#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n LEU 3 N 0.00 0.00 -3.55 2.45 4.32 -1.26 -5.01 117.00 113.95 3huz n LEU 3 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 3huz n LEU 3 Cb 0.00 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 41.59 3huz n LEU 3 CO 0.00 0.00 -0.33 1.51 -1.22 0.00 0.00 177.39 177.35 3huz s ASP 4 N -2.86 3.29 -0.07 -1.43 -4.77 -1.26 -5.05 116.67 104.53 3huz s ASP 4 Ca 0.00 -1.15 -0.03 0.00 -3.30 0.00 0.00 52.55 48.07 3huz s ASP 4 Cb 0.00 -0.32 0.04 0.00 -1.09 0.00 0.00 42.92 41.55 3huz s ASP 4 CO 0.00 -0.42 0.14 0.68 0.70 0.00 0.00 175.17 176.27 3huz s VAL 5 N 2.11 -0.12 0.25 2.11 -7.23 -1.26 -5.03 120.40 111.23 3huz s VAL 5 Ca 0.08 0.25 0.12 0.00 -1.81 0.00 0.00 61.98 60.62 3huz s VAL 5 Cb -0.16 -0.24 0.26 0.00 0.56 0.00 0.00 36.38 36.80 3huz s VAL 5 CO -0.31 0.10 1.12 0.00 -0.31 0.00 0.00 175.10 175.70 3huz n ALA 6 N 4.63 0.66 0.03 1.32 0.00 -1.26 0.17 120.51 126.05 3huz n ALA 6 Ca -0.18 0.73 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 3huz n ALA 6 Cb 0.51 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 3huz n ALA 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3huz h LEU 7 N 0.00 0.66 -1.09 0.00 6.46 -1.95 1.03 115.31 120.41 3huz h LEU 7 Ca 0.57 -0.44 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3huz h LEU 7 Cb 1.46 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 3huz h LEU 7 CO -0.57 1.21 -0.45 0.50 -0.62 0.00 0.00 178.44 178.51 3huz h LYS 8 N 0.37 0.00 0.13 1.25 3.64 0.12 -2.33 116.57 119.76 3huz h LYS 8 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3huz h LYS 8 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3huz h LYS 8 CO 0.14 0.45 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.62 3huz h ARG 9 N 0.00 -0.17 0.00 1.90 2.43 -0.47 -2.99 114.38 115.08 3huz h ARG 9 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3huz h ARG 9 Cb 0.80 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3huz h ARG 9 CO 0.06 0.27 0.43 -0.22 -1.51 0.00 0.00 179.97 179.00 3huz h LYS 10 N -0.90 0.00 0.00 0.20 1.63 0.12 -1.30 116.57 116.33 3huz h LYS 10 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3huz h LYS 10 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3huz h LYS 10 CO 0.03 0.00 -0.02 -0.92 -3.45 0.00 0.00 179.45 175.09 3huz h TYR 11 N 0.00 0.00 -0.70 1.91 3.20 -1.35 -2.26 116.97 117.77 3huz h TYR 11 Ca 0.00 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 3huz h TYR 11 Cb 0.86 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.00 3huz h TYR 11 CO 0.00 0.00 -0.34 1.88 -1.64 0.00 0.00 178.16 178.06 3huz h TYR 12 N -0.09 -0.93 -3.57 -3.82 0.99 -1.17 0.88 116.97 109.26 3huz h TYR 12 Ca 0.00 0.08 -0.73 0.00 2.00 0.00 0.00 58.73 60.08 3huz h TYR 12 Cb 0.02 0.51 -0.32 0.00 1.00 0.00 0.00 36.73 37.94 3huz h TYR 12 CO -0.01 -0.38 -0.11 -1.83 -0.00 0.00 0.00 178.16 175.83 3huz s GLU 13 N -6.00 3.15 0.00 4.88 -1.05 -0.58 -4.31 118.70 114.79 3huz s GLU 13 Ca -0.14 -2.76 0.00 0.00 -0.15 0.00 0.00 54.97 51.92 3huz s GLU 13 Cb 0.17 -4.04 0.00 0.00 -0.44 0.00 0.00 34.13 29.83 3huz s GLU 13 CO 0.70 -1.23 0.00 -1.91 0.95 0.00 0.00 175.26 173.77 3huz n GLU 14 N 3.25 0.00 0.08 -4.83 2.13 -1.24 -4.59 120.64 115.44 3huz n GLU 14 Ca 0.14 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.92 3huz n GLU 14 Cb 0.40 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.09 3huz n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3huz h VAL 15 N 0.00 0.00 -0.20 6.31 2.07 -1.07 -3.02 116.25 120.34 3huz h VAL 15 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3huz h VAL 15 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3huz h VAL 15 CO 0.00 0.00 -0.12 0.54 0.02 0.00 0.00 177.57 178.01 3huz n ARG 16 N -2.89 -0.09 -0.03 1.57 5.12 0.27 -1.62 116.66 119.00 3huz n ARG 16 Ca -0.03 0.74 -0.09 0.00 -1.93 0.00 0.00 57.85 56.55 3huz n ARG 16 Cb 0.10 -1.11 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 3huz n ARG 16 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3huz h PRO 17 N 0.00 -0.25 0.00 5.56 0.13 -1.78 -1.72 132.00 133.94 3huz h PRO 17 Ca 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3huz h PRO 17 Cb 0.08 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.27 3huz h PRO 17 CO -0.19 -0.17 0.10 -1.91 -0.23 0.00 0.00 178.00 175.60 3huz n GLU 18 N -5.37 0.00 -0.01 0.86 4.07 -0.64 0.37 120.64 119.92 3huz n GLU 18 Ca -0.02 0.22 0.09 0.00 -0.06 0.00 0.00 57.16 57.39 3huz n GLU 18 Cb 0.28 -1.60 -0.14 0.00 -0.06 0.00 0.00 31.44 29.92 3huz n GLU 18 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3huz n LEU 19 N -1.16 0.00 -0.05 4.31 4.77 -0.67 -2.48 117.00 121.73 3huz n LEU 19 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 3huz n LEU 19 Cb 0.10 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3huz n LEU 19 CO 0.00 0.01 0.04 0.40 -1.33 0.00 0.00 177.39 176.50 3huz h ILE 20 N 0.00 1.47 0.04 -0.08 2.04 0.68 0.10 117.51 121.75 3huz h ILE 20 Ca -0.01 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.50 3huz h ILE 20 Cb 0.86 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 3huz h ILE 20 CO 0.00 0.58 -0.02 -0.09 0.00 0.00 0.00 178.15 178.62 3huz h ARG 21 N -0.81 -0.06 -0.04 2.37 1.12 1.00 0.88 114.38 118.84 3huz h ARG 21 Ca -0.14 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.60 3huz h ARG 21 Cb 1.27 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.23 3huz h ARG 21 CO -0.01 -0.01 -0.59 0.00 -3.11 0.00 0.00 179.97 176.25 3huz h ARG 22 N -0.09 0.14 -0.03 0.20 3.08 -1.61 -3.32 114.38 112.75 3huz h ARG 22 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3huz h ARG 22 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3huz h ARG 22 CO 0.01 0.68 0.00 1.19 -1.07 0.00 0.00 179.97 180.78 3huz n PHE 23 N -3.87 0.10 -1.84 3.04 3.01 0.02 -5.03 117.46 112.90 3huz n PHE 23 Ca -0.02 -0.91 -0.07 0.00 1.01 0.00 0.00 57.45 57.46 3huz n PHE 23 Cb 0.60 -0.15 0.01 0.00 -0.01 0.00 0.00 39.48 39.92 3huz n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3huz n GLY 24 N -1.20 -0.04 0.00 1.37 0.00 0.30 -4.91 105.19 100.72 3huz n GLY 24 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3huz n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3huz n TYR 25 N -0.28 0.00 0.00 1.61 4.01 -1.25 -5.08 117.16 116.17 3huz n TYR 25 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3huz n TYR 25 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3huz n TYR 25 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3huz n GLN 26 N 0.00 0.00 -2.74 -0.72 1.13 -1.26 -5.11 117.38 108.69 3huz n GLN 26 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3huz n GLN 26 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 3huz n GLN 26 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3huz s ASN 27 N 1.64 7.30 0.00 1.08 0.01 -1.26 -4.89 114.94 118.82 3huz s ASN 27 Ca 0.00 1.58 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 3huz s ASN 27 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 3huz s ASN 27 CO 0.00 -0.29 0.55 0.52 -1.51 0.00 0.00 177.10 176.37 3huz n VAL 28 N 4.06 0.29 -0.61 1.60 0.31 -1.26 -1.26 118.33 121.46 3huz n VAL 28 Ca 0.06 0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.55 3huz n VAL 28 Cb 0.50 -1.08 0.29 0.00 -0.91 0.00 0.00 33.84 32.65 3huz n VAL 28 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3huz n TRP 29 N -1.05 1.16 -0.26 3.52 5.03 -1.26 -4.12 117.44 120.46 3huz n TRP 29 Ca 0.00 -0.65 0.00 0.00 3.03 0.00 0.00 57.50 59.88 3huz n TRP 29 Cb 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 31.31 30.07 3huz n TRP 29 CO 0.00 0.00 0.00 -0.85 -0.03 0.00 0.00 177.69 176.81 3huz n GLU 30 N 0.64 1.43 -2.37 -0.99 0.28 -0.39 -5.01 120.64 114.23 3huz n GLU 30 Ca 0.22 -0.11 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 3huz n GLU 30 Cb 0.80 -0.47 -0.02 0.00 1.43 0.00 0.00 31.44 33.18 3huz n GLU 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3huz s VAL 31 N -0.24 3.86 -0.05 3.84 0.11 -1.23 -4.90 120.40 121.80 3huz s VAL 31 Ca 0.00 0.82 -0.04 0.00 -2.93 0.00 0.00 61.98 59.83 3huz s VAL 31 Cb 0.00 -4.32 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 3huz s VAL 31 CO 0.00 -0.94 0.15 -2.65 -3.33 0.00 0.00 175.10 168.33 3huz n PRO 32 N 8.32 0.00 -3.94 1.54 -0.02 -1.26 -4.97 135.00 134.67 3huz n PRO 32 Ca 0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3huz n PRO 32 Cb 0.49 -0.14 -0.10 0.00 -0.02 0.00 0.00 33.50 33.73 3huz n PRO 32 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3huz s ARG 33 N 0.28 0.48 0.01 -0.52 3.52 -1.26 -4.92 118.95 116.53 3huz s ARG 33 Ca 0.10 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 3huz s ARG 33 Cb -0.14 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 3huz s ARG 33 CO 0.08 -0.11 1.16 -0.51 -0.81 0.00 0.00 175.30 175.11 3huz s LEU 34 N -1.78 4.34 -0.14 -0.88 1.43 -1.26 -0.99 118.68 119.40 3huz s LEU 34 Ca -0.10 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3huz s LEU 34 Cb -0.05 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3huz s LEU 34 CO -0.02 -0.47 0.09 -0.33 0.23 0.00 0.00 176.35 175.85 3huz h GLU 35 N 7.02 0.00 -2.97 1.70 5.08 -1.82 -3.47 114.58 120.11 3huz h GLU 35 Ca -0.39 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3huz h GLU 35 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3huz h GLU 35 CO 0.82 0.32 0.27 -1.59 -1.00 0.00 0.00 179.01 177.83 3huz s LYS 36 N -2.02 2.06 -0.30 2.33 -2.85 -1.24 -4.52 119.74 113.20 3huz s LYS 36 Ca -0.13 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 3huz s LYS 36 Cb 0.01 0.61 0.14 0.00 -2.06 0.00 0.00 37.83 36.53 3huz s LYS 36 CO 0.28 -0.96 0.32 0.08 0.10 0.00 0.00 175.35 175.17 3huz s VAL 37 N -2.81 -0.44 -0.22 1.79 1.01 -0.99 -1.75 120.40 117.00 3huz s VAL 37 Ca 0.14 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 3huz s VAL 37 Cb -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3huz s VAL 37 CO 0.10 -0.45 0.33 -0.69 0.00 0.00 0.00 175.10 174.39 3huz s VAL 38 N 2.31 5.24 0.06 2.92 1.01 -1.21 -2.46 120.40 128.28 3huz s VAL 38 Ca 0.10 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.63 3huz s VAL 38 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3huz s VAL 38 CO -0.30 0.27 0.16 -0.51 0.00 0.00 0.00 175.10 174.72 3huz s ILE 39 N 1.32 5.09 -0.01 2.22 1.10 -0.78 -0.97 121.20 129.17 3huz s ILE 39 Ca 0.15 -0.49 -0.03 0.00 -0.51 0.00 0.00 60.65 59.78 3huz s ILE 39 Cb -0.14 -3.46 0.00 0.00 0.15 0.00 0.00 42.46 39.01 3huz s ILE 39 CO 0.07 0.16 0.07 0.21 -2.11 0.00 0.00 174.94 173.34 3huz s ASN 40 N -2.38 0.01 -0.15 4.50 3.84 0.25 -1.90 114.94 119.11 3huz s ASN 40 Ca 0.32 -0.06 0.02 0.00 0.21 0.00 0.00 52.86 53.35 3huz s ASN 40 Cb -0.13 0.16 0.01 0.00 -0.55 0.00 0.00 41.25 40.75 3huz s ASN 40 CO 0.25 -0.16 -0.20 -1.10 -2.79 0.00 0.00 177.10 173.10 3huz s GLN 41 N -0.58 2.84 -0.03 0.43 -0.21 0.11 0.50 119.66 122.71 3huz s GLN 41 Ca -0.07 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.53 3huz s GLN 41 Cb -0.04 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.60 3huz s GLN 41 CO 0.00 -0.09 0.06 0.78 -2.12 0.00 0.00 175.29 173.91 3huz h GLY 42 N 7.57 -0.02 0.00 3.09 0.00 -1.86 -2.60 103.07 109.26 3huz h GLY 42 Ca -0.36 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3huz h GLY 42 CO 0.57 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 178.14 3huz n LEU 43 N -2.89 0.00 0.00 3.11 7.99 -1.26 -4.22 117.00 119.73 3huz n LEU 43 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3huz n LEU 43 Cb 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 3huz n LEU 43 CO 0.01 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.50 3huz n GLY 44 N 0.00 0.89 1.70 -0.72 0.00 -1.26 -4.72 105.19 101.08 3huz n GLY 44 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3huz n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huz n GLU 45 N 0.00 0.00 -0.80 1.61 -0.58 -1.26 -3.80 120.64 115.80 3huz n GLU 45 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 3huz n GLU 45 Cb 0.00 -1.14 0.10 0.00 -0.57 0.00 0.00 31.44 29.83 3huz n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huz n ALA 46 N 1.35 4.59 -1.00 0.62 0.00 -1.26 -4.74 120.51 120.07 3huz n ALA 46 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.58 3huz n ALA 46 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3huz n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3huz n LYS 47 N -0.45 3.05 0.00 0.00 4.76 -1.25 -4.63 118.16 119.65 3huz n LYS 47 Ca 0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 3huz n LYS 47 Cb 1.14 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.33 3huz n LYS 47 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3huz n GLU 48 N 0.00 0.63 -1.51 1.97 -0.00 -1.26 -1.83 120.64 118.64 3huz n GLU 48 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 56.99 3huz n GLU 48 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.37 3huz n GLU 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3huz n ASP 49 N -0.79 -4.47 -2.69 -1.84 2.03 -1.26 -2.50 116.55 105.03 3huz n ASP 49 Ca 0.00 0.41 -0.06 0.00 0.52 0.00 0.00 54.79 55.67 3huz n ASP 49 Cb 0.00 -4.04 0.01 0.00 -0.72 0.00 0.00 41.12 36.37 3huz n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3huz n ALA 50 N 0.88 -2.92 -2.86 -1.67 0.00 -1.26 -4.93 120.51 107.75 3huz n ALA 50 Ca -0.17 0.86 -0.43 0.00 0.00 0.00 0.00 53.44 53.70 3huz n ALA 50 Cb 0.56 -2.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 3huz n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3huz s ARG 51 N -2.48 3.29 0.00 0.00 1.81 -0.76 -4.87 118.95 115.95 3huz s ARG 51 Ca 0.18 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3huz s ARG 51 Cb -0.05 -4.52 0.00 0.00 -0.45 0.00 0.00 34.95 29.93 3huz s ARG 51 CO 0.66 -1.83 0.02 -0.89 -0.68 0.00 0.00 175.30 172.57 3huz n ILE 52 N 5.85 0.00 -3.51 1.52 2.08 -1.26 -4.59 119.36 119.45 3huz n ILE 52 Ca 0.07 0.32 -0.19 0.00 0.56 0.00 0.00 62.75 63.51 3huz n ILE 52 Cb 0.47 -0.92 0.07 0.00 -0.75 0.00 0.00 39.64 38.51 3huz n ILE 52 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3huz n LEU 53 N -1.39 -3.90 -0.29 1.39 7.99 -1.26 -4.79 117.00 114.75 3huz n LEU 53 Ca 0.00 -0.72 0.10 0.00 -0.01 0.00 0.00 56.01 55.38 3huz n LEU 53 Cb 0.00 -2.95 -0.05 0.00 -0.11 0.00 0.00 43.42 40.31 3huz n LEU 53 CO 0.00 0.35 0.15 -0.62 -1.51 0.00 0.00 177.39 175.77 3huz n GLU 54 N -4.05 0.75 0.03 3.23 -0.58 -1.26 -3.54 120.64 115.22 3huz n GLU 54 Ca -0.25 -0.58 -0.01 0.00 -0.42 0.00 0.00 57.16 55.90 3huz n GLU 54 Cb 0.66 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.05 3huz n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3huz h LYS 55 N 1.40 -0.09 -0.85 3.49 3.11 -1.97 -0.70 116.57 120.96 3huz h LYS 55 Ca 0.00 0.01 0.14 0.00 -2.81 0.00 0.00 60.65 57.98 3huz h LYS 55 Cb 0.64 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.83 3huz h LYS 55 CO 0.00 -0.06 0.55 0.00 -2.81 0.00 0.00 179.45 177.13 3huz h ALA 56 N -1.82 1.88 0.45 5.00 0.00 -1.96 0.29 119.26 123.10 3huz h ALA 56 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3huz h ALA 56 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3huz h ALA 56 CO 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 179.25 178.74 3huz h ALA 57 N 1.61 -0.94 -0.07 0.00 0.00 -1.60 -0.32 119.26 117.93 3huz h ALA 57 Ca 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3huz h ALA 57 Cb 0.71 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3huz h ALA 57 CO -0.18 -1.07 0.00 0.00 0.00 0.00 0.00 179.25 178.00 3huz n GLN 58 N -5.52 1.29 -0.09 0.00 -0.00 -0.27 -3.02 117.38 109.77 3huz n GLN 58 Ca -0.11 -0.44 -0.14 0.00 -0.00 0.00 0.00 57.00 56.32 3huz n GLN 58 Cb 0.41 -1.31 -0.06 0.00 -0.00 0.00 0.00 30.24 29.29 3huz n GLN 58 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3huz n GLU 59 N -0.33 0.52 0.31 2.61 2.13 0.02 -3.83 120.64 122.07 3huz n GLU 59 Ca 0.14 0.42 0.13 0.00 0.66 0.00 0.00 57.16 58.51 3huz n GLU 59 Cb 0.16 -1.61 0.72 0.00 0.27 0.00 0.00 31.44 30.98 3huz n GLU 59 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3huz h LEU 60 N -1.00 0.00 -0.51 4.31 7.12 -1.15 0.91 115.31 124.98 3huz h LEU 60 Ca -0.19 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.66 3huz h LEU 60 Cb 0.99 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.11 3huz h LEU 60 CO -0.12 0.00 -0.45 0.00 -0.13 0.00 0.00 178.44 177.74 3huz h ALA 61 N 1.28 0.69 0.13 1.25 0.00 -1.64 -3.17 119.26 117.81 3huz h ALA 61 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3huz h ALA 61 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3huz h ALA 61 CO 0.00 0.67 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 3huz h LEU 62 N 0.57 -0.15 -1.94 0.00 4.07 0.75 0.24 115.31 118.85 3huz h LEU 62 Ca 0.04 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3huz h LEU 62 Cb 1.00 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3huz h LEU 62 CO 0.09 0.15 0.00 2.30 -1.08 0.00 0.00 178.44 179.91 3huz n ILE 63 N -5.04 0.37 0.05 1.22 -5.35 -1.15 -3.47 119.36 105.99 3huz n ILE 63 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3huz n ILE 63 Cb 0.20 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 3huz n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3huz n THR 64 N 0.77 0.00 0.00 7.28 5.66 -1.14 -5.04 114.28 121.82 3huz n THR 64 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3huz n THR 64 Cb 0.19 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 3huz n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3huz n GLY 65 N -1.33 1.99 3.46 1.09 0.00 0.84 -4.92 105.19 106.32 3huz n GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3huz n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3huz s GLN 66 N -0.91 0.58 -0.20 1.61 -0.21 -1.21 -5.09 119.66 114.23 3huz s GLN 66 Ca 0.00 0.95 -0.29 0.00 0.02 0.00 0.00 55.36 56.05 3huz s GLN 66 Cb 0.00 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.13 3huz s GLN 66 CO 0.00 -0.14 1.01 0.15 -2.12 0.00 0.00 175.29 174.19 3huz s LYS 67 N 1.22 4.30 0.91 2.91 1.02 -1.26 -4.34 119.74 124.49 3huz s LYS 67 Ca -0.07 1.33 -0.15 0.00 0.02 0.00 0.00 55.97 57.09 3huz s LYS 67 Cb -0.06 -3.61 0.23 0.00 -0.52 0.00 0.00 37.83 33.87 3huz s LYS 67 CO -0.12 -0.53 0.56 -2.30 -0.92 0.00 0.00 175.35 172.03 3huz n PRO 68 N 5.94 -3.67 -4.03 -1.68 -0.02 -1.26 -5.02 135.00 125.24 3huz n PRO 68 Ca 0.10 -0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 60.34 3huz n PRO 68 Cb 0.47 -1.17 -0.15 0.00 -0.02 0.00 0.00 33.50 32.62 3huz n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huz s ALA 69 N -2.17 2.33 -0.83 3.55 0.00 -1.02 -5.02 121.76 118.59 3huz s ALA 69 Ca 0.42 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 3huz s ALA 69 Cb -0.07 -1.48 -0.18 0.00 0.00 0.00 0.00 23.12 21.39 3huz s ALA 69 CO 0.35 -1.08 2.33 1.33 0.00 0.00 0.00 175.76 178.69 3huz n VAL 70 N 4.54 0.00 -2.03 0.00 0.24 -1.26 -3.47 118.33 116.34 3huz n VAL 70 Ca -0.14 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.34 61.36 3huz n VAL 70 Cb 0.44 -1.61 0.01 0.00 -1.47 0.00 0.00 33.84 31.21 3huz n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3huz s THR 71 N 12.16 3.85 0.37 3.34 -4.23 0.31 -4.98 115.64 126.47 3huz s THR 71 Ca 0.98 0.86 0.08 0.00 -1.18 0.00 0.00 61.69 62.43 3huz s THR 71 Cb -0.25 -3.40 -0.07 0.00 1.34 0.00 0.00 72.50 70.12 3huz s THR 71 CO 0.17 -0.53 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.55 3huz s ARG 72 N -4.13 1.91 0.05 3.99 0.52 -1.25 -3.25 118.95 116.79 3huz s ARG 72 Ca 0.63 -1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.62 3huz s ARG 72 Cb -0.16 -1.71 -0.06 0.00 0.52 0.00 0.00 34.95 33.54 3huz s ARG 72 CO 0.38 0.06 0.74 0.00 0.02 0.00 0.00 175.30 176.50 3huz s ALA 73 N -2.64 3.39 -0.12 2.13 0.00 -1.12 -4.94 121.76 118.46 3huz s ALA 73 Ca 0.34 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 3huz s ALA 73 Cb 0.05 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 3huz s ALA 73 CO 0.18 0.10 0.21 0.87 0.00 0.00 0.00 175.76 177.11 3huz h LYS 74 N 5.53 0.00 0.00 0.00 1.57 -1.90 -3.12 116.57 118.65 3huz h LYS 74 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3huz h LYS 74 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3huz h LYS 74 CO 0.70 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 181.55 3huz n LYS 75 N -4.69 2.05 -3.20 3.15 5.02 -1.26 -4.60 118.16 114.63 3huz n LYS 75 Ca -0.06 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 3huz n LYS 75 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.20 3huz n LYS 75 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3huz s SER 76 N -1.33 -0.78 -0.29 4.39 1.04 -1.26 -1.44 113.70 114.03 3huz s SER 76 Ca 0.00 0.57 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 3huz s SER 76 Cb 0.00 1.69 0.01 0.00 0.10 0.00 0.00 66.02 67.81 3huz s SER 76 CO 0.00 -0.15 0.06 -0.63 0.98 0.00 0.00 173.24 173.51 3huz s ILE 77 N 2.86 3.87 0.20 -1.02 -1.09 -1.25 -4.78 121.20 119.98 3huz s ILE 77 Ca 0.05 -0.69 0.36 0.00 -2.23 0.00 0.00 60.65 58.14 3huz s ILE 77 Cb -0.11 -2.98 0.40 0.00 -1.58 0.00 0.00 42.46 38.19 3huz s ILE 77 CO -0.15 0.11 2.06 -1.28 -1.23 0.00 0.00 174.94 174.44 3huz h SER 78 N 8.21 0.00 0.51 3.58 0.87 -1.85 -2.10 113.55 122.77 3huz h SER 78 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3huz h SER 78 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3huz h SER 78 CO 0.60 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.49 3huz n ASN 79 N -3.05 0.00 -2.73 6.23 4.13 -1.26 -4.08 115.26 114.50 3huz n ASN 79 Ca -0.00 0.35 -0.07 0.00 1.68 0.00 0.00 54.58 56.53 3huz n ASN 79 Cb 0.25 -0.43 0.06 0.00 -1.54 0.00 0.00 39.78 38.12 3huz n ASN 79 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3huz n PHE 80 N -1.43 -2.84 -0.06 3.10 -0.00 -0.79 -5.16 117.46 110.28 3huz n PHE 80 Ca 0.06 -1.60 0.00 0.00 -0.00 0.00 0.00 57.45 55.91 3huz n PHE 80 Cb 0.18 1.49 0.00 0.00 -0.00 0.00 0.00 39.48 41.16 3huz n PHE 80 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3huz n LYS 81 N 1.51 0.00 -1.21 -4.13 5.02 -1.22 -4.88 118.16 113.25 3huz n LYS 81 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3huz n LYS 81 Cb 0.65 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3huz n LYS 81 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3huz n LEU 82 N -0.65 -0.59 -3.65 -0.35 4.77 -1.26 -4.58 117.00 110.69 3huz n LEU 82 Ca 0.00 0.99 -0.03 0.00 -0.03 0.00 0.00 56.01 56.94 3huz n LEU 82 Cb 0.46 -2.09 -0.01 0.00 -2.33 0.00 0.00 43.42 39.45 3huz n LEU 82 CO 0.00 -0.25 0.87 0.00 -1.33 0.00 0.00 177.39 176.68 3huz s ARG 83 N -4.41 0.75 0.00 3.23 1.04 -1.26 -3.84 118.95 114.46 3huz s ARG 83 Ca 0.00 -0.38 0.00 0.00 -1.04 0.00 0.00 55.73 54.31 3huz s ARG 83 Cb 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 34.95 33.19 3huz s ARG 83 CO 0.00 -0.34 0.00 1.63 -0.04 0.00 0.00 175.30 176.55 3huz n LYS 84 N -0.40 0.00 0.00 3.89 5.02 -0.52 -4.59 118.16 121.56 3huz n LYS 84 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3huz n LYS 84 Cb 0.61 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 3huz n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huz n GLY 85 N 0.00 0.27 0.00 0.72 0.00 -1.18 -4.40 105.19 100.60 3huz n GLY 85 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3huz n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3huz n MET 86 N 0.00 0.00 0.00 1.61 0.00 -1.26 -2.78 117.12 114.69 3huz n MET 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3huz n MET 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3huz n MET 86 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3huz n PRO 87 N 0.00 0.00 -0.98 2.12 -0.02 -1.26 -4.66 135.00 130.19 3huz n PRO 87 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3huz n PRO 87 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 33.62 3huz n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3huz s ILE 88 N 0.00 2.61 0.00 4.25 1.10 -1.26 -4.81 121.20 123.09 3huz s ILE 88 Ca 0.00 0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.34 3huz s ILE 88 Cb 0.00 -2.48 0.00 0.00 0.15 0.00 0.00 42.46 40.13 3huz s ILE 88 CO 0.00 -0.26 0.00 0.61 -2.11 0.00 0.00 174.94 173.18 3huz n GLY 89 N -0.50 3.24 2.58 1.50 0.00 -1.20 -3.77 105.19 107.04 3huz n GLY 89 Ca 0.09 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3huz n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huz s LEU 90 N 0.00 0.65 -0.05 0.99 1.43 -0.98 -0.53 118.68 120.19 3huz s LEU 90 Ca 0.00 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.00 3huz s LEU 90 Cb 0.00 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 3huz s LEU 90 CO 0.00 -0.41 -0.19 -0.60 0.23 0.00 0.00 176.35 175.38 3huz s ARG 91 N 2.06 2.00 -0.14 1.70 3.00 -1.23 0.04 118.95 126.39 3huz s ARG 91 Ca 0.07 -0.66 -0.02 0.00 -1.00 0.00 0.00 55.73 54.11 3huz s ARG 91 Cb -0.16 -1.70 0.05 0.00 0.00 0.00 0.00 34.95 33.14 3huz s ARG 91 CO -0.29 0.25 0.03 0.54 0.00 0.00 0.00 175.30 175.83 3huz s VAL 92 N 0.07 0.38 -0.39 7.11 0.11 -0.80 -2.44 120.40 124.44 3huz s VAL 92 Ca -0.06 -0.21 -0.21 0.00 -2.93 0.00 0.00 61.98 58.57 3huz s VAL 92 Cb -0.13 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3huz s VAL 92 CO 0.03 -0.01 0.69 -0.89 -3.33 0.00 0.00 175.10 171.59 3huz s THR 93 N 1.94 4.80 -0.41 5.04 2.01 -1.26 -1.86 115.64 125.91 3huz s THR 93 Ca 0.02 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.37 3huz s THR 93 Cb -0.15 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.20 3huz s THR 93 CO -0.07 -0.47 0.35 -0.76 -0.69 0.00 0.00 174.62 172.98 3huz s LEU 94 N 2.91 4.96 0.14 4.42 1.43 -1.03 -4.99 118.68 126.52 3huz s LEU 94 Ca 0.26 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3huz s LEU 94 Cb -0.14 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3huz s LEU 94 CO 0.18 -0.49 0.10 -0.13 0.23 0.00 0.00 176.35 176.24 3huz s ARG 95 N 1.87 2.81 0.00 1.70 0.52 -1.26 -2.34 118.95 122.26 3huz s ARG 95 Ca 0.08 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3huz s ARG 95 Cb -0.18 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.67 3huz s ARG 95 CO 0.11 0.50 0.00 0.54 0.02 0.00 0.00 175.30 176.48 3huz n ARG 96 N -0.08 0.00 -0.26 3.54 1.74 -1.26 -2.27 116.66 118.07 3huz n ARG 96 Ca -0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 3huz n ARG 96 Cb 0.54 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.92 3huz n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3huz n ASP 97 N 0.56 -0.64 -0.31 0.55 9.92 -1.26 0.12 116.55 125.48 3huz n ASP 97 Ca 0.00 1.31 0.15 0.00 -0.53 0.00 0.00 54.79 55.73 3huz n ASP 97 Cb 0.00 -0.26 0.34 0.00 -0.64 0.00 0.00 41.12 40.56 3huz n ASP 97 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3huz h ARG 98 N 0.00 0.28 0.00 -1.24 2.47 -1.89 -3.20 114.38 110.81 3huz h ARG 98 Ca 0.10 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3huz h ARG 98 Cb 0.25 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3huz h ARG 98 CO -0.57 0.19 0.00 -0.12 0.56 0.00 0.00 179.97 180.03 3huz n MET 99 N -5.13 0.00 0.00 0.04 1.56 0.31 -3.81 117.12 110.09 3huz n MET 99 Ca 0.24 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.67 3huz n MET 99 Cb 0.74 -0.25 0.00 0.00 2.15 0.00 0.00 33.22 35.86 3huz n MET 99 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 175.97 176.15 3huz n TRP 100 N 0.00 0.00 -0.57 1.12 7.02 -0.97 0.21 117.44 124.26 3huz n TRP 100 Ca 0.00 0.00 0.46 0.00 -1.02 0.00 0.00 57.50 56.94 3huz n TRP 100 Cb 0.00 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 29.64 3huz n TRP 100 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 3huz h ILE 101 N 0.00 0.06 0.51 -0.99 -0.00 -1.71 0.16 117.51 115.53 3huz h ILE 101 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 3huz h ILE 101 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 36.89 3huz h ILE 101 CO 0.00 0.00 -0.24 0.15 -0.00 0.00 0.00 178.15 178.06 3huz h PHE 102 N 0.00 -0.63 -0.86 2.19 -0.00 0.24 -2.98 116.94 114.89 3huz h PHE 102 Ca 0.81 -0.01 0.13 0.00 -0.00 0.00 0.00 57.97 58.89 3huz h PHE 102 Cb 3.41 0.21 -0.07 0.00 -0.00 0.00 0.00 35.95 39.50 3huz h PHE 102 CO 0.00 -0.39 0.56 -0.07 -0.00 0.00 0.00 178.31 178.41 3huz h LEU 103 N -0.91 0.65 -0.80 0.59 4.07 -0.86 0.46 115.31 118.51 3huz h LEU 103 Ca -0.07 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.11 3huz h LEU 103 Cb 0.52 -0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.05 3huz h LEU 103 CO 0.11 0.35 0.23 -0.08 -1.08 0.00 0.00 178.44 177.97 3huz h GLU 104 N 0.70 0.28 0.10 1.13 4.81 -1.11 0.33 114.58 120.81 3huz h GLU 104 Ca 0.42 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.40 3huz h GLU 104 Cb 0.65 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.99 3huz h GLU 104 CO -0.19 0.18 -0.97 0.87 -0.73 0.00 0.00 179.01 178.18 3huz h LYS 105 N 0.29 0.49 0.00 1.92 1.57 -0.32 -3.17 116.57 117.34 3huz h LYS 105 Ca 0.47 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3huz h LYS 105 Cb 0.86 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3huz h LYS 105 CO -0.55 1.28 0.00 -0.11 -0.57 0.00 0.00 179.45 179.50 3huz n LEU 106 N -3.99 0.00 0.00 2.94 7.94 0.12 0.94 117.00 124.96 3huz n LEU 106 Ca -0.13 0.95 0.05 0.00 -1.11 0.00 0.00 56.01 55.77 3huz n LEU 106 Cb 0.87 -0.45 0.25 0.00 0.53 0.00 0.00 43.42 44.62 3huz n LEU 106 CO 0.53 -0.45 0.63 0.18 -1.11 0.00 0.00 177.39 177.17 3huz n LEU 107 N -2.54 0.00 -0.00 -1.96 4.77 0.88 -0.01 117.00 118.14 3huz n LEU 107 Ca 0.00 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 3huz n LEU 107 Cb 0.00 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 3huz n LEU 107 CO 0.00 -0.23 -0.06 0.59 -1.33 0.00 0.00 177.39 176.36 3huz n ASN 108 N -1.35 0.55 0.00 -1.43 4.13 -0.79 -4.39 115.26 111.99 3huz n ASN 108 Ca 0.04 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.77 3huz n ASN 108 Cb 0.09 1.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.35 3huz n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3huz n VAL 109 N -1.14 0.00 0.00 2.41 0.31 0.27 -4.80 118.33 115.38 3huz n VAL 109 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3huz n VAL 109 Cb 0.06 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3huz n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huz n ALA 110 N -1.46 0.00 -0.38 3.52 0.00 0.99 -3.37 120.51 119.81 3huz n ALA 110 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3huz n ALA 110 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3huz n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huz n LEU 111 N 0.00 -0.67 -0.04 0.00 4.77 -0.12 -2.14 117.00 118.81 3huz n LEU 111 Ca 0.00 1.69 -0.01 0.00 -0.03 0.00 0.00 56.01 57.67 3huz n LEU 111 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3huz n LEU 111 CO 0.00 -1.51 0.30 -2.65 -1.33 0.00 0.00 177.39 172.20 3huz n PRO 112 N -5.41 -0.04 -3.61 3.23 -0.02 -1.26 -3.31 135.00 124.59 3huz n PRO 112 Ca 0.09 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.82 3huz n PRO 112 Cb 0.38 -0.97 -0.10 0.00 -0.02 0.00 0.00 33.50 32.79 3huz n PRO 112 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3huz s ARG 113 N -3.33 2.58 0.20 -0.52 3.00 -0.91 -4.95 118.95 115.02 3huz s ARG 113 Ca -0.01 -1.48 0.06 0.00 -1.00 0.00 0.00 55.73 53.30 3huz s ARG 113 Cb 0.01 -3.78 -0.05 0.00 0.00 0.00 0.00 34.95 31.14 3huz s ARG 113 CO 0.05 -0.96 -0.09 0.42 0.00 0.00 0.00 175.30 174.72 3huz s ILE 114 N 1.41 1.38 0.00 4.11 1.01 -1.21 -4.77 121.20 123.14 3huz s ILE 114 Ca 0.03 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.57 3huz s ILE 114 Cb -0.23 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.15 3huz s ILE 114 CO 0.02 -0.56 0.11 0.54 0.00 0.00 0.00 174.94 175.05 3huz n ARG 115 N -0.35 0.00 0.00 2.79 1.74 -1.26 -3.22 116.66 116.36 3huz n ARG 115 Ca -0.08 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3huz n ARG 115 Cb 0.62 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 3huz n ARG 115 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3huz n ASP 116 N -1.66 2.71 0.00 0.55 9.92 -1.26 -5.11 116.55 121.69 3huz n ASP 116 Ca 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 3huz n ASP 116 Cb 0.00 0.81 0.00 0.00 -0.64 0.00 0.00 41.12 41.29 3huz n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3huz n PHE 117 N -1.08 0.00 -2.92 1.24 7.35 -1.20 -4.94 117.46 115.92 3huz n PHE 117 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 3huz n PHE 117 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 3huz n PHE 117 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3huz n ARG 118 N 0.00 1.01 0.00 -4.13 1.74 -1.26 -4.86 116.66 109.16 3huz n ARG 118 Ca 0.00 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 3huz n ARG 118 Cb 0.00 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3huz n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huz n GLY 119 N 0.27 0.07 3.78 -0.13 0.00 -1.26 -4.61 105.19 103.31 3huz n GLY 119 Ca 0.14 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3huz n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huz s LEU 120 N -0.35 3.34 0.17 0.99 1.43 0.72 -3.93 118.68 121.05 3huz s LEU 120 Ca 0.00 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 3huz s LEU 120 Cb 0.00 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 3huz s LEU 120 CO 0.00 -1.58 1.32 0.21 0.23 0.00 0.00 176.35 176.53 3huz s ASN 121 N -2.83 6.89 0.00 2.29 3.84 -1.26 0.23 114.94 124.10 3huz s ASN 121 Ca 0.65 2.36 0.16 0.00 0.21 0.00 0.00 52.86 56.24 3huz s ASN 121 Cb -0.19 -2.60 0.60 0.00 -0.55 0.00 0.00 41.25 38.51 3huz s ASN 121 CO 0.44 -0.55 1.44 -0.81 -2.79 0.00 0.00 177.10 174.82 3huz n PRO 122 N 3.03 1.65 -2.87 0.43 -0.04 -1.26 -4.13 135.00 131.81 3huz n PRO 122 Ca 0.08 -0.99 -0.28 0.00 -0.04 0.00 0.00 63.50 62.26 3huz n PRO 122 Cb 0.43 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3huz n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3huz n ASN 123 N 0.24 4.80 -2.13 3.54 4.13 -1.26 -4.74 115.26 119.84 3huz n ASN 123 Ca 0.14 -3.69 0.01 0.00 1.68 0.00 0.00 54.58 52.72 3huz n ASN 123 Cb 0.28 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 37.94 3huz n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3huz n SER 124 N -0.25 1.38 0.00 6.41 7.64 -1.26 -4.93 113.62 122.61 3huz n SER 124 Ca 0.33 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 58.12 3huz n SER 124 Cb 0.40 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3huz n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3huz n PHE 125 N -0.09 0.00 -2.98 1.43 3.01 -1.26 -2.23 117.46 115.35 3huz n PHE 125 Ca 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.53 3huz n PHE 125 Cb 0.97 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.43 3huz n PHE 125 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3huz n ASP 126 N -0.96 -6.61 0.00 4.37 8.00 -1.26 -3.47 116.55 116.62 3huz n ASP 126 Ca 0.00 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3huz n ASP 126 Cb 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 3huz n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huz n GLY 127 N 1.31 2.91 3.68 0.44 0.00 -1.26 -4.97 105.19 107.31 3huz n GLY 127 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3huz n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huz s ARG 128 N 0.00 4.29 0.00 1.61 1.81 -1.23 -4.76 118.95 120.67 3huz s ARG 128 Ca 0.00 0.65 0.07 0.00 -1.72 0.00 0.00 55.73 54.73 3huz s ARG 128 Cb 0.00 -3.52 0.41 0.00 -0.45 0.00 0.00 34.95 31.39 3huz s ARG 128 CO 0.00 -0.09 0.85 0.41 -0.68 0.00 0.00 175.30 175.78 3huz n GLY 129 N 3.53 -0.45 3.80 -3.53 0.00 -1.26 -4.44 105.19 102.83 3huz n GLY 129 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3huz n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huz s ASN 130 N -1.76 4.54 0.01 1.61 0.01 -1.26 -3.98 114.94 114.11 3huz s ASN 130 Ca 0.10 -1.11 -0.11 0.00 -0.71 0.00 0.00 52.86 51.03 3huz s ASN 130 Cb 0.05 -0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.49 3huz s ASN 130 CO 0.08 -0.70 0.24 -0.47 -1.51 0.00 0.00 177.10 174.73 3huz s TYR 131 N -2.64 -0.05 0.04 2.20 5.04 -0.44 -4.33 117.35 117.16 3huz s TYR 131 Ca 0.38 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.00 3huz s TYR 131 Cb 0.01 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.33 3huz s TYR 131 CO 0.22 -0.40 -0.05 -0.80 -1.34 0.00 0.00 175.55 173.18 3huz s ASN 132 N -1.66 0.58 0.25 4.32 0.01 -0.95 -0.53 114.94 116.96 3huz s ASN 132 Ca -0.10 -0.59 -0.17 0.00 -0.71 0.00 0.00 52.86 51.29 3huz s ASN 132 Cb -0.04 0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.71 3huz s ASN 132 CO 0.00 -0.30 0.57 -1.48 -1.51 0.00 0.00 177.10 174.39 3huz s LEU 133 N -1.73 0.07 0.25 0.60 2.34 -0.39 -4.81 118.68 115.00 3huz s LEU 133 Ca -0.10 -0.74 0.07 0.00 0.06 0.00 0.00 54.13 53.41 3huz s LEU 133 Cb -0.08 2.18 -0.05 0.00 -0.56 0.00 0.00 46.19 47.68 3huz s LEU 133 CO -0.01 -1.20 -0.08 -0.83 -1.06 0.00 0.00 176.35 173.16 3huz s GLY 134 N -2.96 1.65 -0.03 -3.48 0.00 -1.26 -0.69 107.32 100.54 3huz s GLY 134 Ca 0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 3huz s GLY 134 CO 0.07 -1.79 0.10 1.08 0.00 0.00 0.00 173.10 172.55 3huz s LEU 135 N -3.38 1.64 -0.24 0.66 1.02 0.11 -4.95 118.68 113.55 3huz s LEU 135 Ca 0.27 0.15 -0.08 0.00 0.02 0.00 0.00 54.13 54.49 3huz s LEU 135 Cb 0.02 0.36 -0.17 0.00 0.02 0.00 0.00 46.19 46.42 3huz s LEU 135 CO 0.10 -0.07 -0.12 -2.11 0.02 0.00 0.00 176.35 174.17 3huz n ARG 136 N 2.87 0.64 -3.72 1.70 1.85 -1.26 -0.18 116.66 118.56 3huz n ARG 136 Ca -0.13 0.26 -0.37 0.00 -1.00 0.00 0.00 57.85 56.61 3huz n ARG 136 Cb 0.59 -1.57 -0.06 0.00 -1.05 0.00 0.00 32.46 30.37 3huz n ARG 136 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3huz s GLU 137 N -2.50 3.77 0.00 2.89 2.02 -1.26 0.92 118.70 124.53 3huz s GLU 137 Ca -0.34 0.03 0.25 0.00 0.02 0.00 0.00 54.97 54.94 3huz s GLU 137 Cb 0.10 -3.26 0.52 0.00 0.10 0.00 0.00 34.13 31.59 3huz s GLU 137 CO 0.59 0.62 1.43 0.00 0.02 0.00 0.00 175.26 177.92 3huz n GLN 138 N 2.36 1.66 -0.20 1.61 0.00 -1.26 -4.04 117.38 117.50 3huz n GLN 138 Ca -0.17 -1.21 0.05 0.00 0.00 0.00 0.00 57.00 55.68 3huz n GLN 138 Cb 0.54 -1.47 0.16 0.00 0.00 0.00 0.00 30.24 29.46 3huz n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3huz n LEU 139 N 0.38 2.01 0.02 2.61 -0.00 -1.26 -3.96 117.00 116.80 3huz n LEU 139 Ca 0.14 -1.00 0.07 0.00 -0.00 0.00 0.00 56.01 55.22 3huz n LEU 139 Cb 0.46 -0.27 0.30 0.00 -0.00 0.00 0.00 43.42 43.91 3huz n LEU 139 CO 0.20 0.46 0.72 -0.38 -0.00 0.00 0.00 177.39 178.39 3huz n ILE 140 N 0.50 1.11 -3.00 1.47 5.41 -1.26 -4.75 119.36 118.83 3huz n ILE 140 Ca 0.12 0.29 -0.23 0.00 1.00 0.00 0.00 62.75 63.93 3huz n ILE 140 Cb 0.34 -1.11 0.01 0.00 -0.71 0.00 0.00 39.64 38.17 3huz n ILE 140 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3huz s PHE 141 N -3.06 3.28 -0.28 1.39 2.99 -1.25 -3.93 117.98 117.12 3huz s PHE 141 Ca 0.05 0.30 0.19 0.00 0.00 0.00 0.00 56.93 57.47 3huz s PHE 141 Cb 0.08 -2.27 0.18 0.00 0.00 0.00 0.00 43.02 41.02 3huz s PHE 141 CO 0.25 -0.30 1.50 -1.00 -0.00 0.00 0.00 175.22 175.66 3huz h PRO 142 N 0.42 0.00 -1.94 0.24 0.13 -1.93 -3.29 132.00 125.63 3huz h PRO 142 Ca -0.47 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 3huz h PRO 142 Cb 1.24 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 3huz h PRO 142 CO 0.58 0.27 0.42 0.39 -0.23 0.00 0.00 178.00 179.43 3huz n GLU 143 N -3.15 2.36 -3.14 0.86 -0.58 -1.26 -4.65 120.64 111.07 3huz n GLU 143 Ca 0.03 -2.33 0.02 0.00 -0.42 0.00 0.00 57.16 54.46 3huz n GLU 143 Cb 0.64 -2.10 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 3huz n GLU 143 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3huz s ILE 144 N -2.38 -0.87 0.00 -3.67 1.10 -1.24 -4.23 121.20 109.90 3huz s ILE 144 Ca 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.70 3huz s ILE 144 Cb 0.38 -0.19 0.00 0.00 0.15 0.00 0.00 42.46 42.79 3huz s ILE 144 CO -0.21 0.00 0.00 0.35 -2.11 0.00 0.00 174.94 172.97 3huz n THR 145 N 4.54 0.00 0.00 4.00 -2.24 -1.26 -4.87 114.28 114.44 3huz n THR 145 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3huz n THR 145 Cb 0.57 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3huz n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz n TYR 146 N -0.03 0.00 0.22 4.78 9.36 -1.26 -4.76 117.16 125.48 3huz n TYR 146 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 3huz n TYR 146 Cb 0.00 0.13 0.14 0.00 -0.63 0.00 0.00 39.34 38.97 3huz n TYR 146 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3huz n ASP 147 N -2.52 0.00 -3.60 2.98 5.68 -1.26 -3.54 116.55 114.29 3huz n ASP 147 Ca 0.00 0.46 -0.28 0.00 -0.50 0.00 0.00 54.79 54.48 3huz n ASP 147 Cb 0.29 -0.47 -0.09 0.00 -1.14 0.00 0.00 41.12 39.71 3huz n ASP 147 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3huz n MET 148 N -1.47 2.31 -3.30 0.11 1.56 -1.26 -4.95 117.12 110.11 3huz n MET 148 Ca 0.02 -4.61 -0.09 0.00 -0.27 0.00 0.00 57.70 52.75 3huz n MET 148 Cb 0.07 -2.27 -0.06 0.00 2.15 0.00 0.00 33.22 33.11 3huz n MET 148 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3huz s VAL 149 N -2.13 -0.64 0.29 1.12 1.01 -1.23 -4.83 120.40 113.98 3huz s VAL 149 Ca 0.35 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3huz s VAL 149 Cb 0.08 -0.97 0.28 0.00 0.00 0.00 0.00 36.38 35.77 3huz s VAL 149 CO -0.07 -0.26 1.76 -2.24 0.00 0.00 0.00 175.10 174.29 3huz h ASP 150 N 8.16 0.63 -3.99 3.32 2.03 -1.93 -3.45 116.42 121.19 3huz h ASP 150 Ca -0.10 0.11 0.20 0.00 -0.73 0.00 0.00 57.03 56.50 3huz h ASP 150 Cb 1.13 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.42 3huz h ASP 150 CO 0.26 0.21 0.75 0.00 -1.03 0.00 0.00 179.24 179.43 3huz s ALA 151 N -5.89 -2.03 1.01 4.15 0.00 -1.26 -5.16 121.76 112.58 3huz s ALA 151 Ca -0.12 1.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 3huz s ALA 151 Cb 0.24 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3huz s ALA 151 CO 0.79 -0.45 -0.13 -0.11 0.00 0.00 0.00 175.76 175.86 3huz n LEU 152 N 0.23 -2.19 0.00 0.00 7.94 -1.26 -4.98 117.00 116.75 3huz n LEU 152 Ca -0.03 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3huz n LEU 152 Cb 0.59 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.55 3huz n LEU 152 CO 0.10 -3.87 0.00 -1.14 -1.11 0.00 0.00 177.39 171.38 3huz n ARG 153 N -0.55 0.00 0.00 1.96 0.63 -1.24 -5.02 116.66 112.44 3huz n ARG 153 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3huz n ARG 153 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 3huz n ARG 153 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huz n GLY 154 N 0.00 -2.21 3.89 5.14 0.00 0.26 -4.49 105.19 107.78 3huz n GLY 154 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 3huz n GLY 154 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3huz s MET 155 N 0.00 1.39 -0.08 1.61 0.23 0.74 -4.68 119.30 118.52 3huz s MET 155 Ca 0.00 -0.90 0.04 0.00 -1.03 0.00 0.00 55.69 53.79 3huz s MET 155 Cb 0.00 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 3huz s MET 155 CO 0.00 -0.65 -0.20 -0.51 -2.03 0.00 0.00 175.02 171.62 3huz s ASP 156 N -3.41 3.47 -0.04 -1.18 1.01 0.18 0.10 116.67 116.80 3huz s ASP 156 Ca 0.22 -0.42 0.05 0.00 0.71 0.00 0.00 52.55 53.11 3huz s ASP 156 Cb -0.03 -1.13 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 3huz s ASP 156 CO 0.06 0.23 -0.17 -0.63 0.21 0.00 0.00 175.17 174.87 3huz s ILE 157 N -0.04 2.84 0.32 0.77 1.01 0.13 0.84 121.20 127.07 3huz s ILE 157 Ca -0.06 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.84 3huz s ILE 157 Cb -0.14 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 3huz s ILE 157 CO 0.05 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.49 3huz s ALA 158 N -0.72 2.72 -0.27 9.38 0.00 -0.14 -1.27 121.76 131.45 3huz s ALA 158 Ca 0.11 -2.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.03 3huz s ALA 158 Cb -0.10 0.09 0.16 0.00 0.00 0.00 0.00 23.12 23.26 3huz s ALA 158 CO 0.01 -0.01 0.46 0.54 0.00 0.00 0.00 175.76 176.76 3huz s VAL 159 N -2.79 -0.75 0.41 0.00 0.11 0.31 -3.30 120.40 114.38 3huz s VAL 159 Ca 0.32 -0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 3huz s VAL 159 Cb 0.04 -0.92 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 3huz s VAL 159 CO 0.15 -0.11 0.86 -0.69 -3.33 0.00 0.00 175.10 171.98 3huz s VAL 160 N 2.66 4.57 -0.16 2.04 1.01 -0.72 -1.33 120.40 128.47 3huz s VAL 160 Ca 0.14 1.12 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 3huz s VAL 160 Cb -0.14 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.64 3huz s VAL 160 CO -0.21 -0.38 0.42 -0.89 0.00 0.00 0.00 175.10 174.04 3huz s THR 161 N -2.24 -0.01 -1.96 3.92 2.01 -1.26 -2.41 115.64 113.71 3huz s THR 161 Ca 0.57 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.68 3huz s THR 161 Cb -0.10 -0.60 0.22 0.00 0.01 0.00 0.00 72.50 72.03 3huz s THR 161 CO 0.21 0.01 0.95 0.35 -0.69 0.00 0.00 174.62 175.45 3huz n THR 162 N 3.21 0.07 -0.27 -0.82 -2.24 -0.16 -4.52 114.28 109.54 3huz n THR 162 Ca -0.16 0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 3huz n THR 162 Cb 0.57 -0.89 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 3huz n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz n ALA 163 N -1.02 -4.41 0.00 6.98 0.00 -1.26 -4.75 120.51 116.05 3huz n ALA 163 Ca 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.69 3huz n ALA 163 Cb 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3huz n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3huz n GLU 164 N -5.17 2.18 -4.29 0.00 -0.58 -1.26 -4.51 120.64 107.01 3huz n GLU 164 Ca 0.13 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.64 3huz n GLU 164 Cb 0.56 -0.49 -0.07 0.00 -0.57 0.00 0.00 31.44 30.86 3huz n GLU 164 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3huz s THR 165 N -0.63 3.39 -2.00 2.62 -4.23 -1.26 -4.41 115.64 109.12 3huz s THR 165 Ca 0.00 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 58.67 3huz s THR 165 Cb 0.00 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.19 3huz s THR 165 CO 0.00 -0.36 0.91 -0.67 -0.54 0.00 0.00 174.62 173.96 3huz n ASP 166 N -0.91 0.00 -0.03 3.99 4.64 -1.26 -2.39 116.55 120.60 3huz n ASP 166 Ca -0.06 -0.92 -0.07 0.00 -1.38 0.00 0.00 54.79 52.36 3huz n ASP 166 Cb 0.59 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.65 3huz n ASP 166 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3huz n GLU 167 N -0.69 0.20 0.23 -0.67 4.71 -1.26 -3.06 120.64 120.10 3huz n GLU 167 Ca 0.05 0.09 0.16 0.00 -0.01 0.00 0.00 57.16 57.45 3huz n GLU 167 Cb 0.02 -0.85 0.72 0.00 -1.01 0.00 0.00 31.44 30.32 3huz n GLU 167 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3huz h GLU 168 N -0.36 0.00 0.00 3.49 5.08 -1.95 0.91 114.58 121.75 3huz h GLU 168 Ca -0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3huz h GLU 168 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3huz h GLU 168 CO -0.08 0.00 -0.52 0.00 -1.00 0.00 0.00 179.01 177.41 3huz h ALA 169 N 1.26 0.05 -0.79 3.43 0.00 -1.69 -2.69 119.26 118.84 3huz h ALA 169 Ca 0.09 -0.55 0.15 0.00 0.00 0.00 0.00 54.91 54.60 3huz h ALA 169 Cb 1.00 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 3huz h ALA 169 CO -0.00 0.41 0.52 -0.09 0.00 0.00 0.00 179.25 180.09 3huz h ARG 170 N -1.00 0.45 0.00 0.00 9.65 -0.96 -1.54 114.38 120.99 3huz h ARG 170 Ca -0.07 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3huz h ARG 170 Cb 0.60 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3huz h ARG 170 CO -0.04 0.30 0.00 0.00 2.80 0.00 0.00 179.97 183.03 3huz n ALA 171 N -2.50 -0.17 0.23 2.80 0.00 0.30 -2.72 120.51 118.45 3huz n ALA 171 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3huz n ALA 171 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3huz n ALA 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3huz n LEU 172 N -1.64 0.00 -0.11 0.00 7.94 -1.01 -0.23 117.00 121.95 3huz n LEU 172 Ca 0.00 0.36 -0.19 0.00 -1.11 0.00 0.00 56.01 55.06 3huz n LEU 172 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3huz n LEU 172 CO 0.00 -0.36 -0.90 0.18 -1.11 0.00 0.00 177.39 175.21 3huz n LEU 173 N -2.06 1.91 -0.33 -1.96 4.77 -0.60 -4.34 117.00 114.39 3huz n LEU 173 Ca 0.00 0.40 0.19 0.00 -0.03 0.00 0.00 56.01 56.57 3huz n LEU 173 Cb 0.85 -0.84 0.43 0.00 -2.33 0.00 0.00 43.42 41.52 3huz n LEU 173 CO 0.00 0.15 1.20 -0.08 -1.33 0.00 0.00 177.39 177.33 3huz h GLU 174 N -1.00 0.52 0.00 3.23 4.81 -0.40 0.55 114.58 122.29 3huz h GLU 174 Ca -0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3huz h GLU 174 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3huz h GLU 174 CO -0.21 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.69 3huz n LEU 175 N -4.73 0.00 -0.78 1.64 4.32 -0.64 -1.62 117.00 115.19 3huz n LEU 175 Ca 0.25 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 3huz n LEU 175 Cb 0.75 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.69 3huz n LEU 175 CO 0.22 0.00 0.59 0.18 -1.22 0.00 0.00 177.39 177.16 3huz n LEU 176 N -0.87 2.81 -0.28 2.23 4.77 0.19 -4.77 117.00 121.08 3huz n LEU 176 Ca 0.12 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 3huz n LEU 176 Cb 0.06 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3huz n LEU 176 CO 0.09 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3huz n GLY 177 N 0.93 0.88 3.57 -0.72 0.00 -0.64 -5.04 105.19 104.18 3huz n GLY 177 Ca 0.13 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3huz n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3huz s PHE 178 N -2.38 3.17 -1.18 1.61 0.40 -1.07 -4.89 117.98 113.64 3huz s PHE 178 Ca 0.00 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.44 3huz s PHE 178 Cb 0.00 -3.03 0.05 0.00 0.51 0.00 0.00 43.02 40.55 3huz s PHE 178 CO 0.00 -0.57 1.65 -2.14 0.70 0.00 0.00 175.22 174.87 3huz s PRO 179 N 2.57 3.71 0.26 0.24 0.02 -1.26 -4.58 135.00 135.96 3huz s PRO 179 Ca 0.22 -1.57 -0.23 0.00 0.02 0.00 0.00 61.00 59.44 3huz s PRO 179 Cb -0.15 -5.44 -0.09 0.00 0.02 0.00 0.00 34.50 28.84 3huz s PRO 179 CO 0.14 -2.38 0.82 -0.06 -0.33 0.00 0.00 177.00 175.19 3huz s PHE 180 N 5.08 3.68 -0.57 6.54 0.40 -1.26 0.26 117.98 132.11 3huz s PHE 180 Ca 0.52 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 58.42 3huz s PHE 180 Cb 0.02 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.80 3huz s PHE 180 CO 0.01 0.30 0.69 -2.13 0.70 0.00 0.00 175.22 174.79 3huz n ARG 181 N 0.71 0.00 0.00 0.44 3.00 0.63 -4.50 116.66 116.94 3huz n ARG 181 Ca -0.01 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 3huz n ARG 181 Cb 0.50 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 31.25 3huz n ARG 181 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80