#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 4.96 0.44 3.15 1.01 -1.26 -1.24 120.40 127.46 3g3a s VAL 2 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 3g3a s VAL 2 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 3g3a s VAL 2 CO 0.00 -0.26 1.18 -0.36 0.00 0.00 0.00 175.10 175.66 3g3a s PHE 3 N 2.52 2.90 0.66 5.22 0.08 -0.55 -4.97 117.98 123.84 3g3a s PHE 3 Ca 0.21 1.53 -0.14 0.00 0.12 0.00 0.00 56.93 58.65 3g3a s PHE 3 Cb -0.15 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 3g3a s PHE 3 CO 0.14 -1.55 1.09 0.20 -0.10 0.00 0.00 175.22 175.00 3g3a s GLY 4 N -1.24 2.00 0.14 4.36 0.00 -1.26 -4.81 107.32 106.51 3g3a s GLY 4 Ca 0.62 0.39 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 3g3a s GLY 4 CO 0.37 0.73 1.60 -0.09 0.00 0.00 0.00 173.10 175.71 3g3a h ARG 5 N -0.15 -0.35 -0.48 2.90 2.43 -1.97 0.69 114.38 117.44 3g3a h ARG 5 Ca -0.46 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.60 3g3a h ARG 5 Cb 1.23 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3g3a h ARG 5 CO 0.55 -0.24 -0.22 0.00 -1.51 0.00 0.00 179.97 178.56 3g3a h GLU 7 N 0.86 0.55 -0.01 0.00 4.81 -1.92 -1.92 114.58 116.94 3g3a h GLU 7 Ca 0.11 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.07 3g3a h GLU 7 Cb 0.80 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 30.07 3g3a h GLU 7 CO 0.07 0.37 -0.90 1.25 -0.73 0.00 0.00 179.01 179.06 3g3a h LEU 8 N 0.57 0.81 -0.65 1.64 5.85 -0.26 -2.64 115.31 120.64 3g3a h LEU 8 Ca 0.37 -0.73 0.14 0.00 0.84 0.00 0.00 57.88 58.49 3g3a h LEU 8 Cb 0.44 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 3g3a h LEU 8 CO -0.30 1.44 -0.02 0.00 -0.34 0.00 0.00 178.44 179.22 3g3a h ALA 9 N 0.39 0.61 -0.64 1.25 0.00 -0.98 0.39 119.26 120.28 3g3a h ALA 9 Ca -0.11 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3g3a h ALA 9 Cb 1.57 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 3g3a h ALA 9 CO 0.18 -0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.30 3g3a h ALA 10 N 1.60 0.83 -0.31 0.00 0.00 -1.30 -0.95 119.26 119.12 3g3a h ALA 10 Ca 0.34 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3g3a h ALA 10 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g3a h ALA 10 CO -0.57 0.43 -0.33 0.00 0.00 0.00 0.00 179.25 178.77 3g3a h ALA 11 N 1.11 0.46 -0.20 0.00 0.00 -1.08 -0.89 119.26 118.67 3g3a h ALA 11 Ca 0.22 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3g3a h ALA 11 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g3a h ALA 11 CO -0.02 0.52 -0.21 0.52 0.00 0.00 0.00 179.25 180.05 3g3a h MET 12 N 0.54 0.36 -0.17 0.00 2.86 -0.79 -0.35 114.93 117.37 3g3a h MET 12 Ca 0.05 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3g3a h MET 12 Cb 0.92 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 3g3a h MET 12 CO 0.08 0.56 -0.07 -0.22 1.06 0.00 0.00 176.91 178.32 3g3a h LYS 13 N 0.32 0.35 -0.66 1.72 3.64 -1.09 -0.76 116.57 120.10 3g3a h LYS 13 Ca 0.05 -0.15 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3g3a h LYS 13 Cb 0.56 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3g3a h LYS 13 CO 0.04 0.65 0.43 -0.09 -2.27 0.00 0.00 179.45 178.21 3g3a h ARG 14 N 0.04 0.53 -0.00 1.90 2.43 -0.70 -0.88 114.38 117.70 3g3a h ARG 14 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3g3a h ARG 14 Cb 0.53 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3g3a h ARG 14 CO 0.02 0.35 -0.02 0.72 -1.51 0.00 0.00 179.97 179.53 3g3a n HIS 15 N -4.48 0.00 -0.62 2.20 8.25 -0.18 -4.93 115.22 115.46 3g3a n HIS 15 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3g3a n HIS 15 Cb 0.32 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 1.15 0.79 0.18 -1.41 0.00 -0.34 -4.97 105.19 100.58 3g3a n GLY 16 Ca 0.19 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -9.17 0.99 3.38 -1.34 -3.39 115.31 105.78 3g3a h LEU 17 Ca 0.00 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3g3a h LEU 17 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3g3a h LEU 17 CO 0.00 0.01 1.17 -0.62 0.09 0.00 0.00 178.44 179.09 3g3a s ASP 18 N -5.66 6.39 -1.45 -0.43 2.15 -1.26 -1.53 116.67 114.88 3g3a s ASP 18 Ca 0.07 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.09 3g3a s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3g3a s ASP 18 CO 0.67 -1.18 0.00 -3.20 -0.17 0.00 0.00 175.17 171.29 3g3a n ASN 19 N 8.18 -4.81 -4.66 -0.34 5.15 0.11 -4.85 115.26 114.05 3g3a n ASN 19 Ca 0.20 0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.89 3g3a n ASN 19 Cb 0.44 -4.08 -0.03 0.00 -0.53 0.00 0.00 39.78 35.58 3g3a n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3g3a s TYR 20 N -2.77 1.80 -1.26 1.20 5.04 -0.58 -1.22 117.35 119.57 3g3a s TYR 20 Ca 0.00 -0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.58 3g3a s TYR 20 Cb 0.00 -4.03 0.03 0.00 0.35 0.00 0.00 41.96 38.31 3g3a s TYR 20 CO 0.00 -4.42 0.30 0.54 -1.34 0.00 0.00 175.55 170.63 3g3a n ARG 21 N 7.08 -3.12 -0.99 4.97 5.12 -1.26 -2.05 116.66 126.40 3g3a n ARG 21 Ca 0.18 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 3g3a n ARG 21 Cb 0.42 -5.31 0.00 0.00 -1.16 0.00 0.00 32.46 26.41 3g3a n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3a n GLY 22 N -1.08 0.61 3.62 -0.13 0.00 -0.36 -5.03 105.19 102.83 3g3a n GLY 22 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 3.27 0.40 1.61 2.02 -0.87 -4.87 117.35 116.47 3g3a s TYR 23 Ca 0.00 0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 56.76 3g3a s TYR 23 Cb 0.00 -2.44 -0.11 0.00 -0.40 0.00 0.00 41.96 39.01 3g3a s TYR 23 CO 0.00 -0.11 0.95 0.43 -1.57 0.00 0.00 175.55 175.25 3g3a n SER 24 N 4.90 1.01 -0.29 2.29 7.64 -1.26 0.09 113.62 128.00 3g3a n SER 24 Ca -0.12 1.04 -0.02 0.00 1.01 0.00 0.00 58.87 60.78 3g3a n SER 24 Cb 0.51 -1.31 0.03 0.00 -1.01 0.00 0.00 64.21 62.43 3g3a n SER 24 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3g3a h LEU 25 N 1.52 -1.23 -0.95 -3.43 5.85 -1.89 -1.20 115.31 113.99 3g3a h LEU 25 Ca -0.43 0.26 0.37 0.00 0.84 0.00 0.00 57.88 58.92 3g3a h LEU 25 Cb 1.35 0.64 -0.17 0.00 0.37 0.00 0.00 40.66 42.85 3g3a h LEU 25 CO 0.57 -0.29 0.40 0.61 -0.34 0.00 0.00 178.44 179.38 3g3a n GLY 26 N -1.46 -0.85 0.21 3.75 0.00 -1.26 -1.25 105.19 104.32 3g3a n GLY 26 Ca 0.08 0.81 -0.02 0.00 0.00 0.00 0.00 46.02 46.89 3g3a n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3a h ASN 27 N 0.00 0.13 -0.06 1.61 2.35 -1.44 -0.58 115.58 117.59 3g3a h ASN 27 Ca 0.75 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 56.42 3g3a h ASN 27 Cb 1.91 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.35 3g3a h ASN 27 CO -0.77 0.09 -0.50 -0.50 -1.65 0.00 0.00 177.43 174.10 3g3a h TRP 28 N 0.33 0.77 -0.10 1.19 4.06 -1.28 -0.57 115.95 120.36 3g3a h TRP 28 Ca 0.27 -0.26 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3g3a h TRP 28 Cb 0.33 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3g3a h TRP 28 CO -0.19 1.00 0.04 0.28 -3.56 0.00 0.00 178.44 176.02 3g3a h VAL 29 N 0.49 1.12 -0.71 1.49 2.07 -1.43 -2.06 116.25 117.24 3g3a h VAL 29 Ca 0.02 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3g3a h VAL 29 Cb 1.05 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3g3a h VAL 29 CO 0.10 0.11 0.44 0.00 0.02 0.00 0.00 177.57 178.24 3g3a h ALA 31 N 1.31 0.33 -0.18 0.00 0.00 -1.06 -2.73 119.26 116.92 3g3a h ALA 31 Ca 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3g3a h ALA 31 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3g3a h ALA 31 CO -0.11 -0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.70 3g3a h ALA 32 N 1.13 1.35 0.55 0.00 0.00 -1.11 0.28 119.26 121.46 3g3a h ALA 32 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3g3a h ALA 32 Cb 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g3a h ALA 32 CO -0.07 0.44 -0.26 -0.22 0.00 0.00 0.00 179.25 179.14 3g3a h LYS 33 N 0.29 -0.71 0.00 0.00 1.63 -1.19 -1.15 116.57 115.44 3g3a h LYS 33 Ca 0.05 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3g3a h LYS 33 Cb 0.50 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.28 3g3a h LYS 33 CO 0.03 -0.43 -0.16 0.74 -3.45 0.00 0.00 179.45 176.18 3g3a h PHE 34 N -0.83 0.00 -0.02 1.91 0.04 -1.26 -0.86 116.94 115.93 3g3a h PHE 34 Ca -0.08 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3g3a h PHE 34 Cb 0.60 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.76 3g3a h PHE 34 CO -0.02 0.16 -0.32 0.93 -0.60 0.00 0.00 178.31 178.46 3g3a h GLU 35 N 0.00 0.25 0.00 1.51 4.39 -0.91 -3.43 114.58 116.39 3g3a h GLU 35 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3g3a h GLU 35 Cb 0.93 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3g3a h GLU 35 CO 0.02 0.94 0.00 -1.13 -1.16 0.00 0.00 179.01 177.68 3g3a n SER 36 N -4.45 0.12 -3.95 1.42 3.41 -0.45 -4.76 113.62 104.96 3g3a n SER 36 Ca -0.09 -0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 57.66 3g3a n SER 36 Cb 0.52 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.11 -2.20 -0.51 4.04 2.85 -0.33 -2.30 115.26 116.70 3g3a n ASN 37 Ca 0.00 -0.92 -0.07 0.00 -0.11 0.00 0.00 54.58 53.49 3g3a n ASN 37 Cb 0.10 -3.38 -0.03 0.00 1.24 0.00 0.00 39.78 37.71 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 -4.44 0.00 -2.97 1.20 3.72 -1.18 -4.85 117.46 108.93 3g3a n PHE 38 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 3g3a n PHE 38 Cb 0.60 -2.45 -0.05 0.00 -0.94 0.00 0.00 39.48 36.64 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 -2.25 6.52 0.51 4.37 2.47 -0.97 -1.48 114.94 124.11 3g3a s ASN 39 Ca 0.00 0.28 0.29 0.00 0.42 0.00 0.00 52.86 53.85 3g3a s ASN 39 Cb 0.00 -2.39 1.35 0.00 -1.45 0.00 0.00 41.25 38.77 3g3a s ASN 39 CO 0.00 -0.74 2.01 0.71 -3.72 0.00 0.00 177.10 175.36 3g3a h THR 40 N 5.77 0.44 -0.34 -5.21 1.35 -1.49 -2.92 112.91 110.51 3g3a h THR 40 Ca -0.25 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3g3a h THR 40 Cb 1.09 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3g3a h THR 40 CO 0.91 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 176.30 3g3a n GLN 41 N -3.45 1.93 -1.81 4.72 6.02 -1.26 -3.72 117.38 119.82 3g3a n GLN 41 Ca -0.01 -1.43 -0.40 0.00 -0.01 0.00 0.00 57.00 55.15 3g3a n GLN 41 Cb 0.29 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.20 3g3a n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g3a s ALA 42 N -1.55 3.43 -0.08 -1.58 0.00 -1.10 -4.88 121.76 116.00 3g3a s ALA 42 Ca 0.30 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.72 3g3a s ALA 42 Cb 0.16 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3g3a s ALA 42 CO 0.22 -1.11 0.20 0.99 0.00 0.00 0.00 175.76 176.07 3g3a s THR 43 N -1.16 -0.01 -0.11 0.00 2.01 -1.26 -2.15 115.64 112.97 3g3a s THR 43 Ca 0.56 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 3g3a s THR 43 Cb -0.45 -0.30 0.06 0.00 0.01 0.00 0.00 72.50 71.82 3g3a s THR 43 CO 0.60 0.01 0.21 0.21 -0.69 0.00 0.00 174.62 174.97 3g3a s ASN 44 N 0.32 0.58 -0.00 3.53 2.47 -0.42 -4.95 114.94 116.46 3g3a s ASN 44 Ca -0.02 0.44 -0.29 0.00 0.42 0.00 0.00 52.86 53.41 3g3a s ASN 44 Cb -0.03 0.49 -0.03 0.00 -1.45 0.00 0.00 41.25 40.23 3g3a s ASN 44 CO -0.01 -0.25 0.95 -0.13 -3.72 0.00 0.00 177.10 173.94 3g3a s ARG 45 N 2.36 4.55 0.29 0.43 1.81 -1.26 0.39 118.95 127.51 3g3a s ARG 45 Ca 0.02 1.36 0.07 0.00 -1.72 0.00 0.00 55.73 55.46 3g3a s ARG 45 Cb -0.12 -3.45 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 3g3a s ARG 45 CO -0.07 -0.03 0.23 -0.80 -0.68 0.00 0.00 175.30 173.96 3g3a s ASN 46 N 0.94 5.41 0.49 0.23 0.01 0.01 -4.97 114.94 117.06 3g3a s ASN 46 Ca 0.50 -0.36 0.28 0.00 -0.71 0.00 0.00 52.86 52.57 3g3a s ASN 46 Cb -0.21 -1.21 0.87 0.00 0.41 0.00 0.00 41.25 41.11 3g3a s ASN 46 CO 0.27 -0.17 1.80 0.71 -1.51 0.00 0.00 177.10 178.20 3g3a h THR 47 N 1.39 0.00 0.00 1.60 1.35 -1.97 -2.11 112.91 113.17 3g3a h THR 47 Ca -0.47 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3g3a h THR 47 Cb 1.25 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3g3a h THR 47 CO 0.60 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 3g3a n ASP 48 N -3.08 0.62 0.00 5.36 5.75 -1.26 -4.88 116.55 119.07 3g3a n ASP 48 Ca 0.02 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 3g3a n ASP 48 Cb 0.41 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 1.12 0.70 3.94 6.12 0.00 -0.79 -4.98 105.19 111.30 3g3a n GLY 49 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.07 4.01 0.01 1.61 1.04 -1.26 -4.54 113.70 112.51 3g3a s SER 50 Ca 0.00 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.68 3g3a s SER 50 Cb 0.00 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.53 3g3a s SER 50 CO 0.00 -2.14 -0.04 -0.89 0.98 0.00 0.00 173.24 171.16 3g3a s THR 51 N -3.52 0.23 -0.03 2.02 2.01 -1.26 -0.81 115.64 114.29 3g3a s THR 51 Ca 0.67 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 3g3a s THR 51 Cb -0.07 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3g3a s THR 51 CO 0.48 -0.20 0.38 -1.81 -0.69 0.00 0.00 174.62 172.78 3g3a s ASP 52 N -0.77 6.73 -0.01 3.53 1.01 0.16 -0.68 116.67 126.64 3g3a s ASP 52 Ca -0.06 0.87 0.04 0.00 0.71 0.00 0.00 52.55 54.10 3g3a s ASP 52 Cb -0.05 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 3g3a s ASP 52 CO -0.00 0.29 -0.13 -0.31 0.21 0.00 0.00 175.17 175.23 3g3a s TYR 53 N -0.83 1.19 0.00 4.23 2.02 0.12 -1.30 117.35 122.78 3g3a s TYR 53 Ca 0.22 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 3g3a s TYR 53 Cb -0.16 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3g3a s TYR 53 CO 0.11 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 3g3a n GLY 54 N 2.67 -3.64 0.33 0.71 0.00 -0.91 -0.45 105.19 103.89 3g3a n GLY 54 Ca -0.14 -1.93 0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 0.31 0.00 -0.61 3.07 -1.75 -2.67 117.51 115.86 3g3a h ILE 55 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 3g3a h ILE 55 Cb 0.00 0.88 -0.03 0.00 -0.27 0.00 0.00 36.82 37.40 3g3a h ILE 55 CO 0.00 0.00 -0.30 0.18 -1.05 0.00 0.00 178.15 176.98 3g3a n LEU 56 N -3.52 2.16 -3.97 0.16 4.77 -1.26 -3.75 117.00 111.58 3g3a n LEU 56 Ca -0.01 -3.11 -0.38 0.00 -0.03 0.00 0.00 56.01 52.49 3g3a n LEU 56 Cb 0.23 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3g3a n LEU 56 CO 0.24 0.90 -0.16 0.00 -1.33 0.00 0.00 177.39 177.04 3g3a n GLN 57 N -1.05 -0.47 -2.56 3.23 1.13 -1.01 -4.89 117.38 111.76 3g3a n GLN 57 Ca 0.15 0.07 -0.41 0.00 -1.94 0.00 0.00 57.00 54.86 3g3a n GLN 57 Cb 0.70 -1.91 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 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 -3.61 4.04 0.09 5.09 -1.09 0.41 -4.51 121.20 121.61 3g3a s ILE 58 Ca 0.36 1.71 -0.22 0.00 -2.23 0.00 0.00 60.65 60.27 3g3a s ILE 58 Cb -0.20 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.52 3g3a s ILE 58 CO 0.82 0.27 0.64 0.21 -1.23 0.00 0.00 174.94 175.65 3g3a s ASN 59 N 0.03 7.15 0.00 3.58 3.84 -1.26 -0.71 114.94 127.58 3g3a s ASN 59 Ca 0.50 1.37 0.30 0.00 0.21 0.00 0.00 52.86 55.23 3g3a s ASN 59 Cb -0.28 -2.41 1.80 0.00 -0.55 0.00 0.00 41.25 39.82 3g3a s ASN 59 CO 0.33 0.21 2.13 -1.54 -2.79 0.00 0.00 177.10 175.45 3g3a n SER 60 N 1.90 0.00 0.08 -4.21 3.41 0.14 -2.11 113.62 112.83 3g3a n SER 60 Ca -0.08 -0.95 -0.22 0.00 -0.26 0.00 0.00 58.87 57.37 3g3a n SER 60 Cb 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.53 0.00 4.33 9.65 -1.83 -3.39 114.38 123.67 3g3a h ARG 61 Ca 0.00 -0.73 -0.14 0.00 -1.10 0.00 0.00 59.98 58.01 3g3a h ARG 61 Cb 0.00 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3g3a h ARG 61 CO 0.00 1.32 -1.51 0.91 2.80 0.00 0.00 179.97 183.49 3g3a n TRP 62 N -3.91 0.00 -0.08 2.20 7.02 -1.22 0.45 117.44 121.90 3g3a n TRP 62 Ca -0.14 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.25 3g3a n TRP 62 Cb 0.92 -0.35 -0.09 0.00 -2.42 0.00 0.00 31.31 29.37 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 -2.69 0.00 -4.24 -5.99 7.02 -0.90 -0.92 117.44 109.72 3g3a n TRP 63 Ca -0.15 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.19 3g3a n TRP 63 Cb 0.68 -0.66 -0.10 0.00 -2.42 0.00 0.00 31.31 28.81 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 -3.20 5.03 0.00 0.00 2.47 -0.56 -4.59 114.94 114.09 3g3a s ASN 65 Ca 0.34 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.47 3g3a s ASN 65 Cb 0.07 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.01 3g3a s ASN 65 CO 0.10 0.07 0.36 -0.90 -3.72 0.00 0.00 177.10 173.01 3g3a n ASP 66 N 4.21 0.73 -0.64 -4.21 5.75 -1.26 -0.60 116.55 120.53 3g3a n ASP 66 Ca -0.17 -0.87 -0.08 0.00 -0.01 0.00 0.00 54.79 53.66 3g3a n ASP 66 Cb 0.52 0.24 -0.04 0.00 -1.03 0.00 0.00 41.12 40.81 3g3a n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3a n GLY 67 N 0.24 0.88 0.23 6.12 0.00 -1.26 -4.78 105.19 106.62 3g3a n GLY 67 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.14 0.51 -3.79 1.61 1.85 -1.26 -4.98 116.66 109.46 3g3a n ARG 68 Ca -0.08 -1.13 -0.35 0.00 -1.00 0.00 0.00 57.85 55.28 3g3a n ARG 68 Cb 0.48 -0.70 -0.11 0.00 -1.05 0.00 0.00 32.46 31.07 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 -0.54 3.33 0.15 8.89 2.01 -1.26 -4.86 115.64 123.36 3g3a s THR 69 Ca 0.05 -2.84 -0.33 0.00 0.31 0.00 0.00 61.69 58.88 3g3a s THR 69 Cb 0.04 -3.23 -0.13 0.00 0.01 0.00 0.00 72.50 69.20 3g3a s THR 69 CO 0.00 -0.81 1.69 -2.65 -0.69 0.00 0.00 174.62 172.16 3g3a n PRO 70 N 3.65 2.43 -1.09 4.92 -0.02 -1.26 -2.66 135.00 140.97 3g3a n PRO 70 Ca 0.05 0.88 -0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3g3a n PRO 70 Cb 0.38 -2.70 -0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 3.79 0.39 3.98 -1.23 0.00 -1.26 -5.02 105.19 105.84 3g3a n GLY 71 Ca 0.17 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 5.68 0.40 1.61 1.04 -1.09 -5.06 113.70 113.28 3g3a s SER 72 Ca 0.00 -0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.47 3g3a s SER 72 Cb 0.00 -1.11 -0.05 0.00 0.10 0.00 0.00 66.02 64.96 3g3a s SER 72 CO 0.00 -0.77 0.19 -0.13 0.98 0.00 0.00 173.24 173.50 3g3a s ARG 73 N -4.49 2.27 -0.51 4.02 1.81 0.17 -4.99 118.95 117.23 3g3a s ARG 73 Ca 0.51 -1.76 0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3g3a s ARG 73 Cb -0.10 -2.05 0.28 0.00 -0.45 0.00 0.00 34.95 32.63 3g3a s ARG 73 CO 0.36 -0.08 0.72 -1.71 -0.68 0.00 0.00 175.30 173.91 3g3a n ASN 74 N -1.24 2.42 0.11 0.23 5.15 -1.23 -3.74 115.26 116.96 3g3a n ASN 74 Ca -0.01 -3.21 0.03 0.00 -0.60 0.00 0.00 54.58 50.79 3g3a n ASN 74 Cb 0.64 -0.63 0.41 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.24 0.00 1.20 4.07 -0.88 -2.13 115.31 121.50 3g3a h LEU 75 Ca 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3g3a h LEU 75 Cb 0.74 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.42 3g3a h LEU 75 CO 0.67 0.36 -0.28 0.00 -1.08 0.00 0.00 178.44 178.11 3g3a n ASN 77 N -1.82 -2.63 -3.98 0.00 4.13 -0.80 -4.97 115.26 105.19 3g3a n ASN 77 Ca 0.05 -0.63 -0.12 0.00 1.68 0.00 0.00 54.58 55.57 3g3a n ASN 77 Cb 0.38 -5.00 -0.12 0.00 -1.54 0.00 0.00 39.78 33.50 3g3a n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3g3a s ILE 78 N -3.38 0.25 0.33 2.41 -4.36 -1.26 -5.08 121.20 110.11 3g3a s ILE 78 Ca 0.10 -0.65 -0.29 0.00 -0.26 0.00 0.00 60.65 59.54 3g3a s ILE 78 Cb -0.04 -0.32 -0.10 0.00 1.25 0.00 0.00 42.46 43.25 3g3a s ILE 78 CO 0.74 -0.26 1.36 -2.84 0.24 0.00 0.00 174.94 174.17 3g3a s PRO 79 N -0.97 4.30 0.46 0.37 0.02 -1.26 -1.50 135.00 136.42 3g3a s PRO 79 Ca -0.08 2.29 0.31 0.00 0.02 0.00 0.00 61.00 63.54 3g3a s PRO 79 Cb -0.07 -3.06 1.52 0.00 0.02 0.00 0.00 34.50 32.92 3g3a s PRO 79 CO -0.00 -0.28 1.95 0.00 -0.33 0.00 0.00 177.00 178.33 3g3a h SER 81 N 0.00 0.76 -0.37 0.00 4.64 -1.91 -2.65 113.55 114.02 3g3a h SER 81 Ca 0.00 -0.41 0.11 0.00 -0.47 0.00 0.00 61.79 61.01 3g3a h SER 81 Cb 0.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3g3a h SER 81 CO 0.00 1.16 0.38 0.00 -0.87 0.00 0.00 176.83 177.51 3g3a h ALA 82 N 0.85 2.08 -0.00 5.18 0.00 -1.91 -0.44 119.26 125.01 3g3a h ALA 82 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3a h ALA 82 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3g3a h ALA 82 CO 0.11 -0.57 -0.00 1.28 0.00 0.00 0.00 179.25 180.07 3g3a n LEU 83 N -3.79 0.27 -0.65 0.00 4.77 -1.00 -3.13 117.00 113.47 3g3a n LEU 83 Ca 0.06 -0.09 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3g3a n LEU 83 Cb 0.55 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.75 3g3a n LEU 83 CO 0.28 0.04 0.54 0.18 -1.33 0.00 0.00 177.39 177.11 3g3a n LEU 84 N -0.79 2.54 -4.82 2.23 4.77 -0.18 -3.66 117.00 117.09 3g3a n LEU 84 Ca 0.23 -1.37 -0.31 0.00 -0.03 0.00 0.00 56.01 54.53 3g3a n LEU 84 Cb 0.15 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3g3a n LEU 84 CO 0.18 0.54 0.71 -0.55 -1.33 0.00 0.00 177.39 176.94 3g3a s SER 85 N -1.10 5.08 0.47 -1.43 0.15 -1.18 -4.23 113.70 111.45 3g3a s SER 85 Ca 0.21 1.50 0.27 0.00 0.70 0.00 0.00 55.95 58.63 3g3a s SER 85 Cb 0.13 -2.33 1.01 0.00 -1.71 0.00 0.00 66.02 63.13 3g3a s SER 85 CO 0.18 -1.62 1.86 0.77 1.20 0.00 0.00 173.24 175.63 3g3a h SER 86 N -0.84 0.00 -3.46 5.45 4.64 -1.94 -3.40 113.55 113.99 3g3a h SER 86 Ca -0.45 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.29 3g3a h SER 86 Cb 1.23 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.23 3g3a h SER 86 CO 0.58 0.14 0.75 -0.62 -0.87 0.00 0.00 176.83 176.81 3g3a s ASP 87 N -6.04 6.48 0.00 4.97 -1.08 -1.26 -4.91 116.67 114.83 3g3a s ASP 87 Ca 0.01 0.09 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 3g3a s ASP 87 Cb 0.09 -2.49 1.31 0.00 -1.46 0.00 0.00 42.92 40.37 3g3a s ASP 87 CO 0.61 -1.24 1.81 2.30 0.52 0.00 0.00 175.17 179.17 3g3a n ILE 88 N 6.53 0.15 -0.24 4.11 -5.35 -1.26 -4.21 119.36 119.10 3g3a n ILE 88 Ca 0.07 0.04 -0.06 0.00 -0.27 0.00 0.00 62.75 62.53 3g3a n ILE 88 Cb 0.49 -0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 37.72 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 0.10 -0.75 7.28 2.02 -1.93 -0.65 112.91 118.97 3g3a h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3g3a h THR 89 Cb 0.14 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3g3a h THR 89 CO 0.00 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.15 3g3a h ALA 90 N 0.86 0.98 -0.83 6.16 0.00 -1.83 -1.65 119.26 122.95 3g3a h ALA 90 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g3a h ALA 90 Cb 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3g3a h ALA 90 CO -0.74 0.65 0.39 0.77 0.00 0.00 0.00 179.25 180.32 3g3a h SER 91 N 1.11 1.09 -0.43 0.00 0.02 -1.66 -2.02 113.55 111.66 3g3a h SER 91 Ca 0.25 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3g3a h SER 91 Cb 0.28 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3g3a h SER 91 CO -0.01 0.93 0.08 0.58 -1.14 0.00 0.00 176.83 177.26 3g3a h VAL 92 N 1.19 1.23 -0.09 2.27 2.07 -0.81 -1.76 116.25 120.34 3g3a h VAL 92 Ca 0.29 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.72 3g3a h VAL 92 Cb 0.13 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3g3a h VAL 92 CO -0.03 0.31 -0.82 0.78 0.02 0.00 0.00 177.57 177.83 3g3a h ASN 93 N 0.75 0.74 -0.24 0.57 -0.26 -1.03 -2.03 115.58 114.07 3g3a h ASN 93 Ca 0.16 -0.51 -0.14 0.00 -0.56 0.00 0.00 56.30 55.25 3g3a h ASN 93 Cb 0.35 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3g3a h ASN 93 CO 0.01 1.29 -0.38 0.00 -1.06 0.00 0.00 177.43 177.29 3g3a h ALA 95 N 0.65 0.06 -0.95 0.00 0.00 -1.33 -0.91 119.26 116.77 3g3a h ALA 95 Ca 0.02 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3g3a h ALA 95 Cb 0.97 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3g3a h ALA 95 CO 0.09 -0.54 0.56 0.87 0.00 0.00 0.00 179.25 180.22 3g3a h LYS 96 N -0.11 0.74 -0.33 0.00 1.57 -1.36 -1.28 116.57 115.81 3g3a h LYS 96 Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3g3a h LYS 96 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3g3a h LYS 96 CO -0.31 0.49 0.22 0.87 -0.57 0.00 0.00 179.45 180.14 3g3a h LYS 97 N 0.76 0.43 -0.73 3.15 1.79 -1.02 -2.50 116.57 118.45 3g3a h LYS 97 Ca 0.52 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.91 3g3a h LYS 97 Cb 0.73 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 3g3a h LYS 97 CO -0.35 0.28 0.23 0.82 -1.08 0.00 0.00 179.45 179.35 3g3a h ILE 98 N 0.44 1.26 0.00 1.86 2.04 -0.11 -0.97 117.51 122.03 3g3a h ILE 98 Ca 0.12 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3g3a h ILE 98 Cb -0.05 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3g3a h ILE 98 CO -0.03 0.35 -0.34 0.58 0.00 0.00 0.00 178.15 178.72 3g3a h VAL 99 N 1.09 1.02 0.18 1.67 2.07 -1.30 0.60 116.25 121.57 3g3a h VAL 99 Ca 0.24 -1.25 -0.33 0.00 0.82 0.00 0.00 66.70 66.17 3g3a h VAL 99 Cb 0.30 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3g3a h VAL 99 CO -0.01 0.33 -1.58 0.28 0.02 0.00 0.00 177.57 176.61 3g3a h SER 100 N 0.00 0.60 0.93 0.57 0.02 -0.95 -3.39 113.55 111.32 3g3a h SER 100 Ca -0.00 -0.77 -0.22 0.00 -0.84 0.00 0.00 61.79 59.95 3g3a h SER 100 Cb 0.70 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3g3a h SER 100 CO 0.04 1.63 -1.09 0.44 -1.14 0.00 0.00 176.83 176.72 3g3a h ASP 101 N 0.10 0.01 0.00 3.07 5.19 -1.09 -3.50 116.42 120.20 3g3a h ASP 101 Ca -0.28 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3g3a h ASP 101 Cb 2.09 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.59 3g3a h ASP 101 CO 0.20 1.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.94 3g3a n GLY 102 N 1.38 0.05 0.00 2.75 0.00 0.19 -5.09 105.19 104.47 3g3a n GLY 102 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.60 0.37 0.00 -0.02 0.00 -1.26 -4.83 105.19 103.05 3g3a n GLY 104 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.28 0.30 1.61 2.81 -1.26 -2.98 117.12 117.89 3g3a n MET 105 Ca 0.00 0.10 0.19 0.00 -1.81 0.00 0.00 57.70 56.19 3g3a n MET 105 Cb 0.00 -1.50 0.93 0.00 -0.71 0.00 0.00 33.22 31.94 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 -0.74 7.83 -0.26 -1.98 -2.26 115.58 118.17 3g3a h ASN 106 Ca 0.00 0.00 0.17 0.00 -0.56 0.00 0.00 56.30 55.91 3g3a h ASN 106 Cb 0.09 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.30 3g3a h ASN 106 CO 0.00 0.02 0.50 0.00 -1.06 0.00 0.00 177.43 176.89 3g3a h ALA 107 N 1.98 2.26 -1.50 -0.83 0.00 -1.93 -3.34 119.26 115.91 3g3a h ALA 107 Ca -0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3g3a h ALA 107 Cb 0.26 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 3g3a h ALA 107 CO 0.00 -0.47 1.00 -1.58 0.00 0.00 0.00 179.25 178.21 3g3a s TRP 108 N -5.30 2.65 0.22 0.00 0.51 -0.85 -4.91 118.94 111.26 3g3a s TRP 108 Ca -0.07 -0.72 -0.07 0.00 -2.12 0.00 0.00 56.10 53.11 3g3a s TRP 108 Cb 0.21 -4.48 0.34 0.00 -0.81 0.00 0.00 33.47 28.73 3g3a s TRP 108 CO 0.76 -1.79 1.77 0.28 -0.51 0.00 0.00 176.95 177.46 3g3a h VAL 109 N 6.19 0.82 -0.68 4.03 2.07 -1.85 -1.56 116.25 125.27 3g3a h VAL 109 Ca -0.04 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3g3a h VAL 109 Cb 1.04 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3g3a h VAL 109 CO 1.26 0.10 0.17 0.00 0.02 0.00 0.00 177.57 179.12 3g3a h ALA 110 N 1.44 1.02 -0.72 1.67 0.00 -1.94 -1.76 119.26 118.96 3g3a h ALA 110 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3g3a h ALA 110 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3g3a h ALA 110 CO -0.29 0.64 0.42 2.35 0.00 0.00 0.00 179.25 182.38 3g3a h TRP 111 N 1.02 0.97 0.00 0.00 7.01 -1.78 -0.84 115.95 122.34 3g3a h TRP 111 Ca 0.22 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 3g3a h TRP 111 Cb 0.35 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3g3a h TRP 111 CO 0.03 0.66 -0.05 -0.09 -2.79 0.00 0.00 178.44 176.20 3g3a h ARG 112 N 0.99 0.00 0.00 2.65 2.43 -0.47 0.16 114.38 120.13 3g3a h ARG 112 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3g3a h ARG 112 Cb -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3g3a h ARG 112 CO -0.05 0.05 -1.55 0.09 -1.51 0.00 0.00 179.97 177.00 3g3a n ASN 113 N -4.37 0.61 0.00 -3.80 5.03 -0.80 -4.32 115.26 107.61 3g3a n ASN 113 Ca -0.03 -0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.08 3g3a n ASN 113 Cb 0.14 1.59 0.00 0.00 -1.02 0.00 0.00 39.78 40.48 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 -1.93 2.54 -0.10 3.52 1.74 -0.36 -4.89 116.66 117.18 3g3a n ARG 114 Ca -0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 3g3a n ARG 114 Cb 0.44 -0.86 -0.07 0.00 -1.02 0.00 0.00 32.46 30.96 3g3a n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g3a n LYS 116 N -3.91 0.70 -2.93 0.00 4.81 0.42 -1.70 118.16 115.54 3g3a n LYS 116 Ca -0.38 0.25 -0.14 0.00 -0.87 0.00 0.00 58.31 57.18 3g3a n LYS 116 Cb 0.76 -1.86 0.03 0.00 0.02 0.00 0.00 35.03 33.98 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 3.47 0.01 2.96 3.14 0.00 -1.26 -4.95 105.19 108.57 3g3a n GLY 117 Ca 0.25 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.00 0.00 -1.63 2.61 -2.24 -0.69 -5.01 114.28 103.31 3g3a n THR 118 Ca -0.03 -1.89 -0.42 0.00 -2.27 0.00 0.00 64.05 59.43 3g3a n THR 118 Cb 0.55 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 3g3a n THR 118 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3g3a n ASP 119 N -1.39 3.56 0.25 3.42 8.00 -1.26 -4.72 116.55 124.41 3g3a n ASP 119 Ca -0.13 -2.80 0.13 0.00 0.71 0.00 0.00 54.79 52.70 3g3a n ASP 119 Cb 0.52 -1.53 0.63 0.00 -0.02 0.00 0.00 41.12 40.72 3g3a n ASP 119 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3g3a h VAL 120 N 4.24 0.39 0.00 2.53 -1.51 -1.94 -1.41 116.25 118.55 3g3a h VAL 120 Ca 0.52 -0.75 -0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3g3a h VAL 120 Cb 0.66 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3g3a h VAL 120 CO 1.88 0.13 -0.01 -0.61 -1.23 0.00 0.00 177.57 177.72 3g3a h GLN 121 N 0.00 0.00 -0.34 5.19 -0.00 -1.90 -1.75 115.11 116.31 3g3a h GLN 121 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 3g3a h GLN 121 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 3g3a h GLN 121 CO 0.02 0.01 0.27 0.00 0.00 0.00 0.00 178.83 179.13 3g3a h ALA 122 N 1.99 2.21 0.00 3.38 0.00 -1.65 -1.58 119.26 123.61 3g3a h ALA 122 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3g3a h ALA 122 Cb 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3a h ALA 122 CO 0.00 -0.44 -0.12 -1.49 0.00 0.00 0.00 179.25 177.20 3g3a h TRP 123 N 0.00 0.00 -0.51 0.00 4.06 -1.52 -2.26 115.95 115.72 3g3a h TRP 123 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3g3a h TRP 123 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3g3a h TRP 123 CO 0.00 0.12 0.00 0.44 -3.56 0.00 0.00 178.44 175.44 3g3a n ILE 124 N -3.48 0.92 -1.70 1.49 -5.35 -0.61 -4.81 119.36 105.82 3g3a n ILE 124 Ca -0.01 -0.96 -0.43 0.00 -0.27 0.00 0.00 62.75 61.07 3g3a n ILE 124 Cb 0.27 0.57 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 3g3a n ILE 124 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3g3a n ARG 125 N 1.10 2.58 -0.03 6.28 1.85 -0.85 -2.91 116.66 124.67 3g3a n ARG 125 Ca 0.18 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.96 3g3a n ARG 125 Cb 0.52 -2.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 3g3a n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g3a n GLY 126 N 3.83 0.34 0.05 2.89 0.00 -1.26 -5.00 105.19 106.04 3g3a n GLY 126 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 3g3a n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32