.13 3g3a n ASN 74 Ca -0.04 -2.90 0.13 0.00 -0.60 0.00 0.00 54.58 51.16 3g3a n ASN 74 Cb 0.65 -0.65 0.75 0.00 -0.53 0.00 0.00 39.78 40.00 3g3a n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3g3a h LEU 75 N 4.09 0.00 -0.49 1.20 3.38 -1.16 -2.40 115.31 119.93 3g3a h LEU 75 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g3a h LEU 75 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3g3a h LEU 75 CO 0.57 0.10 -0.30 0.00 0.09 0.00 0.00 178.44 178.89 3g3a n ASN 77 N -0.67 -1.21 -3.97 0.00 3.02 -0.90 -4.95 115.26 106.58 3g3a n ASN 77 Ca 0.11 -0.85 -0.09 0.00 -0.03 0.00 0.00 54.58 53.72 3g3a n ASN 77 Cb 0.36 -3.91 -0.11 0.00 -0.61 0.00 0.00 39.78 35.51 3g3a n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3g3a s ILE 78 N -3.70 0.11 0.39 2.41 -4.36 -1.26 -5.07 121.20 109.71 3g3a s ILE 78 Ca 0.02 -0.88 -0.26 0.00 -0.26 0.00 0.00 60.65 59.28 3g3a s ILE 78 Cb -0.01 -0.27 -0.09 0.00 1.25 0.00 0.00 42.46 43.34 3g3a s ILE 78 CO 0.82 -0.48 1.20 -2.84 0.24 0.00 0.00 174.94 173.88 3g3a s PRO 79 N -1.43 4.09 0.56 0.37 0.02 -1.26 -0.76 135.00 136.59 3g3a s PRO 79 Ca -0.16 1.92 0.34 0.00 0.02 0.00 0.00 61.00 63.12 3g3a s PRO 79 Cb -0.10 -2.75 1.54 0.00 0.02 0.00 0.00 34.50 33.21 3g3a s PRO 79 CO -0.01 -0.31 2.06 0.00 -0.33 0.00 0.00 177.00 178.41 3g3a h SER 81 N 0.00 0.78 -0.36 0.00 4.64 -1.92 -1.88 113.55 114.81 3g3a h SER 81 Ca -0.00 -0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3g3a h SER 81 Cb 0.41 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3g3a h SER 81 CO 0.01 0.83 0.35 0.00 -0.87 0.00 0.00 176.83 177.15 3g3a h ALA 82 N 1.26 2.11 0.00 5.18 0.00 -1.90 0.48 119.26 126.39 3g3a h ALA 82 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3g3a h ALA 82 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3g3a h ALA 82 CO 0.02 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.01 3g3a n LEU 83 N -3.91 0.00 -1.13 0.00 4.32 -0.71 -3.12 117.00 112.45 3g3a n LEU 83 Ca 0.06 0.32 0.12 0.00 -0.02 0.00 0.00 56.01 56.49 3g3a n LEU 83 Cb 0.52 -0.32 0.20 0.00 -1.62 0.00 0.00 43.42 42.20 3g3a n LEU 83 CO 0.30 -0.05 0.69 0.18 -1.22 0.00 0.00 177.39 177.29 3g3a n LEU 84 N -1.32 3.42 -4.83 2.23 4.77 0.16 -3.62 117.00 117.81 3g3a n LEU 84 Ca 0.11 -1.44 -0.33 0.00 -0.03 0.00 0.00 56.01 54.32 3g3a n LEU 84 Cb 0.22 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3g3a n LEU 84 CO 0.20 0.72 0.68 -0.55 -1.33 0.00 0.00 177.39 177.10 3g3a s SER 85 N -1.55 6.61 0.39 -1.43 0.15 -1.18 -4.33 113.70 112.37 3g3a s SER 85 Ca 0.37 1.68 0.28 0.00 0.70 0.00 0.00 55.95 58.98 3g3a s SER 85 Cb 0.22 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 63.20 3g3a s SER 85 CO 0.31 -0.59 1.84 0.77 1.20 0.00 0.00 173.24 176.78 3g3a h SER 86 N 1.29 0.00 -3.49 5.45 4.64 -1.94 -3.39 113.55 116.11 3g3a h SER 86 Ca -0.48 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.23 3g3a h SER 86 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 3g3a h SER 86 CO 0.61 0.00 0.51 -0.62 -0.87 0.00 0.00 176.83 176.46 3g3a s ASP 87 N -4.84 6.42 0.00 4.97 -1.08 -1.26 -4.94 116.67 115.93 3g3a s ASP 87 Ca 0.02 -0.12 0.23 0.00 -0.52 0.00 0.00 52.55 52.17 3g3a s ASP 87 Cb 0.09 -2.43 1.39 0.00 -1.46 0.00 0.00 42.92 40.51 3g3a s ASP 87 CO 0.45 -1.08 1.76 2.30 0.52 0.00 0.00 175.17 179.12 3g3a n ILE 88 N 6.26 0.00 -0.02 4.11 -5.35 -1.26 -4.31 119.36 118.79 3g3a n ILE 88 Ca 0.03 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 3g3a n ILE 88 Cb 0.48 -0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 37.69 3g3a n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3g3a h THR 89 N 0.00 0.12 -0.90 7.28 2.02 -1.93 0.19 112.91 119.70 3g3a h THR 89 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3g3a h THR 89 Cb 0.00 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 3g3a h THR 89 CO 0.00 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.47 3g3a h ALA 90 N 0.12 1.22 -0.44 6.16 0.00 -1.84 -1.35 119.26 123.12 3g3a h ALA 90 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g3a h ALA 90 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3g3a h ALA 90 CO -0.43 0.39 0.06 0.77 0.00 0.00 0.00 179.25 180.03 3g3a h SER 91 N 1.08 0.65 -0.34 0.00 0.02 -1.71 -1.25 113.55 112.00 3g3a h SER 91 Ca 0.38 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3g3a h SER 91 Cb 0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3g3a h SER 91 CO -0.15 0.68 -0.05 0.58 -1.14 0.00 0.00 176.83 176.75 3g3a h VAL 92 N 0.66 1.27 -0.38 2.27 2.07 -0.61 -1.64 116.25 119.90 3g3a h VAL 92 Ca 0.14 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3g3a h VAL 92 Cb 0.33 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3g3a h VAL 92 CO 0.01 0.35 0.06 0.78 0.02 0.00 0.00 177.57 178.79 3g3a h ASN 93 N 0.43 0.60 0.05 0.57 2.35 -1.05 -1.54 115.58 117.00 3g3a h ASN 93 Ca 0.09 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3g3a h ASN 93 Cb 0.53 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3g3a h ASN 93 CO 0.03 0.71 -0.06 0.00 -1.65 0.00 0.00 177.43 176.45 3g3a h ALA 95 N 0.82 0.00 -0.66 0.00 0.00 -1.09 -0.45 119.26 117.89 3g3a h ALA 95 Ca 0.01 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.17 3g3a h ALA 95 Cb 0.13 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 3g3a h ALA 95 CO -0.03 -0.61 0.12 0.87 0.00 0.00 0.00 179.25 179.61 3g3a h LYS 96 N -0.17 0.23 -0.36 0.00 1.57 -1.31 -0.20 116.57 116.32 3g3a h LYS 96 Ca 0.17 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3g3a h LYS 96 Cb 0.44 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3g3a h LYS 96 CO -0.45 0.15 0.07 -0.22 -0.57 0.00 0.00 179.45 178.43 3g3a h LYS 97 N 0.24 0.18 -0.55 3.15 1.63 -0.92 -2.51 116.57 117.79 3g3a h LYS 97 Ca 0.36 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.17 3g3a h LYS 97 Cb 0.57 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 3g3a h LYS 97 CO -0.47 0.12 0.33 0.82 -3.45 0.00 0.00 179.45 176.80 3g3a h ILE 98 N 0.19 1.04 -0.27 2.00 2.04 -0.09 -0.38 117.51 122.05 3g3a h ILE 98 Ca 0.17 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3g3a h ILE 98 Cb 0.20 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3g3a h ILE 98 CO -0.23 0.12 0.18 0.58 0.00 0.00 0.00 178.15 178.80 3g3a h VAL 99 N 0.64 1.07 0.33 1.67 2.07 -0.94 -0.38 116.25 120.71 3g3a h VAL 99 Ca 0.23 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3g3a h VAL 99 Cb 0.04 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3g3a h VAL 99 CO -0.11 0.07 -0.16 0.77 0.02 0.00 0.00 177.57 178.16 3g3a h SER 100 N 0.37 -0.38 -0.93 0.57 4.64 -1.27 -3.29 113.55 113.26 3g3a h SER 100 Ca 0.10 -0.15 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3g3a h SER 100 Cb -0.04 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 3g3a h SER 100 CO -0.02 -0.03 0.60 0.44 -0.87 0.00 0.00 176.83 176.95 3g3a h ASP 101 N -0.77 0.89 0.00 4.97 3.45 -1.09 -3.50 116.42 120.37 3g3a h ASP 101 Ca -0.05 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3g3a h ASP 101 Cb 0.51 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3g3a h ASP 101 CO 0.07 0.54 0.00 0.61 -1.57 0.00 0.00 179.24 178.90 3g3a n GLY 102 N -1.39 0.63 0.00 2.75 0.00 -0.16 -5.09 105.19 101.94 3g3a n GLY 102 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3g3a n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3a n GLY 104 N 5.00 0.25 0.00 -0.02 0.00 -1.26 -4.95 105.19 104.21 3g3a n GLY 104 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3g3a n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3a n MET 105 N 0.00 0.44 0.17 1.61 2.81 -1.26 -3.61 117.12 117.28 3g3a n MET 105 Ca 0.00 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 3g3a n MET 105 Cb 0.00 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 31.62 3g3a n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3g3a h ASN 106 N 0.00 0.00 -0.30 7.83 -0.26 -1.98 -0.95 115.58 119.93 3g3a h ASN 106 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3g3a h ASN 106 Cb 0.25 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 3g3a h ASN 106 CO 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 177.43 176.53 3g3a h ALA 107 N 2.10 1.67 -1.69 -0.83 0.00 -1.93 -3.37 119.26 115.22 3g3a h ALA 107 Ca 0.00 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.20 3g3a h ALA 107 Cb 0.19 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.69 3g3a h ALA 107 CO 0.00 0.28 0.64 -1.58 0.00 0.00 0.00 179.25 178.59 3g3a s TRP 108 N -5.29 2.76 0.33 0.00 0.51 -0.36 -4.92 118.94 111.96 3g3a s TRP 108 Ca -0.08 -0.73 0.01 0.00 -2.12 0.00 0.00 56.10 53.18 3g3a s TRP 108 Cb 0.17 -4.31 0.56 0.00 -0.81 0.00 0.00 33.47 29.08 3g3a s TRP 108 CO 0.73 -1.63 1.97 0.28 -0.51 0.00 0.00 176.95 177.78 3g3a h VAL 109 N 5.98 1.18 -0.54 4.03 2.07 -1.83 -2.42 116.25 124.72 3g3a h VAL 109 Ca -0.18 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3g3a h VAL 109 Cb 1.06 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3g3a h VAL 109 CO 1.18 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 178.94 3g3a h ALA 110 N 1.53 0.95 -0.98 1.67 0.00 -1.95 -1.92 119.26 118.56 3g3a h ALA 110 Ca 0.23 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3g3a h ALA 110 Cb -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3g3a h ALA 110 CO -0.04 0.63 0.64 2.35 0.00 0.00 0.00 179.25 182.83 3g3a h TRP 111 N 0.85 1.21 -0.60 0.00 7.01 -1.84 0.33 115.95 122.92 3g3a h TRP 111 Ca 0.15 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 3g3a h TRP 111 Cb 0.53 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 3g3a h TRP 111 CO 0.03 0.71 0.09 -0.09 -2.79 0.00 0.00 178.44 176.39 3g3a h ARG 112 N 1.26 0.97 0.02 2.65 2.43 -0.93 0.15 114.38 120.93 3g3a h ARG 112 Ca 0.39 -0.24 -0.28 0.00 -0.81 0.00 0.00 59.98 59.03 3g3a h ARG 112 Cb -0.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3g3a h ARG 112 CO -0.12 0.90 -1.58 -0.91 -1.51 0.00 0.00 179.97 176.75 3g3a h ASN 113 N 0.91 0.07 0.00 -3.80 -0.26 -1.08 -3.38 115.58 108.04 3g3a h ASN 113 Ca 0.18 -0.13 -0.17 0.00 -0.56 0.00 0.00 56.30 55.62 3g3a h ASN 113 Cb 0.41 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.61 3g3a h ASN 113 CO 0.01 1.11 -1.83 0.54 -1.06 0.00 0.00 177.43 176.21 3g3a n ARG 114 N -3.18 1.42 -0.05 0.81 5.12 0.11 -4.85 116.66 116.05 3g3a n ARG 114 Ca -0.15 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 3g3a n ARG 114 Cb 1.03 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.95 3g3a n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g3a n LYS 116 N -3.19 2.71 -1.00 0.00 4.81 0.39 -1.65 118.16 120.23 3g3a n LYS 116 Ca -0.20 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3g3a n LYS 116 Cb 0.67 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.87 3g3a n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g3a n GLY 117 N 4.08 0.66 4.00 3.14 0.00 -1.26 -4.94 105.19 110.87 3g3a n GLY 117 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3g3a n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3a s THR 118 N -2.65 2.22 -0.78 2.61 -4.23 -0.66 -4.97 115.64 107.18 3g3a s THR 118 Ca 0.00 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.61 3g3a s THR 118 Cb 0.00 -2.55 -0.16 0.00 1.34 0.00 0.00 72.50 71.12 3g3a s THR 118 CO 0.00 0.00 1.90 -0.67 -0.54 0.00 0.00 174.62 175.31 3g3a n ASP 119 N -2.66 2.49 0.14 3.99 4.64 -1.26 -4.73 116.55 119.15 3g3a n ASP 119 Ca 0.14 -2.67 0.13 0.00 -1.38 0.00 0.00 54.79 51.01 3g3a n ASP 119 Cb 0.61 -1.17 0.46 0.00 -1.04 0.00 0.00 41.12 39.97 3g3a n ASP 119 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3g3a h VAL 120 N 4.81 0.00 0.00 5.18 -1.51 -1.93 -1.54 116.25 121.26 3g3a h VAL 120 Ca 0.37 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 3g3a h VAL 120 Cb 0.72 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3g3a h VAL 120 CO 1.84 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 178.18 3g3a n GLN 121 N -2.36 0.18 -0.04 5.19 1.13 -1.26 -1.86 117.38 118.35 3g3a n GLN 121 Ca 0.03 0.15 0.03 0.00 -1.94 0.00 0.00 57.00 55.27 3g3a n GLN 121 Cb 0.32 -1.50 0.37 0.00 0.11 0.00 0.00 30.24 29.55 3g3a n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g3a h ALA 122 N 2.72 1.61 0.00 -1.58 0.00 -1.68 -2.37 119.26 117.96 3g3a h ALA 122 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g3a h ALA 122 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g3a h ALA 122 CO 0.00 0.34 0.00 0.91 0.00 0.00 0.00 179.25 180.50 3g3a n TRP 123 N -4.44 0.00 0.06 0.00 7.02 -0.78 -2.08 117.44 117.23 3g3a n TRP 123 Ca 0.04 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.53 3g3a n TRP 123 Cb 0.08 -0.44 -0.00 0.00 -2.42 0.00 0.00 31.31 28.53 3g3a n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3g3a n ILE 124 N -1.44 0.00 -1.79 -0.99 2.08 -0.90 -4.82 119.36 111.50 3g3a n ILE 124 Ca 0.01 -0.48 -0.42 0.00 0.56 0.00 0.00 62.75 62.42 3g3a n ILE 124 Cb 0.03 1.01 -0.03 0.00 -0.75 0.00 0.00 39.64 39.91 3g3a n ILE 124 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g3a s ARG 125 N -0.70 4.15 0.00 0.38 1.70 -0.88 -2.58 118.95 121.03 3g3a s ARG 125 Ca 0.01 2.53 0.00 0.00 -0.47 0.00 0.00 55.73 57.80 3g3a s ARG 125 Cb 0.01 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.09 3g3a s ARG 125 CO 0.04 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 173.92 3g3a n GLY 126 N 4.01 0.65 0.00 3.88 0.00 -1.26 -5.01 105.19 107.46 3g3a n GLY 126 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3g3a n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32