#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 4.71 0.47 3.15 1.01 -1.26 -1.58 120.40 126.90 3g3a s VAL 2 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 3g3a s VAL 2 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 3g3a s VAL 2 CO 0.00 -0.74 1.17 -0.36 0.00 0.00 0.00 175.10 175.16 3g3a s PHE 3 N 3.11 2.84 0.67 5.22 0.40 -0.80 -5.01 117.98 124.41 3g3a s PHE 3 Ca 0.25 1.53 -0.11 0.00 -0.60 0.00 0.00 56.93 58.00 3g3a s PHE 3 Cb -0.14 -3.39 -0.01 0.00 0.51 0.00 0.00 43.02 39.99 3g3a s PHE 3 CO 0.19 -1.56 1.07 0.20 0.70 0.00 0.00 175.22 175.82 3g3a s GLY 4 N -1.37 1.64 0.13 4.36 0.00 -1.26 -4.79 107.32 106.02 3g3a s GLY 4 Ca 0.64 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.94 3g3a s GLY 4 CO 0.35 0.09 1.76 -0.09 0.00 0.00 0.00 173.10 175.20 3g3a h ARG 5 N -0.52 0.38 -0.07 2.90 2.43 -1.97 -0.46 114.38 117.07 3g3a h ARG 5 Ca -0.45 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.49 3g3a h ARG 5 Cb 1.23 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3g3a h ARG 5 CO 0.63 0.29 -0.79 0.00 -1.51 0.00 0.00 179.97 178.59 3g3a h GLU 7 N 0.29 0.36 -0.04 0.00 4.81 -1.90 -0.27 114.58 117.83 3g3a h GLU 7 Ca -0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3g3a h GLU 7 Cb 1.39 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 3g3a h GLU 7 CO 0.14 0.24 0.01 1.25 -0.73 0.00 0.00 179.01 179.92 3g3a h LEU 8 N 0.37 0.07 -0.82 1.64 5.85 -1.05 -2.28 115.31 119.09 3g3a h LEU 8 Ca 0.14 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.79 3g3a h LEU 8 Cb 0.04 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.95 3g3a h LEU 8 CO -0.09 0.27 0.39 0.00 -0.34 0.00 0.00 178.44 178.67 3g3a h ALA 9 N 0.80 1.22 -0.06 1.25 0.00 -1.07 0.22 119.26 121.63 3g3a h ALA 9 Ca 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3g3a h ALA 9 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3g3a h ALA 9 CO -0.00 -0.16 -0.59 0.00 0.00 0.00 0.00 179.25 178.50 3g3a h ALA 10 N 1.57 0.90 -0.13 0.00 0.00 -1.04 -1.61 119.26 118.96 3g3a h ALA 10 Ca 0.46 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 3g3a h ALA 10 Cb 0.69 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3g3a h ALA 10 CO -0.39 0.73 -0.79 0.00 0.00 0.00 0.00 179.25 178.79 3g3a h ALA 11 N 1.25 0.35 -0.70 0.00 0.00 -0.43 -2.61 119.26 117.13 3g3a h ALA 11 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3g3a h ALA 11 Cb 1.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3g3a h ALA 11 CO 0.09 0.70 0.25 0.52 0.00 0.00 0.00 179.25 180.81 3g3a h MET 12 N 0.48 1.06 -0.96 0.00 2.86 -0.56 -1.58 114.93 116.24 3g3a h MET 12 Ca -0.05 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3g3a h MET 12 Cb 1.42 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 3g3a h MET 12 CO 0.16 0.90 0.62 -0.22 1.06 0.00 0.00 176.91 179.43 3g3a h LYS 13 N 1.01 1.28 -0.73 1.72 3.64 -1.33 -1.00 116.57 121.15 3g3a h LYS 13 Ca 0.23 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3g3a h LYS 13 Cb 0.26 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3g3a h LYS 13 CO -0.01 0.86 0.28 -0.09 -2.27 0.00 0.00 179.45 178.21 3g3a h ARG 14 N 1.31 1.10 -0.26 1.90 2.43 -1.04 -2.89 114.38 116.93 3g3a h ARG 14 Ca 0.35 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3g3a h ARG 14 Cb -0.12 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3g3a h ARG 14 CO -0.07 0.90 0.00 0.72 -1.51 0.00 0.00 179.97 180.01 3g3a n HIS 15 N -4.28 0.16 -1.26 2.20 8.25 -0.63 -4.90 115.22 114.76 3g3a n HIS 15 Ca 0.06 -0.07 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3g3a n HIS 15 Cb 0.19 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 0.54 0.68 0.19 -1.41 0.00 -1.08 -4.96 105.19 99.14 3g3a n GLY 16 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 0.01 -9.26 0.99 3.38 -1.41 -3.38 115.31 105.63 3g3a h LEU 17 Ca -0.10 -0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.32 3g3a h LEU 17 Cb 0.41 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3g3a h LEU 17 CO 0.14 0.38 1.30 -0.62 0.09 0.00 0.00 178.44 179.74 3g3a s ASP 18 N -6.93 6.18 -1.95 -0.43 2.15 -1.26 -1.45 116.67 112.97 3g3a s ASP 18 Ca -0.03 2.46 0.00 0.00 0.43 0.00 0.00 52.55 55.42 3g3a s ASP 18 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3g3a s ASP 18 CO 0.73 -1.30 0.00 0.59 -0.17 0.00 0.00 175.17 175.02 3g3a n ASN 19 N 8.66 -5.50 -4.64 -0.34 4.13 0.23 -4.86 115.26 112.95 3g3a n ASN 19 Ca 0.23 0.28 -0.42 0.00 1.68 0.00 0.00 54.58 56.34 3g3a n ASN 19 Cb 0.42 -4.74 -0.03 0.00 -1.54 0.00 0.00 39.78 33.90 3g3a n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3g3a s TYR 20 N -2.84 1.62 -1.45 3.10 5.04 -0.53 -1.73 117.35 120.56 3g3a s TYR 20 Ca 0.00 0.15 -0.11 0.00 -2.44 0.00 0.00 57.07 54.67 3g3a s TYR 20 Cb 0.00 -4.05 0.05 0.00 0.35 0.00 0.00 41.96 38.31 3g3a s TYR 20 CO 0.00 -4.20 1.09 0.54 -1.34 0.00 0.00 175.55 171.63 3g3a n ARG 21 N 7.76 -6.74 -1.21 4.97 1.74 -1.26 -1.99 116.66 119.93 3g3a n ARG 21 Ca 0.21 0.71 -0.07 0.00 -0.77 0.00 0.00 57.85 57.93 3g3a n ARG 21 Cb 0.43 -5.69 -0.03 0.00 -1.02 0.00 0.00 32.46 26.16 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 -1.85 0.80 3.62 -0.13 0.00 -0.70 -5.00 105.19 101.93 3g3a n GLY 22 Ca 0.03 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.86 3.27 0.58 1.61 2.02 -0.84 -4.84 117.35 117.29 3g3a s TYR 23 Ca 0.00 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.87 3g3a s TYR 23 Cb 0.00 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 3g3a s TYR 23 CO 0.00 -0.15 1.34 0.45 -1.57 0.00 0.00 175.55 175.62 3g3a s SER 24 N 1.51 5.03 0.25 2.29 0.15 -1.26 0.77 113.70 122.43 3g3a s SER 24 Ca 0.14 2.74 -0.07 0.00 0.70 0.00 0.00 55.95 59.45 3g3a s SER 24 Cb -0.15 -2.63 0.44 0.00 -1.71 0.00 0.00 66.02 61.97 3g3a s SER 24 CO 0.09 -1.73 1.63 0.25 1.20 0.00 0.00 173.24 174.68 3g3a h LEU 25 N 1.15 -0.36 -1.42 3.45 5.85 -1.89 -1.80 115.31 120.29 3g3a h LEU 25 Ca -0.51 0.20 0.20 0.00 0.84 0.00 0.00 57.88 58.61 3g3a h LEU 25 Cb 1.31 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.62 3g3a h LEU 25 CO 0.56 -0.19 0.60 1.23 -0.34 0.00 0.00 178.44 180.31 3g3a h GLY 26 N 0.10 1.03 0.48 3.75 0.00 -1.92 -1.62 103.07 104.90 3g3a h GLY 26 Ca 0.42 -0.22 0.09 0.00 0.00 0.00 0.00 47.33 47.62 3g3a h GLY 26 CO -0.68 -0.01 0.40 3.43 0.00 0.00 0.00 176.54 179.68 3g3a h ASN 27 N 0.48 0.54 -0.21 0.19 4.21 -1.53 -0.10 115.58 119.15 3g3a h ASN 27 Ca 0.49 0.06 -0.11 0.00 1.21 0.00 0.00 56.30 57.95 3g3a h ASN 27 Cb 1.12 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 3g3a h ASN 27 CO -0.21 0.30 -0.30 -0.50 -1.29 0.00 0.00 177.43 175.44 3g3a h TRP 28 N 0.67 0.70 -0.34 1.19 4.06 -1.40 -0.97 115.95 119.86 3g3a h TRP 28 Ca 0.37 -0.23 -0.00 0.00 2.06 0.00 0.00 58.89 61.08 3g3a h TRP 28 Cb 0.37 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3g3a h TRP 28 CO -0.09 0.95 0.20 0.28 -3.56 0.00 0.00 178.44 176.22 3g3a h VAL 29 N 0.25 1.12 -0.52 1.49 2.07 -1.36 -1.83 116.25 117.47 3g3a h VAL 29 Ca 0.02 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3g3a h VAL 29 Cb 0.87 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3g3a h VAL 29 CO 0.07 0.12 0.31 0.00 0.02 0.00 0.00 177.57 178.09 3g3a h ALA 31 N 1.24 0.03 -0.67 0.00 0.00 -1.14 -1.71 119.26 117.01 3g3a h ALA 31 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3g3a h ALA 31 Cb 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3g3a h ALA 31 CO -0.10 -0.50 0.33 0.00 0.00 0.00 0.00 179.25 178.98 3g3a h ALA 32 N 1.05 1.34 -0.74 0.00 0.00 -1.24 -0.54 119.26 119.11 3g3a h ALA 32 Ca 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3g3a h ALA 32 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3g3a h ALA 32 CO -0.07 0.53 0.47 -0.22 0.00 0.00 0.00 179.25 179.96 3g3a h LYS 33 N 0.94 0.88 0.00 0.00 1.63 -0.63 -2.18 116.57 117.21 3g3a h LYS 33 Ca 0.23 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.78 3g3a h LYS 33 Cb 0.07 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3g3a h LYS 33 CO -0.03 0.58 -0.94 0.74 -3.45 0.00 0.00 179.45 176.35 3g3a h PHE 34 N 0.91 0.00 0.06 1.91 0.04 -0.70 -1.41 116.94 117.76 3g3a h PHE 34 Ca 0.30 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.79 3g3a h PHE 34 Cb 0.03 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.21 3g3a h PHE 34 CO -0.04 0.94 -1.15 0.93 -0.60 0.00 0.00 178.31 178.40 3g3a h GLU 35 N 0.00 0.66 0.00 1.51 4.39 -1.08 -3.43 114.58 116.64 3g3a h GLU 35 Ca -0.01 -0.80 0.00 0.00 0.34 0.00 0.00 59.36 58.89 3g3a h GLU 35 Cb 1.72 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 3g3a h GLU 35 CO 0.12 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.20 3g3a n SER 36 N -3.83 0.07 -3.69 1.42 3.41 -0.83 -4.84 113.62 105.33 3g3a n SER 36 Ca -0.13 -1.01 -0.28 0.00 -0.26 0.00 0.00 58.87 57.20 3g3a n SER 36 Cb 0.94 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.00 -3.63 -1.12 4.04 2.85 -0.53 -1.14 115.26 115.73 3g3a n ASN 37 Ca 0.00 -0.62 -0.13 0.00 -0.11 0.00 0.00 54.58 53.72 3g3a n ASN 37 Cb 0.26 -2.98 -0.05 0.00 1.24 0.00 0.00 39.78 38.24 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 -4.12 -0.11 -2.99 1.20 3.72 -1.20 -4.83 117.46 109.13 3g3a n PHE 38 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 3g3a n PHE 38 Cb 0.52 -2.51 -0.05 0.00 -0.94 0.00 0.00 39.48 36.50 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 -2.78 6.27 0.37 4.37 3.84 -0.29 -1.91 114.94 124.82 3g3a s ASN 39 Ca 0.00 -0.67 0.11 0.00 0.21 0.00 0.00 52.86 52.51 3g3a s ASN 39 Cb 0.00 -2.37 0.89 0.00 -0.55 0.00 0.00 41.25 39.23 3g3a s ASN 39 CO 0.00 -1.09 1.86 0.71 -2.79 0.00 0.00 177.10 175.79 3g3a h THR 40 N 5.95 0.79 -0.08 -5.21 1.35 -1.61 -1.54 112.91 112.55 3g3a h THR 40 Ca -0.27 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3g3a h THR 40 Cb 1.08 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3g3a h THR 40 CO 1.04 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 176.42 3g3a n GLN 41 N -4.56 1.28 -1.74 4.72 6.02 -1.26 -3.55 117.38 118.29 3g3a n GLN 41 Ca 0.18 -0.42 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 3g3a n GLN 41 Cb 0.53 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.30 2.54 -2.76 -1.58 0.00 -0.58 -4.80 120.51 113.04 3g3a n ALA 42 Ca 0.11 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 3g3a n ALA 42 Cb 0.14 -2.46 -0.13 0.00 0.00 0.00 0.00 19.45 16.99 3g3a n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g3a s THR 43 N 0.12 0.60 -0.07 0.00 -4.23 -1.26 -0.60 115.64 110.20 3g3a s THR 43 Ca 0.65 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3g3a s THR 43 Cb -0.50 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 72.80 3g3a s THR 43 CO 0.47 -0.04 0.04 0.21 -0.54 0.00 0.00 174.62 174.75 3g3a s ASN 44 N -0.75 1.47 -0.04 3.99 2.47 0.63 -4.94 114.94 117.79 3g3a s ASN 44 Ca -0.02 -0.07 -0.30 0.00 0.42 0.00 0.00 52.86 52.89 3g3a s ASN 44 Cb -0.06 -0.29 -0.04 0.00 -1.45 0.00 0.00 41.25 39.42 3g3a s ASN 44 CO 0.00 -0.24 1.26 -0.13 -3.72 0.00 0.00 177.10 174.28 3g3a s ARG 45 N 2.07 4.33 0.32 0.43 1.81 -1.26 0.03 118.95 126.68 3g3a s ARG 45 Ca 0.05 1.76 0.00 0.00 -1.72 0.00 0.00 55.73 55.82 3g3a s ARG 45 Cb -0.13 -3.57 -0.03 0.00 -0.45 0.00 0.00 34.95 30.77 3g3a s ARG 45 CO -0.05 -0.49 0.52 -0.80 -0.68 0.00 0.00 175.30 173.80 3g3a s ASN 46 N 1.61 6.32 0.47 0.23 -0.87 0.84 -4.95 114.94 118.58 3g3a s ASN 46 Ca 0.58 0.43 0.17 0.00 -1.57 0.00 0.00 52.86 52.47 3g3a s ASN 46 Cb -0.27 -2.02 1.11 0.00 -0.02 0.00 0.00 41.25 40.05 3g3a s ASN 46 CO 0.23 -0.25 2.03 0.71 -2.57 0.00 0.00 177.10 177.25 3g3a h THR 47 N 0.90 1.03 0.00 1.60 1.35 -1.96 -2.85 112.91 112.98 3g3a h THR 47 Ca -0.50 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 3g3a h THR 47 Cb 1.21 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3g3a h THR 47 CO 0.62 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 3g3a n ASP 48 N -4.25 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 117.29 3g3a n ASP 48 Ca -0.02 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 3g3a n ASP 48 Cb 0.22 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.14 0.86 3.97 6.12 0.00 -1.08 -4.96 105.19 110.24 3g3a n GLY 49 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.98 3.61 -0.12 1.61 1.04 -1.26 -4.41 113.70 111.20 3g3a s SER 50 Ca 0.00 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.20 3g3a s SER 50 Cb 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.13 3g3a s SER 50 CO 0.00 -2.38 0.30 -0.89 0.98 0.00 0.00 173.24 171.26 3g3a s THR 51 N -3.54 -0.01 0.06 2.02 2.01 -1.26 -0.11 115.64 114.82 3g3a s THR 51 Ca 0.71 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 3g3a s THR 51 Cb -0.04 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 3g3a s THR 51 CO 0.49 0.01 0.59 -1.81 -0.69 0.00 0.00 174.62 173.21 3g3a s ASP 52 N 0.37 7.07 -0.07 3.53 1.01 0.10 -1.13 116.67 127.55 3g3a s ASP 52 Ca -0.02 1.27 0.01 0.00 0.71 0.00 0.00 52.55 54.52 3g3a s ASP 52 Cb -0.03 -2.37 0.02 0.00 1.01 0.00 0.00 42.92 41.54 3g3a s ASP 52 CO -0.02 0.23 -0.09 -0.31 0.21 0.00 0.00 175.17 175.20 3g3a s TYR 53 N -0.92 1.27 0.00 4.23 2.02 -0.38 -0.26 117.35 123.31 3g3a s TYR 53 Ca 0.30 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3g3a s TYR 53 Cb -0.19 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3g3a s TYR 53 CO 0.19 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 3g3a n GLY 54 N 4.24 -2.05 0.32 0.71 0.00 0.23 -2.05 105.19 106.59 3g3a n GLY 54 Ca -0.20 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 0.78 -0.18 -0.61 3.07 -1.71 -2.45 117.51 116.41 3g3a h ILE 55 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3g3a h ILE 55 Cb 0.00 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.42 3g3a h ILE 55 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 3g3a n LEU 56 N -4.31 2.77 -3.68 0.16 4.77 -1.26 -3.92 117.00 111.52 3g3a n LEU 56 Ca 0.03 -2.36 -0.25 0.00 -0.03 0.00 0.00 56.01 53.39 3g3a n LEU 56 Cb 0.32 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3g3a n LEU 56 CO 0.34 0.65 -0.09 0.00 -1.33 0.00 0.00 177.39 176.96 3g3a n GLN 57 N -0.26 -2.86 -2.50 3.23 1.13 -0.92 -4.93 117.38 110.25 3g3a n GLN 57 Ca 0.11 0.55 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 3g3a n GLN 57 Cb 0.50 -4.71 -0.03 0.00 0.11 0.00 0.00 30.24 26.11 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 -3.60 4.27 0.01 5.09 -1.09 -0.87 -4.44 121.20 120.57 3g3a s ILE 58 Ca 0.24 1.63 -0.24 0.00 -2.23 0.00 0.00 60.65 60.05 3g3a s ILE 58 Cb -0.08 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3g3a s ILE 58 CO 0.84 0.12 0.73 0.21 -1.23 0.00 0.00 174.94 175.60 3g3a s ASN 59 N 1.07 7.13 0.00 3.58 3.84 -1.26 -1.25 114.94 128.05 3g3a s ASN 59 Ca 0.57 1.35 0.13 0.00 0.21 0.00 0.00 52.86 55.12 3g3a s ASN 59 Cb -0.27 -2.44 0.60 0.00 -0.55 0.00 0.00 41.25 38.59 3g3a s ASN 59 CO 0.28 0.00 1.40 -1.54 -2.79 0.00 0.00 177.10 174.45 3g3a n SER 60 N 2.99 0.00 -0.16 -4.21 3.41 -0.28 -2.26 113.62 113.11 3g3a n SER 60 Ca -0.03 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 3g3a n SER 60 Cb 0.51 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.00 0.80 0.00 4.33 9.65 -1.81 -3.38 114.38 123.97 3g3a h ARG 61 Ca 0.00 -0.25 -0.11 0.00 -1.10 0.00 0.00 59.98 58.53 3g3a h ARG 61 Cb 0.19 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3g3a h ARG 61 CO 0.00 0.85 -1.40 0.91 2.80 0.00 0.00 179.97 183.13 3g3a n TRP 62 N -4.39 0.00 -0.06 2.20 7.02 -1.22 0.20 117.44 121.20 3g3a n TRP 62 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3g3a n TRP 62 Cb 0.29 -0.29 -0.07 0.00 -2.42 0.00 0.00 31.31 28.83 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 -2.24 0.00 -4.19 -5.99 7.02 -0.96 0.08 117.44 111.17 3g3a n TRP 63 Ca -0.10 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.27 3g3a n TRP 63 Cb 0.69 -0.51 -0.10 0.00 -2.42 0.00 0.00 31.31 28.97 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 -3.08 5.81 0.00 0.00 2.47 -0.92 -4.54 114.94 114.68 3g3a s ASN 65 Ca 0.18 0.10 0.02 0.00 0.42 0.00 0.00 52.86 53.58 3g3a s ASN 65 Cb 0.06 -2.02 0.01 0.00 -1.45 0.00 0.00 41.25 37.86 3g3a s ASN 65 CO -0.01 0.14 0.55 -0.90 -3.72 0.00 0.00 177.10 173.16 3g3a n ASP 66 N 3.79 1.14 -1.31 -4.21 5.68 -1.26 -0.40 116.55 119.97 3g3a n ASP 66 Ca -0.16 -1.07 -0.17 0.00 -0.50 0.00 0.00 54.79 52.89 3g3a n ASP 66 Cb 0.52 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.13 1.62 0.47 6.12 0.00 -1.26 -4.81 105.19 107.47 3g3a n GLY 67 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.51 0.00 -3.82 1.61 1.85 -1.26 -5.01 116.66 107.52 3g3a n ARG 68 Ca -0.17 -0.73 -0.34 0.00 -1.00 0.00 0.00 57.85 55.61 3g3a n ARG 68 Cb 0.56 -0.37 -0.12 0.00 -1.05 0.00 0.00 32.46 31.48 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 3.19 0.11 8.89 2.01 -1.26 -4.82 115.64 123.75 3g3a s THR 69 Ca 0.00 -2.89 -0.36 0.00 0.31 0.00 0.00 61.69 58.75 3g3a s THR 69 Cb 0.00 -3.15 -0.16 0.00 0.01 0.00 0.00 72.50 69.20 3g3a s THR 69 CO 0.00 -0.80 1.31 -2.65 -0.69 0.00 0.00 174.62 171.79 3g3a n PRO 70 N 3.59 1.19 -0.56 4.92 -0.02 -1.26 -2.67 135.00 140.18 3g3a n PRO 70 Ca 0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3g3a n PRO 70 Cb 0.37 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3g3a n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3a n GLY 71 N 2.45 0.75 3.95 -1.23 0.00 -1.26 -5.00 105.19 104.84 3g3a n GLY 71 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.45 5.25 0.41 1.61 1.04 -1.09 -5.08 113.70 113.40 3g3a s SER 72 Ca 0.00 0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.81 3g3a s SER 72 Cb 0.00 -1.18 -0.05 0.00 0.10 0.00 0.00 66.02 64.89 3g3a s SER 72 CO 0.00 -1.22 0.21 -0.13 0.98 0.00 0.00 173.24 173.08 3g3a s ARG 73 N -4.93 2.28 -0.45 4.02 1.81 0.13 -5.00 118.95 116.82 3g3a s ARG 73 Ca 0.56 -1.77 0.08 0.00 -1.72 0.00 0.00 55.73 52.89 3g3a s ARG 73 Cb -0.10 -2.06 0.28 0.00 -0.45 0.00 0.00 34.95 32.62 3g3a s ARG 73 CO 0.42 -0.11 0.65 -1.71 -0.68 0.00 0.00 175.30 173.87 3g3a n ASN 74 N -1.28 1.35 0.23 0.23 5.15 -1.19 -3.41 115.26 116.34 3g3a n ASN 74 Ca -0.00 -2.99 0.06 0.00 -0.60 0.00 0.00 54.58 51.04 3g3a n ASN 74 Cb 0.64 -0.63 0.52 0.00 -0.53 0.00 0.00 39.78 39.78 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 3.69 0.01 -0.29 1.20 3.38 -0.26 -0.59 115.31 122.46 3g3a h LEU 75 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g3a h LEU 75 Cb 0.83 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3g3a h LEU 75 CO 0.57 0.15 0.00 0.00 0.09 0.00 0.00 178.44 179.25 3g3a n ASN 77 N -2.14 -2.05 -3.88 0.00 5.15 -0.23 -4.98 115.26 107.12 3g3a n ASN 77 Ca 0.04 -0.73 -0.11 0.00 -0.60 0.00 0.00 54.58 53.18 3g3a n ASN 77 Cb 0.32 -4.59 -0.12 0.00 -0.53 0.00 0.00 39.78 34.86 3g3a n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3g3a s ILE 78 N -3.51 0.04 0.46 -1.44 1.10 -1.26 -5.08 121.20 111.51 3g3a s ILE 78 Ca 0.05 -0.33 -0.22 0.00 -0.51 0.00 0.00 60.65 59.64 3g3a s ILE 78 Cb -0.01 -0.19 -0.08 0.00 0.15 0.00 0.00 42.46 42.33 3g3a s ILE 78 CO 0.77 -0.18 1.07 -2.84 -2.11 0.00 0.00 174.94 171.65 3g3a s PRO 79 N -0.55 3.88 0.46 3.50 0.02 -1.26 -2.17 135.00 138.87 3g3a s PRO 79 Ca -0.06 1.50 0.13 0.00 0.02 0.00 0.00 61.00 62.59 3g3a s PRO 79 Cb -0.04 -2.29 1.05 0.00 0.02 0.00 0.00 34.50 33.24 3g3a s PRO 79 CO 0.00 -0.39 2.06 0.00 -0.33 0.00 0.00 177.00 178.34 3g3a h SER 81 N 0.15 0.00 -0.43 0.00 4.64 -1.92 -1.07 113.55 114.92 3g3a h SER 81 Ca 0.04 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.48 3g3a h SER 81 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3g3a h SER 81 CO 0.00 0.28 0.31 0.00 -0.87 0.00 0.00 176.83 176.55 3g3a h ALA 82 N 1.72 2.40 0.00 5.18 0.00 -1.76 -1.87 119.26 124.92 3g3a h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g3a h ALA 82 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3g3a h ALA 82 CO 0.04 -0.52 0.00 1.28 0.00 0.00 0.00 179.25 180.05 3g3a n LEU 83 N -4.41 0.20 -1.00 0.00 4.77 -0.41 -2.75 117.00 113.40 3g3a n LEU 83 Ca 0.07 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 3g3a n LEU 83 Cb 0.50 -0.51 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 3g3a n LEU 83 CO 0.36 -0.28 0.66 0.18 -1.33 0.00 0.00 177.39 176.98 3g3a n LEU 84 N -1.72 3.21 -4.79 2.23 4.32 -0.70 -3.99 117.00 115.56 3g3a n LEU 84 Ca 0.04 -1.51 -0.36 0.00 -0.02 0.00 0.00 56.01 54.17 3g3a n LEU 84 Cb 0.22 -0.22 -0.04 0.00 -1.62 0.00 0.00 43.42 41.77 3g3a n LEU 84 CO 0.18 0.70 0.73 -0.55 -1.22 0.00 0.00 177.39 177.23 3g3a s SER 85 N -1.35 6.61 0.52 -1.43 0.15 -1.11 -4.22 113.70 112.87 3g3a s SER 85 Ca 0.33 2.01 0.31 0.00 0.70 0.00 0.00 55.95 59.30 3g3a s SER 85 Cb 0.20 -2.58 1.29 0.00 -1.71 0.00 0.00 66.02 63.21 3g3a s SER 85 CO 0.27 -0.60 1.96 0.77 1.20 0.00 0.00 173.24 176.85 3g3a h SER 86 N 2.18 0.00 -3.12 5.45 4.64 -1.94 -3.37 113.55 117.39 3g3a h SER 86 Ca -0.49 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.27 3g3a h SER 86 Cb 1.22 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.22 3g3a h SER 86 CO 0.61 0.08 0.87 -0.62 -0.87 0.00 0.00 176.83 176.91 3g3a s ASP 87 N -5.87 6.39 0.00 4.97 -1.08 -1.26 -4.94 116.67 114.89 3g3a s ASP 87 Ca 0.00 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 52.05 3g3a s ASP 87 Cb 0.10 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.48 3g3a s ASP 87 CO 0.57 -1.45 1.06 -0.38 0.52 0.00 0.00 175.17 175.49 3g3a n ILE 88 N 6.52 0.53 -0.00 4.11 2.08 -1.26 -4.29 119.36 127.05 3g3a n ILE 88 Ca 0.06 0.13 -0.10 0.00 0.56 0.00 0.00 62.75 63.41 3g3a n ILE 88 Cb 0.49 -1.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.34 3g3a n ILE 88 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3g3a h THR 89 N 0.00 0.41 -0.39 1.39 2.02 -1.92 -0.77 112.91 113.65 3g3a h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3g3a h THR 89 Cb 0.05 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3g3a h THR 89 CO 0.00 0.00 0.22 0.00 0.37 0.00 0.00 175.52 176.11 3g3a h ALA 90 N 0.64 0.50 -0.54 6.16 0.00 -1.84 0.38 119.26 124.56 3g3a h ALA 90 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3g3a h ALA 90 Cb 0.46 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3g3a h ALA 90 CO -0.31 0.01 0.16 0.77 0.00 0.00 0.00 179.25 179.88 3g3a h SER 91 N 0.51 0.12 -0.38 0.00 0.02 -1.73 -0.61 113.55 111.49 3g3a h SER 91 Ca 0.14 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3g3a h SER 91 Cb 0.03 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3g3a h SER 91 CO -0.02 0.09 -0.14 0.58 -1.14 0.00 0.00 176.83 176.20 3g3a h VAL 92 N 0.32 1.26 -0.20 2.27 2.07 -0.59 -1.18 116.25 120.21 3g3a h VAL 92 Ca 0.27 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 3g3a h VAL 92 Cb 0.34 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3g3a h VAL 92 CO -0.31 0.42 -0.10 0.78 0.02 0.00 0.00 177.57 178.39 3g3a h ASN 93 N 0.75 0.42 -0.34 0.57 -0.26 0.09 -2.54 115.58 114.27 3g3a h ASN 93 Ca 0.12 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3g3a h ASN 93 Cb 0.64 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 3g3a h ASN 93 CO 0.04 0.74 0.21 0.00 -1.06 0.00 0.00 177.43 177.37 3g3a h ALA 95 N 1.09 1.44 -0.37 0.00 0.00 -1.19 0.40 119.26 120.63 3g3a h ALA 95 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3g3a h ALA 95 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3g3a h ALA 95 CO -0.02 0.23 -0.13 0.87 0.00 0.00 0.00 179.25 180.20 3g3a h LYS 96 N 0.98 0.66 -0.65 0.00 1.57 -1.43 -0.78 116.57 116.92 3g3a h LYS 96 Ca 0.47 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3g3a h LYS 96 Cb 0.43 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3g3a h LYS 96 CO -0.25 0.76 0.31 -0.22 -0.57 0.00 0.00 179.45 179.49 3g3a h LYS 97 N 0.60 0.93 -0.49 3.15 3.64 -1.11 -2.72 116.57 120.56 3g3a h LYS 97 Ca 0.10 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3g3a h LYS 97 Cb 0.57 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3g3a h LYS 97 CO 0.04 0.74 0.13 0.82 -2.27 0.00 0.00 179.45 178.90 3g3a h ILE 98 N 0.89 1.24 -0.22 2.00 2.04 -0.53 -3.22 117.51 119.71 3g3a h ILE 98 Ca 0.22 -0.83 -0.20 0.00 1.00 0.00 0.00 64.86 65.06 3g3a h ILE 98 Cb 0.11 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3g3a h ILE 98 CO -0.03 0.30 -0.63 0.58 0.00 0.00 0.00 178.15 178.37 3g3a h VAL 99 N 0.67 1.28 0.00 1.67 2.07 -1.16 -3.44 116.25 117.35 3g3a h VAL 99 Ca 0.16 -1.83 -0.65 0.00 0.82 0.00 0.00 66.70 65.20 3g3a h VAL 99 Cb 0.32 1.83 0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3g3a h VAL 99 CO 0.00 0.59 3.73 -1.54 0.02 0.00 0.00 177.57 180.36 3g3a n SER 100 N -4.01 8.24 0.00 0.57 3.41 -1.03 -4.62 113.62 116.18 3g3a n SER 100 Ca -0.06 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 3g3a n SER 100 Cb 0.67 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 3g3a n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g3a n GLY 104 N 3.62 3.32 0.02 5.00 0.00 -1.26 -4.95 105.19 110.93 3g3a n GLY 104 Ca 0.75 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 0.03 0.30 1.61 0.00 -1.26 -3.44 117.12 114.36 3g3a n MET 105 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 57.70 57.87 3g3a n MET 105 Cb 0.00 -1.54 0.48 0.00 0.00 0.00 0.00 33.22 32.15 3g3a n MET 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3g3a h ASN 106 N 0.00 0.00 0.43 7.83 2.35 -2.00 -0.02 115.58 124.18 3g3a h ASN 106 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3g3a h ASN 106 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3g3a h ASN 106 CO 0.00 0.00 -0.34 0.00 -1.65 0.00 0.00 177.43 175.44 3g3a h ALA 107 N 0.87 1.32 -1.52 -0.83 0.00 -1.97 -3.37 119.26 113.76 3g3a h ALA 107 Ca 0.00 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 54.02 3g3a h ALA 107 Cb 1.07 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 3g3a h ALA 107 CO 0.00 0.42 0.82 -1.58 0.00 0.00 0.00 179.25 178.91 3g3a s TRP 108 N -4.12 2.48 0.24 0.00 0.51 -0.02 -4.93 118.94 113.10 3g3a s TRP 108 Ca -0.02 -0.21 -0.06 0.00 -2.12 0.00 0.00 56.10 53.69 3g3a s TRP 108 Cb 0.14 -4.46 0.24 0.00 -0.81 0.00 0.00 33.47 28.58 3g3a s TRP 108 CO 0.70 -1.84 1.88 0.28 -0.51 0.00 0.00 176.95 177.46 3g3a h VAL 109 N 6.02 1.26 -0.22 4.03 2.07 -1.85 -1.76 116.25 125.79 3g3a h VAL 109 Ca -0.28 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3g3a h VAL 109 Cb 1.06 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3g3a h VAL 109 CO 1.22 0.28 0.05 0.00 0.02 0.00 0.00 177.57 179.14 3g3a h ALA 110 N 1.31 0.29 -0.56 1.67 0.00 -1.95 -2.50 119.26 117.52 3g3a h ALA 110 Ca 0.33 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3g3a h ALA 110 Cb -0.02 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.58 3g3a h ALA 110 CO -0.06 -0.06 -0.20 2.35 0.00 0.00 0.00 179.25 181.29 3g3a h TRP 111 N 0.17 -0.47 -0.87 0.00 7.01 -1.85 -0.10 115.95 119.84 3g3a h TRP 111 Ca 0.07 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.21 3g3a h TRP 111 Cb 0.29 0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.58 3g3a h TRP 111 CO 0.01 -0.29 0.56 -0.09 -2.79 0.00 0.00 178.44 175.85 3g3a h ARG 112 N -0.06 0.87 0.00 2.65 2.43 -1.07 0.10 114.38 119.31 3g3a h ARG 112 Ca 0.26 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.18 3g3a h ARG 112 Cb 0.47 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3g3a h ARG 112 CO -0.61 0.58 -1.56 0.09 -1.51 0.00 0.00 179.97 176.96 3g3a n ASN 113 N -4.51 0.79 -0.01 -3.80 5.03 -0.96 -4.26 115.26 107.54 3g3a n ASN 113 Ca 0.14 0.36 0.01 0.00 0.87 0.00 0.00 54.58 55.95 3g3a n ASN 113 Cb 0.27 0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 39.19 3g3a n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3g3a n ARG 114 N -2.90 1.44 -0.01 3.52 5.12 -0.06 -4.90 116.66 118.87 3g3a n ARG 114 Ca -0.13 -0.03 -0.05 0.00 -1.93 0.00 0.00 57.85 55.71 3g3a n ARG 114 Cb 0.90 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 31.06 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 -3.46 1.64 0.00 0.00 4.81 0.00 -2.09 118.16 119.06 3g3a n LYS 116 Ca -0.09 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3g3a n LYS 116 Cb 0.41 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 3.55 3.09 2.98 3.14 0.00 -1.26 -4.89 105.19 111.80 3g3a n GLY 117 Ca 0.21 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 3g3a n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g3a n THR 118 N 0.00 0.00 -1.91 2.61 -2.24 -0.89 -4.86 114.28 106.99 3g3a n THR 118 Ca 0.00 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3g3a n THR 118 Cb 0.00 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.24 3g3a n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g3a n ASP 119 N -5.41 3.95 0.33 3.42 2.03 -1.26 -4.72 116.55 114.89 3g3a n ASP 119 Ca 0.13 -2.83 0.22 0.00 0.52 0.00 0.00 54.79 52.82 3g3a n ASP 119 Cb 0.55 -1.62 1.11 0.00 -0.72 0.00 0.00 41.12 40.44 3g3a n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3g3a h VAL 120 N 4.63 0.01 -0.02 5.18 -1.51 -1.89 -0.80 116.25 121.84 3g3a h VAL 120 Ca 0.50 -0.11 0.01 0.00 -1.23 0.00 0.00 66.70 65.87 3g3a h VAL 120 Cb 0.73 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 3g3a h VAL 120 CO 1.74 0.00 0.02 -0.61 -1.23 0.00 0.00 177.57 177.49 3g3a h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.90 -1.57 115.11 120.97 3g3a h GLN 121 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3g3a h GLN 121 Cb 0.11 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3g3a h GLN 121 CO 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.89 3g3a h ALA 122 N 1.99 1.13 0.00 3.38 0.00 -1.54 -2.02 119.26 122.19 3g3a h ALA 122 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g3a h ALA 122 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g3a h ALA 122 CO -0.00 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 3g3a n TRP 123 N -3.28 0.67 -0.74 0.00 7.02 -0.59 -2.93 117.44 117.59 3g3a n TRP 123 Ca -0.03 0.25 0.07 0.00 -1.02 0.00 0.00 57.50 56.77 3g3a n TRP 123 Cb 0.10 -0.90 0.13 0.00 -2.42 0.00 0.00 31.31 28.21 3g3a n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3g3a n ILE 124 N -2.10 1.68 -1.69 -0.99 -5.35 -0.77 -4.85 119.36 105.28 3g3a n ILE 124 Ca 0.03 -1.82 -0.44 0.00 -0.27 0.00 0.00 62.75 60.26 3g3a n ILE 124 Cb 0.26 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.11 3g3a n ILE 124 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3g3a n ARG 125 N -0.94 2.54 -1.68 6.28 1.74 -1.15 -3.31 116.66 120.14 3g3a n ARG 125 Ca 0.13 0.92 -0.09 0.00 -0.77 0.00 0.00 57.85 58.04 3g3a n ARG 125 Cb 0.57 -2.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.24 3g3a n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3a n GLY 126 N 3.85 0.56 0.79 -0.13 0.00 -1.26 -5.03 105.19 103.98 3g3a n GLY 126 Ca 0.17 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.73 3g3a n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32