#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3r s VAL 2 N 0.00 5.08 0.47 3.15 1.01 -1.26 -1.54 120.40 127.30 3a3r s VAL 2 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 3a3r s VAL 2 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 3a3r s VAL 2 CO 0.00 -0.47 1.06 -0.36 0.00 0.00 0.00 175.10 175.33 3a3r s PHE 3 N 2.15 3.02 0.56 5.22 0.08 -0.51 -5.01 117.98 123.50 3a3r s PHE 3 Ca 0.12 1.59 -0.15 0.00 0.12 0.00 0.00 56.93 58.60 3a3r s PHE 3 Cb -0.18 -3.13 -0.06 0.00 -0.57 0.00 0.00 43.02 39.09 3a3r s PHE 3 CO 0.13 -0.90 1.02 0.20 -0.10 0.00 0.00 175.22 175.57 3a3r s GLY 4 N -1.81 2.00 0.10 4.36 0.00 -1.26 -4.87 107.32 105.84 3a3r s GLY 4 Ca 0.65 0.20 -0.35 0.00 0.00 0.00 0.00 44.72 45.22 3a3r s GLY 4 CO 0.24 0.49 1.56 -0.09 0.00 0.00 0.00 173.10 175.29 3a3r h ARG 5 N 0.51 -0.85 -0.11 2.90 2.43 -1.97 -1.35 114.38 115.94 3a3r h ARG 5 Ca -0.46 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.70 3a3r h ARG 5 Cb 1.20 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3a3r h ARG 5 CO 0.60 -0.56 -0.24 0.00 -1.51 0.00 0.00 179.97 178.26 3a3r h GLU 7 N 0.18 0.75 -0.34 0.00 4.81 -1.93 -1.61 114.58 116.44 3a3r h GLU 7 Ca 0.03 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 3a3r h GLU 7 Cb 0.52 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3a3r h GLU 7 CO 0.04 1.02 -0.19 1.25 -0.73 0.00 0.00 179.01 180.40 3a3r h LEU 8 N 0.51 0.64 -0.42 1.64 5.85 -1.15 -1.83 115.31 120.55 3a3r h LEU 8 Ca 0.05 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3a3r h LEU 8 Cb 0.89 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3a3r h LEU 8 CO 0.08 0.83 0.27 0.00 -0.34 0.00 0.00 178.44 179.28 3a3r h ALA 9 N 1.22 0.54 -0.30 1.25 0.00 -1.35 0.10 119.26 120.73 3a3r h ALA 9 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a3r h ALA 9 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3a3r h ALA 9 CO 0.05 0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.45 3a3r h ALA 10 N 1.14 0.36 -0.49 0.00 0.00 -1.11 -1.63 119.26 117.53 3a3r h ALA 10 Ca 0.15 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3a3r h ALA 10 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3a3r h ALA 10 CO -0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 179.25 178.90 3a3r h ALA 11 N 1.15 0.94 -0.65 0.00 0.00 -0.99 -2.23 119.26 117.49 3a3r h ALA 11 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3a3r h ALA 11 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3a3r h ALA 11 CO -0.09 0.62 0.15 0.52 0.00 0.00 0.00 179.25 180.45 3a3r h MET 12 N 0.79 1.05 -0.14 0.00 2.86 -0.66 -2.50 114.93 116.33 3a3r h MET 12 Ca 0.14 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3a3r h MET 12 Cb 0.58 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3a3r h MET 12 CO 0.04 0.95 0.07 -0.22 1.06 0.00 0.00 176.91 178.80 3a3r h LYS 13 N 0.97 0.15 -0.54 1.72 3.64 -1.15 -2.20 116.57 119.15 3a3r h LYS 13 Ca 0.20 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3a3r h LYS 13 Cb 0.38 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3a3r h LYS 13 CO 0.00 0.10 0.37 -0.09 -2.27 0.00 0.00 179.45 177.56 3a3r h ARG 14 N 0.15 0.34 -0.14 1.90 1.12 -1.22 -0.36 114.38 116.17 3a3r h ARG 14 Ca 0.06 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 3a3r h ARG 14 Cb 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 3a3r h ARG 14 CO -0.04 0.23 0.00 0.72 -3.11 0.00 0.00 179.97 177.76 3a3r n HIS 15 N -4.47 0.17 -2.29 2.20 8.25 -0.96 -4.95 115.22 113.17 3a3r n HIS 15 Ca 0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3a3r n HIS 15 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3a3r n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a3r n GLY 16 N 1.18 0.76 0.07 -1.41 0.00 -0.14 -4.99 105.19 100.65 3a3r n GLY 16 Ca 0.17 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.61 3a3r n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a3r n LEU 17 N -0.69 0.26 -4.63 0.99 4.77 -0.87 -4.60 117.00 112.24 3a3r n LEU 17 Ca 0.00 0.11 -0.45 0.00 -0.03 0.00 0.00 56.01 55.65 3a3r n LEU 17 Cb 0.50 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3a3r n LEU 17 CO 0.00 0.18 1.68 -0.67 -1.33 0.00 0.00 177.39 177.25 3a3r n ASP 18 N -2.60 3.53 -0.41 -1.43 2.03 -1.26 -1.23 116.55 115.19 3a3r n ASP 18 Ca -0.14 0.66 -0.05 0.00 0.52 0.00 0.00 54.79 55.77 3a3r n ASP 18 Cb 0.82 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.73 3a3r n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3a3r n ASN 19 N 8.85 -4.81 -4.68 1.67 3.02 -0.68 -4.89 115.26 113.74 3a3r n ASN 19 Ca 0.26 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.52 3a3r n ASN 19 Cb 0.38 -2.78 -0.03 0.00 -0.61 0.00 0.00 39.78 36.74 3a3r n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3a3r s TYR 20 N -1.81 2.10 -1.56 3.10 5.04 -0.36 -1.46 117.35 122.39 3a3r s TYR 20 Ca 0.00 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3a3r s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 3a3r s TYR 20 CO 0.00 -4.16 0.00 0.54 -1.34 0.00 0.00 175.55 170.59 3a3r n ARG 21 N 6.36 -1.59 -0.48 4.97 5.12 -1.26 -2.30 116.66 127.48 3a3r n ARG 21 Ca 0.17 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 3a3r n ARG 21 Cb 0.41 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.42 3a3r n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a3r n GLY 22 N -0.51 0.73 3.27 -0.13 0.00 -0.54 -5.05 105.19 102.95 3a3r n GLY 22 Ca -0.17 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 3a3r n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a3r s TYR 23 N -2.00 3.30 0.71 1.61 2.02 -0.97 -4.93 117.35 117.08 3a3r s TYR 23 Ca 0.00 -1.51 -0.16 0.00 -0.37 0.00 0.00 57.07 55.03 3a3r s TYR 23 Cb 0.00 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 3a3r s TYR 23 CO 0.00 -0.78 0.73 -1.13 -1.57 0.00 0.00 175.55 172.80 3a3r n SER 24 N 4.83 -0.42 -0.29 2.29 3.41 -1.26 -1.69 113.62 120.50 3a3r n SER 24 Ca -0.11 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 3a3r n SER 24 Cb 0.44 -1.30 0.27 0.00 -0.26 0.00 0.00 64.21 63.36 3a3r n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3a3r h LEU 25 N -0.25 0.06 -1.76 1.04 5.85 -1.90 0.32 115.31 118.66 3a3r h LEU 25 Ca -0.46 0.18 0.24 0.00 0.84 0.00 0.00 57.88 58.67 3a3r h LEU 25 Cb 1.35 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.55 3a3r h LEU 25 CO 0.45 -0.10 0.63 1.23 -0.34 0.00 0.00 178.44 180.31 3a3r h GLY 26 N 0.26 0.43 0.89 3.75 0.00 -1.91 -1.79 103.07 104.70 3a3r h GLY 26 Ca 0.52 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.67 3a3r h GLY 26 CO -0.60 -0.02 -0.21 3.43 0.00 0.00 0.00 176.54 179.14 3a3r h ASN 27 N 0.18 0.62 -0.49 0.19 2.35 -1.18 -2.16 115.58 115.10 3a3r h ASN 27 Ca 0.46 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3a3r h ASN 27 Cb 1.50 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 3a3r h ASN 27 CO -0.10 0.94 -0.00 -0.50 -1.65 0.00 0.00 177.43 176.13 3a3r h TRP 28 N 0.30 0.95 -0.59 1.19 4.06 -1.39 -1.17 115.95 119.30 3a3r h TRP 28 Ca 0.04 -0.17 -0.06 0.00 2.06 0.00 0.00 58.89 60.77 3a3r h TRP 28 Cb 0.75 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 3a3r h TRP 28 CO 0.07 0.89 0.14 0.28 -3.56 0.00 0.00 178.44 176.26 3a3r h VAL 29 N 0.73 1.25 -0.43 1.49 2.07 -1.41 -1.67 116.25 118.27 3a3r h VAL 29 Ca 0.14 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3a3r h VAL 29 Cb 0.52 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3a3r h VAL 29 CO 0.03 0.34 0.22 0.00 0.02 0.00 0.00 177.57 178.17 3a3r h ALA 31 N 1.07 1.27 -0.25 0.00 0.00 -0.95 -2.58 119.26 117.82 3a3r h ALA 31 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3a3r h ALA 31 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3a3r h ALA 31 CO -0.02 0.49 -0.46 0.00 0.00 0.00 0.00 179.25 179.26 3a3r h ALA 32 N 1.40 0.39 -0.19 0.00 0.00 -1.20 -1.70 119.26 117.96 3a3r h ALA 32 Ca 0.38 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3a3r h ALA 32 Cb 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3a3r h ALA 32 CO -0.13 0.54 -0.19 -0.22 0.00 0.00 0.00 179.25 179.25 3a3r h LYS 33 N 0.48 -0.20 0.00 0.00 1.63 -1.01 -1.40 116.57 116.07 3a3r h LYS 33 Ca 0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3a3r h LYS 33 Cb 1.06 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3a3r h LYS 33 CO 0.10 -0.13 -0.50 0.74 -3.45 0.00 0.00 179.45 176.20 3a3r h PHE 34 N -0.21 0.00 0.09 1.91 0.05 -1.52 0.17 116.94 117.44 3a3r h PHE 34 Ca 0.12 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 61.62 3a3r h PHE 34 Cb 0.38 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.36 3a3r h PHE 34 CO -0.32 0.00 -1.20 0.93 -0.18 0.00 0.00 178.31 177.54 3a3r h GLU 35 N 0.00 0.63 0.00 1.51 4.39 -1.20 -3.43 114.58 116.48 3a3r h GLU 35 Ca 0.00 -0.80 0.00 0.00 0.34 0.00 0.00 59.36 58.90 3a3r h GLU 35 Cb 0.99 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3a3r h GLU 35 CO 0.00 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 3a3r n SER 36 N -3.79 0.00 -4.01 1.42 3.41 -0.55 -4.88 113.62 105.22 3a3r n SER 36 Ca -0.13 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.17 3a3r n SER 36 Cb 0.96 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 3a3r n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a3r n ASN 37 N 0.00 -3.76 -0.70 4.04 5.15 0.61 -1.99 115.26 118.62 3a3r n ASN 37 Ca 0.00 -0.88 -0.09 0.00 -0.60 0.00 0.00 54.58 53.01 3a3r n ASN 37 Cb 0.27 -3.45 -0.04 0.00 -0.53 0.00 0.00 39.78 36.04 3a3r n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a3r n PHE 38 N -4.54 0.00 -3.35 1.20 3.72 -1.21 -4.85 117.46 108.42 3a3r n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3a3r n PHE 38 Cb 0.53 -2.24 -0.09 0.00 -0.94 0.00 0.00 39.48 36.75 3a3r n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a3r s ASN 39 N -2.47 6.23 0.58 4.37 2.47 -0.84 -1.43 114.94 123.85 3a3r s ASN 39 Ca 0.00 -0.09 0.36 0.00 0.42 0.00 0.00 52.86 53.55 3a3r s ASN 39 Cb 0.00 -2.22 1.75 0.00 -1.45 0.00 0.00 41.25 39.33 3a3r s ASN 39 CO 0.00 -0.36 2.14 0.71 -3.72 0.00 0.00 177.10 175.87 3a3r h THR 40 N 5.54 0.15 -0.33 -5.21 1.35 -1.60 -2.99 112.91 109.82 3a3r h THR 40 Ca -0.29 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3a3r h THR 40 Cb 1.14 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3a3r h THR 40 CO 0.71 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 3a3r n GLN 41 N -3.23 2.04 -1.95 4.72 6.02 -1.26 -4.12 117.38 119.59 3a3r n GLN 41 Ca -0.01 -1.58 -0.42 0.00 -0.01 0.00 0.00 57.00 54.97 3a3r n GLN 41 Cb 0.21 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 3a3r n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a3r s ALA 42 N -1.56 3.63 0.14 -1.58 0.00 -1.13 -4.82 121.76 116.44 3a3r s ALA 42 Ca 0.33 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.46 3a3r s ALA 42 Cb 0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3a3r s ALA 42 CO 0.25 -1.29 -0.24 0.95 0.00 0.00 0.00 175.76 175.44 3a3r s THR 43 N 3.52 2.05 -0.16 0.00 -4.23 -1.26 -0.62 115.64 114.95 3a3r s THR 43 Ca 0.75 -1.75 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 3a3r s THR 43 Cb -0.36 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 71.67 3a3r s THR 43 CO 0.32 -0.04 0.38 0.20 -0.54 0.00 0.00 174.62 174.94 3a3r s ASN 44 N -2.18 -0.41 0.10 3.99 0.01 -0.90 -4.99 114.94 110.56 3a3r s ASN 44 Ca 0.13 0.83 -0.25 0.00 -0.71 0.00 0.00 52.86 52.85 3a3r s ASN 44 Cb -0.09 0.76 -0.07 0.00 0.41 0.00 0.00 41.25 42.26 3a3r s ASN 44 CO 0.06 -0.19 0.77 -0.60 -1.51 0.00 0.00 177.10 175.62 3a3r s ARG 45 N 1.53 4.52 0.22 -0.60 6.06 -1.26 -0.46 118.95 128.95 3a3r s ARG 45 Ca -0.08 1.10 -0.01 0.00 -2.50 0.00 0.00 55.73 54.24 3a3r s ARG 45 Cb -0.09 -3.32 -0.04 0.00 0.06 0.00 0.00 34.95 31.56 3a3r s ARG 45 CO -0.12 0.42 0.41 -0.80 -2.50 0.00 0.00 175.30 172.71 3a3r s ASN 46 N -0.56 6.38 0.49 -2.12 0.01 0.26 -4.96 114.94 114.44 3a3r s ASN 46 Ca 0.37 0.41 0.15 0.00 -0.71 0.00 0.00 52.86 53.08 3a3r s ASN 46 Cb -0.22 -2.01 1.16 0.00 0.41 0.00 0.00 41.25 40.59 3a3r s ASN 46 CO 0.24 -0.08 2.08 0.71 -1.51 0.00 0.00 177.10 178.55 3a3r h THR 47 N 1.44 1.05 0.00 1.60 1.35 -1.98 -0.81 112.91 115.56 3a3r h THR 47 Ca -0.48 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3a3r h THR 47 Cb 1.20 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3a3r h THR 47 CO 0.67 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 3a3r n ASP 48 N -4.45 0.00 0.00 5.36 5.68 -1.26 -4.88 116.55 117.00 3a3r n ASP 48 Ca -0.03 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 3a3r n ASP 48 Cb 0.16 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3a3r n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a3r n GLY 49 N 0.59 0.71 3.86 6.12 0.00 -0.31 -5.06 105.19 111.10 3a3r n GLY 49 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3a3r n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3r s SER 50 N -2.65 4.25 0.04 1.61 1.04 -1.26 -4.80 113.70 111.94 3a3r s SER 50 Ca 0.00 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.34 3a3r s SER 50 Cb 0.00 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.68 3a3r s SER 50 CO 0.00 -2.08 -0.11 -0.89 0.98 0.00 0.00 173.24 171.14 3a3r s THR 51 N -3.46 0.88 -0.13 2.02 2.01 -1.26 -0.57 115.64 115.12 3a3r s THR 51 Ca 0.62 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 3a3r s THR 51 Cb -0.12 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3a3r s THR 51 CO 0.51 -0.15 0.07 -1.81 -0.69 0.00 0.00 174.62 172.55 3a3r s ASP 52 N -1.30 5.75 -0.09 3.53 1.01 0.39 -1.20 116.67 124.77 3a3r s ASP 52 Ca -0.02 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.48 3a3r s ASP 52 Cb -0.08 -1.84 0.01 0.00 1.01 0.00 0.00 42.92 42.02 3a3r s ASP 52 CO 0.01 0.32 -0.14 -0.31 0.21 0.00 0.00 175.17 175.26 3a3r s TYR 53 N -0.50 1.72 0.00 4.23 2.02 -0.31 -2.11 117.35 122.41 3a3r s TYR 53 Ca 0.10 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 3a3r s TYR 53 Cb -0.12 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3a3r s TYR 53 CO 0.02 -0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.03 3a3r n GLY 54 N 4.03 -1.60 0.32 0.71 0.00 0.21 -1.78 105.19 107.07 3a3r n GLY 54 Ca -0.20 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.38 3a3r n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a3r h ILE 55 N 0.00 1.17 -0.23 -0.61 6.09 -1.72 -2.61 117.51 119.60 3a3r h ILE 55 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 3a3r h ILE 55 Cb 0.00 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.72 3a3r h ILE 55 CO 0.00 0.19 0.00 0.18 -3.07 0.00 0.00 178.15 175.45 3a3r n LEU 56 N -4.39 2.74 -3.57 2.19 4.77 -1.26 -4.15 117.00 113.33 3a3r n LEU 56 Ca 0.05 -2.13 -0.23 0.00 -0.03 0.00 0.00 56.01 53.67 3a3r n LEU 56 Cb 0.10 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3a3r n LEU 56 CO 0.37 0.66 -0.04 0.00 -1.33 0.00 0.00 177.39 177.05 3a3r n GLN 57 N 0.07 -3.12 -2.40 3.23 1.13 -0.99 -4.93 117.38 110.38 3a3r n GLN 57 Ca 0.09 0.64 -0.41 0.00 -1.94 0.00 0.00 57.00 55.39 3a3r n GLN 57 Cb 0.43 -5.04 -0.04 0.00 0.11 0.00 0.00 30.24 25.70 3a3r n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a3r s ILE 58 N -3.52 3.52 0.04 5.09 -1.09 -0.74 -4.34 121.20 120.16 3a3r s ILE 58 Ca 0.27 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.84 3a3r s ILE 58 Cb -0.07 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 3a3r s ILE 58 CO 0.81 0.25 0.60 -0.62 -1.23 0.00 0.00 174.94 174.75 3a3r s ASP 59 N -0.20 7.04 0.00 3.58 3.68 -1.26 -1.16 116.67 128.35 3a3r s ASP 59 Ca 0.50 1.24 0.28 0.00 2.13 0.00 0.00 52.55 56.69 3a3r s ASP 59 Cb -0.33 -2.37 1.27 0.00 -1.45 0.00 0.00 42.92 40.04 3a3r s ASP 59 CO 0.39 0.18 1.91 -1.54 0.13 0.00 0.00 175.17 176.24 3a3r n SER 60 N 2.24 0.00 0.03 -0.34 3.41 -0.34 -2.28 113.62 116.33 3a3r n SER 60 Ca -0.08 0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.71 3a3r n SER 60 Cb 0.51 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 3a3r n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a3r h ARG 61 N 0.00 0.46 0.00 4.33 2.43 -1.84 -3.39 114.38 116.36 3a3r h ARG 61 Ca 0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3a3r h ARG 61 Cb 0.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3a3r h ARG 61 CO 0.00 0.82 -1.01 0.91 -1.51 0.00 0.00 179.97 179.18 3a3r n TRP 62 N -4.00 0.00 -0.06 2.20 7.02 -1.24 -1.47 117.44 119.89 3a3r n TRP 62 Ca -0.02 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.39 3a3r n TRP 62 Cb 0.53 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.34 3a3r n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a3r n TRP 63 N -2.07 0.00 -4.12 -5.99 7.02 -0.97 -1.41 117.44 109.90 3a3r n TRP 63 Ca -0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3a3r n TRP 63 Cb 0.50 -0.53 -0.10 0.00 -2.42 0.00 0.00 31.31 28.77 3a3r n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a3r s ASN 65 N -2.97 6.19 0.00 0.00 2.47 -0.94 -4.62 114.94 115.08 3a3r s ASN 65 Ca 0.09 0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.59 3a3r s ASN 65 Cb 0.07 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 3a3r s ASN 65 CO -0.08 -0.06 0.74 -0.90 -3.72 0.00 0.00 177.10 173.08 3a3r n ASP 66 N 4.78 1.48 -0.12 -4.21 5.68 -1.26 -1.17 116.55 121.73 3a3r n ASP 66 Ca -0.12 -1.47 -0.02 0.00 -0.50 0.00 0.00 54.79 52.69 3a3r n ASP 66 Cb 0.51 -0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 3a3r n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a3r n GLY 67 N -0.22 0.38 0.74 6.12 0.00 -1.26 -4.81 105.19 106.14 3a3r n GLY 67 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.96 3a3r n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a3r n ARG 68 N -1.12 0.00 -3.92 1.61 1.85 -1.26 -4.97 116.66 108.85 3a3r n ARG 68 Ca -0.02 -1.24 -0.29 0.00 -1.00 0.00 0.00 57.85 55.31 3a3r n ARG 68 Cb 0.28 -0.37 -0.13 0.00 -1.05 0.00 0.00 32.46 31.19 3a3r n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a3r s THR 69 N 0.00 2.73 0.24 8.89 2.01 -1.26 -4.89 115.64 123.36 3a3r s THR 69 Ca 0.08 -3.84 -0.31 0.00 0.31 0.00 0.00 61.69 57.93 3a3r s THR 69 Cb 0.09 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.63 3a3r s THR 69 CO -0.04 -0.92 1.41 -2.65 -0.69 0.00 0.00 174.62 171.73 3a3r n PRO 70 N 2.48 2.02 -0.99 4.92 -0.02 -1.26 -1.87 135.00 140.29 3a3r n PRO 70 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3a3r n PRO 70 Cb 0.34 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3a3r n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a3r n GLY 71 N 2.17 0.82 3.79 -1.23 0.00 -1.26 -5.01 105.19 104.46 3a3r n GLY 71 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3a3r n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3r s SER 72 N -2.68 4.00 0.43 1.61 1.04 -0.78 -5.08 113.70 112.23 3a3r s SER 72 Ca 0.00 1.18 0.07 0.00 0.48 0.00 0.00 55.95 57.67 3a3r s SER 72 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3a3r s SER 72 CO 0.00 -2.27 0.21 -0.13 0.98 0.00 0.00 173.24 172.03 3a3r s ARG 73 N -5.19 2.25 -0.39 4.02 0.52 -0.54 -5.01 118.95 114.60 3a3r s ARG 73 Ca 0.62 -1.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.05 3a3r s ARG 73 Cb -0.15 -2.00 0.26 0.00 0.52 0.00 0.00 34.95 33.58 3a3r s ARG 73 CO 0.54 -0.18 0.56 -1.71 0.02 0.00 0.00 175.30 174.53 3a3r n ASN 74 N -1.31 0.12 0.15 0.23 4.05 -1.21 -3.71 115.26 113.57 3a3r n ASN 74 Ca -0.02 -2.75 -0.00 0.00 0.45 0.00 0.00 54.58 52.26 3a3r n ASN 74 Cb 0.64 -0.53 0.22 0.00 1.23 0.00 0.00 39.78 41.34 3a3r n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3a3r h LEU 75 N 3.88 0.00 -0.29 1.20 3.38 -1.18 -2.25 115.31 120.05 3a3r h LEU 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a3r h LEU 75 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3a3r h LEU 75 CO 0.46 0.55 -0.05 0.00 0.09 0.00 0.00 178.44 179.49 3a3r n ASN 77 N -0.77 -3.67 -4.06 0.00 3.02 -0.85 -4.99 115.26 103.94 3a3r n ASN 77 Ca 0.18 -0.85 -0.07 0.00 -0.03 0.00 0.00 54.58 53.81 3a3r n ASN 77 Cb 0.24 -3.63 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 3a3r n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a3r s ILE 78 N -3.40 0.20 0.33 2.41 -0.00 -1.26 -5.08 121.20 114.40 3a3r s ILE 78 Ca 0.53 -1.64 -0.28 0.00 -0.00 0.00 0.00 60.65 59.27 3a3r s ILE 78 Cb -0.27 -1.30 -0.09 0.00 -0.00 0.00 0.00 42.46 40.80 3a3r s ILE 78 CO 0.85 -0.90 1.17 -2.16 -0.00 0.00 0.00 174.94 173.89 3a3r s PRO 79 N -3.49 4.38 0.51 0.37 0.04 -1.26 -2.21 135.00 133.34 3a3r s PRO 79 Ca 0.03 1.90 0.18 0.00 0.04 0.00 0.00 61.00 63.14 3a3r s PRO 79 Cb 0.05 -2.98 1.26 0.00 0.04 0.00 0.00 34.50 32.88 3a3r s PRO 79 CO -0.08 -0.06 2.10 0.00 0.04 0.00 0.00 177.00 179.00 3a3r h SER 81 N 0.05 0.00 -0.17 0.00 4.64 -1.92 -1.31 113.55 114.85 3a3r h SER 81 Ca 0.09 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3a3r h SER 81 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3a3r h SER 81 CO -0.01 0.15 0.16 0.00 -0.87 0.00 0.00 176.83 176.26 3a3r h ALA 82 N 1.85 1.93 0.00 5.18 0.00 -1.57 -2.15 119.26 124.49 3a3r h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a3r h ALA 82 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a3r h ALA 82 CO 0.02 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.31 3a3r n LEU 83 N -4.08 0.00 -0.69 0.00 4.32 -0.49 -3.52 117.00 112.53 3a3r n LEU 83 Ca 0.01 0.13 0.09 0.00 -0.02 0.00 0.00 56.01 56.22 3a3r n LEU 83 Cb 0.28 -0.13 0.07 0.00 -1.62 0.00 0.00 43.42 42.02 3a3r n LEU 83 CO 0.31 -0.01 0.51 0.18 -1.22 0.00 0.00 177.39 177.16 3a3r n LEU 84 N -1.13 2.43 -4.63 2.23 4.77 -0.81 -4.18 117.00 115.68 3a3r n LEU 84 Ca 0.19 -0.97 -0.31 0.00 -0.03 0.00 0.00 56.01 54.88 3a3r n LEU 84 Cb 0.16 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.43 3a3r n LEU 84 CO 0.19 0.43 0.61 -0.24 -1.33 0.00 0.00 177.39 177.05 3a3r n SER 85 N 0.90 -0.02 0.18 -1.43 2.88 -1.23 -4.29 113.62 110.61 3a3r n SER 85 Ca 0.10 0.35 0.05 0.00 -1.33 0.00 0.00 58.87 58.05 3a3r n SER 85 Cb 0.45 -1.44 0.25 0.00 -0.75 0.00 0.00 64.21 62.72 3a3r n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3a3r h SER 86 N -1.97 0.00 -3.16 -3.46 4.64 -1.94 -3.42 113.55 104.24 3a3r h SER 86 Ca -0.45 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.30 3a3r h SER 86 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 3a3r h SER 86 CO 0.41 0.40 0.69 -0.62 -0.87 0.00 0.00 176.83 176.84 3a3r s ASP 87 N -6.40 7.16 0.00 4.97 -1.08 -1.26 -4.95 116.67 115.11 3a3r s ASP 87 Ca 0.01 1.46 0.27 0.00 -0.52 0.00 0.00 52.55 53.78 3a3r s ASP 87 Cb 0.10 -2.55 1.09 0.00 -1.46 0.00 0.00 42.92 40.09 3a3r s ASP 87 CO 0.70 -0.57 1.76 2.30 0.52 0.00 0.00 175.17 179.88 3a3r n ILE 88 N 4.95 0.03 -0.13 4.11 -5.35 -1.26 -4.51 119.36 117.19 3a3r n ILE 88 Ca 0.11 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 3a3r n ILE 88 Cb 0.47 0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 38.76 3a3r n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a3r h THR 89 N 2.12 0.23 -0.52 7.28 2.02 -1.95 -0.30 112.91 121.79 3a3r h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3a3r h THR 89 Cb 0.45 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3a3r h THR 89 CO 0.00 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.03 3a3r h ALA 90 N 0.84 1.29 0.16 6.16 0.00 -1.87 0.61 119.26 126.46 3a3r h ALA 90 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a3r h ALA 90 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a3r h ALA 90 CO -0.56 0.51 -0.08 0.77 0.00 0.00 0.00 179.25 179.89 3a3r h SER 91 N 0.75 -0.19 -0.40 0.00 0.02 -1.54 -1.41 113.55 110.78 3a3r h SER 91 Ca 0.17 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3a3r h SER 91 Cb 0.25 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3a3r h SER 91 CO -0.01 0.00 0.19 0.58 -1.14 0.00 0.00 176.83 176.46 3a3r h VAL 92 N -0.37 0.95 -0.66 2.27 2.07 -0.73 0.90 116.25 120.69 3a3r h VAL 92 Ca -0.02 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a3r h VAL 92 Cb 0.29 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3a3r h VAL 92 CO 0.04 0.07 0.43 0.78 0.02 0.00 0.00 177.57 178.91 3a3r h ASN 93 N 0.39 0.73 -0.38 0.57 2.35 -0.84 -1.92 115.58 116.47 3a3r h ASN 93 Ca 0.18 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 3a3r h ASN 93 Cb 0.10 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3a3r h ASN 93 CO -0.14 0.53 -0.20 0.00 -1.65 0.00 0.00 177.43 175.97 3a3r h ALA 95 N 1.00 1.50 -0.75 0.00 0.00 -0.40 -2.19 119.26 118.42 3a3r h ALA 95 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3a3r h ALA 95 Cb 0.74 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3a3r h ALA 95 CO 0.06 0.39 0.44 0.87 0.00 0.00 0.00 179.25 181.00 3a3r h LYS 96 N 1.04 1.03 -0.30 0.00 1.57 -1.23 -0.17 116.57 118.51 3a3r h LYS 96 Ca 0.37 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 3a3r h LYS 96 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3a3r h LYS 96 CO -0.13 0.74 -0.17 0.87 -0.57 0.00 0.00 179.45 180.18 3a3r h LYS 97 N 1.03 0.66 -0.35 3.15 1.57 -1.46 -2.80 116.57 118.36 3a3r h LYS 97 Ca 0.27 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3a3r h LYS 97 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3a3r h LYS 97 CO -0.05 0.89 0.16 0.82 -0.57 0.00 0.00 179.45 180.70 3a3r h ILE 98 N 0.41 0.95 0.00 1.86 2.04 -1.19 -2.75 117.51 118.84 3a3r h ILE 98 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3a3r h ILE 98 Cb 0.71 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3a3r h ILE 98 CO 0.05 0.06 0.00 0.55 0.00 0.00 0.00 178.15 178.81 3a3r n VAL 99 N -4.97 0.81 0.80 1.67 3.14 -0.09 -2.21 118.33 117.48 3a3r n VAL 99 Ca 0.01 0.20 0.11 0.00 -2.96 0.00 0.00 64.34 61.70 3a3r n VAL 99 Cb 0.10 -1.14 0.29 0.00 -1.06 0.00 0.00 33.84 32.03 3a3r n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a3r n SER 100 N -2.26 2.54 -0.14 6.55 7.64 -1.04 -3.79 113.62 123.12 3a3r n SER 100 Ca 0.02 -1.86 0.13 0.00 1.01 0.00 0.00 58.87 58.18 3a3r n SER 100 Cb 0.24 -0.17 0.69 0.00 -1.01 0.00 0.00 64.21 63.97 3a3r n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a3r n ASP 101 N 0.90 0.44 0.00 6.43 4.64 -0.94 -4.90 116.55 123.13 3a3r n ASP 101 Ca 0.17 -1.29 0.00 0.00 -1.38 0.00 0.00 54.79 52.29 3a3r n ASP 101 Cb 0.47 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.54 3a3r n ASP 101 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3a3r n GLY 102 N 0.98 1.02 0.82 0.27 0.00 -1.26 -4.94 105.19 102.07 3a3r n GLY 102 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3a3r n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a3r n ASN 103 N 0.00 3.00 0.00 1.61 3.02 -1.26 -5.08 115.26 116.54 3a3r n ASN 103 Ca 0.00 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 3a3r n ASN 103 Cb 0.00 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3a3r n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3r n GLY 104 N 0.92 2.55 0.00 7.41 0.00 -1.25 -2.58 105.19 112.23 3a3r n GLY 104 Ca 0.14 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3a3r n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a3r n MET 105 N 11.43 0.51 0.27 1.61 2.81 -1.26 -3.46 117.12 129.03 3a3r n MET 105 Ca 0.00 0.02 0.18 0.00 -1.81 0.00 0.00 57.70 56.09 3a3r n MET 105 Cb 0.00 -1.50 0.95 0.00 -0.71 0.00 0.00 33.22 31.96 3a3r n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a3r h ASN 106 N 0.00 0.00 -0.17 7.83 2.35 -1.92 -1.62 115.58 122.06 3a3r h ASN 106 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3a3r h ASN 106 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3a3r h ASN 106 CO 0.00 0.00 0.18 0.00 -1.65 0.00 0.00 177.43 175.96 3a3r h ALA 107 N 1.79 1.79 -2.39 -0.83 0.00 -1.73 -3.37 119.26 114.52 3a3r h ALA 107 Ca 0.04 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.25 3a3r h ALA 107 Cb 0.32 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.94 3a3r h ALA 107 CO -0.00 -0.27 -0.22 -1.58 0.00 0.00 0.00 179.25 177.19 3a3r s TRP 108 N -4.65 3.17 0.22 0.00 0.51 -0.61 -4.99 118.94 112.60 3a3r s TRP 108 Ca -0.05 -0.34 -0.09 0.00 -2.12 0.00 0.00 56.10 53.50 3a3r s TRP 108 Cb 0.15 -2.87 0.19 0.00 -0.81 0.00 0.00 33.47 30.13 3a3r s TRP 108 CO 0.55 -0.68 1.89 -0.24 -0.51 0.00 0.00 176.95 177.97 3a3r h VAL 109 N 5.71 1.22 0.00 4.03 3.04 -1.85 -1.96 116.25 126.43 3a3r h VAL 109 Ca -0.27 -0.41 -0.05 0.00 -1.01 0.00 0.00 66.70 64.96 3a3r h VAL 109 Cb 1.11 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 3a3r h VAL 109 CO 0.79 0.21 -0.24 0.00 -1.01 0.00 0.00 177.57 177.31 3a3r h ALA 110 N 1.30 1.32 -0.05 3.17 0.00 -1.94 -1.03 119.26 122.03 3a3r h ALA 110 Ca 0.30 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3a3r h ALA 110 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3a3r h ALA 110 CO -0.06 0.31 -0.25 2.35 0.00 0.00 0.00 179.25 181.59 3a3r h TRP 111 N 0.00 0.35 -0.77 0.00 7.01 -1.72 -1.46 115.95 119.36 3a3r h TRP 111 Ca -0.00 -0.15 0.10 0.00 2.11 0.00 0.00 58.89 60.94 3a3r h TRP 111 Cb 0.53 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.46 3a3r h TRP 111 CO 0.00 0.88 0.41 -0.09 -2.79 0.00 0.00 178.44 176.85 3a3r h ARG 112 N -0.28 0.66 0.00 2.65 2.43 -1.15 0.33 114.38 119.02 3a3r h ARG 112 Ca -0.02 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3a3r h ARG 112 Cb 0.91 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3a3r h ARG 112 CO 0.05 0.44 -1.23 -0.91 -1.51 0.00 0.00 179.97 176.81 3a3r h ASN 113 N 0.68 0.00 0.00 -3.80 2.35 -1.23 -3.38 115.58 110.20 3a3r h ASN 113 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3a3r h ASN 113 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3a3r h ASN 113 CO -0.27 0.43 -0.25 0.54 -1.65 0.00 0.00 177.43 176.23 3a3r n ARG 114 N -2.87 3.44 -0.02 0.81 1.74 -0.55 -4.90 116.66 114.31 3a3r n ARG 114 Ca -0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3a3r n ARG 114 Cb 0.76 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.67 3a3r n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a3r n LYS 116 N -3.06 1.05 -0.97 0.00 4.81 0.10 -1.15 118.16 118.94 3a3r n LYS 116 Ca -0.09 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3a3r n LYS 116 Cb 0.57 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.58 3a3r n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3r n GLY 117 N 3.42 1.04 4.00 3.14 0.00 -1.26 -4.94 105.19 110.59 3a3r n GLY 117 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3a3r n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a3r s THR 118 N -3.97 2.55 -1.30 2.61 -4.23 -0.30 -5.00 115.64 106.00 3a3r s THR 118 Ca 0.00 -0.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 3a3r s THR 118 Cb 0.00 -2.74 0.08 0.00 1.34 0.00 0.00 72.50 71.18 3a3r s THR 118 CO 0.00 0.00 1.74 -0.67 -0.54 0.00 0.00 174.62 175.15 3a3r n ASP 119 N -2.28 4.91 0.24 3.99 2.03 -1.26 -4.77 116.55 119.40 3a3r n ASP 119 Ca 0.11 -2.92 0.16 0.00 0.52 0.00 0.00 54.79 52.66 3a3r n ASP 119 Cb 0.60 -1.73 0.65 0.00 -0.72 0.00 0.00 41.12 39.91 3a3r n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a3r h VAL 120 N 5.44 0.00 0.00 5.18 -1.51 -1.90 -2.80 116.25 120.66 3a3r h VAL 120 Ca 0.45 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.50 3a3r h VAL 120 Cb 0.86 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3a3r h VAL 120 CO 1.47 0.00 -0.05 -0.61 -1.23 0.00 0.00 177.57 177.15 3a3r h GLN 121 N 0.00 0.00 -0.40 5.19 4.15 -1.87 -2.08 115.11 120.09 3a3r h GLN 121 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 3a3r h GLN 121 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3a3r h GLN 121 CO 0.00 0.05 0.34 0.00 -1.93 0.00 0.00 178.83 177.29 3a3r h ALA 122 N 1.95 2.23 0.00 3.38 0.00 -1.90 -2.12 119.26 122.80 3a3r h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a3r h ALA 122 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a3r h ALA 122 CO 0.01 -0.55 0.00 -1.49 0.00 0.00 0.00 179.25 177.22 3a3r h TRP 123 N 0.00 0.00 -0.18 0.00 4.06 -1.61 -3.02 115.95 115.20 3a3r h TRP 123 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 3a3r h TRP 123 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3a3r h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a3r n ILE 124 N -2.33 0.80 -2.13 1.49 -5.35 -0.80 -4.79 119.36 106.25 3a3r n ILE 124 Ca 0.04 -0.90 -0.41 0.00 -0.27 0.00 0.00 62.75 61.21 3a3r n ILE 124 Cb 0.34 0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 3a3r n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3r s ARG 125 N -0.92 4.37 0.00 6.28 1.70 -1.14 -2.42 118.95 126.82 3a3r s ARG 125 Ca 0.13 2.19 0.00 0.00 -0.47 0.00 0.00 55.73 57.58 3a3r s ARG 125 Cb 0.07 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.36 3a3r s ARG 125 CO 0.10 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 3a3r n GLY 126 N 1.12 2.98 3.77 3.88 0.00 -1.26 -5.00 105.19 110.69 3a3r n GLY 126 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3a3r n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3r s ARG 128 N -1.90 3.12 0.00 0.00 3.52 -1.26 -5.12 118.95 117.31 3a3r s ARG 128 Ca 0.49 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3a3r s ARG 128 Cb -0.21 -4.22 0.00 0.00 -1.56 0.00 0.00 34.95 28.96 3a3r s ARG 128 CO 0.27 -1.79 0.39 1.28 -0.81 0.00 0.00 175.30 174.63