#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s ARG 3 N 0.00 2.73 -1.22 0.54 3.52 -1.26 -5.00 118.95 118.27 3huz s ARG 3 Ca 0.00 -1.19 -0.11 0.00 -0.13 0.00 0.00 55.73 54.30 3huz s ARG 3 Cb 0.00 -3.70 0.19 0.00 -1.56 0.00 0.00 34.95 29.88 3huz s ARG 3 CO 0.00 -0.76 1.55 0.00 -0.81 0.00 0.00 175.30 175.28 3huz n ALA 4 N 4.95 4.48 -0.73 6.12 0.00 -1.26 -4.99 120.51 129.09 3huz n ALA 4 Ca -0.12 -4.35 -0.29 0.00 0.00 0.00 0.00 53.44 48.69 3huz n ALA 4 Cb 0.45 -2.92 0.24 0.00 0.00 0.00 0.00 19.45 17.22 3huz n ALA 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3huz s LYS 5 N 0.60 -0.99 0.02 0.00 -2.85 -1.26 -4.95 119.74 110.31 3huz s LYS 5 Ca 0.40 0.55 -0.13 0.00 -1.00 0.00 0.00 55.97 55.79 3huz s LYS 5 Cb 0.01 -1.57 -0.07 0.00 -2.06 0.00 0.00 37.83 34.14 3huz s LYS 5 CO 0.00 -3.69 1.19 1.15 0.10 0.00 0.00 175.35 174.10 3huz h THR 6 N -2.59 0.00 0.00 3.79 2.02 -2.03 -3.48 112.91 110.62 3huz h THR 6 Ca -0.57 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3huz h THR 6 Cb 1.33 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3huz h THR 6 CO 0.48 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.98 3huz n GLY 7 N -1.22 0.39 0.08 2.16 0.00 -1.26 -3.80 105.19 101.54 3huz n GLY 7 Ca -0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 3huz n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3huz h VAL 8 N 0.00 1.45 -1.48 1.61 2.07 -2.03 -3.39 116.25 114.48 3huz h VAL 8 Ca 0.00 -3.07 0.48 0.00 0.82 0.00 0.00 66.70 64.93 3huz h VAL 8 Cb 0.00 2.72 -0.12 0.00 -1.52 0.00 0.00 31.29 32.37 3huz h VAL 8 CO 0.00 0.83 0.99 0.52 0.02 0.00 0.00 177.57 179.93 3huz n VAL 9 N -3.30 -0.17 0.03 2.57 0.31 -1.25 -2.09 118.33 114.43 3huz n VAL 9 Ca 0.00 1.64 -0.22 0.00 -0.01 0.00 0.00 64.34 65.74 3huz n VAL 9 Cb 0.89 -2.69 -0.14 0.00 -0.91 0.00 0.00 33.84 30.98 3huz n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3huz h ARG 10 N 0.00 0.32 -0.28 5.55 2.43 -1.86 -3.12 114.38 117.42 3huz h ARG 10 Ca 0.86 -0.54 0.05 0.00 -0.81 0.00 0.00 59.98 59.54 3huz h ARG 10 Cb 2.97 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 32.67 3huz h ARG 10 CO -0.32 1.26 -0.06 -0.09 -1.51 0.00 0.00 179.97 179.25 3huz h ARG 11 N 0.02 0.01 0.00 0.20 2.43 -1.69 -2.20 114.38 113.15 3huz h ARG 11 Ca -0.37 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3huz h ARG 11 Cb 2.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 3huz h ARG 11 CO 0.12 0.01 0.00 0.54 -1.51 0.00 0.00 179.97 179.13 3huz n ARG 12 N -5.23 0.00 -0.25 0.20 5.12 -0.99 0.34 116.66 115.85 3huz n ARG 12 Ca -0.01 0.49 0.22 0.00 -1.93 0.00 0.00 57.85 56.63 3huz n ARG 12 Cb 0.16 -1.18 0.38 0.00 -1.16 0.00 0.00 32.46 30.66 3huz n ARG 12 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3huz n LYS 13 N -1.46 -0.02 -0.09 5.56 5.02 -1.13 0.16 118.16 126.20 3huz n LYS 13 Ca 0.00 0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 56.90 3huz n LYS 13 Cb 0.00 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 3huz n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3huz n HIS 14 N -3.92 0.76 -0.28 2.13 8.25 -0.35 -2.61 115.22 119.20 3huz n HIS 14 Ca 0.23 0.33 0.34 0.00 -0.26 0.00 0.00 57.72 58.36 3huz n HIS 14 Cb 0.87 -0.86 0.71 0.00 1.12 0.00 0.00 29.99 31.84 3huz n HIS 14 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3huz h LYS 15 N -1.00 0.00 0.14 -0.41 3.64 0.82 1.02 116.57 120.77 3huz h LYS 15 Ca -0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3huz h LYS 15 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3huz h LYS 15 CO -0.10 0.00 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.79 3huz h LYS 16 N 0.00 -0.18 -0.37 1.90 3.64 0.14 -2.77 116.57 118.93 3huz h LYS 16 Ca 0.53 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.79 3huz h LYS 16 Cb 2.35 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 34.20 3huz h LYS 16 CO -0.01 0.22 -0.32 0.82 -2.27 0.00 0.00 179.45 177.90 3huz h ILE 17 N -0.64 1.28 0.22 2.00 1.08 0.11 -3.19 117.51 118.37 3huz h ILE 17 Ca -0.02 -1.47 0.01 0.00 -0.39 0.00 0.00 64.86 62.99 3huz h ILE 17 Cb 0.49 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 3huz h ILE 17 CO 0.03 0.49 -0.43 -0.07 -0.69 0.00 0.00 178.15 177.48 3huz h LEU 18 N 0.68 -1.25 -0.43 1.44 3.38 -0.46 0.40 115.31 119.07 3huz h LEU 18 Ca 0.07 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3huz h LEU 18 Cb 0.86 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3huz h LEU 18 CO 0.08 -0.53 0.67 0.11 0.09 0.00 0.00 178.44 178.85 3huz h LYS 19 N -0.74 0.00 0.00 1.13 1.57 -1.47 2.45 116.57 119.52 3huz h LYS 19 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3huz h LYS 19 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3huz h LYS 19 CO -0.19 0.00 -1.04 -0.11 -0.57 0.00 0.00 179.45 177.54 3huz n LEU 20 N -2.14 0.66 0.05 2.94 -0.00 0.12 -4.26 117.00 114.37 3huz n LEU 20 Ca -0.00 0.17 0.02 0.00 -0.00 0.00 0.00 56.01 56.19 3huz n LEU 20 Cb 0.68 -0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 3huz n LEU 20 CO 0.03 -0.07 -0.17 0.00 -0.00 0.00 0.00 177.39 177.18 3huz h ALA 21 N 2.27 0.64 -0.00 1.96 0.00 0.44 -3.48 119.26 121.07 3huz h ALA 21 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 3huz h ALA 21 Cb 0.87 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3huz h ALA 21 CO 0.00 0.75 0.22 1.63 0.00 0.00 0.00 179.25 181.85 3huz n LYS 22 N -2.89 0.00 0.00 0.00 4.76 -1.18 -2.84 118.16 116.01 3huz n LYS 22 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3huz n LYS 22 Cb 0.79 -0.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 3huz n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huz n GLY 23 N 1.23 1.70 3.77 0.72 0.00 -1.26 -5.13 105.19 106.22 3huz n GLY 23 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3huz n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huz s TYR 24 N -2.00 2.98 0.00 1.61 4.12 -1.13 -5.06 117.35 117.86 3huz s TYR 24 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.07 56.94 3huz s TYR 24 Cb 0.00 -1.36 0.00 0.00 -1.52 0.00 0.00 41.96 39.08 3huz s TYR 24 CO 0.00 0.53 0.13 1.87 0.02 0.00 0.00 175.55 178.10 3huz n TRP 25 N -1.11 0.00 0.00 2.71 -0.00 -1.26 -4.36 117.44 113.42 3huz n TRP 25 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.43 3huz n TRP 25 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 3huz n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3huz n GLY 26 N 1.69 -3.35 0.00 5.87 0.00 -1.26 -4.57 105.19 103.57 3huz n GLY 26 Ca 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.28 3huz n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huz n LEU 27 N 0.00 0.00 -0.25 0.99 4.77 -1.26 -3.15 117.00 118.10 3huz n LEU 27 Ca 0.00 0.14 0.33 0.00 -0.03 0.00 0.00 56.01 56.44 3huz n LEU 27 Cb 0.00 -0.14 0.72 0.00 -2.33 0.00 0.00 43.42 41.67 3huz n LEU 27 CO 0.00 -0.04 1.30 0.03 -1.33 0.00 0.00 177.39 177.34 3huz h ARG 28 N 0.00 0.00 -0.01 3.23 3.08 -1.80 3.37 114.38 122.25 3huz h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3huz h ARG 28 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3huz h ARG 28 CO 0.00 0.00 -0.23 -1.13 -1.07 0.00 0.00 179.97 177.54 3huz n SER 29 N -3.96 1.32 -0.03 7.04 3.41 -1.19 -3.70 113.62 116.51 3huz n SER 29 Ca 0.23 -1.16 -0.04 0.00 -0.26 0.00 0.00 58.87 57.63 3huz n SER 29 Cb 1.20 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 65.57 3huz n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3huz n LYS 30 N -0.19 0.88 -3.26 4.33 4.76 0.21 -4.71 118.16 120.17 3huz n LYS 30 Ca 0.05 0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 3huz n LYS 30 Cb 0.24 -1.15 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 3huz n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3huz s SER 31 N -4.46 6.77 0.00 4.39 0.15 1.06 -5.00 113.70 116.60 3huz s SER 31 Ca -0.08 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.48 3huz s SER 31 Cb 0.02 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3huz s SER 31 CO 0.18 -0.00 0.91 2.22 1.20 0.00 0.00 173.24 177.75 3huz n PHE 32 N 3.56 0.00 0.14 3.44 -1.74 -1.26 0.13 117.46 121.73 3huz n PHE 32 Ca -0.06 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 56.92 3huz n PHE 32 Cb 0.52 -0.41 0.47 0.00 1.52 0.00 0.00 39.48 41.58 3huz n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 3huz n ARG 33 N -2.14 0.11 0.04 3.97 1.85 -1.26 0.36 116.66 119.60 3huz n ARG 33 Ca 0.00 0.60 0.11 0.00 -1.00 0.00 0.00 57.85 57.56 3huz n ARG 33 Cb 0.00 -1.94 -0.10 0.00 -1.05 0.00 0.00 32.46 29.38 3huz n ARG 33 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3huz n LYS 34 N -2.12 0.64 -0.05 2.89 4.76 -0.63 -2.84 118.16 120.80 3huz n LYS 34 Ca -0.01 -0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.32 3huz n LYS 34 Cb 0.09 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 3huz n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huz h ALA 35 N 1.97 -0.01 -0.11 7.82 0.00 0.59 -3.00 119.26 126.52 3huz h ALA 35 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3huz h ALA 35 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3huz h ALA 35 CO 0.00 -0.01 0.08 -0.09 0.00 0.00 0.00 179.25 179.24 3huz h ARG 36 N -1.00 0.00 -0.15 0.00 2.43 -1.06 0.42 114.38 115.03 3huz h ARG 36 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3huz h ARG 36 Cb 0.36 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3huz h ARG 36 CO 0.00 0.00 -0.10 0.93 -1.51 0.00 0.00 179.97 179.29 3huz h GLU 37 N 0.00 0.32 -0.38 0.20 5.08 -1.63 -3.07 114.58 115.11 3huz h GLU 37 Ca 0.05 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3huz h GLU 37 Cb 0.22 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3huz h GLU 37 CO -0.00 0.68 0.09 1.15 -1.00 0.00 0.00 179.01 179.92 3huz h THR 38 N -0.03 1.23 0.00 1.13 2.02 -1.18 -3.16 112.91 112.91 3huz h THR 38 Ca 0.03 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3huz h THR 38 Cb 0.59 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3huz h THR 38 CO 0.03 0.27 -0.01 -0.07 0.37 0.00 0.00 175.52 176.10 3huz h LEU 39 N 0.46 0.00 -0.60 2.58 3.38 -0.95 -2.31 115.31 117.88 3huz h LEU 39 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3huz h LEU 39 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3huz h LEU 39 CO 0.00 0.01 0.13 -0.26 0.09 0.00 0.00 178.44 178.41 3huz h PHE 40 N 0.00 1.03 -0.21 1.13 0.05 -1.50 -2.25 116.94 115.20 3huz h PHE 40 Ca -0.00 -0.13 -0.17 0.00 3.82 0.00 0.00 57.97 61.48 3huz h PHE 40 Cb 0.03 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.69 3huz h PHE 40 CO 0.00 0.88 -0.55 0.00 -0.18 0.00 0.00 178.31 178.46 3huz h ALA 41 N 1.03 0.35 -0.16 2.45 0.00 -1.57 -2.66 119.26 118.70 3huz h ALA 41 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3huz h ALA 41 Cb 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3huz h ALA 41 CO 0.01 0.56 -0.35 0.00 0.00 0.00 0.00 179.25 179.47 3huz h ALA 42 N 0.60 -0.68 -0.39 0.00 0.00 -1.32 0.90 119.26 118.36 3huz h ALA 42 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3huz h ALA 42 Cb 1.17 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.80 3huz h ALA 42 CO 0.12 -0.82 -0.38 0.78 0.00 0.00 0.00 179.25 178.94 3huz h GLY 43 N -0.32 -1.36 -0.22 0.00 0.00 -1.41 1.89 103.07 101.64 3huz h GLY 43 Ca 0.03 0.81 0.18 0.00 0.00 0.00 0.00 47.33 48.35 3huz h GLY 43 CO -0.32 -0.32 0.16 3.43 0.00 0.00 0.00 176.54 179.49 3huz h ASN 44 N -0.19 -0.06 0.95 0.19 -0.26 -1.07 0.32 115.58 115.46 3huz h ASN 44 Ca 0.07 0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.93 3huz h ASN 44 Cb 0.36 0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3huz h ASN 44 CO -0.47 -0.09 -0.46 1.88 -1.06 0.00 0.00 177.43 177.23 3huz h TYR 45 N 0.22 -1.18 -0.81 1.19 0.99 0.49 -1.22 116.97 116.66 3huz h TYR 45 Ca 0.45 -0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.24 3huz h TYR 45 Cb 0.81 0.39 -0.12 0.00 1.00 0.00 0.00 36.73 38.81 3huz h TYR 45 CO -0.29 -0.73 -0.52 0.00 -0.00 0.00 0.00 178.16 176.61 3huz h ALA 46 N -1.41 -0.44 -0.02 3.88 0.00 0.40 0.22 119.26 121.90 3huz h ALA 46 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3huz h ALA 46 Cb 0.98 1.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 3huz h ALA 46 CO 0.21 -0.90 -0.04 -0.92 0.00 0.00 0.00 179.25 177.60 3huz h TYR 47 N -0.12 -0.13 -0.05 0.00 3.20 -0.35 -2.12 116.97 117.41 3huz h TYR 47 Ca 0.18 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3huz h TYR 47 Cb 0.51 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3huz h TYR 47 CO -0.89 -0.04 0.10 0.00 -1.64 0.00 0.00 178.16 175.69 3huz h ALA 48 N -1.30 1.37 0.00 1.82 0.00 -0.61 -0.29 119.26 120.25 3huz h ALA 48 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3huz h ALA 48 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3huz h ALA 48 CO -0.04 -0.13 0.00 0.45 0.00 0.00 0.00 179.25 179.53 3huz h HIS 49 N 0.00 0.00 0.29 0.00 3.86 0.05 -2.90 115.15 116.45 3huz h HIS 49 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3huz h HIS 49 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3huz h HIS 49 CO 0.00 0.00 -0.14 0.00 0.86 0.00 0.00 177.93 178.65 3huz h ARG 50 N 0.00 -0.37 0.00 2.45 2.47 -0.49 0.37 114.38 118.81 3huz h ARG 50 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3huz h ARG 50 Cb 0.91 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 3huz h ARG 50 CO 0.00 -0.06 0.11 1.63 0.56 0.00 0.00 179.97 182.21 3huz n LYS 51 N -5.04 0.00 -0.10 0.04 4.76 -1.18 -1.35 118.16 115.28 3huz n LYS 51 Ca -0.08 0.32 -0.14 0.00 -2.87 0.00 0.00 58.31 55.54 3huz n LYS 51 Cb 0.25 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 3huz n LYS 51 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3huz n ARG 52 N -1.30 0.53 -0.30 1.97 5.12 -1.08 -4.36 116.66 117.24 3huz n ARG 52 Ca 0.00 0.32 0.25 0.00 -1.93 0.00 0.00 57.85 56.50 3huz n ARG 52 Cb 0.11 -1.53 0.43 0.00 -1.16 0.00 0.00 32.46 30.32 3huz n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3huz n ARG 53 N -4.44 -0.02 0.00 5.56 0.63 0.10 -0.01 116.66 118.47 3huz n ARG 53 Ca -0.23 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 3huz n ARG 53 Cb 0.56 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3huz n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3huz n LYS 54 N -4.01 0.00 0.21 -0.14 4.76 -1.16 -2.80 118.16 115.02 3huz n LYS 54 Ca 0.26 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.85 3huz n LYS 54 Cb 1.00 -0.93 0.59 0.00 -1.84 0.00 0.00 35.03 33.84 3huz n LYS 54 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3huz h ARG 55 N 0.00 0.00 0.00 1.97 0.11 -1.02 -2.40 114.38 113.04 3huz h ARG 55 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3huz h ARG 55 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3huz h ARG 55 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 3huz n ASP 56 N -3.06 0.00 -0.05 0.08 8.00 0.98 -2.02 116.55 120.49 3huz n ASP 56 Ca 0.04 0.96 -0.08 0.00 0.71 0.00 0.00 54.79 56.42 3huz n ASP 56 Cb 0.71 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 3huz n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3huz h PHE 57 N 0.00 -0.05 -0.88 1.24 -1.00 -1.26 -0.55 116.94 114.43 3huz h PHE 57 Ca 0.00 0.02 0.13 0.00 2.81 0.00 0.00 57.97 60.93 3huz h PHE 57 Cb 0.00 0.05 -0.14 0.00 3.61 0.00 0.00 35.95 39.47 3huz h PHE 57 CO -0.04 -0.06 -0.42 -0.09 -1.61 0.00 0.00 178.31 176.10 3huz h ARG 58 N 0.04 -0.05 -0.76 1.51 2.43 -1.55 2.16 114.38 118.16 3huz h ARG 58 Ca 0.10 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3huz h ARG 58 Cb 0.14 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3huz h ARG 58 CO -0.19 -0.04 0.44 0.00 -1.51 0.00 0.00 179.97 178.68 3huz h ARG 59 N -0.06 0.79 0.15 0.20 3.08 -0.81 0.70 114.38 118.43 3huz h ARG 59 Ca 0.28 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3huz h ARG 59 Cb 0.56 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3huz h ARG 59 CO -0.90 0.52 -0.15 1.25 -1.07 0.00 0.00 179.97 179.63 3huz h LEU 60 N 0.81 -0.40 -0.89 3.04 7.12 0.45 -2.85 115.31 122.59 3huz h LEU 60 Ca 0.34 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.47 3huz h LEU 60 Cb 0.19 0.13 -0.12 0.00 -0.53 0.00 0.00 40.66 40.33 3huz h LEU 60 CO -0.18 -0.20 -0.56 -0.50 -0.13 0.00 0.00 178.44 176.87 3huz h TRP 61 N -0.30 -1.77 0.00 1.25 6.55 0.23 1.09 115.95 123.00 3huz h TRP 61 Ca -0.02 0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.94 3huz h TRP 61 Cb 0.26 0.89 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 3huz h TRP 61 CO -0.11 -0.39 0.20 -0.89 -1.05 0.00 0.00 178.44 176.20 3huz n ILE 62 N -5.30 0.46 -0.10 1.49 2.08 0.24 -1.76 119.36 116.47 3huz n ILE 62 Ca 0.02 0.32 -0.16 0.00 0.56 0.00 0.00 62.75 63.49 3huz n ILE 62 Cb 0.29 -1.32 -0.05 0.00 -0.75 0.00 0.00 39.64 37.81 3huz n ILE 62 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3huz n VAL 63 N -1.00 1.50 -0.28 1.39 0.31 0.37 -3.68 118.33 116.95 3huz n VAL 63 Ca 0.00 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.36 3huz n VAL 63 Cb 0.20 -2.20 0.19 0.00 -0.91 0.00 0.00 33.84 31.13 3huz n VAL 63 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3huz h ARG 64 N -1.00 0.59 0.44 5.55 3.08 -1.28 -0.33 114.38 121.43 3huz h ARG 64 Ca -0.23 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3huz h ARG 64 Cb 1.16 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3huz h ARG 64 CO -0.14 0.39 -0.34 0.82 -1.07 0.00 0.00 179.97 179.64 3huz h ILE 65 N 0.61 0.00 0.00 2.04 2.04 -1.67 0.97 117.51 121.50 3huz h ILE 65 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 3huz h ILE 65 Cb 0.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3huz h ILE 65 CO -0.34 0.00 0.26 -3.20 0.00 0.00 0.00 178.15 174.87 3huz n ASN 66 N -4.46 0.35 -0.03 1.72 5.15 -0.85 0.72 115.26 117.85 3huz n ASN 66 Ca -0.09 0.57 -0.01 0.00 -0.60 0.00 0.00 54.58 54.45 3huz n ASN 66 Cb 0.33 -0.53 -0.00 0.00 -0.53 0.00 0.00 39.78 39.04 3huz n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3huz h ALA 67 N 1.29 0.00 0.53 5.20 0.00 0.71 -3.05 119.26 123.94 3huz h ALA 67 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3huz h ALA 67 Cb 0.52 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3huz h ALA 67 CO 0.00 0.07 -0.46 0.00 0.00 0.00 0.00 179.25 178.86 3huz h ALA 68 N -1.37 -1.06 -1.22 0.00 0.00 0.21 -2.33 119.26 113.49 3huz h ALA 68 Ca 0.00 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.09 3huz h ALA 68 Cb 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 3huz h ALA 68 CO 0.00 -1.13 0.80 0.00 0.00 0.00 0.00 179.25 178.92 3huz n ARG 70 N -4.57 0.17 0.12 0.00 0.63 -0.88 -3.42 116.66 108.69 3huz n ARG 70 Ca 0.31 0.32 -0.05 0.00 -0.92 0.00 0.00 57.85 57.51 3huz n ARG 70 Cb 1.21 -1.77 -0.03 0.00 0.45 0.00 0.00 32.46 32.32 3huz n ARG 70 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3huz h GLN 71 N 0.00 -0.34 -2.62 -0.14 4.20 -0.17 -3.24 115.11 112.80 3huz h GLN 71 Ca 0.00 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3huz h GLN 71 Cb 0.44 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3huz h GLN 71 CO 0.00 -0.23 0.24 0.72 -0.67 0.00 0.00 178.83 178.89 3huz n HIS 72 N -4.10 0.00 -4.67 2.96 8.25 -1.22 -4.84 115.22 111.60 3huz n HIS 72 Ca -0.04 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3huz n HIS 72 Cb 0.14 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.64 3huz n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3huz n GLY 73 N 2.70 0.22 0.19 -1.41 0.00 -1.23 -4.98 105.19 100.67 3huz n GLY 73 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3huz n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3huz n LEU 74 N 0.00 0.00 -4.62 0.99 -0.00 -1.26 -3.76 117.00 108.35 3huz n LEU 74 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3huz n LEU 74 Cb 0.00 -0.54 -0.08 0.00 -0.00 0.00 0.00 43.42 42.80 3huz n LEU 74 CO 0.00 0.00 -0.36 0.54 -0.00 0.00 0.00 177.39 177.57 3huz s ASN 75 N -1.79 4.50 0.19 1.45 2.20 -1.26 -3.00 114.94 117.23 3huz s ASN 75 Ca 0.00 -0.56 -0.24 0.00 -0.94 0.00 0.00 52.86 51.12 3huz s ASN 75 Cb 0.00 -0.85 0.08 0.00 -2.00 0.00 0.00 41.25 38.49 3huz s ASN 75 CO 0.00 0.06 1.51 0.00 -2.94 0.00 0.00 177.10 175.73 3huz n TYR 76 N -0.39 -0.20 -0.25 1.54 9.36 -1.26 -0.18 117.16 125.78 3huz n TYR 76 Ca -0.09 1.22 -0.07 0.00 3.32 0.00 0.00 57.90 62.28 3huz n TYR 76 Cb 0.57 -0.72 -0.06 0.00 -0.63 0.00 0.00 39.34 38.50 3huz n TYR 76 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3huz n SER 77 N -5.33 -0.63 -0.08 2.98 3.41 -1.26 -0.75 113.62 111.95 3huz n SER 77 Ca 0.06 1.33 -0.15 0.00 -0.26 0.00 0.00 58.87 59.86 3huz n SER 77 Cb 0.32 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 3huz n SER 77 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3huz h THR 78 N 0.00 1.27 -1.22 6.66 2.02 -1.67 -1.95 112.91 118.03 3huz h THR 78 Ca 0.10 -1.71 0.35 0.00 0.77 0.00 0.00 66.41 65.92 3huz h THR 78 Cb 0.24 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.17 3huz h THR 78 CO -0.56 0.56 0.84 0.15 0.37 0.00 0.00 175.52 176.88 3huz h PHE 79 N 0.68 0.28 0.12 3.16 3.57 0.75 0.25 116.94 125.76 3huz h PHE 79 Ca 0.02 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 3huz h PHE 79 Cb 1.14 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 3huz h PHE 79 CO 0.07 -0.01 -1.39 0.82 -2.23 0.00 0.00 178.31 175.57 3huz h ILE 80 N 0.14 1.05 -0.78 1.41 1.08 -0.63 0.17 117.51 119.95 3huz h ILE 80 Ca 0.64 -2.41 0.18 0.00 -0.39 0.00 0.00 64.86 62.88 3huz h ILE 80 Cb 2.18 2.74 -0.05 0.00 -3.07 0.00 0.00 36.82 38.63 3huz h ILE 80 CO -0.16 0.71 0.53 -0.74 -0.69 0.00 0.00 178.15 177.80 3huz h HIS 81 N -0.29 0.34 0.00 1.37 2.76 0.12 1.07 115.15 120.51 3huz h HIS 81 Ca -0.30 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 57.85 3huz h HIS 81 Cb 1.77 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.62 3huz h HIS 81 CO 0.13 0.11 -0.27 0.78 -1.30 0.00 0.00 177.93 177.38 3huz h GLY 82 N 0.27 0.00 0.65 5.26 0.00 -0.81 0.29 103.07 108.73 3huz h GLY 82 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.84 3huz h GLY 82 CO -0.10 0.00 0.56 -2.00 0.00 0.00 0.00 176.54 175.00 3huz h LEU 83 N -1.00 0.00 0.05 3.11 5.85 0.17 0.75 115.31 124.24 3huz h LEU 83 Ca -0.06 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.31 3huz h LEU 83 Cb 0.69 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3huz h LEU 83 CO -0.04 0.00 -2.01 1.17 -0.34 0.00 0.00 178.44 177.22 3huz n LYS 84 N -3.46 0.66 0.14 1.25 3.00 0.36 -2.61 118.16 117.49 3huz n LYS 84 Ca 0.08 0.32 0.11 0.00 -0.00 0.00 0.00 58.31 58.81 3huz n LYS 84 Cb 0.73 -1.64 0.51 0.00 0.00 0.00 0.00 35.03 34.63 3huz n LYS 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3huz n LYS 85 N -3.79 0.16 -0.31 1.64 0.00 0.10 0.19 118.16 116.15 3huz n LYS 85 Ca -0.39 0.52 0.11 0.00 0.00 0.00 0.00 58.31 58.55 3huz n LYS 85 Cb 0.92 -1.89 0.27 0.00 0.00 0.00 0.00 35.03 34.33 3huz n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huz n ALA 86 N -1.76 2.35 -4.02 3.14 0.00 0.24 -4.93 120.51 115.54 3huz n ALA 86 Ca 0.00 -1.21 -0.37 0.00 0.00 0.00 0.00 53.44 51.86 3huz n ALA 86 Cb 0.13 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 18.76 3huz n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 87 N 1.44 -0.64 2.10 0.00 0.00 0.13 -4.85 105.19 103.37 3huz n GLY 87 Ca 0.21 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 3huz n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3huz n ILE 88 N -4.20 3.07 -0.40 -0.61 -6.64 -1.07 -4.98 119.36 104.53 3huz n ILE 88 Ca -0.09 -3.42 0.00 0.00 -1.77 0.00 0.00 62.75 57.47 3huz n ILE 88 Cb 0.44 -1.06 0.00 0.00 -1.44 0.00 0.00 39.64 37.58 3huz n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 3huz n GLU 89 N -0.86 0.00 0.00 6.28 0.28 -1.26 -4.43 120.64 120.65 3huz n GLU 89 Ca 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 3huz n GLU 89 Cb 0.86 -0.49 0.00 0.00 1.43 0.00 0.00 31.44 33.23 3huz n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3huz n VAL 90 N 1.54 0.00 0.00 3.84 0.31 -1.26 -4.91 118.33 117.85 3huz n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3huz n VAL 90 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3huz n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3huz n ASP 91 N 0.00 0.00 -1.15 4.52 4.64 -1.26 -4.50 116.55 118.79 3huz n ASP 91 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3huz n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3huz n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3huz n ARG 92 N 0.00 -1.62 0.00 -0.67 -4.01 -1.26 -0.62 116.66 108.49 3huz n ARG 92 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3huz n ARG 92 Cb 0.00 -1.60 0.00 0.00 -3.04 0.00 0.00 32.46 27.82 3huz n ARG 92 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3huz n LYS 93 N -0.86 0.00 -0.28 2.89 4.01 -1.26 -3.97 118.16 118.69 3huz n LYS 93 Ca 0.00 0.00 0.16 0.00 -0.51 0.00 0.00 58.31 57.96 3huz n LYS 93 Cb 0.17 0.00 0.43 0.00 -0.51 0.00 0.00 35.03 35.12 3huz n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 3huz h ASN 94 N 0.00 0.57 -0.12 4.39 -1.24 -1.96 0.55 115.58 117.77 3huz h ASN 94 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3huz h ASN 94 Cb 0.00 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.00 3huz h ASN 94 CO 0.00 0.23 0.00 0.18 -1.29 0.00 0.00 177.43 176.55 3huz n LEU 95 N -4.59 2.80 0.00 0.34 4.77 -1.10 -4.19 117.00 115.04 3huz n LEU 95 Ca 0.20 -1.15 0.08 0.00 -0.03 0.00 0.00 56.01 55.10 3huz n LEU 95 Cb 0.62 -0.06 0.40 0.00 -2.33 0.00 0.00 43.42 42.04 3huz n LEU 95 CO 0.28 0.53 0.71 0.00 -1.33 0.00 0.00 177.39 177.58 3huz n ALA 96 N 1.14 1.88 0.69 -1.18 0.00 0.19 -2.29 120.51 120.94 3huz n ALA 96 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3huz n ALA 96 Cb 0.50 -1.25 0.25 0.00 0.00 0.00 0.00 19.45 18.96 3huz n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3huz n ASP 97 N -1.26 0.00 -0.20 0.00 5.75 -1.22 -3.06 116.55 116.56 3huz n ASP 97 Ca 0.08 -0.42 -0.07 0.00 -0.01 0.00 0.00 54.79 54.37 3huz n ASP 97 Cb 0.12 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 3huz n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3huz h LEU 98 N 0.00 -1.33 0.00 -2.12 3.38 -1.71 0.41 115.31 113.93 3huz h LEU 98 Ca 0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3huz h LEU 98 Cb 0.00 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3huz h LEU 98 CO 0.00 -0.32 0.57 0.00 0.09 0.00 0.00 178.44 178.78 3huz n ALA 99 N -3.15 0.00 -1.02 1.53 0.00 -1.17 -1.07 120.51 115.63 3huz n ALA 99 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3huz n ALA 99 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3huz n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huz n VAL 100 N -1.58 0.00 -3.03 0.00 0.31 0.14 -4.70 118.33 109.46 3huz n VAL 100 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3huz n VAL 100 Cb 0.57 -0.35 -0.05 0.00 -0.91 0.00 0.00 33.84 33.11 3huz n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3huz s ARG 101 N 0.00 3.87 -1.20 5.55 0.52 -0.23 -4.21 118.95 123.25 3huz s ARG 101 Ca 0.00 0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 55.42 3huz s ARG 101 Cb 0.00 -2.43 0.03 0.00 0.52 0.00 0.00 34.95 33.07 3huz s ARG 101 CO 0.00 0.08 0.71 -0.85 0.02 0.00 0.00 175.30 175.26 3huz n GLU 102 N -0.80 -0.48 0.00 3.54 0.00 -1.26 -4.62 120.64 117.01 3huz n GLU 102 Ca 0.03 0.16 0.07 0.00 0.00 0.00 0.00 57.16 57.42 3huz n GLU 102 Cb 0.53 -2.91 0.40 0.00 0.00 0.00 0.00 31.44 29.46 3huz n GLU 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3huz n PRO 103 N -4.86 0.48 0.03 3.44 -0.04 -1.26 -2.45 135.00 130.36 3huz n PRO 103 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 3huz n PRO 103 Cb 0.57 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 3huz n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3huz h GLN 104 N 0.00 0.28 -0.34 0.54 7.50 -1.92 0.58 115.11 121.75 3huz h GLN 104 Ca 0.00 -0.48 0.04 0.00 0.50 0.00 0.00 58.65 58.71 3huz h GLN 104 Cb 0.00 0.18 -0.04 0.00 0.05 0.00 0.00 27.48 27.67 3huz h GLN 104 CO 0.00 1.16 0.13 0.28 -1.50 0.00 0.00 178.83 178.90 3huz h VAL 105 N 0.08 0.92 -0.25 -0.54 2.07 -1.84 3.20 116.25 119.89 3huz h VAL 105 Ca -0.36 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 3huz h VAL 105 Cb 2.05 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3huz h VAL 105 CO 0.13 0.05 -0.25 0.15 0.02 0.00 0.00 177.57 177.67 3huz h PHE 106 N 0.28 0.74 -0.30 1.57 3.57 -1.60 -2.56 116.94 118.63 3huz h PHE 106 Ca 0.15 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.45 3huz h PHE 106 Cb 0.11 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3huz h PHE 106 CO -0.13 0.93 0.15 0.00 -2.23 0.00 0.00 178.31 177.03 3huz h ALA 107 N 0.68 0.36 0.00 2.41 0.00 0.14 -2.34 119.26 120.50 3huz h ALA 107 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3huz h ALA 107 Cb 0.81 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3huz h ALA 107 CO 0.06 -0.24 -0.28 1.49 0.00 0.00 0.00 179.25 180.28 3huz h GLU 108 N 0.31 -0.41 -0.93 0.00 4.81 0.58 -1.67 114.58 117.27 3huz h GLU 108 Ca 0.12 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.66 3huz h GLU 108 Cb 0.04 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 29.36 3huz h GLU 108 CO -0.08 -0.28 0.30 -0.07 -0.73 0.00 0.00 179.01 178.15 3huz h LEU 109 N -0.43 0.07 0.03 1.64 3.38 -1.05 -0.90 115.31 118.05 3huz h LEU 109 Ca 0.06 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3huz h LEU 109 Cb 0.51 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3huz h LEU 109 CO -0.24 -0.22 -0.02 0.58 0.09 0.00 0.00 178.44 178.63 3huz h VAL 110 N 0.18 0.00 -0.96 1.22 2.07 -0.79 -0.95 116.25 117.01 3huz h VAL 110 Ca 0.63 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.45 3huz h VAL 110 Cb 1.37 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.98 3huz h VAL 110 CO -0.70 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 176.82 3huz h GLU 111 N -0.06 0.09 -0.76 1.57 4.39 -1.11 2.98 114.58 121.69 3huz h GLU 111 Ca -0.00 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3huz h GLU 111 Cb 0.05 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 3huz h GLU 111 CO 0.00 0.06 0.50 0.00 -1.16 0.00 0.00 179.01 178.41 3huz h ARG 112 N 0.09 0.57 0.10 2.33 2.47 -0.84 -0.98 114.38 118.11 3huz h ARG 112 Ca 0.66 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.34 3huz h ARG 112 Cb 1.50 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3huz h ARG 112 CO -0.78 0.38 -0.05 0.00 0.56 0.00 0.00 179.97 180.08 3huz h ALA 113 N 1.63 -0.13 0.00 0.04 0.00 0.68 -2.21 119.26 119.27 3huz h ALA 113 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3huz h ALA 113 Cb 0.59 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3huz h ALA 113 CO -0.13 -0.45 0.00 0.36 0.00 0.00 0.00 179.25 179.02 3huz n LYS 114 N -5.04 0.05 0.03 0.00 0.00 -0.59 -0.37 118.16 112.25 3huz n LYS 114 Ca -0.08 0.27 -0.08 0.00 -0.00 0.00 0.00 58.31 58.42 3huz n LYS 114 Cb 0.17 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.64 3huz n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huz h ALA 115 N 2.41 -0.19 -1.00 0.58 0.00 -0.62 -3.27 119.26 117.17 3huz h ALA 115 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3huz h ALA 115 Cb 0.15 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3huz h ALA 115 CO 0.00 -0.22 0.65 0.00 0.00 0.00 0.00 179.25 179.68 3huz h ALA 116 N -0.57 1.37 0.00 0.00 0.00 -0.85 -3.08 119.26 116.12 3huz h ALA 116 Ca -0.02 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 3huz h ALA 116 Cb 0.45 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3huz h ALA 116 CO 0.03 0.52 2.89 1.04 0.00 0.00 0.00 179.25 183.73 3huz n GLN 117 N -4.46 2.41 0.00 0.00 1.13 0.50 -4.91 117.38 112.05 3huz n GLN 117 Ca 0.14 -1.89 0.03 0.00 -1.94 0.00 0.00 57.00 53.34 3huz n GLN 117 Cb 0.13 -2.77 0.16 0.00 0.11 0.00 0.00 30.24 27.86 3huz n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03