#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a92 s VAL 2 N 0.00 5.06 0.46 3.15 1.01 -1.26 -0.39 120.40 128.44 3a92 s VAL 2 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 3a92 s VAL 2 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3a92 s VAL 2 CO 0.00 -0.27 1.03 -0.36 0.00 0.00 0.00 175.10 175.49 3a92 s PHE 3 N 1.65 3.09 0.61 5.22 0.40 -0.09 -4.99 117.98 123.86 3a92 s PHE 3 Ca 0.04 1.59 -0.15 0.00 -0.60 0.00 0.00 56.93 57.82 3a92 s PHE 3 Cb -0.19 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.27 3a92 s PHE 3 CO 0.09 -0.69 1.06 0.20 0.70 0.00 0.00 175.22 176.58 3a92 s GLY 4 N -1.94 2.05 0.11 4.36 0.00 -1.26 -4.84 107.32 105.79 3a92 s GLY 4 Ca 0.65 0.34 -0.32 0.00 0.00 0.00 0.00 44.72 45.38 3a92 s GLY 4 CO 0.20 0.65 1.58 -0.09 0.00 0.00 0.00 173.10 175.44 3a92 h ARG 5 N 0.26 -0.70 -0.07 2.90 2.43 -1.97 0.44 114.38 117.68 3a92 h ARG 5 Ca -0.46 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.67 3a92 h ARG 5 Cb 1.22 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3a92 h ARG 5 CO 0.57 -0.47 -0.37 0.00 -1.51 0.00 0.00 179.97 178.20 3a92 h GLU 7 N 0.12 0.59 -0.48 0.00 4.81 -1.87 -1.11 114.58 116.63 3a92 h GLU 7 Ca 0.01 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3a92 h GLU 7 Cb 0.71 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3a92 h GLU 7 CO 0.05 0.48 -0.12 1.25 -0.73 0.00 0.00 179.01 179.94 3a92 h LEU 8 N 0.55 0.94 -0.60 1.64 5.85 -0.65 -1.79 115.31 121.25 3a92 h LEU 8 Ca 0.15 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3a92 h LEU 8 Cb 0.06 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3a92 h LEU 8 CO -0.02 1.09 0.28 0.00 -0.34 0.00 0.00 178.44 179.45 3a92 h ALA 9 N 0.89 0.78 -0.54 1.25 0.00 -1.03 0.74 119.26 121.35 3a92 h ALA 9 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3a92 h ALA 9 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3a92 h ALA 9 CO 0.05 -0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.34 3a92 h ALA 10 N 1.35 0.71 -0.62 0.00 0.00 -1.06 -0.88 119.26 118.77 3a92 h ALA 10 Ca 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3a92 h ALA 10 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a92 h ALA 10 CO -0.22 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.52 3a92 h ALA 11 N 1.01 0.82 -0.72 0.00 0.00 -0.88 -1.34 119.26 118.16 3a92 h ALA 11 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3a92 h ALA 11 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3a92 h ALA 11 CO 0.00 0.59 0.25 0.52 0.00 0.00 0.00 179.25 180.61 3a92 h MET 12 N 0.94 1.10 -0.26 0.00 2.86 -0.69 -2.30 114.93 116.56 3a92 h MET 12 Ca 0.19 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3a92 h MET 12 Cb 0.45 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3a92 h MET 12 CO 0.01 0.92 0.09 -0.22 1.06 0.00 0.00 176.91 178.77 3a92 h LYS 13 N 1.04 0.41 -0.27 1.72 3.64 -1.01 -1.60 116.57 120.50 3a92 h LYS 13 Ca 0.23 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3a92 h LYS 13 Cb 0.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3a92 h LYS 13 CO -0.01 0.47 0.17 -0.09 -2.27 0.00 0.00 179.45 177.72 3a92 h ARG 14 N 0.26 0.36 -0.21 1.90 2.43 -1.09 -1.24 114.38 116.79 3a92 h ARG 14 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a92 h ARG 14 Cb 0.23 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3a92 h ARG 14 CO -0.00 0.25 0.00 0.72 -1.51 0.00 0.00 179.97 179.42 3a92 n HIS 15 N -4.49 0.28 -0.73 2.20 8.25 -0.88 -4.93 115.22 114.92 3a92 n HIS 15 Ca 0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3a92 n HIS 15 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3a92 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a92 n GLY 16 N 1.04 0.65 0.17 -1.41 0.00 -0.47 -4.96 105.19 100.22 3a92 n GLY 16 Ca 0.13 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.57 3a92 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a92 h LEU 17 N 0.00 0.00 -9.10 0.99 3.38 -1.49 -3.40 115.31 105.69 3a92 h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3a92 h LEU 17 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3a92 h LEU 17 CO 0.00 0.09 1.31 -0.62 0.09 0.00 0.00 178.44 179.31 3a92 s ASP 18 N -5.91 6.01 -1.04 -0.43 3.68 -1.26 -1.49 116.67 116.22 3a92 s ASP 18 Ca 0.03 2.03 0.00 0.00 2.13 0.00 0.00 52.55 56.75 3a92 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 3a92 s ASP 18 CO 0.73 -1.50 0.00 0.59 0.13 0.00 0.00 175.17 175.12 3a92 n ASN 19 N 9.55 -4.65 -4.71 -0.34 4.13 -0.15 -4.88 115.26 114.20 3a92 n ASN 19 Ca 0.24 0.24 -0.42 0.00 1.68 0.00 0.00 54.58 56.32 3a92 n ASN 19 Cb 0.44 -3.02 -0.03 0.00 -1.54 0.00 0.00 39.78 35.63 3a92 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3a92 s TYR 20 N -2.21 3.00 -1.07 3.10 5.04 -0.56 -1.03 117.35 123.63 3a92 s TYR 20 Ca 0.00 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3a92 s TYR 20 Cb 0.00 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.47 3a92 s TYR 20 CO 0.00 -3.12 0.00 0.54 -1.34 0.00 0.00 175.55 171.63 3a92 n ARG 21 N 4.30 -1.94 -0.72 4.97 5.12 -1.26 -1.75 116.66 125.39 3a92 n ARG 21 Ca 0.13 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 3a92 n ARG 21 Cb 0.40 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.63 3a92 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a92 n GLY 22 N -0.60 0.72 3.50 -0.13 0.00 -0.19 -5.03 105.19 103.46 3a92 n GLY 22 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3a92 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a92 s TYR 23 N -2.53 3.20 0.86 1.61 2.02 -0.72 -4.87 117.35 116.92 3a92 s TYR 23 Ca 0.00 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3a92 s TYR 23 Cb 0.00 -2.74 0.09 0.00 -0.40 0.00 0.00 41.96 38.91 3a92 s TYR 23 CO 0.00 -0.59 1.07 -1.13 -1.57 0.00 0.00 175.55 173.33 3a92 n SER 24 N 5.42 0.37 -0.34 2.29 3.41 -1.26 -0.98 113.62 122.52 3a92 n SER 24 Ca -0.09 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3a92 n SER 24 Cb 0.48 -1.45 0.29 0.00 -0.26 0.00 0.00 64.21 63.26 3a92 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3a92 h LEU 25 N -1.28 0.73 -1.56 1.04 5.85 -1.90 -0.68 115.31 117.51 3a92 h LEU 25 Ca -0.45 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3a92 h LEU 25 Cb 1.29 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3a92 h LEU 25 CO 0.43 0.28 0.44 1.23 -0.34 0.00 0.00 178.44 180.48 3a92 h GLY 26 N 0.75 0.71 0.99 3.75 0.00 -1.91 -1.42 103.07 105.94 3a92 h GLY 26 Ca 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3a92 h GLY 26 CO -0.37 0.12 0.34 3.43 0.00 0.00 0.00 176.54 180.06 3a92 h ASN 27 N 0.50 0.75 -0.36 0.19 2.35 -1.34 -0.56 115.58 117.11 3a92 h ASN 27 Ca 0.30 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3a92 h ASN 27 Cb 0.53 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3a92 h ASN 27 CO -0.09 0.63 -0.13 -0.50 -1.65 0.00 0.00 177.43 175.69 3a92 h TRP 28 N 0.82 0.83 -0.38 1.19 4.06 -1.36 -1.17 115.95 119.93 3a92 h TRP 28 Ca 0.21 -0.19 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 3a92 h TRP 28 Cb 0.04 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3a92 h TRP 28 CO -0.01 0.90 0.11 0.28 -3.56 0.00 0.00 178.44 176.16 3a92 h VAL 29 N 0.52 1.22 -0.62 1.49 2.07 -1.23 -1.61 116.25 118.08 3a92 h VAL 29 Ca 0.09 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3a92 h VAL 29 Cb 0.65 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3a92 h VAL 29 CO 0.04 0.25 0.40 0.00 0.02 0.00 0.00 177.57 178.29 3a92 h ALA 31 N 1.22 0.71 -0.41 0.00 0.00 -1.04 -2.46 119.26 117.28 3a92 h ALA 31 Ca 0.23 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3a92 h ALA 31 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3a92 h ALA 31 CO -0.05 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.31 3a92 h ALA 32 N 1.15 1.03 -0.18 0.00 0.00 -0.92 0.55 119.26 120.89 3a92 h ALA 32 Ca 0.20 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a92 h ALA 32 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3a92 h ALA 32 CO -0.03 0.59 -0.03 -0.22 0.00 0.00 0.00 179.25 179.55 3a92 h LYS 33 N 0.67 0.01 0.00 0.00 1.63 -0.60 -0.97 116.57 117.31 3a92 h LYS 33 Ca 0.11 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 3a92 h LYS 33 Cb 0.57 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3a92 h LYS 33 CO 0.04 0.01 -0.67 0.74 -3.45 0.00 0.00 179.45 176.11 3a92 h PHE 34 N 0.01 0.00 -0.03 1.91 0.04 -1.24 0.78 116.94 118.41 3a92 h PHE 34 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 3a92 h PHE 34 Cb 0.12 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.28 3a92 h PHE 34 CO -0.19 0.13 -0.48 0.93 -0.60 0.00 0.00 178.31 178.10 3a92 h GLU 35 N 0.00 0.38 0.00 1.51 4.39 -0.79 -3.42 114.58 116.64 3a92 h GLU 35 Ca -0.02 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3a92 h GLU 35 Cb 1.12 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3a92 h GLU 35 CO 0.01 1.03 0.00 -1.13 -1.16 0.00 0.00 179.01 177.76 3a92 n SER 36 N -4.30 0.19 -2.99 1.42 3.41 -0.39 -4.83 113.62 106.12 3a92 n SER 36 Ca -0.09 -0.70 -0.21 0.00 -0.26 0.00 0.00 58.87 57.60 3a92 n SER 36 Cb 0.60 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.66 3a92 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a92 n ASN 37 N -0.10 -4.84 -0.53 4.04 5.15 0.27 -1.93 115.26 117.32 3a92 n ASN 37 Ca 0.00 -0.21 -0.07 0.00 -0.60 0.00 0.00 54.58 53.70 3a92 n ASN 37 Cb 0.12 -3.98 -0.03 0.00 -0.53 0.00 0.00 39.78 35.36 3a92 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a92 n PHE 38 N -4.06 0.00 -3.34 1.20 3.72 -1.20 -4.83 117.46 108.96 3a92 n PHE 38 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 3a92 n PHE 38 Cb 0.60 -1.68 -0.09 0.00 -0.94 0.00 0.00 39.48 37.37 3a92 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a92 s ASN 39 N -2.57 6.23 0.57 4.37 3.84 -0.81 -0.91 114.94 125.66 3a92 s ASN 39 Ca 0.00 -0.20 0.31 0.00 0.21 0.00 0.00 52.86 53.17 3a92 s ASN 39 Cb 0.00 -2.22 1.75 0.00 -0.55 0.00 0.00 41.25 40.22 3a92 s ASN 39 CO 0.00 -0.41 2.20 0.71 -2.79 0.00 0.00 177.10 176.81 3a92 h THR 40 N 5.58 0.47 -0.10 -5.21 1.35 -1.03 -2.66 112.91 111.31 3a92 h THR 40 Ca -0.29 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3a92 h THR 40 Cb 1.13 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3a92 h THR 40 CO 0.73 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 3a92 n GLN 41 N -3.67 1.69 -1.73 4.72 6.02 -1.26 -4.00 117.38 119.16 3a92 n GLN 41 Ca -0.02 -1.03 -0.42 0.00 -0.01 0.00 0.00 57.00 55.52 3a92 n GLN 41 Cb 0.14 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 3a92 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a92 n ALA 42 N 0.24 2.53 -2.83 -1.58 0.00 -1.00 -4.81 120.51 113.06 3a92 n ALA 42 Ca 0.17 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 3a92 n ALA 42 Cb 0.34 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.19 3a92 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a92 s THR 43 N 0.48 0.48 -0.11 0.00 -4.23 -1.26 -0.64 115.64 110.35 3a92 s THR 43 Ca 0.69 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 3a92 s THR 43 Cb -0.52 -0.51 0.05 0.00 1.34 0.00 0.00 72.50 72.86 3a92 s THR 43 CO 0.42 -0.22 0.27 0.21 -0.54 0.00 0.00 174.62 174.76 3a92 s ASN 44 N -1.09 -0.31 0.09 3.99 2.47 -0.65 -4.97 114.94 114.47 3a92 s ASN 44 Ca -0.06 0.58 -0.29 0.00 0.42 0.00 0.00 52.86 53.51 3a92 s ASN 44 Cb -0.07 0.48 -0.06 0.00 -1.45 0.00 0.00 41.25 40.15 3a92 s ASN 44 CO 0.00 -0.16 0.91 -0.60 -3.72 0.00 0.00 177.10 173.53 3a92 s ARG 45 N 1.17 4.64 0.41 0.43 6.06 -1.26 -0.56 118.95 129.85 3a92 s ARG 45 Ca -0.08 1.36 -0.02 0.00 -2.50 0.00 0.00 55.73 54.49 3a92 s ARG 45 Cb -0.09 -3.38 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 3a92 s ARG 45 CO -0.08 0.22 0.65 -0.80 -2.50 0.00 0.00 175.30 172.79 3a92 s ASN 46 N 0.03 6.19 0.41 -2.12 0.01 0.49 -4.96 114.94 114.99 3a92 s ASN 46 Ca 0.45 0.58 0.09 0.00 -0.71 0.00 0.00 52.86 53.27 3a92 s ASN 46 Cb -0.23 -2.01 0.89 0.00 0.41 0.00 0.00 41.25 40.31 3a92 s ASN 46 CO 0.28 -0.47 2.02 0.71 -1.51 0.00 0.00 177.10 178.13 3a92 h THR 47 N 0.50 1.03 0.00 1.60 1.35 -1.97 -1.86 112.91 113.55 3a92 h THR 47 Ca -0.48 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3a92 h THR 47 Cb 1.22 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3a92 h THR 47 CO 0.61 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 3a92 n ASP 48 N -4.47 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.06 3a92 n ASP 48 Ca 0.06 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3a92 n ASP 48 Cb 0.17 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3a92 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a92 n GLY 49 N 0.88 0.65 3.78 6.12 0.00 -0.70 -5.00 105.19 110.92 3a92 n GLY 49 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3a92 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a92 s SER 50 N -2.26 3.60 0.03 1.61 1.04 -1.26 -4.76 113.70 111.70 3a92 s SER 50 Ca 0.00 1.04 0.03 0.00 0.48 0.00 0.00 55.95 57.50 3a92 s SER 50 Cb 0.00 -1.65 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 3a92 s SER 50 CO 0.00 -2.50 -0.09 -0.89 0.98 0.00 0.00 173.24 170.74 3a92 s THR 51 N -3.23 0.71 -0.12 2.02 2.01 -1.26 -0.38 115.64 115.38 3a92 s THR 51 Ca 0.63 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 3a92 s THR 51 Cb -0.15 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3a92 s THR 51 CO 0.54 -0.09 0.10 -1.81 -0.69 0.00 0.00 174.62 172.67 3a92 s ASP 52 N -0.97 6.04 -0.05 3.53 1.01 0.28 -1.01 116.67 125.50 3a92 s ASP 52 Ca -0.02 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.61 3a92 s ASP 52 Cb -0.07 -1.93 0.01 0.00 1.01 0.00 0.00 42.92 41.94 3a92 s ASP 52 CO 0.00 0.36 -0.12 -0.31 0.21 0.00 0.00 175.17 175.32 3a92 s TYR 53 N -0.75 1.33 0.00 4.23 1.51 0.20 -1.64 117.35 122.23 3a92 s TYR 53 Ca 0.13 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3a92 s TYR 53 Cb -0.12 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 3a92 s TYR 53 CO 0.03 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 3a92 n GLY 54 N 3.49 -1.89 0.26 0.71 0.00 0.19 -1.41 105.19 106.53 3a92 n GLY 54 Ca -0.20 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.18 3a92 n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a92 h ILE 55 N 0.00 0.99 -0.26 -0.61 3.07 -1.72 -1.66 117.51 117.32 3a92 h ILE 55 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3a92 h ILE 55 Cb 0.00 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 3a92 h ILE 55 CO 0.00 0.02 0.00 0.18 -1.05 0.00 0.00 178.15 177.30 3a92 n LEU 56 N -4.49 3.24 -3.82 0.16 4.77 -1.26 -3.97 117.00 111.62 3a92 n LEU 56 Ca -0.03 -2.50 -0.28 0.00 -0.03 0.00 0.00 56.01 53.17 3a92 n LEU 56 Cb 0.10 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3a92 n LEU 56 CO 0.34 0.69 -0.15 0.00 -1.33 0.00 0.00 177.39 176.93 3a92 n GLN 57 N -0.12 -2.62 -2.56 3.23 1.13 -0.62 -4.90 117.38 110.92 3a92 n GLN 57 Ca 0.15 0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 3a92 n GLN 57 Cb 0.63 -4.40 -0.04 0.00 0.11 0.00 0.00 30.24 26.54 3a92 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a92 s ILE 58 N -3.73 4.17 -0.00 5.09 1.01 -0.50 -4.32 121.20 122.91 3a92 s ILE 58 Ca 0.19 1.73 -0.21 0.00 0.00 0.00 0.00 60.65 62.36 3a92 s ILE 58 Cb -0.07 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3a92 s ILE 58 CO 0.87 0.23 0.61 0.21 0.00 0.00 0.00 174.94 176.86 3a92 s ASN 59 N 0.35 6.99 0.16 3.58 3.84 -1.26 -0.63 114.94 127.97 3a92 s ASN 59 Ca 0.51 1.18 0.20 0.00 0.21 0.00 0.00 52.86 54.97 3a92 s ASN 59 Cb -0.27 -2.37 0.85 0.00 -0.55 0.00 0.00 41.25 38.91 3a92 s ASN 59 CO 0.32 0.09 1.63 -1.54 -2.79 0.00 0.00 177.10 174.81 3a92 n SER 60 N 2.74 0.42 -0.25 -4.21 3.41 -0.18 -1.87 113.62 113.68 3a92 n SER 60 Ca -0.06 0.60 -0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3a92 n SER 60 Cb 0.51 -0.69 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 3a92 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a92 h ARG 61 N 0.00 1.06 0.00 4.33 9.65 -1.83 -3.38 114.38 124.20 3a92 h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3a92 h ARG 61 Cb 0.34 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3a92 h ARG 61 CO 0.00 0.72 -0.77 0.91 2.80 0.00 0.00 179.97 183.62 3a92 n TRP 62 N -4.40 0.00 -0.04 2.20 7.02 -1.20 -1.55 117.44 119.48 3a92 n TRP 62 Ca 0.09 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.55 3a92 n TRP 62 Cb 0.04 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.84 3a92 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a92 n TRP 63 N -1.77 0.00 -4.00 -5.99 7.02 -0.78 -0.84 117.44 111.08 3a92 n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3a92 n TRP 63 Cb 0.39 -0.49 -0.09 0.00 -2.42 0.00 0.00 31.31 28.70 3a92 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a92 s ASN 65 N -2.91 6.20 0.00 0.00 3.04 -0.21 -4.57 114.94 116.49 3a92 s ASN 65 Ca 0.09 0.22 0.01 0.00 0.04 0.00 0.00 52.86 53.21 3a92 s ASN 65 Cb 0.06 -2.16 0.01 0.00 -1.54 0.00 0.00 41.25 37.63 3a92 s ASN 65 CO -0.08 -0.04 0.70 -0.90 -3.04 0.00 0.00 177.10 173.74 3a92 n ASP 66 N 4.68 1.43 0.00 -4.21 5.68 -1.26 -0.57 116.55 122.30 3a92 n ASP 66 Ca -0.12 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3a92 n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3a92 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a92 n GLY 67 N -0.12 0.74 1.17 6.12 0.00 -1.26 -4.81 105.19 107.03 3a92 n GLY 67 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3a92 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a92 n ARG 68 N -2.00 0.27 -3.80 1.61 1.85 -1.26 -4.96 116.66 108.38 3a92 n ARG 68 Ca 0.00 -2.06 -0.29 0.00 -1.00 0.00 0.00 57.85 54.50 3a92 n ARG 68 Cb 0.00 -0.36 -0.13 0.00 -1.05 0.00 0.00 32.46 30.92 3a92 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a92 s THR 69 N -0.57 1.95 0.29 8.89 2.01 -1.26 -4.84 115.64 122.10 3a92 s THR 69 Ca 0.29 -3.08 -0.30 0.00 0.31 0.00 0.00 61.69 58.91 3a92 s THR 69 Cb 0.33 -2.34 -0.12 0.00 0.01 0.00 0.00 72.50 70.37 3a92 s THR 69 CO -0.12 -0.91 1.46 -2.65 -0.69 0.00 0.00 174.62 171.71 3a92 n PRO 70 N 3.10 2.35 -1.00 4.92 -0.02 -1.26 -2.18 135.00 140.91 3a92 n PRO 70 Ca 0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3a92 n PRO 70 Cb 0.35 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3a92 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a92 n GLY 71 N 1.80 0.99 3.87 -1.23 0.00 -1.26 -5.00 105.19 104.36 3a92 n GLY 71 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3a92 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a92 s SER 72 N -2.98 4.30 0.51 1.61 1.04 -0.93 -5.07 113.70 112.19 3a92 s SER 72 Ca 0.00 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.31 3a92 s SER 72 Cb 0.00 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.78 3a92 s SER 72 CO 0.00 -2.04 0.26 -0.13 0.98 0.00 0.00 173.24 172.31 3a92 s ARG 73 N -5.51 2.24 -0.38 4.02 1.81 -0.59 -5.00 118.95 115.55 3a92 s ARG 73 Ca 0.62 -2.08 0.10 0.00 -1.72 0.00 0.00 55.73 52.65 3a92 s ARG 73 Cb -0.12 -1.94 0.30 0.00 -0.45 0.00 0.00 34.95 32.75 3a92 s ARG 73 CO 0.50 -0.46 0.63 -1.71 -0.68 0.00 0.00 175.30 173.58 3a92 n ASN 74 N -1.55 0.52 0.25 0.23 5.15 -1.17 -3.74 115.26 114.95 3a92 n ASN 74 Ca -0.06 -2.86 0.12 0.00 -0.60 0.00 0.00 54.58 51.19 3a92 n ASN 74 Cb 0.65 -0.63 0.63 0.00 -0.53 0.00 0.00 39.78 39.90 3a92 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a92 h LEU 75 N 3.49 0.00 -0.54 1.20 3.38 -0.99 -1.25 115.31 120.60 3a92 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a92 h LEU 75 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3a92 h LEU 75 CO 0.48 0.15 -0.09 0.00 0.09 0.00 0.00 178.44 179.07 3a92 n ASN 77 N -0.46 -1.31 -3.86 0.00 5.15 -0.47 -4.98 115.26 109.33 3a92 n ASN 77 Ca 0.17 -0.80 -0.11 0.00 -0.60 0.00 0.00 54.58 53.24 3a92 n ASN 77 Cb 0.30 -4.18 -0.10 0.00 -0.53 0.00 0.00 39.78 35.28 3a92 n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3a92 s ILE 78 N -3.63 0.08 0.37 -1.44 -4.36 -1.26 -5.07 121.20 105.89 3a92 s ILE 78 Ca 0.01 -0.68 -0.27 0.00 -0.26 0.00 0.00 60.65 59.46 3a92 s ILE 78 Cb -0.01 -0.45 -0.09 0.00 1.25 0.00 0.00 42.46 43.16 3a92 s ILE 78 CO 0.80 -0.37 1.23 -2.16 0.24 0.00 0.00 174.94 174.68 3a92 s PRO 79 N -1.39 4.18 0.52 0.37 0.04 -1.26 -1.04 135.00 136.42 3a92 s PRO 79 Ca -0.15 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.11 3a92 s PRO 79 Cb -0.07 -2.86 1.31 0.00 0.04 0.00 0.00 34.50 32.91 3a92 s PRO 79 CO 0.02 -0.27 2.06 0.00 0.04 0.00 0.00 177.00 178.85 3a92 h SER 81 N 0.04 0.00 0.28 0.00 4.64 -1.91 -0.83 113.55 115.77 3a92 h SER 81 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3a92 h SER 81 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3a92 h SER 81 CO -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.88 3a92 h ALA 82 N 1.97 1.29 0.00 5.18 0.00 -1.54 -1.20 119.26 124.96 3a92 h ALA 82 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a92 h ALA 82 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a92 h ALA 82 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 3a92 n LEU 83 N -3.60 0.00 -0.67 0.00 4.77 -0.32 -3.28 117.00 113.91 3a92 n LEU 83 Ca -0.02 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.20 3a92 n LEU 83 Cb 0.19 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3a92 n LEU 83 CO 0.28 -0.01 0.47 0.18 -1.33 0.00 0.00 177.39 176.98 3a92 n LEU 84 N -1.14 2.37 -4.73 2.23 4.77 -0.45 -3.85 117.00 116.19 3a92 n LEU 84 Ca 0.18 -0.92 -0.36 0.00 -0.03 0.00 0.00 56.01 54.88 3a92 n LEU 84 Cb 0.16 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3a92 n LEU 84 CO 0.19 0.42 0.86 -0.55 -1.33 0.00 0.00 177.39 176.98 3a92 s SER 85 N -1.83 4.54 0.50 -1.43 0.15 -1.20 -4.15 113.70 110.28 3a92 s SER 85 Ca 0.21 2.50 0.25 0.00 0.70 0.00 0.00 55.95 59.60 3a92 s SER 85 Cb 0.16 -2.61 1.35 0.00 -1.71 0.00 0.00 66.02 63.21 3a92 s SER 85 CO 0.33 -2.04 2.04 0.77 1.20 0.00 0.00 173.24 175.54 3a92 h SER 86 N 0.30 0.00 -3.34 5.45 4.64 -1.94 -3.40 113.55 115.26 3a92 h SER 86 Ca -0.50 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 3a92 h SER 86 Cb 1.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 3a92 h SER 86 CO 0.52 0.14 0.39 -0.62 -0.87 0.00 0.00 176.83 176.39 3a92 s ASP 87 N -6.29 6.76 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.81 3a92 s ASP 87 Ca -0.03 0.93 0.23 0.00 -0.52 0.00 0.00 52.55 53.16 3a92 s ASP 87 Cb 0.13 -2.41 1.09 0.00 -1.46 0.00 0.00 42.92 40.27 3a92 s ASP 87 CO 0.61 -0.49 1.74 2.30 0.52 0.00 0.00 175.17 179.84 3a92 n ILE 88 N 5.26 0.08 -0.15 4.11 -5.35 -1.26 -4.39 119.36 117.66 3a92 n ILE 88 Ca 0.04 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 3a92 n ILE 88 Cb 0.48 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3a92 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a92 h THR 89 N 1.24 0.27 -0.75 7.28 2.02 -1.94 0.17 112.91 121.19 3a92 h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3a92 h THR 89 Cb 0.27 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3a92 h THR 89 CO 0.00 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.24 3a92 h ALA 90 N 0.99 0.97 -0.57 6.16 0.00 -1.84 -0.02 119.26 124.95 3a92 h ALA 90 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3a92 h ALA 90 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3a92 h ALA 90 CO -0.57 0.54 0.19 0.77 0.00 0.00 0.00 179.25 180.18 3a92 h SER 91 N 1.06 0.81 -0.14 0.00 0.02 -1.65 -1.66 113.55 111.99 3a92 h SER 91 Ca 0.26 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3a92 h SER 91 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3a92 h SER 91 CO -0.03 0.79 0.03 0.58 -1.14 0.00 0.00 176.83 177.06 3a92 h VAL 92 N 0.79 1.20 -0.94 2.27 2.07 -0.55 0.29 116.25 121.38 3a92 h VAL 92 Ca 0.18 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3a92 h VAL 92 Cb 0.26 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3a92 h VAL 92 CO -0.01 0.19 0.58 0.78 0.02 0.00 0.00 177.57 179.13 3a92 h ASN 93 N 0.03 1.13 -0.25 0.57 2.35 -0.94 -0.86 115.58 117.61 3a92 h ASN 93 Ca 0.05 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3a92 h ASN 93 Cb 0.26 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3a92 h ASN 93 CO 0.00 0.86 -0.42 0.00 -1.65 0.00 0.00 177.43 176.22 3a92 h ALA 95 N 0.65 1.73 -0.92 0.00 0.00 -0.50 -0.66 119.26 119.57 3a92 h ALA 95 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a92 h ALA 95 Cb 1.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3a92 h ALA 95 CO 0.10 0.04 0.54 0.87 0.00 0.00 0.00 179.25 180.80 3a92 h LYS 96 N 0.79 1.25 -0.34 0.00 1.57 -1.06 -0.51 116.57 118.26 3a92 h LYS 96 Ca 0.44 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3a92 h LYS 96 Cb 0.59 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3a92 h LYS 96 CO -0.20 0.88 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.31 3a92 h LYS 97 N 1.27 0.62 0.01 3.15 3.64 -1.14 -2.77 116.57 121.34 3a92 h LYS 97 Ca 0.33 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3a92 h LYS 97 Cb -0.04 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3a92 h LYS 97 CO -0.06 0.76 -0.01 0.82 -2.27 0.00 0.00 179.45 178.69 3a92 h ILE 98 N 0.41 1.00 0.00 2.00 2.04 -0.82 -2.46 117.51 119.68 3a92 h ILE 98 Ca 0.09 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3a92 h ILE 98 Cb 0.50 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3a92 h ILE 98 CO 0.02 0.01 0.00 0.55 0.00 0.00 0.00 178.15 178.73 3a92 n VAL 99 N -5.09 0.89 1.30 1.67 3.14 -0.23 -1.55 118.33 118.46 3a92 n VAL 99 Ca -0.07 0.33 0.13 0.00 -2.96 0.00 0.00 64.34 61.77 3a92 n VAL 99 Cb 0.04 -1.26 0.36 0.00 -1.06 0.00 0.00 33.84 31.92 3a92 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a92 n SER 100 N -2.21 1.74 0.14 6.55 7.64 -0.94 -3.74 113.62 122.80 3a92 n SER 100 Ca 0.01 -1.46 0.13 0.00 1.01 0.00 0.00 58.87 58.56 3a92 n SER 100 Cb 0.19 0.07 0.46 0.00 -1.01 0.00 0.00 64.21 63.92 3a92 n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3a92 h ASP 101 N 2.57 0.00 0.00 6.43 3.58 -1.11 -3.47 116.42 124.43 3a92 h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3a92 h ASP 101 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3a92 h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 3a92 n GLY 102 N 0.56 1.73 1.04 -0.78 0.00 -1.26 -4.97 105.19 101.51 3a92 n GLY 102 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3a92 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a92 n ASN 103 N 0.00 3.84 0.00 1.61 3.02 -1.26 -5.06 115.26 117.41 3a92 n ASN 103 Ca 0.00 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 3a92 n ASN 103 Cb 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3a92 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a92 n GLY 104 N 0.42 2.26 0.00 7.41 0.00 -1.25 -1.91 105.19 112.12 3a92 n GLY 104 Ca 0.19 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3a92 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a92 n MET 105 N 10.52 0.51 0.15 1.61 2.81 -1.26 -2.85 117.12 128.60 3a92 n MET 105 Ca 0.00 0.03 0.11 0.00 -1.81 0.00 0.00 57.70 56.04 3a92 n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 3a92 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a92 n ASN 106 N -1.19 0.60 -0.03 7.83 3.02 -0.80 -1.14 115.26 123.55 3a92 n ASN 106 Ca 0.14 0.72 0.18 0.00 -0.03 0.00 0.00 54.58 55.60 3a92 n ASN 106 Cb 0.16 -0.82 0.63 0.00 -0.61 0.00 0.00 39.78 39.14 3a92 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a92 h ALA 107 N 2.10 2.36 -2.14 5.41 0.00 -1.68 -3.34 119.26 121.98 3a92 h ALA 107 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 3a92 h ALA 107 Cb 0.15 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.75 3a92 h ALA 107 CO 0.00 -0.52 -0.03 -1.58 0.00 0.00 0.00 179.25 177.12 3a92 s TRP 108 N -5.13 3.09 0.28 0.00 0.51 -0.29 -4.94 118.94 112.46 3a92 s TRP 108 Ca -0.06 -0.60 -0.02 0.00 -2.12 0.00 0.00 56.10 53.30 3a92 s TRP 108 Cb 0.20 -3.45 0.43 0.00 -0.81 0.00 0.00 33.47 29.84 3a92 s TRP 108 CO 0.74 -0.98 1.90 0.28 -0.51 0.00 0.00 176.95 178.39 3a92 h VAL 109 N 5.84 1.11 -0.28 4.03 2.07 -1.83 -0.78 116.25 126.40 3a92 h VAL 109 Ca -0.28 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3a92 h VAL 109 Cb 1.10 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3a92 h VAL 109 CO 0.94 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 178.69 3a92 h ALA 110 N 1.46 1.39 -0.20 1.67 0.00 -1.93 0.05 119.26 121.70 3a92 h ALA 110 Ca 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a92 h ALA 110 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a92 h ALA 110 CO -0.14 0.42 0.04 2.35 0.00 0.00 0.00 179.25 181.92 3a92 h TRP 111 N 0.42 0.35 -0.57 0.00 7.01 -1.46 -0.30 115.95 121.39 3a92 h TRP 111 Ca 0.09 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.06 3a92 h TRP 111 Cb 0.36 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.29 3a92 h TRP 111 CO 0.01 0.46 0.37 -0.09 -2.79 0.00 0.00 178.44 176.40 3a92 h ARG 112 N 0.13 0.72 0.00 2.65 2.43 -0.89 0.27 114.38 119.70 3a92 h ARG 112 Ca 0.06 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3a92 h ARG 112 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3a92 h ARG 112 CO 0.00 0.48 -0.35 -0.91 -1.51 0.00 0.00 179.97 177.68 3a92 h ASN 113 N 0.74 0.00 0.00 -3.80 2.35 -0.95 -3.36 115.58 110.56 3a92 h ASN 113 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3a92 h ASN 113 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3a92 h ASN 113 CO -0.07 0.30 -0.42 0.54 -1.65 0.00 0.00 177.43 176.13 3a92 n ARG 114 N -3.15 2.95 -0.03 0.81 1.74 -0.13 -4.89 116.66 113.96 3a92 n ARG 114 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 3a92 n ARG 114 Cb 0.65 -0.65 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3a92 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a92 n LYS 116 N -2.94 1.44 -0.06 0.00 4.81 0.72 -1.23 118.16 120.90 3a92 n LYS 116 Ca -0.10 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3a92 n LYS 116 Cb 0.59 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3a92 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a92 n GLY 117 N 3.37 2.29 3.97 3.14 0.00 -1.26 -4.96 105.19 111.73 3a92 n GLY 117 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3a92 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a92 s THR 118 N -2.86 2.25 -1.30 2.61 -4.23 -0.36 -4.96 115.64 106.78 3a92 s THR 118 Ca 0.00 -0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.89 3a92 s THR 118 Cb 0.00 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 71.07 3a92 s THR 118 CO 0.00 0.00 1.93 -0.67 -0.54 0.00 0.00 174.62 175.34 3a92 n ASP 119 N -2.90 4.23 0.29 3.99 2.03 -1.26 -4.76 116.55 118.17 3a92 n ASP 119 Ca 0.12 -2.85 0.18 0.00 0.52 0.00 0.00 54.79 52.75 3a92 n ASP 119 Cb 0.60 -1.67 0.79 0.00 -0.72 0.00 0.00 41.12 40.12 3a92 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a92 h VAL 120 N 5.04 0.07 0.00 5.18 -1.51 -1.90 -2.50 116.25 120.63 3a92 h VAL 120 Ca 0.46 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 65.49 3a92 h VAL 120 Cb 0.79 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3a92 h VAL 120 CO 1.61 0.02 -0.03 -0.61 -1.23 0.00 0.00 177.57 177.34 3a92 h GLN 121 N 0.00 0.00 -0.61 5.19 -0.00 -1.88 -1.51 115.11 116.30 3a92 h GLN 121 Ca -0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.80 3a92 h GLN 121 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.85 3a92 h GLN 121 CO 0.00 0.03 0.43 0.00 0.00 0.00 0.00 178.83 179.29 3a92 h ALA 122 N 1.97 2.38 0.00 3.38 0.00 -1.84 -1.13 119.26 124.03 3a92 h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a92 h ALA 122 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a92 h ALA 122 CO 0.00 -0.55 0.00 -1.49 0.00 0.00 0.00 179.25 177.21 3a92 h TRP 123 N 0.14 0.00 -0.06 0.00 4.06 -1.49 -2.68 115.95 115.91 3a92 h TRP 123 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 3a92 h TRP 123 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 3a92 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a92 n ILE 124 N -2.81 0.63 -1.84 1.49 -5.35 -0.46 -4.79 119.36 106.24 3a92 n ILE 124 Ca 0.00 -0.82 -0.42 0.00 -0.27 0.00 0.00 62.75 61.25 3a92 n ILE 124 Cb 0.22 0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 38.81 3a92 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a92 s ARG 125 N -0.73 4.16 0.00 6.28 1.81 -1.01 -2.31 118.95 127.16 3a92 s ARG 125 Ca 0.06 2.50 0.00 0.00 -1.72 0.00 0.00 55.73 56.56 3a92 s ARG 125 Cb 0.03 -3.07 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 3a92 s ARG 125 CO 0.04 -0.61 0.00 0.41 -0.68 0.00 0.00 175.30 174.46 3a92 n GLY 126 N 2.80 2.65 3.74 -3.53 0.00 -1.26 -5.02 105.19 104.57 3a92 n GLY 126 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3a92 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a92 s ARG 128 N -0.40 3.55 0.00 0.00 0.52 -1.26 -5.12 118.95 116.24 3a92 s ARG 128 Ca 0.48 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 3a92 s ARG 128 Cb -0.28 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.11 3a92 s ARG 128 CO 0.33 -1.59 0.23 1.28 0.02 0.00 0.00 175.30 175.57