#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n ASN 2 N 0.00 -0.05 -3.88 6.12 3.02 -1.26 -3.24 115.26 115.97 3huz n ASN 2 Ca 0.00 0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.44 3huz n ASN 2 Cb 0.00 -0.06 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 3huz n ASN 2 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3huz s ARG 3 N -3.70 1.37 0.62 3.52 1.81 -1.26 -4.97 118.95 116.34 3huz s ARG 3 Ca -0.01 -0.80 0.31 0.00 -1.72 0.00 0.00 55.73 53.52 3huz s ARG 3 Cb 0.01 -2.41 1.72 0.00 -0.45 0.00 0.00 34.95 33.81 3huz s ARG 3 CO 0.03 -0.59 2.05 0.78 -0.68 0.00 0.00 175.30 176.89 3huz h GLY 4 N 8.04 0.00 0.20 -3.53 0.00 -2.01 -0.38 103.07 105.40 3huz h GLY 4 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 3huz h GLY 4 CO 0.39 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.92 3huz h ALA 5 N 1.63 0.17 -1.00 3.60 0.00 -1.93 -3.35 119.26 118.38 3huz h ALA 5 Ca 0.07 -1.00 0.34 0.00 0.00 0.00 0.00 54.91 54.33 3huz h ALA 5 Cb 0.59 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 3huz h ALA 5 CO -0.00 0.58 0.54 1.25 0.00 0.00 0.00 179.25 181.62 3huz h LEU 6 N -0.75 0.43 0.27 0.00 6.46 -1.48 0.78 115.31 121.02 3huz h LEU 6 Ca -0.25 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3huz h LEU 6 Cb 1.40 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.48 3huz h LEU 6 CO -0.06 -0.22 -0.48 0.40 -0.62 0.00 0.00 178.44 177.46 3huz h ILE 7 N 0.23 0.00 -0.09 4.05 1.08 -1.58 -2.69 117.51 118.52 3huz h ILE 7 Ca 0.75 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 65.24 3huz h ILE 7 Cb 1.78 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 3huz h ILE 7 CO -0.65 0.00 -0.33 0.11 -0.69 0.00 0.00 178.15 176.59 3huz h LYS 8 N -0.80 -0.33 0.00 2.37 1.57 0.35 0.72 116.57 120.45 3huz h LYS 8 Ca -0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3huz h LYS 8 Cb 0.75 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3huz h LYS 8 CO -0.17 -0.22 0.80 1.28 -0.57 0.00 0.00 179.45 180.57 3huz n LEU 9 N -4.27 0.00 0.00 2.94 4.77 -0.29 -1.87 117.00 118.27 3huz n LEU 9 Ca -0.04 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3huz n LEU 9 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3huz n LEU 9 CO 0.05 -0.33 0.09 0.52 -1.33 0.00 0.00 177.39 176.39 3huz n VAL 10 N -1.96 0.00 0.07 4.08 0.31 0.25 -3.87 118.33 117.21 3huz n VAL 10 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 3huz n VAL 10 Cb 0.80 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3huz n VAL 10 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3huz n GLU 11 N -0.98 0.04 -1.36 5.55 -0.00 -0.78 -2.32 120.64 120.79 3huz n GLU 11 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.86 3huz n GLU 11 Cb 0.00 -1.01 0.04 0.00 -0.00 0.00 0.00 31.44 30.47 3huz n GLU 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3huz n SER 12 N -0.11 7.21 -1.33 -1.84 7.64 -1.18 -4.65 113.62 119.36 3huz n SER 12 Ca 0.00 -3.54 -0.03 0.00 1.01 0.00 0.00 58.87 56.31 3huz n SER 12 Cb 0.00 -1.05 0.01 0.00 -1.01 0.00 0.00 64.21 62.16 3huz n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3huz n ARG 13 N -0.28 1.13 -2.05 1.43 3.00 -0.98 -3.65 116.66 115.26 3huz n ARG 13 Ca 0.51 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.85 57.93 3huz n ARG 13 Cb 0.54 -1.11 0.04 0.00 0.00 0.00 0.00 32.46 31.93 3huz n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3huz n TYR 14 N 0.79 2.09 -3.75 -0.14 4.02 -1.26 -5.06 117.16 113.84 3huz n TYR 14 Ca 0.05 -2.08 -0.32 0.00 -0.01 0.00 0.00 57.90 55.54 3huz n TYR 14 Cb 0.56 -0.30 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 3huz n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3huz s VAL 15 N -4.16 5.25 0.00 -0.72 0.11 -1.24 -4.71 120.40 114.93 3huz s VAL 15 Ca 0.44 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 3huz s VAL 15 Cb 0.39 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 3huz s VAL 15 CO 0.01 0.16 0.00 0.54 -3.33 0.00 0.00 175.10 172.47 3huz n ARG 16 N 0.43 1.95 0.06 1.54 5.12 -1.26 -5.04 116.66 119.45 3huz n ARG 16 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3huz n ARG 16 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 3huz n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3huz n THR 17 N -0.52 0.00 -0.04 0.55 5.66 -1.26 -5.01 114.28 113.66 3huz n THR 17 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 3huz n THR 17 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 3huz n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3huz n ASP 18 N -2.66 -0.11 -4.68 1.09 5.75 -1.26 -4.34 116.55 110.34 3huz n ASP 18 Ca 0.00 0.27 -0.46 0.00 -0.01 0.00 0.00 54.79 54.59 3huz n ASP 18 Cb 0.00 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 3huz n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3huz n LEU 19 N -3.27 3.38 -4.77 -2.12 -0.00 -1.26 -4.95 117.00 104.02 3huz n LEU 19 Ca 0.00 1.03 -0.33 0.00 -0.00 0.00 0.00 56.01 56.71 3huz n LEU 19 Cb 0.03 -1.43 0.05 0.00 -0.00 0.00 0.00 43.42 42.07 3huz n LEU 19 CO -0.02 -0.13 0.74 -2.84 -0.00 0.00 0.00 177.39 175.15 3huz s PRO 20 N 2.19 2.69 -0.06 1.47 0.02 -1.26 -4.98 135.00 135.07 3huz s PRO 20 Ca 0.83 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 3huz s PRO 20 Cb -0.65 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 3huz s PRO 20 CO 0.42 -1.34 1.13 -2.00 -0.33 0.00 0.00 177.00 174.88 3huz s GLU 21 N -4.14 4.39 0.29 5.54 2.12 -1.26 -5.02 118.70 120.61 3huz s GLU 21 Ca 0.67 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.61 3huz s GLU 21 Cb -0.21 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 3huz s GLU 21 CO 0.43 -0.37 0.11 -0.59 -0.54 0.00 0.00 175.26 174.30 3huz s PHE 22 N 2.00 1.61 0.16 5.30 -0.12 -1.26 -5.12 117.98 120.55 3huz s PHE 22 Ca 0.54 -1.22 -0.20 0.00 -0.05 0.00 0.00 56.93 55.99 3huz s PHE 22 Cb -0.23 -0.94 0.05 0.00 -0.63 0.00 0.00 43.02 41.27 3huz s PHE 22 CO 0.22 -0.36 0.54 -0.98 -0.05 0.00 0.00 175.22 174.59 3huz s ARG 23 N -3.94 1.25 0.00 1.99 1.70 -1.26 -5.04 118.95 113.65 3huz s ARG 23 Ca 0.36 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 3huz s ARG 23 Cb 0.07 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 3huz s ARG 23 CO 0.15 -0.53 0.26 -2.30 -1.08 0.00 0.00 175.30 171.79 3huz n PRO 24 N -0.33 0.00 0.08 3.89 -0.02 -1.25 -3.89 135.00 133.48 3huz n PRO 24 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3huz n PRO 24 Cb 0.64 -0.43 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3huz n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 25 N 1.60 -0.47 0.00 -1.23 0.00 -1.24 -4.26 105.19 99.58 3huz n GLY 25 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3huz n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3huz n ASP 26 N -2.97 0.00 0.00 1.61 4.64 -1.25 -4.15 116.55 114.42 3huz n ASP 26 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3huz n ASP 26 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3huz n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3huz n THR 27 N 0.00 0.00 0.00 5.18 5.66 -1.25 -3.00 114.28 120.87 3huz n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3huz n THR 27 Cb 0.00 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 3huz n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3huz n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -0.29 118.33 118.19 3huz n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3huz n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3huz n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3huz n ARG 29 N 2.81 0.00 0.00 5.55 5.12 -0.27 -4.33 116.66 125.54 3huz n ARG 29 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3huz n ARG 29 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3huz n ARG 29 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3huz n VAL 30 N -1.56 0.00 0.00 1.55 0.24 -1.25 -4.30 118.33 113.01 3huz n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3huz n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3huz n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3huz n SER 31 N 0.00 0.00 0.00 -1.34 3.41 -0.62 -4.76 113.62 110.31 3huz n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3huz n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3huz n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huz n TYR 32 N 0.00 0.00 0.00 7.33 -0.00 -1.16 -3.35 117.16 119.98 3huz n TYR 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3huz n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3huz n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3huz n LYS 33 N 0.00 0.00 -2.57 -3.48 4.76 -1.25 -3.52 118.16 112.10 3huz n LYS 33 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3huz n LYS 33 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 3huz n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3huz s VAL 34 N 0.00 3.99 0.34 -0.18 1.01 -1.26 -4.10 120.40 120.20 3huz s VAL 34 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3huz s VAL 34 Cb 0.00 -5.08 0.05 0.00 0.00 0.00 0.00 36.38 31.35 3huz s VAL 34 CO 0.00 -1.95 0.79 -1.59 0.00 0.00 0.00 175.10 172.35 3huz s LYS 35 N 4.75 2.05 -0.71 2.72 -2.85 -1.26 -4.75 119.74 119.70 3huz s LYS 35 Ca 0.47 -1.27 -0.03 0.00 -1.00 0.00 0.00 55.97 54.14 3huz s LYS 35 Cb 0.01 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.39 3huz s LYS 35 CO -0.06 -0.96 0.45 -1.91 0.10 0.00 0.00 175.35 172.97 3huz n GLU 36 N -0.52 -3.22 -1.15 1.78 2.13 -1.26 -2.33 120.64 116.07 3huz n GLU 36 Ca -0.07 0.43 -0.09 0.00 0.66 0.00 0.00 57.16 58.09 3huz n GLU 36 Cb 0.60 -4.25 -0.04 0.00 0.27 0.00 0.00 31.44 28.02 3huz n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3huz n GLY 37 N -1.19 0.85 2.89 8.31 0.00 -1.26 -4.77 105.19 110.02 3huz n GLY 37 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 3huz n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s ASN 38 N -1.80 -1.27 0.04 1.61 2.20 -0.98 -5.03 114.94 109.70 3huz s ASN 38 Ca 0.00 -1.18 -0.07 0.00 -0.94 0.00 0.00 52.86 50.66 3huz s ASN 38 Cb 0.00 1.64 -0.02 0.00 -2.00 0.00 0.00 41.25 40.88 3huz s ASN 38 CO 0.00 -0.08 0.40 0.54 -2.94 0.00 0.00 177.10 175.02 3huz n ARG 39 N 3.40 -0.11 -0.66 3.55 3.00 -1.20 -3.91 116.66 120.73 3huz n ARG 39 Ca 0.14 0.39 -0.08 0.00 -0.01 0.00 0.00 57.85 58.29 3huz n ARG 39 Cb 0.58 -0.58 -0.09 0.00 0.00 0.00 0.00 32.46 32.38 3huz n ARG 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3huz n THR 40 N -4.12 0.00 -3.15 0.55 -2.24 -1.26 -3.99 114.28 100.07 3huz n THR 40 Ca 0.00 -0.24 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3huz n THR 40 Cb 0.06 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 3huz n THR 40 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3huz s ARG 41 N 3.13 0.13 0.62 -0.78 3.00 -1.25 -4.99 118.95 118.81 3huz s ARG 41 Ca 0.50 0.20 -0.15 0.00 -1.00 0.00 0.00 55.73 55.27 3huz s ARG 41 Cb -0.32 0.10 -0.02 0.00 0.00 0.00 0.00 34.95 34.71 3huz s ARG 41 CO 0.21 -0.19 1.07 0.96 0.00 0.00 0.00 175.30 177.35 3huz s ILE 42 N 2.96 3.71 0.04 4.11 -5.25 -1.23 -3.85 121.20 121.69 3huz s ILE 42 Ca 0.09 0.77 -0.06 0.00 -0.99 0.00 0.00 60.65 60.46 3huz s ILE 42 Cb -0.06 -3.32 -0.01 0.00 2.95 0.00 0.00 42.46 42.02 3huz s ILE 42 CO -0.15 -0.52 0.12 -1.58 -1.79 0.00 0.00 174.94 171.02 3huz s GLN 43 N -4.21 0.63 0.42 0.37 0.74 -1.23 -4.97 119.66 111.41 3huz s GLN 43 Ca 0.64 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 55.34 3huz s GLN 43 Cb -0.17 0.25 -0.06 0.00 1.10 0.00 0.00 33.01 34.14 3huz s GLN 43 CO 0.40 -0.17 0.14 -0.51 -0.55 0.00 0.00 175.29 174.60 3huz s ASP 44 N -2.23 4.28 -0.30 6.67 1.11 -1.26 -1.59 116.67 123.35 3huz s ASP 44 Ca -0.03 -1.17 0.04 0.00 0.18 0.00 0.00 52.55 51.57 3huz s ASP 44 Cb -0.00 -0.42 0.18 0.00 1.07 0.00 0.00 42.92 43.74 3huz s ASP 44 CO -0.05 -0.53 0.49 0.12 1.18 0.00 0.00 175.17 176.37 3huz s PHE 45 N -2.64 -1.32 -1.15 4.23 5.36 -1.26 -4.83 117.98 116.37 3huz s PHE 45 Ca 0.39 0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 56.80 3huz s PHE 45 Cb 0.05 0.03 0.25 0.00 -0.34 0.00 0.00 43.02 43.02 3huz s PHE 45 CO 0.21 -1.04 1.49 -1.91 -1.46 0.00 0.00 175.22 172.52 3huz n GLU 46 N 5.24 3.96 -4.64 10.12 2.13 -1.26 -1.11 120.64 135.08 3huz n GLU 46 Ca 0.04 -4.22 -0.29 0.00 0.66 0.00 0.00 57.16 53.35 3huz n GLU 46 Cb 0.51 -2.67 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 3huz n GLU 46 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3huz s GLY 47 N 0.01 2.68 0.61 8.31 0.00 -1.26 -4.88 107.32 112.78 3huz s GLY 47 Ca 0.34 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 3huz s GLY 47 CO 0.03 -2.06 1.04 -0.42 0.00 0.00 0.00 173.10 171.69 3huz s ILE 48 N -2.94 4.09 -0.52 0.90 1.01 -0.81 -3.63 121.20 119.32 3huz s ILE 48 Ca 0.22 0.88 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 3huz s ILE 48 Cb 0.05 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 39.14 3huz s ILE 48 CO 0.11 -0.69 0.46 0.54 0.00 0.00 0.00 174.94 175.36 3huz s VAL 49 N -2.71 5.06 -0.42 2.92 0.11 -1.26 -1.03 120.40 123.07 3huz s VAL 49 Ca 0.60 -1.48 0.25 0.00 -2.93 0.00 0.00 61.98 58.42 3huz s VAL 49 Cb -0.14 -4.22 0.34 0.00 -1.53 0.00 0.00 36.38 30.82 3huz s VAL 49 CO 0.42 -0.81 1.69 0.40 -3.33 0.00 0.00 175.10 173.47 3huz h ILE 50 N 5.91 0.00 -1.76 7.04 5.03 -1.67 -3.31 117.51 128.75 3huz h ILE 50 Ca -0.28 -0.83 0.02 0.00 -0.12 0.00 0.00 64.86 63.65 3huz h ILE 50 Cb 1.10 1.82 -0.22 0.00 -3.03 0.00 0.00 36.82 36.48 3huz h ILE 50 CO 0.99 0.00 0.36 -0.60 -0.68 0.00 0.00 178.15 178.22 3huz s ARG 51 N -3.25 0.74 -0.30 2.37 3.00 -1.22 -2.54 118.95 117.74 3huz s ARG 51 Ca 0.07 0.42 -0.03 0.00 -1.00 0.00 0.00 55.73 55.19 3huz s ARG 51 Cb 0.07 0.35 0.11 0.00 0.00 0.00 0.00 34.95 35.48 3huz s ARG 51 CO 0.63 -0.18 0.14 0.42 0.00 0.00 0.00 175.30 176.31 3huz s ILE 52 N -0.59 0.09 -0.03 4.11 1.01 -1.26 -1.05 121.20 123.48 3huz s ILE 52 Ca -0.03 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 3huz s ILE 52 Cb -0.02 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3huz s ILE 52 CO 0.02 -0.76 0.69 0.00 0.00 0.00 0.00 174.94 174.89 3huz s ARG 53 N 1.88 4.43 -0.03 2.79 1.70 -0.05 -4.99 118.95 124.68 3huz s ARG 53 Ca 0.10 0.89 0.01 0.00 -0.47 0.00 0.00 55.73 56.26 3huz s ARG 53 Cb -0.17 -3.41 -0.03 0.00 -0.57 0.00 0.00 34.95 30.77 3huz s ARG 53 CO -0.30 0.18 -0.01 1.03 -1.08 0.00 0.00 175.30 175.11 3huz s ARG 54 N 0.40 2.79 -0.36 3.89 0.52 -1.26 -2.25 118.95 122.68 3huz s ARG 54 Ca 0.36 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 55.09 3huz s ARG 54 Cb -0.18 -2.67 0.35 0.00 0.52 0.00 0.00 34.95 32.97 3huz s ARG 54 CO 0.19 0.64 1.36 -1.71 0.02 0.00 0.00 175.30 175.80 3huz n ASN 55 N 1.66 -1.63 0.00 0.23 5.15 -1.26 -4.99 115.26 114.42 3huz n ASN 55 Ca -0.16 -2.25 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 3huz n ASN 55 Cb 0.53 0.87 0.00 0.00 -0.53 0.00 0.00 39.78 40.65 3huz n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3huz n GLY 56 N -0.87 3.89 3.67 8.20 0.00 -1.26 -4.50 105.19 114.33 3huz n GLY 56 Ca -0.10 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3huz n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3huz s PHE 57 N 0.00 2.02 -1.41 1.61 5.99 -1.26 -3.43 117.98 121.50 3huz s PHE 57 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 56.93 58.16 3huz s PHE 57 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 43.02 39.85 3huz s PHE 57 CO 0.00 -2.74 0.30 0.27 -0.00 0.00 0.00 175.22 173.05 3huz n ASN 58 N -4.14 -1.00 -4.30 6.13 0.23 -1.26 -4.92 115.26 105.99 3huz n ASN 58 Ca 0.07 -1.22 -0.39 0.00 -0.53 0.00 0.00 54.58 52.51 3huz n ASN 58 Cb 0.54 -1.98 -0.12 0.00 -2.08 0.00 0.00 39.78 36.14 3huz n ASN 58 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3huz s THR 59 N -4.03 4.01 0.49 5.53 -1.32 -1.22 -4.58 115.64 114.52 3huz s THR 59 Ca 0.16 -1.05 -0.02 0.00 -1.21 0.00 0.00 61.69 59.57 3huz s THR 59 Cb -0.08 -3.26 -0.00 0.00 -1.51 0.00 0.00 72.50 67.65 3huz s THR 59 CO 0.96 -0.19 0.75 0.42 -2.21 0.00 0.00 174.62 174.35 3huz s THR 60 N 1.45 3.94 -0.00 5.08 -4.23 -0.96 -4.34 115.64 116.57 3huz s THR 60 Ca -0.01 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3huz s THR 60 Cb -0.19 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.15 3huz s THR 60 CO 0.04 -0.40 0.02 0.72 -0.54 0.00 0.00 174.62 174.46 3huz s PHE 61 N -2.70 0.05 -0.07 3.99 -0.12 0.11 -0.87 117.98 118.37 3huz s PHE 61 Ca 0.50 -0.09 0.03 0.00 -0.05 0.00 0.00 56.93 57.32 3huz s PHE 61 Cb -0.10 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 3huz s PHE 61 CO 0.40 -0.08 -0.16 0.95 -0.05 0.00 0.00 175.22 176.28 3huz s THR 62 N -0.48 2.90 -0.08 -4.49 -4.23 -0.22 0.12 115.64 109.15 3huz s THR 62 Ca -0.05 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3huz s THR 62 Cb -0.03 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 3huz s THR 62 CO -0.00 0.57 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.87 3huz s VAL 63 N -0.38 3.53 -0.13 2.29 1.01 0.32 -1.63 120.40 125.42 3huz s VAL 63 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3huz s VAL 63 Cb -0.12 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3huz s VAL 63 CO 0.02 0.58 -0.17 -0.60 0.00 0.00 0.00 175.10 174.93 3huz s ARG 64 N -0.53 2.52 -0.12 2.72 6.06 -0.20 0.20 118.95 129.60 3huz s ARG 64 Ca 0.08 -0.66 -0.10 0.00 -2.50 0.00 0.00 55.73 52.55 3huz s ARG 64 Cb -0.12 -2.15 0.04 0.00 0.06 0.00 0.00 34.95 32.78 3huz s ARG 64 CO 0.02 -0.11 0.32 0.21 -2.50 0.00 0.00 175.30 173.24 3huz s LYS 65 N 1.09 0.34 -0.29 5.12 2.47 -0.60 -1.92 119.74 125.96 3huz s LYS 65 Ca -0.03 0.51 -0.29 0.00 -1.56 0.00 0.00 55.97 54.60 3huz s LYS 65 Cb -0.14 0.10 -0.00 0.00 -1.46 0.00 0.00 37.83 36.32 3huz s LYS 65 CO -0.05 -0.08 1.39 0.08 0.16 0.00 0.00 175.35 176.85 3huz s VAL 66 N 0.54 4.01 -0.36 4.02 1.01 -1.26 -1.08 120.40 127.28 3huz s VAL 66 Ca -0.03 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 3huz s VAL 66 Cb -0.05 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3huz s VAL 66 CO -0.03 -0.46 0.23 -0.55 0.00 0.00 0.00 175.10 174.29 3huz s SER 67 N 3.27 5.88 0.70 3.32 0.15 0.21 -4.89 113.70 122.34 3huz s SER 67 Ca 0.60 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3huz s SER 67 Cb -0.18 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3huz s SER 67 CO 0.25 -0.30 0.00 -1.22 1.20 0.00 0.00 173.24 173.17 3huz n TYR 68 N 5.07 0.00 0.09 3.44 4.01 -1.26 -2.35 117.16 126.15 3huz n TYR 68 Ca -0.12 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 3huz n TYR 68 Cb 0.48 0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 3huz n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3huz h GLY 69 N 0.00 -1.16 -3.41 2.72 0.00 -2.03 -3.44 103.07 95.76 3huz h GLY 69 Ca 0.00 0.65 -0.51 0.00 0.00 0.00 0.00 47.33 47.48 3huz h GLY 69 CO 0.00 -0.26 0.14 0.14 0.00 0.00 0.00 176.54 176.56 3huz s VAL 70 N -5.68 4.54 0.77 4.60 1.01 -0.99 -5.05 120.40 119.60 3huz s VAL 70 Ca -0.16 1.29 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 3huz s VAL 70 Cb 0.06 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.67 3huz s VAL 70 CO 0.59 0.12 1.12 -0.83 0.00 0.00 0.00 175.10 176.10 3huz s GLY 71 N -1.76 1.61 -0.26 4.51 0.00 -1.26 0.65 107.32 110.81 3huz s GLY 71 Ca 0.46 -0.41 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 3huz s GLY 71 CO 0.20 0.02 0.57 0.14 0.00 0.00 0.00 173.10 174.04 3huz s VAL 72 N -3.37 -0.78 0.00 1.40 1.01 -0.24 -4.69 120.40 113.74 3huz s VAL 72 Ca 0.60 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 3huz s VAL 72 Cb -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3huz s VAL 72 CO 0.52 0.02 0.33 -1.61 0.00 0.00 0.00 175.10 174.36 3huz s GLU 73 N 2.66 3.72 -0.04 2.72 2.02 -1.26 -1.56 118.70 126.96 3huz s GLU 73 Ca -0.05 0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.13 3huz s GLU 73 Cb -0.11 -3.13 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 3huz s GLU 73 CO -0.17 0.67 -0.15 1.03 0.02 0.00 0.00 175.26 176.66 3huz s ARG 74 N -1.42 1.51 -0.26 1.61 1.81 0.54 -4.92 118.95 117.82 3huz s ARG 74 Ca 0.25 -0.52 -0.07 0.00 -1.72 0.00 0.00 55.73 53.67 3huz s ARG 74 Cb -0.14 -1.34 -0.02 0.00 -0.45 0.00 0.00 34.95 32.99 3huz s ARG 74 CO 0.13 0.22 0.07 0.42 -0.68 0.00 0.00 175.30 175.47 3huz s ILE 75 N 0.04 4.29 -0.12 1.52 1.01 -1.26 0.12 121.20 126.81 3huz s ILE 75 Ca -0.03 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3huz s ILE 75 Cb -0.10 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3huz s ILE 75 CO 0.01 0.31 -0.17 -0.36 0.00 0.00 0.00 174.94 174.73 3huz s PHE 76 N 1.61 2.72 0.39 3.97 0.40 0.31 -4.96 117.98 122.42 3huz s PHE 76 Ca 0.06 -0.77 0.13 0.00 -0.60 0.00 0.00 56.93 55.75 3huz s PHE 76 Cb -0.15 -1.79 0.95 0.00 0.51 0.00 0.00 43.02 42.54 3huz s PHE 76 CO 0.04 -0.27 1.88 -1.35 0.70 0.00 0.00 175.22 176.21 3huz h PRO 77 N 6.66 0.52 0.00 0.24 0.11 -1.88 0.31 132.00 137.96 3huz h PRO 77 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3huz h PRO 77 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3huz h PRO 77 CO 0.52 0.35 0.00 -0.11 -0.21 0.00 0.00 178.00 178.55 3huz n LEU 78 N -4.53 0.00 -3.54 2.35 0.00 -1.26 -3.60 117.00 106.41 3huz n LEU 78 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 56.07 3huz n LEU 78 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 43.42 43.71 3huz n LEU 78 CO 0.30 0.00 0.38 -1.00 0.00 0.00 0.00 177.39 177.07 3huz s HIS 79 N -2.00 -0.41 0.00 1.96 3.76 -1.26 -4.83 115.29 112.51 3huz s HIS 79 Ca 0.00 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 3huz s HIS 79 Cb 0.00 0.54 0.00 0.00 1.11 0.00 0.00 32.58 34.23 3huz s HIS 79 CO 0.00 -0.91 0.00 0.45 -0.85 0.00 0.00 174.74 173.43 3huz n SER 80 N -0.38 0.00 -1.51 1.40 2.88 -1.26 -4.61 113.62 110.15 3huz n SER 80 Ca -0.14 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.43 3huz n SER 80 Cb 0.64 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.40 3huz n SER 80 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3huz n PRO 81 N 0.00 3.59 -3.80 -1.46 -0.05 -1.26 -4.87 135.00 127.15 3huz n PRO 81 Ca 0.00 -3.04 -0.37 0.00 -0.05 0.00 0.00 63.50 60.05 3huz n PRO 81 Cb 0.00 -2.07 -0.13 0.00 -0.05 0.00 0.00 33.50 31.25 3huz n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3huz s LEU 82 N -2.91 3.86 0.01 1.53 1.02 -1.26 -3.01 118.68 117.93 3huz s LEU 82 Ca 0.50 -0.90 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 3huz s LEU 82 Cb 0.40 -1.83 -0.06 0.00 0.02 0.00 0.00 46.19 44.72 3huz s LEU 82 CO 0.11 -0.22 0.94 0.16 0.02 0.00 0.00 176.35 177.36 3huz h ILE 83 N 6.04 0.00 -4.57 -0.59 3.07 -1.85 -3.46 117.51 116.15 3huz h ILE 83 Ca -0.29 -0.09 -0.21 0.00 1.55 0.00 0.00 64.86 65.82 3huz h ILE 83 Cb 1.11 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.63 3huz h ILE 83 CO 0.59 0.00 -0.12 0.00 -1.05 0.00 0.00 178.15 177.58 3huz n GLN 84 N -3.35 1.31 -0.08 0.16 10.64 -1.26 -4.92 117.38 119.88 3huz n GLN 84 Ca -0.05 -1.22 0.00 0.00 -1.83 0.00 0.00 57.00 53.90 3huz n GLN 84 Cb 0.16 0.19 0.00 0.00 -0.86 0.00 0.00 30.24 29.73 3huz n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3huz n LYS 85 N -0.81 0.00 -1.14 2.61 4.81 -1.26 -4.41 118.16 117.95 3huz n LYS 85 Ca -0.03 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.05 3huz n LYS 85 Cb 0.22 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.32 3huz n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3huz n ILE 86 N 0.00 0.66 -3.99 3.15 3.06 -1.26 -4.65 119.36 116.33 3huz n ILE 86 Ca 0.00 -0.43 -0.26 0.00 -2.50 0.00 0.00 62.75 59.55 3huz n ILE 86 Cb 0.16 -0.33 -0.04 0.00 0.54 0.00 0.00 39.64 39.96 3huz n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3huz s ASP 87 N -1.27 6.07 0.00 9.51 1.47 -1.26 -4.46 116.67 126.73 3huz s ASP 87 Ca 0.55 0.08 0.00 0.00 1.18 0.00 0.00 52.55 54.36 3huz s ASP 87 Cb -0.33 -1.76 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 3huz s ASP 87 CO 0.68 0.06 0.39 -0.38 0.68 0.00 0.00 175.17 176.60 3huz n ILE 88 N -0.44 0.00 -3.41 2.11 2.08 0.61 -4.83 119.36 115.49 3huz n ILE 88 Ca -0.07 0.74 -0.20 0.00 0.56 0.00 0.00 62.75 63.78 3huz n ILE 88 Cb 0.54 -1.46 -0.10 0.00 -0.75 0.00 0.00 39.64 37.87 3huz n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3huz s VAL 89 N -1.08 -0.29 -0.81 1.39 1.01 -1.16 -5.05 120.40 114.41 3huz s VAL 89 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3huz s VAL 89 Cb 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 36.38 35.29 3huz s VAL 89 CO 0.00 -0.59 2.11 0.00 0.00 0.00 0.00 175.10 176.62 3huz n GLN 90 N 4.85 0.25 0.00 2.72 6.02 -1.26 -4.47 117.38 125.50 3huz n GLN 90 Ca 0.03 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 3huz n GLN 90 Cb 0.44 -2.90 0.00 0.00 1.02 0.00 0.00 30.24 28.80 3huz n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3huz n ARG 91 N 7.44 3.02 0.00 -1.09 1.74 -1.26 -3.74 116.66 122.77 3huz n ARG 91 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3huz n ARG 91 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3huz n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huz n GLY 92 N 4.99 0.03 4.99 -0.13 0.00 0.32 -4.32 105.19 111.08 3huz n GLY 92 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 92 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huz n ARG 93 N 0.00 0.00 -1.06 1.61 1.85 -1.26 -4.12 116.66 113.68 3huz n ARG 93 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.92 3huz n ARG 93 Cb 0.00 -0.40 -0.04 0.00 -1.05 0.00 0.00 32.46 30.97 3huz n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3huz n ALA 94 N 0.00 -2.30 -0.15 2.89 0.00 -1.26 -4.77 120.51 114.92 3huz n ALA 94 Ca 0.00 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.93 3huz n ALA 94 Cb 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 19.45 18.49 3huz n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huz n ARG 95 N -3.47 2.90 -3.72 0.00 5.12 -1.26 -5.00 116.66 111.22 3huz n ARG 95 Ca -0.04 -1.90 -0.14 0.00 -1.93 0.00 0.00 57.85 53.83 3huz n ARG 95 Cb 0.34 -1.20 -0.08 0.00 -1.16 0.00 0.00 32.46 30.36 3huz n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3huz s ARG 96 N -1.06 0.72 0.10 5.56 1.70 -1.26 -5.06 118.95 119.65 3huz s ARG 96 Ca 0.17 -0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 55.14 3huz s ARG 96 Cb 0.09 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.73 3huz s ARG 96 CO 0.11 -0.20 1.62 0.00 -1.08 0.00 0.00 175.30 175.74 3huz h ALA 97 N 3.79 0.35 -3.01 7.88 0.00 -1.96 -3.39 119.26 122.93 3huz h ALA 97 Ca -0.29 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 3huz h ALA 97 Cb 1.17 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 3huz h ALA 97 CO 0.39 -0.03 -0.63 0.15 0.00 0.00 0.00 179.25 179.14 3huz s LYS 98 N -5.42 3.18 -0.60 0.00 3.01 -1.26 -4.54 119.74 114.11 3huz s LYS 98 Ca -0.13 -0.80 0.05 0.00 -1.01 0.00 0.00 55.97 54.08 3huz s LYS 98 Cb 0.08 -3.35 0.32 0.00 -1.01 0.00 0.00 37.83 33.86 3huz s LYS 98 CO 0.73 -0.40 0.90 1.47 0.51 0.00 0.00 175.35 178.56 3huz n LEU 99 N 4.87 4.31 0.34 3.17 -0.00 -1.05 -4.88 117.00 123.76 3huz n LEU 99 Ca -0.15 -5.63 -0.16 0.00 -0.00 0.00 0.00 56.01 50.07 3huz n LEU 99 Cb 0.49 -0.59 -0.08 0.00 -0.00 0.00 0.00 43.42 43.24 3huz n LEU 99 CO 0.31 2.28 0.51 1.88 -0.00 0.00 0.00 177.39 182.38 3huz h TYR 100 N 3.29 -0.81 0.00 1.47 -1.99 -1.96 -3.32 116.97 113.66 3huz h TYR 100 Ca 0.15 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3huz h TYR 100 Cb 0.54 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.54 3huz h TYR 100 CO 0.81 -0.46 0.00 1.97 -0.00 0.00 0.00 178.16 180.47 3huz n PHE 101 N -5.40 0.00 0.53 4.88 -1.74 -1.26 -0.67 117.46 113.80 3huz n PHE 101 Ca -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.77 3huz n PHE 101 Cb 0.37 -0.23 0.00 0.00 1.52 0.00 0.00 39.48 41.14 3huz n PHE 101 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 3huz n ILE 102 N -1.40 0.80 -0.04 1.97 -5.35 -1.25 -2.67 119.36 111.42 3huz n ILE 102 Ca 0.00 -0.05 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 3huz n ILE 102 Cb 0.00 -0.92 -0.02 0.00 -1.74 0.00 0.00 39.64 36.96 3huz n ILE 102 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3huz n ARG 103 N 0.81 0.27 0.18 6.28 1.74 0.16 -4.33 116.66 121.77 3huz n ARG 103 Ca 0.00 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 3huz n ARG 103 Cb 0.34 -0.95 0.42 0.00 -1.02 0.00 0.00 32.46 31.26 3huz n ARG 103 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3huz h ASN 104 N -0.52 0.00 -1.32 0.55 2.35 -1.76 -3.20 115.58 111.68 3huz h ASN 104 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3huz h ASN 104 Cb 0.52 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.67 3huz h ASN 104 CO 0.00 0.00 -0.57 -0.76 -1.65 0.00 0.00 177.43 174.45 3huz s LEU 105 N -4.27 -0.91 -0.30 1.61 1.43 -1.24 -5.12 118.68 109.88 3huz s LEU 105 Ca -0.02 -1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 51.40 3huz s LEU 105 Cb 0.04 1.42 -0.03 0.00 0.03 0.00 0.00 46.19 47.66 3huz s LEU 105 CO 0.14 -0.14 0.19 -0.94 0.23 0.00 0.00 176.35 175.83 3huz s SER 106 N 1.17 5.85 0.00 2.29 1.04 -1.21 -4.37 113.70 118.46 3huz s SER 106 Ca 0.24 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3huz s SER 106 Cb -0.03 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.00 3huz s SER 106 CO -0.07 -0.14 0.00 -0.90 0.98 0.00 0.00 173.24 173.11 3huz n ASP 107 N 5.05 0.00 0.06 7.02 5.75 -1.26 -4.95 116.55 128.21 3huz n ASP 107 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.54 3huz n ASP 107 Cb 0.51 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 3huz n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3huz h ARG 108 N 0.00 0.09 -0.14 0.11 2.43 -2.00 -3.30 114.38 111.57 3huz h ARG 108 Ca 0.00 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3huz h ARG 108 Cb 0.00 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3huz h ARG 108 CO 0.00 0.99 -0.03 0.93 -1.51 0.00 0.00 179.97 180.35 3huz h GLU 109 N 0.02 0.01 -0.16 0.20 5.08 -1.93 -2.13 114.58 115.68 3huz h GLU 109 Ca -0.11 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3huz h GLU 109 Cb 1.88 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.08 3huz h GLU 109 CO 0.14 0.01 -0.44 0.82 -1.00 0.00 0.00 179.01 178.54 3huz h ILE 110 N 0.01 0.00 -1.29 3.13 2.04 -1.76 0.05 117.51 119.69 3huz h ILE 110 Ca 0.07 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.30 3huz h ILE 110 Cb 0.10 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 3huz h ILE 110 CO -0.14 0.00 1.06 0.03 0.00 0.00 0.00 178.15 179.10 3huz h ARG 111 N -0.43 0.00 -0.06 2.37 3.08 -1.48 0.88 114.38 118.74 3huz h ARG 111 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3huz h ARG 111 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3huz h ARG 111 CO -0.38 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.39 3huz n ARG 112 N -3.82 2.13 -0.01 0.04 0.63 -0.12 -3.85 116.66 111.65 3huz n ARG 112 Ca 0.28 -1.87 0.09 0.00 -0.92 0.00 0.00 57.85 55.44 3huz n ARG 112 Cb 1.47 -1.43 0.08 0.00 0.45 0.00 0.00 32.46 33.03 3huz n ARG 112 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3huz n LYS 113 N 1.27 1.57 -3.19 -0.14 4.01 0.30 -4.50 118.16 117.47 3huz n LYS 113 Ca 0.14 -1.62 -0.22 0.00 -0.51 0.00 0.00 58.31 56.10 3huz n LYS 113 Cb 0.56 -1.35 -0.05 0.00 -0.51 0.00 0.00 35.03 33.68 3huz n LYS 113 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3huz n LEU 114 N 1.02 0.79 -4.62 -0.35 4.77 -0.67 -4.74 117.00 113.20 3huz n LEU 114 Ca 0.11 -4.90 -0.29 0.00 -0.03 0.00 0.00 56.01 50.91 3huz n LEU 114 Cb 0.46 0.56 0.20 0.00 -2.33 0.00 0.00 43.42 42.31 3huz n LEU 114 CO 0.11 2.17 0.61 -0.13 -1.33 0.00 0.00 177.39 178.82 3huz s ARG 115 N -1.84 -0.11 -0.28 3.23 1.81 -1.26 -3.49 118.95 117.01 3huz s ARG 115 Ca 0.38 0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 54.61 3huz s ARG 115 Cb 0.25 -1.67 -0.02 0.00 -0.45 0.00 0.00 34.95 33.05 3huz s ARG 115 CO -0.09 -3.09 1.66 0.00 -0.68 0.00 0.00 175.30 173.09 3huz s ALA 116 N -2.85 3.11 -0.62 2.13 0.00 -1.26 0.12 121.76 122.38 3huz s ALA 116 Ca 0.67 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3huz s ALA 116 Cb -0.19 -3.92 -0.24 0.00 0.00 0.00 0.00 23.12 18.77 3huz s ALA 116 CO 0.59 -2.24 1.84 -3.47 0.00 0.00 0.00 175.76 172.48 3huz n ASP 117 N 9.13 1.89 0.00 0.00 -0.08 -1.25 -4.77 116.55 121.47 3huz n ASP 117 Ca 0.20 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.89 3huz n ASP 117 Cb 0.46 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.82 3huz n ASP 117 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3huz n ARG 118 N 7.74 0.00 -0.29 -0.67 5.12 -1.26 -1.09 116.66 126.21 3huz n ARG 118 Ca 0.47 0.86 0.04 0.00 -1.93 0.00 0.00 57.85 57.28 3huz n ARG 118 Cb 0.43 -1.31 0.10 0.00 -1.16 0.00 0.00 32.46 30.51 3huz n ARG 118 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3huz n LYS 119 N -2.70 -0.10 0.08 5.56 0.00 -1.26 0.14 118.16 119.89 3huz n LYS 119 Ca 0.00 1.24 -0.07 0.00 0.00 0.00 0.00 58.31 59.48 3huz n LYS 119 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 35.03 33.13 3huz n LYS 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huz h ARG 120 N 0.00 0.07 0.00 1.64 3.08 -1.75 -3.25 114.38 114.17 3huz h ARG 120 Ca 0.36 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3huz h ARG 120 Cb 0.56 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3huz h ARG 120 CO -0.82 0.93 0.00 0.97 -1.07 0.00 0.00 179.97 179.99 3huz h ILE 121 N 0.03 0.00 0.00 2.04 6.09 0.13 -2.79 117.51 123.02 3huz h ILE 121 Ca -0.03 -0.58 -0.11 0.00 -1.37 0.00 0.00 64.86 62.78 3huz h ILE 121 Cb 1.59 1.52 -0.02 0.00 0.47 0.00 0.00 36.82 40.39 3huz h ILE 121 CO 0.13 0.00 -0.51 0.44 -3.07 0.00 0.00 178.15 175.14 3huz h ASP 122 N 0.00 0.00 0.61 2.19 3.32 -1.22 -2.38 116.42 118.94 3huz h ASP 122 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3huz h ASP 122 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3huz h ASP 122 CO 0.00 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3huz n GLN 123 N -3.37 0.08 -0.10 3.56 6.02 -1.05 -1.45 117.38 121.08 3huz n GLN 123 Ca 0.01 0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 57.15 3huz n GLN 123 Cb 0.66 -1.66 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3huz n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3huz n ASP 124 N -1.81 1.88 0.32 1.08 9.92 -0.92 -1.96 116.55 125.04 3huz n ASP 124 Ca 0.03 0.45 0.14 0.00 -0.53 0.00 0.00 54.79 54.88 3huz n ASP 124 Cb 0.20 -0.87 0.74 0.00 -0.64 0.00 0.00 41.12 40.54 3huz n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3huz h ARG 125 N -1.00 0.00 0.00 -1.24 2.47 -1.42 1.37 114.38 114.56 3huz h ARG 125 Ca -0.27 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.15 3huz h ARG 125 Cb 1.10 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.37 3huz h ARG 125 CO -0.17 0.00 -1.80 0.00 0.56 0.00 0.00 179.97 178.56 3huz n ALA 126 N -1.84 1.53 -2.48 0.04 0.00 -0.53 -4.71 120.51 112.53 3huz n ALA 126 Ca -0.02 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 3huz n ALA 126 Cb 0.40 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 3huz n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz s ALA 127 N -2.61 2.66 0.00 0.00 0.00 0.47 -4.14 121.76 118.14 3huz s ALA 127 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3huz s ALA 127 Cb 0.08 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.92 3huz s ALA 127 CO 0.83 -3.40 0.00 -0.85 0.00 0.00 0.00 175.76 172.34 3huz n GLU 128 N 9.33 0.00 -1.25 0.00 -0.00 -1.26 -4.88 120.64 122.58 3huz n GLU 128 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.94 3huz n GLU 128 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.83 3huz n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3huz n ARG 129 N 0.00 0.38 0.00 3.44 3.00 -1.26 -4.13 116.66 118.10 3huz n ARG 129 Ca 0.00 -1.59 0.08 0.00 -0.00 0.00 0.00 57.85 56.34 3huz n ARG 129 Cb 0.31 -3.36 -0.04 0.00 0.00 0.00 0.00 32.46 29.36 3huz n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3huz n ALA 130 N 14.65 3.58 0.00 5.13 0.00 -1.26 -4.97 120.51 137.64 3huz n ALA 130 Ca 0.44 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3huz n ALA 130 Cb 0.45 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3huz n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz n ALA 131 N -0.74 0.00 -1.48 0.00 0.00 -1.26 -4.61 120.51 112.42 3huz n ALA 131 Ca 0.05 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.93 3huz n ALA 131 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 3huz n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3huz n LYS 132 N 0.00 0.79 0.19 0.00 5.02 -1.26 -4.75 118.16 118.15 3huz n LYS 132 Ca 0.00 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 3huz n LYS 132 Cb 0.00 -2.09 0.43 0.00 -0.02 0.00 0.00 35.03 33.35 3huz n LYS 132 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3huz h GLU 133 N 9.87 0.00 -6.05 1.97 4.57 -1.89 -3.40 114.58 119.65 3huz h GLU 133 Ca -0.29 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.30 3huz h GLU 133 Cb 1.35 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.83 3huz h GLU 133 CO 1.02 0.00 0.68 -2.00 -1.18 0.00 0.00 179.01 177.53 3huz s GLU 134 N -3.32 3.38 0.00 1.92 2.56 -1.26 -2.63 118.70 119.34 3huz s GLU 134 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.97 54.90 3huz s GLU 134 Cb 0.09 -4.04 0.00 0.00 2.00 0.00 0.00 34.13 32.17 3huz s GLU 134 CO 0.56 -1.54 0.00 0.00 -0.56 0.00 0.00 175.26 173.72 3huz n ALA 135 N 7.74 0.00 -2.73 6.30 0.00 -1.26 -5.08 120.51 125.48 3huz n ALA 135 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3huz n ALA 135 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3huz n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3huz n GLN 136 N 0.00 0.00 0.00 0.00 -0.06 -1.08 -5.08 117.38 111.16 3huz n GLN 136 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3huz n GLN 136 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3huz n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3huz n LYS 137 N 0.00 0.00 0.00 3.69 4.76 -1.25 -4.97 118.16 120.39 3huz n LYS 137 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3huz n LYS 137 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3huz n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03