#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a91 s VAL 2 N 0.00 5.20 0.46 3.15 1.01 -1.26 -0.54 120.40 128.43 3a91 s VAL 2 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3a91 s VAL 2 Cb 0.00 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3a91 s VAL 2 CO 0.00 -0.43 1.11 -0.36 0.00 0.00 0.00 175.10 175.42 3a91 s PHE 3 N 1.80 2.95 0.61 5.22 0.40 -0.26 -4.99 117.98 123.71 3a91 s PHE 3 Ca 0.07 1.57 -0.16 0.00 -0.60 0.00 0.00 56.93 57.80 3a91 s PHE 3 Cb -0.20 -3.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.06 3a91 s PHE 3 CO 0.10 -1.19 1.09 0.20 0.70 0.00 0.00 175.22 176.12 3a91 s GLY 4 N -1.59 2.22 0.10 4.36 0.00 -1.26 -4.84 107.32 106.30 3a91 s GLY 4 Ca 0.64 0.52 -0.34 0.00 0.00 0.00 0.00 44.72 45.54 3a91 s GLY 4 CO 0.29 0.86 1.57 -0.09 0.00 0.00 0.00 173.10 175.73 3a91 h ARG 5 N 0.40 -0.82 -0.09 2.90 2.43 -1.97 0.12 114.38 117.37 3a91 h ARG 5 Ca -0.47 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 3a91 h ARG 5 Cb 1.24 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 3a91 h ARG 5 CO 0.56 -0.55 -0.30 0.00 -1.51 0.00 0.00 179.97 178.17 3a91 h GLU 7 N 0.14 0.49 -0.49 0.00 4.81 -1.87 -0.76 114.58 116.90 3a91 h GLU 7 Ca 0.02 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3a91 h GLU 7 Cb 0.61 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3a91 h GLU 7 CO 0.04 0.34 -0.19 1.25 -0.73 0.00 0.00 179.01 179.73 3a91 h LEU 8 N 0.49 1.01 -0.50 1.64 5.85 -0.41 -1.91 115.31 121.48 3a91 h LEU 8 Ca 0.13 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3a91 h LEU 8 Cb -0.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 3a91 h LEU 8 CO -0.03 1.17 0.21 0.00 -0.34 0.00 0.00 178.44 179.46 3a91 h ALA 9 N 0.87 0.63 -0.71 1.25 0.00 -0.93 1.00 119.26 121.37 3a91 h ALA 9 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a91 h ALA 9 Cb 0.77 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3a91 h ALA 9 CO 0.06 -0.16 0.39 0.00 0.00 0.00 0.00 179.25 179.54 3a91 h ALA 10 N 1.30 0.91 -0.43 0.00 0.00 -1.02 -0.74 119.26 119.29 3a91 h ALA 10 Ca 0.23 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3a91 h ALA 10 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a91 h ALA 10 CO -0.20 0.43 -0.27 0.00 0.00 0.00 0.00 179.25 179.21 3a91 h ALA 11 N 1.19 0.61 -0.70 0.00 0.00 -0.74 -1.36 119.26 118.27 3a91 h ALA 11 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3a91 h ALA 11 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3a91 h ALA 11 CO -0.04 0.64 0.41 0.52 0.00 0.00 0.00 179.25 180.78 3a91 h MET 12 N 0.78 0.95 -0.27 0.00 2.86 -0.65 -2.02 114.93 116.59 3a91 h MET 12 Ca 0.09 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3a91 h MET 12 Cb 0.85 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3a91 h MET 12 CO 0.08 0.69 0.13 -0.22 1.06 0.00 0.00 176.91 178.64 3a91 h LYS 13 N 0.95 0.38 -0.35 1.72 3.64 -0.99 -1.68 116.57 120.24 3a91 h LYS 13 Ca 0.25 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3a91 h LYS 13 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3a91 h LYS 13 CO -0.04 0.37 0.19 -0.09 -2.27 0.00 0.00 179.45 177.61 3a91 h ARG 14 N 0.30 0.48 -0.14 1.90 2.43 -1.06 -1.44 114.38 116.85 3a91 h ARG 14 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3a91 h ARG 14 Cb 0.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3a91 h ARG 14 CO -0.01 0.35 0.00 0.72 -1.51 0.00 0.00 179.97 179.52 3a91 n HIS 15 N -4.45 0.18 -0.63 2.20 8.25 -0.78 -4.92 115.22 115.07 3a91 n HIS 15 Ca 0.02 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3a91 n HIS 15 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3a91 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a91 n GLY 16 N 0.97 0.61 0.16 -1.41 0.00 -0.54 -4.96 105.19 100.02 3a91 n GLY 16 Ca 0.13 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.57 3a91 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a91 h LEU 17 N 0.00 0.00 -9.17 0.99 3.38 -1.51 -3.40 115.31 105.61 3a91 h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3a91 h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3a91 h LEU 17 CO 0.00 0.32 1.30 -0.62 0.09 0.00 0.00 178.44 179.53 3a91 s ASP 18 N -6.22 6.11 -0.65 -0.43 2.15 -1.26 -1.38 116.67 114.98 3a91 s ASP 18 Ca 0.04 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.21 3a91 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3a91 s ASP 18 CO 0.74 -1.40 0.00 0.59 -0.17 0.00 0.00 175.17 174.93 3a91 n ASN 19 N 9.11 -4.60 -4.71 -0.34 4.13 0.08 -4.87 115.26 114.06 3a91 n ASN 19 Ca 0.23 0.15 -0.42 0.00 1.68 0.00 0.00 54.58 56.22 3a91 n ASN 19 Cb 0.43 -2.64 -0.03 0.00 -1.54 0.00 0.00 39.78 36.00 3a91 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3a91 s TYR 20 N -1.94 2.95 -1.06 3.10 5.04 -0.48 -0.97 117.35 123.98 3a91 s TYR 20 Ca 0.00 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 3a91 s TYR 20 Cb 0.00 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.41 3a91 s TYR 20 CO 0.00 -3.38 0.00 0.54 -1.34 0.00 0.00 175.55 171.37 3a91 n ARG 21 N 4.32 -1.97 -0.63 4.97 5.12 -1.26 -1.57 116.66 125.64 3a91 n ARG 21 Ca 0.14 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 3a91 n ARG 21 Cb 0.39 -5.08 0.00 0.00 -1.16 0.00 0.00 32.46 26.61 3a91 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a91 n GLY 22 N -0.62 0.77 3.53 -0.13 0.00 -0.14 -5.03 105.19 103.57 3a91 n GLY 22 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3a91 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a91 s TYR 23 N -2.78 3.19 0.81 1.61 2.02 -0.61 -4.86 117.35 116.73 3a91 s TYR 23 Ca 0.00 -0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.50 3a91 s TYR 23 Cb 0.00 -2.79 0.09 0.00 -0.40 0.00 0.00 41.96 38.85 3a91 s TYR 23 CO 0.00 -0.53 1.19 -1.54 -1.57 0.00 0.00 175.55 173.09 3a91 s SER 24 N 1.76 3.60 0.29 2.29 1.04 -1.26 -0.74 113.70 120.69 3a91 s SER 24 Ca 0.13 2.29 0.04 0.00 0.48 0.00 0.00 55.95 58.90 3a91 s SER 24 Cb -0.16 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.09 3a91 s SER 24 CO 0.13 -2.66 1.73 0.25 0.98 0.00 0.00 173.24 173.67 3a91 h LEU 25 N -1.02 0.51 -1.64 2.42 5.85 -1.90 -0.79 115.31 118.74 3a91 h LEU 25 Ca -0.46 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3a91 h LEU 25 Cb 1.29 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3a91 h LEU 25 CO 0.46 0.11 0.36 1.23 -0.34 0.00 0.00 178.44 180.26 3a91 h GLY 26 N 0.54 0.56 1.00 3.75 0.00 -1.91 -1.22 103.07 105.79 3a91 h GLY 26 Ca 0.56 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 3a91 h GLY 26 CO -0.46 0.12 0.41 3.43 0.00 0.00 0.00 176.54 180.04 3a91 h ASN 27 N 0.43 0.81 -0.36 0.19 2.35 -1.37 -0.47 115.58 117.17 3a91 h ASN 27 Ca 0.24 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3a91 h ASN 27 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3a91 h ASN 27 CO -0.06 0.63 -0.22 -0.50 -1.65 0.00 0.00 177.43 175.63 3a91 h TRP 28 N 0.92 0.92 -0.35 1.19 4.06 -1.34 -1.01 115.95 120.33 3a91 h TRP 28 Ca 0.24 -0.24 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3a91 h TRP 28 Cb -0.03 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 3a91 h TRP 28 CO -0.01 1.00 0.01 0.28 -3.56 0.00 0.00 178.44 176.15 3a91 h VAL 29 N 0.58 1.26 -0.58 1.49 2.07 -1.17 -1.41 116.25 118.47 3a91 h VAL 29 Ca 0.07 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3a91 h VAL 29 Cb 0.78 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3a91 h VAL 29 CO 0.06 0.32 0.36 0.00 0.02 0.00 0.00 177.57 178.33 3a91 h ALA 31 N 1.26 0.73 -0.47 0.00 0.00 -1.01 -2.27 119.26 117.51 3a91 h ALA 31 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3a91 h ALA 31 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a91 h ALA 31 CO -0.10 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3a91 h ALA 32 N 1.11 1.13 -0.14 0.00 0.00 -0.87 0.48 119.26 120.97 3a91 h ALA 32 Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a91 h ALA 32 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a91 h ALA 32 CO -0.03 0.56 0.06 -0.22 0.00 0.00 0.00 179.25 179.63 3a91 h LYS 33 N 0.72 0.14 0.00 0.00 1.63 -0.50 -1.05 116.57 117.50 3a91 h LYS 33 Ca 0.14 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3a91 h LYS 33 Cb 0.44 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3a91 h LYS 33 CO 0.02 0.09 -0.51 0.74 -3.45 0.00 0.00 179.45 176.34 3a91 h PHE 34 N 0.14 0.00 0.02 1.91 0.04 -1.20 0.65 116.94 118.51 3a91 h PHE 34 Ca 0.06 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.65 3a91 h PHE 34 Cb 0.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.18 3a91 h PHE 34 CO -0.09 0.15 -0.70 0.93 -0.60 0.00 0.00 178.31 177.99 3a91 h GLU 35 N 0.00 0.44 0.00 1.51 4.39 -0.78 -3.42 114.58 116.71 3a91 h GLU 35 Ca -0.02 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3a91 h GLU 35 Cb 1.13 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3a91 h GLU 35 CO 0.02 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 3a91 n SER 36 N -4.15 0.12 -2.63 1.42 3.41 -0.42 -4.83 113.62 106.54 3a91 n SER 36 Ca -0.11 -0.64 -0.18 0.00 -0.26 0.00 0.00 58.87 57.68 3a91 n SER 36 Cb 0.73 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3a91 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a91 n ASN 37 N -0.08 -5.05 -0.29 4.04 5.15 0.22 -1.89 115.26 117.36 3a91 n ASN 37 Ca 0.00 -0.03 -0.04 0.00 -0.60 0.00 0.00 54.58 53.91 3a91 n ASN 37 Cb 0.12 -4.20 -0.02 0.00 -0.53 0.00 0.00 39.78 35.15 3a91 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a91 n PHE 38 N -3.89 0.00 -3.35 1.20 3.72 -1.21 -4.84 117.46 109.10 3a91 n PHE 38 Ca -0.17 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.82 3a91 n PHE 38 Cb 0.64 -1.13 -0.09 0.00 -0.94 0.00 0.00 39.48 37.95 3a91 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a91 s ASN 39 N -2.47 6.21 0.55 4.37 3.84 -0.79 -1.10 114.94 125.55 3a91 s ASN 39 Ca 0.00 -0.26 0.29 0.00 0.21 0.00 0.00 52.86 53.10 3a91 s ASN 39 Cb 0.00 -2.22 1.60 0.00 -0.55 0.00 0.00 41.25 40.08 3a91 s ASN 39 CO 0.00 -0.42 2.13 0.71 -2.79 0.00 0.00 177.10 176.74 3a91 h THR 40 N 5.59 0.51 -0.13 -5.21 1.35 -1.12 -2.55 112.91 111.35 3a91 h THR 40 Ca -0.29 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3a91 h THR 40 Cb 1.13 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3a91 h THR 40 CO 0.73 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 176.08 3a91 n GLN 41 N -3.65 1.58 -1.80 4.72 6.02 -1.26 -3.96 117.38 119.03 3a91 n GLN 41 Ca -0.02 -0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 55.69 3a91 n GLN 41 Cb 0.19 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 3a91 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a91 s ALA 42 N -1.84 3.81 0.02 -1.58 0.00 -0.96 -4.80 121.76 116.40 3a91 s ALA 42 Ca 0.32 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.82 3a91 s ALA 42 Cb 0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3a91 s ALA 42 CO 0.26 -0.91 -0.07 0.95 0.00 0.00 0.00 175.76 175.99 3a91 s THR 43 N 0.56 0.49 -0.13 0.00 -4.23 -1.26 -0.43 115.64 110.64 3a91 s THR 43 Ca 0.68 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3a91 s THR 43 Cb -0.47 -0.49 0.05 0.00 1.34 0.00 0.00 72.50 72.92 3a91 s THR 43 CO 0.40 -0.14 0.31 0.20 -0.54 0.00 0.00 174.62 174.85 3a91 s ASN 44 N -0.88 -0.36 0.05 3.99 0.01 -0.58 -4.98 114.94 112.19 3a91 s ASN 44 Ca -0.04 0.68 -0.27 0.00 -0.71 0.00 0.00 52.86 52.52 3a91 s ASN 44 Cb -0.06 0.56 -0.05 0.00 0.41 0.00 0.00 41.25 42.11 3a91 s ASN 44 CO 0.00 -0.18 0.83 -0.60 -1.51 0.00 0.00 177.10 175.65 3a91 s ARG 45 N 1.34 4.55 0.45 -0.60 6.06 -1.26 -0.65 118.95 128.84 3a91 s ARG 45 Ca -0.09 1.19 -0.03 0.00 -2.50 0.00 0.00 55.73 54.30 3a91 s ARG 45 Cb -0.10 -3.38 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 3a91 s ARG 45 CO -0.10 0.22 0.71 -0.80 -2.50 0.00 0.00 175.30 172.83 3a91 s ASN 46 N 0.11 6.13 0.48 -2.12 0.01 0.58 -4.96 114.94 115.17 3a91 s ASN 46 Ca 0.42 0.67 0.14 0.00 -0.71 0.00 0.00 52.86 53.38 3a91 s ASN 46 Cb -0.21 -2.02 1.13 0.00 0.41 0.00 0.00 41.25 40.56 3a91 s ASN 46 CO 0.25 -0.57 2.10 0.71 -1.51 0.00 0.00 177.10 178.08 3a91 h THR 47 N 0.35 1.05 -0.00 1.60 1.35 -1.97 -1.98 112.91 113.30 3a91 h THR 47 Ca -0.47 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3a91 h THR 47 Cb 1.22 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3a91 h THR 47 CO 0.61 0.05 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.02 3a91 n ASP 48 N -4.49 0.08 0.00 5.36 5.75 -1.26 -4.88 116.55 117.12 3a91 n ASP 48 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 3a91 n ASP 48 Cb 0.11 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3a91 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a91 n GLY 49 N 1.20 0.02 3.74 6.12 0.00 -0.74 -5.01 105.19 110.52 3a91 n GLY 49 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3a91 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a91 s SER 50 N -2.01 3.30 0.03 1.61 1.04 -1.26 -4.77 113.70 111.65 3a91 s SER 50 Ca 0.00 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.59 3a91 s SER 50 Cb 0.00 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 3a91 s SER 50 CO 0.00 -2.70 -0.10 -0.89 0.98 0.00 0.00 173.24 170.53 3a91 s THR 51 N -3.12 0.75 -0.15 2.02 2.01 -1.26 -0.31 115.64 115.59 3a91 s THR 51 Ca 0.64 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 3a91 s THR 51 Cb -0.16 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3a91 s THR 51 CO 0.55 -0.10 0.11 -1.81 -0.69 0.00 0.00 174.62 172.68 3a91 s ASP 52 N -1.05 6.08 -0.06 3.53 1.01 0.17 -0.69 116.67 125.66 3a91 s ASP 52 Ca -0.02 0.30 0.03 0.00 0.71 0.00 0.00 52.55 53.57 3a91 s ASP 52 Cb -0.07 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.87 3a91 s ASP 52 CO 0.01 0.30 -0.16 -0.31 0.21 0.00 0.00 175.17 175.22 3a91 s TYR 53 N -0.40 1.73 0.00 4.23 1.51 0.22 -1.52 117.35 123.12 3a91 s TYR 53 Ca 0.11 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3a91 s TYR 53 Cb -0.12 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 3a91 s TYR 53 CO 0.01 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 3a91 n GLY 54 N 3.44 -1.91 0.26 0.71 0.00 0.43 -1.35 105.19 106.77 3a91 n GLY 54 Ca -0.20 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.23 3a91 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a91 h ILE 55 N 0.00 0.88 -0.21 -0.61 2.10 -1.71 -1.43 117.51 116.53 3a91 h ILE 55 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 3a91 h ILE 55 Cb 0.00 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 3a91 h ILE 55 CO 0.00 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 3a91 n LEU 56 N -4.20 2.95 -3.79 2.19 4.77 -1.26 -4.06 117.00 113.60 3a91 n LEU 56 Ca -0.03 -2.42 -0.27 0.00 -0.03 0.00 0.00 56.01 53.26 3a91 n LEU 56 Cb 0.15 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3a91 n LEU 56 CO 0.33 0.67 -0.14 0.00 -1.33 0.00 0.00 177.39 176.92 3a91 n GLN 57 N -0.22 -2.74 -2.58 3.23 1.13 -0.54 -4.90 117.38 110.77 3a91 n GLN 57 Ca 0.13 0.47 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 3a91 n GLN 57 Cb 0.55 -4.49 -0.04 0.00 0.11 0.00 0.00 30.24 26.37 3a91 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a91 s ILE 58 N -3.70 4.20 -0.04 5.09 1.01 -0.46 -4.34 121.20 122.97 3a91 s ILE 58 Ca 0.20 1.77 -0.20 0.00 0.00 0.00 0.00 60.65 62.41 3a91 s ILE 58 Cb -0.07 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3a91 s ILE 58 CO 0.86 0.24 0.57 0.21 0.00 0.00 0.00 174.94 176.83 3a91 s ASN 59 N 0.30 6.91 0.15 3.58 3.04 -1.26 -0.61 114.94 127.04 3a91 s ASN 59 Ca 0.51 1.08 0.18 0.00 0.04 0.00 0.00 52.86 54.67 3a91 s ASN 59 Cb -0.27 -2.35 0.78 0.00 -1.54 0.00 0.00 41.25 37.87 3a91 s ASN 59 CO 0.31 0.06 1.55 -1.54 -3.04 0.00 0.00 177.10 174.45 3a91 n SER 60 N 3.02 0.35 -0.11 -4.21 3.41 0.13 -1.98 113.62 114.23 3a91 n SER 60 Ca -0.07 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.15 3a91 n SER 60 Cb 0.51 -0.67 0.29 0.00 -0.26 0.00 0.00 64.21 64.08 3a91 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a91 h ARG 61 N 0.00 0.78 0.00 4.33 9.65 -1.84 -3.38 114.38 123.92 3a91 h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3a91 h ARG 61 Cb 0.25 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3a91 h ARG 61 CO 0.00 0.58 -0.75 0.91 2.80 0.00 0.00 179.97 183.52 3a91 n TRP 62 N -4.39 0.00 -0.04 2.20 7.02 -1.19 -1.45 117.44 119.59 3a91 n TRP 62 Ca 0.05 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.51 3a91 n TRP 62 Cb 0.11 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.90 3a91 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a91 n TRP 63 N -1.77 0.00 -4.02 -5.99 7.02 -0.84 -0.93 117.44 110.91 3a91 n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3a91 n TRP 63 Cb 0.37 -0.49 -0.09 0.00 -2.42 0.00 0.00 31.31 28.68 3a91 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a91 s ASN 65 N -2.92 6.22 0.00 0.00 3.04 -0.15 -4.57 114.94 116.56 3a91 s ASN 65 Ca 0.09 0.25 0.00 0.00 0.04 0.00 0.00 52.86 53.24 3a91 s ASN 65 Cb 0.07 -2.15 0.00 0.00 -1.54 0.00 0.00 41.25 37.64 3a91 s ASN 65 CO -0.08 0.02 0.72 -0.90 -3.04 0.00 0.00 177.10 173.82 3a91 n ASP 66 N 4.31 1.45 0.00 -4.21 5.68 -1.26 -0.42 116.55 122.10 3a91 n ASP 66 Ca -0.13 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3a91 n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3a91 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a91 n GLY 67 N -0.19 0.57 0.99 6.12 0.00 -1.26 -4.80 105.19 106.62 3a91 n GLY 67 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3a91 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a91 n ARG 68 N -1.94 0.37 -3.82 1.61 1.85 -1.26 -4.95 116.66 108.53 3a91 n ARG 68 Ca 0.00 -2.03 -0.29 0.00 -1.00 0.00 0.00 57.85 54.53 3a91 n ARG 68 Cb 0.02 -0.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.79 3a91 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3a91 s THR 69 N -0.77 2.17 0.15 8.89 2.01 -1.26 -4.84 115.64 121.98 3a91 s THR 69 Ca 0.26 -3.40 -0.34 0.00 0.31 0.00 0.00 61.69 58.53 3a91 s THR 69 Cb 0.28 -2.47 -0.15 0.00 0.01 0.00 0.00 72.50 70.17 3a91 s THR 69 CO -0.10 -0.94 1.32 -2.65 -0.69 0.00 0.00 174.62 171.56 3a91 n PRO 70 N 2.79 1.44 -0.91 4.92 -0.02 -1.26 -2.17 135.00 139.79 3a91 n PRO 70 Ca 0.14 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3a91 n PRO 70 Cb 0.35 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3a91 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a91 n GLY 71 N 2.40 1.11 3.87 -1.23 0.00 -1.26 -5.00 105.19 105.08 3a91 n GLY 71 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3a91 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a91 s SER 72 N -3.06 4.16 0.49 1.61 1.04 -0.92 -5.08 113.70 111.94 3a91 s SER 72 Ca 0.00 0.80 0.05 0.00 0.48 0.00 0.00 55.95 57.28 3a91 s SER 72 Cb 0.00 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.83 3a91 s SER 72 CO 0.00 -2.13 0.28 -0.13 0.98 0.00 0.00 173.24 172.24 3a91 s ARG 73 N -5.52 2.26 -0.40 4.02 1.81 -0.53 -4.99 118.95 115.61 3a91 s ARG 73 Ca 0.63 -1.99 0.10 0.00 -1.72 0.00 0.00 55.73 52.75 3a91 s ARG 73 Cb -0.12 -2.00 0.30 0.00 -0.45 0.00 0.00 34.95 32.68 3a91 s ARG 73 CO 0.50 -0.41 0.64 -1.71 -0.68 0.00 0.00 175.30 173.65 3a91 n ASN 74 N -1.53 0.81 0.25 0.23 5.15 -1.15 -3.61 115.26 115.40 3a91 n ASN 74 Ca -0.04 -2.91 0.13 0.00 -0.60 0.00 0.00 54.58 51.16 3a91 n ASN 74 Cb 0.65 -0.63 0.57 0.00 -0.53 0.00 0.00 39.78 39.84 3a91 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a91 h LEU 75 N 3.53 0.00 -0.67 1.20 3.38 -1.04 -1.22 115.31 120.49 3a91 h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a91 h LEU 75 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3a91 h LEU 75 CO 0.51 0.14 -0.05 0.00 0.09 0.00 0.00 178.44 179.13 3a91 n ASN 77 N -0.24 -1.36 -3.86 0.00 3.02 -0.46 -4.99 115.26 107.37 3a91 n ASN 77 Ca 0.18 -0.85 -0.11 0.00 -0.03 0.00 0.00 54.58 53.77 3a91 n ASN 77 Cb 0.31 -3.91 -0.10 0.00 -0.61 0.00 0.00 39.78 35.46 3a91 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3a91 s ILE 78 N -3.69 0.07 0.34 2.41 -4.36 -1.26 -5.07 121.20 109.64 3a91 s ILE 78 Ca 0.04 -0.60 -0.28 0.00 -0.26 0.00 0.00 60.65 59.54 3a91 s ILE 78 Cb -0.01 -0.43 -0.10 0.00 1.25 0.00 0.00 42.46 43.17 3a91 s ILE 78 CO 0.82 -0.33 1.25 -2.16 0.24 0.00 0.00 174.94 174.76 3a91 s PRO 79 N -1.23 4.32 0.48 0.37 0.04 -1.26 -0.98 135.00 136.74 3a91 s PRO 79 Ca -0.13 2.09 0.15 0.00 0.04 0.00 0.00 61.00 63.15 3a91 s PRO 79 Cb -0.07 -3.00 1.17 0.00 0.04 0.00 0.00 34.50 32.64 3a91 s PRO 79 CO 0.02 -0.17 2.07 0.00 0.04 0.00 0.00 177.00 178.96 3a91 h SER 81 N 0.19 0.00 0.17 0.00 4.64 -1.91 -0.59 113.55 116.04 3a91 h SER 81 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3a91 h SER 81 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3a91 h SER 81 CO -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.91 3a91 h ALA 82 N 1.76 1.24 -0.00 5.18 0.00 -1.57 -1.25 119.26 124.62 3a91 h ALA 82 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a91 h ALA 82 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3a91 h ALA 82 CO -0.00 0.04 -0.01 1.28 0.00 0.00 0.00 179.25 180.56 3a91 n LEU 83 N -3.47 0.08 -0.67 0.00 4.77 -0.23 -3.36 117.00 114.13 3a91 n LEU 83 Ca -0.02 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3a91 n LEU 83 Cb 0.13 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3a91 n LEU 83 CO 0.25 0.01 0.51 0.18 -1.33 0.00 0.00 177.39 177.02 3a91 n LEU 84 N -1.02 2.39 -4.73 2.23 4.77 -0.47 -3.87 117.00 116.29 3a91 n LEU 84 Ca 0.21 -0.99 -0.34 0.00 -0.03 0.00 0.00 56.01 54.86 3a91 n LEU 84 Cb 0.16 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 3a91 n LEU 84 CO 0.20 0.42 0.77 -0.55 -1.33 0.00 0.00 177.39 176.90 3a91 s SER 85 N -1.42 4.37 0.51 -1.43 0.15 -1.21 -4.14 113.70 110.52 3a91 s SER 85 Ca 0.20 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.37 3a91 s SER 85 Cb 0.14 -2.58 1.36 0.00 -1.71 0.00 0.00 66.02 63.23 3a91 s SER 85 CO 0.22 -2.14 2.01 0.77 1.20 0.00 0.00 173.24 175.30 3a91 h SER 86 N -0.31 0.00 -3.48 5.45 4.64 -1.94 -3.40 113.55 114.51 3a91 h SER 86 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 3a91 h SER 86 Cb 1.28 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.26 3a91 h SER 86 CO 0.50 0.13 0.18 -0.62 -0.87 0.00 0.00 176.83 176.15 3a91 s ASP 87 N -6.03 6.58 0.00 4.97 -1.08 -1.26 -4.96 116.67 114.89 3a91 s ASP 87 Ca -0.01 0.69 0.22 0.00 -0.52 0.00 0.00 52.55 52.92 3a91 s ASP 87 Cb 0.12 -2.34 1.01 0.00 -1.46 0.00 0.00 42.92 40.25 3a91 s ASP 87 CO 0.58 -0.39 1.69 2.30 0.52 0.00 0.00 175.17 179.86 3a91 n ILE 88 N 5.23 0.09 -0.15 4.11 -5.35 -1.26 -4.39 119.36 117.64 3a91 n ILE 88 Ca -0.00 -0.17 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 3a91 n ILE 88 Cb 0.49 0.06 0.02 0.00 -1.74 0.00 0.00 39.64 38.47 3a91 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a91 h THR 89 N 1.19 0.37 -0.61 7.28 2.02 -1.94 0.24 112.91 121.46 3a91 h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3a91 h THR 89 Cb 0.26 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3a91 h THR 89 CO 0.00 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.13 3a91 h ALA 90 N 1.22 0.79 -0.48 6.16 0.00 -1.84 -0.17 119.26 124.94 3a91 h ALA 90 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a91 h ALA 90 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3a91 h ALA 90 CO -0.54 0.40 0.26 0.77 0.00 0.00 0.00 179.25 180.14 3a91 h SER 91 N 0.84 0.60 -0.11 0.00 0.02 -1.63 -1.64 113.55 111.63 3a91 h SER 91 Ca 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3a91 h SER 91 Cb 0.20 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3a91 h SER 91 CO -0.02 0.52 0.04 0.58 -1.14 0.00 0.00 176.83 176.82 3a91 h VAL 92 N 0.63 1.16 -0.94 2.27 2.07 -0.65 0.63 116.25 121.42 3a91 h VAL 92 Ca 0.17 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3a91 h VAL 92 Cb 0.06 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3a91 h VAL 92 CO -0.03 0.14 0.59 0.78 0.02 0.00 0.00 177.57 179.08 3a91 h ASN 93 N 0.01 1.12 -0.30 0.57 2.35 -0.94 -0.57 115.58 117.82 3a91 h ASN 93 Ca 0.04 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 3a91 h ASN 93 Cb 0.19 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3a91 h ASN 93 CO -0.00 0.84 -0.29 0.00 -1.65 0.00 0.00 177.43 176.33 3a91 h ALA 95 N 0.71 1.55 -0.93 0.00 0.00 -0.31 -0.68 119.26 119.60 3a91 h ALA 95 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3a91 h ALA 95 Cb 0.86 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3a91 h ALA 95 CO 0.07 0.19 0.60 0.87 0.00 0.00 0.00 179.25 180.99 3a91 h LYS 96 N 0.96 1.12 -0.37 0.00 1.57 -1.02 -0.62 116.57 118.21 3a91 h LYS 96 Ca 0.50 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 3a91 h LYS 96 Cb 0.53 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3a91 h LYS 96 CO -0.27 0.74 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.03 3a91 h LYS 97 N 1.16 0.72 -0.00 3.15 3.64 -1.08 -2.80 116.57 121.35 3a91 h LYS 97 Ca 0.38 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3a91 h LYS 97 Cb 0.04 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3a91 h LYS 97 CO -0.13 0.88 0.00 0.82 -2.27 0.00 0.00 179.45 178.75 3a91 h ILE 98 N 0.52 1.01 0.00 2.00 2.04 -0.84 -2.49 117.51 119.75 3a91 h ILE 98 Ca 0.09 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3a91 h ILE 98 Cb 0.62 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3a91 h ILE 98 CO 0.04 0.01 0.00 1.62 0.00 0.00 0.00 178.15 179.82 3a91 h VAL 99 N -0.01 0.00 -0.01 1.67 3.04 -1.16 -1.67 116.25 118.10 3a91 h VAL 99 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3a91 h VAL 99 Cb 0.01 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3a91 h VAL 99 CO -0.00 0.00 -0.08 -1.20 -1.01 0.00 0.00 177.57 175.28 3a91 n SER 100 N -2.61 1.16 0.09 3.17 7.64 -0.95 -3.66 113.62 118.46 3a91 n SER 100 Ca 0.01 -1.20 0.12 0.00 1.01 0.00 0.00 58.87 58.81 3a91 n SER 100 Cb 0.22 0.03 0.45 0.00 -1.01 0.00 0.00 64.21 63.90 3a91 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a91 n ASP 101 N -0.25 0.59 0.00 6.43 2.03 -0.63 -4.88 116.55 119.84 3a91 n ASP 101 Ca 0.17 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.08 3a91 n ASP 101 Cb 0.33 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 3a91 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a91 n GLY 102 N 0.67 2.73 1.07 0.27 0.00 -1.26 -4.96 105.19 103.71 3a91 n GLY 102 Ca 0.04 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3a91 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a91 n ASN 103 N 0.00 3.78 0.00 1.61 3.02 -1.26 -5.06 115.26 117.34 3a91 n ASN 103 Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 3a91 n ASN 103 Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 3a91 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a91 n GLY 104 N 0.75 2.45 0.00 7.41 0.00 -1.24 -1.88 105.19 112.67 3a91 n GLY 104 Ca 0.19 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3a91 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a91 n MET 105 N 13.12 0.66 0.15 1.61 2.81 -1.26 -2.90 117.12 131.31 3a91 n MET 105 Ca 0.00 0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.01 3a91 n MET 105 Cb 0.00 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 31.56 3a91 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a91 n ASN 106 N -1.14 0.59 0.07 7.83 3.02 -0.79 -1.18 115.26 123.67 3a91 n ASN 106 Ca 0.18 0.72 0.16 0.00 -0.03 0.00 0.00 54.58 55.61 3a91 n ASN 106 Cb 0.16 -0.82 0.67 0.00 -0.61 0.00 0.00 39.78 39.17 3a91 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a91 h ALA 107 N 2.10 2.33 -2.09 5.41 0.00 -1.68 -3.34 119.26 121.99 3a91 h ALA 107 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 3a91 h ALA 107 Cb 0.13 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.75 3a91 h ALA 107 CO 0.00 -0.44 -0.02 -1.58 0.00 0.00 0.00 179.25 177.21 3a91 s TRP 108 N -5.05 3.08 0.40 0.00 0.51 -0.32 -4.94 118.94 112.61 3a91 s TRP 108 Ca -0.05 -0.74 0.07 0.00 -2.12 0.00 0.00 56.10 53.27 3a91 s TRP 108 Cb 0.19 -3.59 0.81 0.00 -0.81 0.00 0.00 33.47 30.07 3a91 s TRP 108 CO 0.71 -1.05 2.00 -0.39 -0.51 0.00 0.00 176.95 177.72 3a91 h VAL 109 N 5.86 1.13 -0.25 4.03 -1.51 -1.83 -0.43 116.25 123.24 3a91 h VAL 109 Ca -0.28 -0.41 -0.06 0.00 -1.23 0.00 0.00 66.70 64.72 3a91 h VAL 109 Cb 1.10 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 3a91 h VAL 109 CO 0.98 0.16 -0.11 0.00 -1.23 0.00 0.00 177.57 177.37 3a91 h ALA 110 N 1.69 1.34 -0.22 5.19 0.00 -1.92 0.43 119.26 125.77 3a91 h ALA 110 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3a91 h ALA 110 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3a91 h ALA 110 CO -0.01 0.45 0.05 2.35 0.00 0.00 0.00 179.25 182.08 3a91 h TRP 111 N 0.39 0.37 -0.60 0.00 7.01 -1.40 -0.70 115.95 121.02 3a91 h TRP 111 Ca 0.08 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3a91 h TRP 111 Cb 0.44 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 3a91 h TRP 111 CO 0.01 0.47 0.39 -0.09 -2.79 0.00 0.00 178.44 176.44 3a91 h ARG 112 N 0.16 0.78 0.00 2.65 2.43 -0.94 0.32 114.38 119.79 3a91 h ARG 112 Ca 0.07 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3a91 h ARG 112 Cb 0.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3a91 h ARG 112 CO 0.00 0.52 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.71 3a91 h ASN 113 N 0.81 0.00 0.00 -3.80 2.35 -0.88 -3.36 115.58 110.69 3a91 h ASN 113 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3a91 h ASN 113 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3a91 h ASN 113 CO -0.05 0.36 -0.56 0.54 -1.65 0.00 0.00 177.43 176.07 3a91 n ARG 114 N -3.20 2.44 -0.03 0.81 1.74 -0.28 -4.89 116.66 113.25 3a91 n ARG 114 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 3a91 n ARG 114 Cb 0.67 -0.75 -0.03 0.00 -1.02 0.00 0.00 32.46 31.34 3a91 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a91 n LYS 116 N -2.90 1.47 -0.14 0.00 4.81 0.90 -1.34 118.16 120.95 3a91 n LYS 116 Ca -0.11 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3a91 n LYS 116 Cb 0.60 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3a91 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a91 n GLY 117 N 3.53 1.98 3.96 3.14 0.00 -1.26 -4.96 105.19 111.58 3a91 n GLY 117 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3a91 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a91 s THR 118 N -2.89 2.26 -1.38 2.61 -4.23 -0.45 -4.96 115.64 106.60 3a91 s THR 118 Ca 0.00 -0.44 -0.16 0.00 -1.18 0.00 0.00 61.69 59.91 3a91 s THR 118 Cb 0.00 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 71.07 3a91 s THR 118 CO 0.00 0.00 1.99 -0.67 -0.54 0.00 0.00 174.62 175.40 3a91 n ASP 119 N -2.88 4.39 0.26 3.99 2.03 -1.26 -4.74 116.55 118.33 3a91 n ASP 119 Ca 0.12 -2.88 0.17 0.00 0.52 0.00 0.00 54.79 52.72 3a91 n ASP 119 Cb 0.60 -1.70 0.78 0.00 -0.72 0.00 0.00 41.12 40.08 3a91 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a91 h VAL 120 N 4.75 0.00 0.00 5.18 -1.51 -1.90 -2.45 116.25 120.32 3a91 h VAL 120 Ca 0.51 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 65.68 3a91 h VAL 120 Cb 0.75 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3a91 h VAL 120 CO 1.68 0.00 -0.02 -0.61 -1.23 0.00 0.00 177.57 177.39 3a91 h GLN 121 N 0.00 0.00 -0.62 5.19 -0.00 -1.88 -1.17 115.11 116.63 3a91 h GLN 121 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.65 58.83 3a91 h GLN 121 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.77 3a91 h GLN 121 CO 0.00 0.02 0.44 0.00 0.00 0.00 0.00 178.83 179.30 3a91 h ALA 122 N 1.98 2.57 0.00 3.38 0.00 -1.84 -1.36 119.26 123.99 3a91 h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a91 h ALA 122 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a91 h ALA 122 CO 0.00 -0.75 0.00 -1.49 0.00 0.00 0.00 179.25 177.02 3a91 h TRP 123 N 0.01 0.00 -0.14 0.00 4.06 -1.43 -2.71 115.95 115.74 3a91 h TRP 123 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 3a91 h TRP 123 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 3a91 h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3a91 n ILE 124 N -2.81 0.83 -1.75 1.49 -5.35 -0.53 -4.80 119.36 106.45 3a91 n ILE 124 Ca 0.01 -0.92 -0.42 0.00 -0.27 0.00 0.00 62.75 61.15 3a91 n ILE 124 Cb 0.25 0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 3a91 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a91 s ARG 125 N -0.91 4.12 0.00 6.28 1.81 -1.02 -2.34 118.95 126.88 3a91 s ARG 125 Ca 0.10 2.60 0.00 0.00 -1.72 0.00 0.00 55.73 56.72 3a91 s ARG 125 Cb 0.06 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 3a91 s ARG 125 CO 0.08 -0.69 0.00 0.41 -0.68 0.00 0.00 175.30 174.41 3a91 n GLY 126 N 2.91 2.59 3.75 -3.53 0.00 -1.26 -5.02 105.19 104.63 3a91 n GLY 126 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3a91 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a91 s ARG 128 N -0.97 3.51 0.00 0.00 0.52 -1.26 -5.12 118.95 115.62 3a91 s ARG 128 Ca 0.43 -0.96 0.11 0.00 -0.52 0.00 0.00 55.73 54.79 3a91 s ARG 128 Cb -0.27 -5.12 0.08 0.00 0.52 0.00 0.00 34.95 30.16 3a91 s ARG 128 CO 0.34 -2.19 0.84 1.28 0.02 0.00 0.00 175.30 175.58