#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s GLN 3 N 0.00 0.34 0.19 5.31 -0.21 -1.26 -4.67 119.66 119.36 3huw s GLN 3 Ca 0.00 0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.63 3huw s GLN 3 Cb 0.00 -0.58 -0.05 0.00 1.00 0.00 0.00 33.01 33.38 3huw s GLN 3 CO 0.00 -0.79 0.43 0.71 -2.12 0.00 0.00 175.29 173.52 3huw s TYR 4 N 2.48 3.47 -0.28 0.91 1.51 -1.18 -4.91 117.35 119.36 3huw s TYR 4 Ca 0.11 0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 56.49 3huw s TYR 4 Cb -0.15 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 39.79 3huw s TYR 4 CO -0.21 0.36 0.84 -0.47 -1.11 0.00 0.00 175.55 174.95 3huw s TYR 5 N -1.80 -0.73 -0.28 2.71 6.14 -1.25 -2.30 117.35 119.83 3huw s TYR 5 Ca 0.41 1.65 0.02 0.00 0.64 0.00 0.00 57.07 59.80 3huw s TYR 5 Cb -0.11 0.39 0.17 0.00 0.42 0.00 0.00 41.96 42.82 3huw s TYR 5 CO 0.26 -0.36 0.46 0.20 0.64 0.00 0.00 175.55 176.75 3huw s GLY 6 N 0.74 -0.73 0.99 8.97 0.00 -1.25 -4.28 107.32 111.75 3huw s GLY 6 Ca -0.02 0.60 -0.14 0.00 0.00 0.00 0.00 44.72 45.16 3huw s GLY 6 CO -0.08 3.16 0.34 2.41 0.00 0.00 0.00 173.10 178.93 3huw n THR 7 N 5.37 0.00 -4.16 0.90 -1.04 -1.26 -4.03 114.28 110.05 3huw n THR 7 Ca 0.01 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.05 61.64 3huw n THR 7 Cb 0.51 -0.62 -0.11 0.00 -1.82 0.00 0.00 70.33 68.28 3huw n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3huw s GLY 8 N -1.99 0.83 -0.29 3.41 0.00 0.15 -3.98 107.32 105.45 3huw s GLY 8 Ca 0.57 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.16 3huw s GLY 8 CO 0.67 -1.09 0.61 -1.60 0.00 0.00 0.00 173.10 171.68 3huw s ARG 9 N -2.10 0.54 -0.43 2.90 3.52 -1.25 -1.36 118.95 120.77 3huw s ARG 9 Ca -0.00 1.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 3huw s ARG 9 Cb -0.08 0.74 0.17 0.00 -1.56 0.00 0.00 34.95 34.23 3huw s ARG 9 CO 0.01 -0.27 0.41 1.03 -0.81 0.00 0.00 175.30 175.67 3huw s ARG 10 N 2.85 0.92 -0.21 5.12 0.52 0.27 -4.82 118.95 123.59 3huw s ARG 10 Ca -0.02 -1.91 -0.06 0.00 -0.52 0.00 0.00 55.73 53.22 3huw s ARG 10 Cb -0.12 -1.16 0.02 0.00 0.52 0.00 0.00 34.95 34.21 3huw s ARG 10 CO -0.18 -1.38 0.13 1.17 0.02 0.00 0.00 175.30 175.06 3huw n LYS 11 N 2.89 -3.70 0.00 3.54 4.81 -1.26 -3.65 118.16 120.78 3huw n LYS 11 Ca 0.27 2.90 0.00 0.00 -0.87 0.00 0.00 58.31 60.61 3huw n LYS 11 Cb 0.49 -4.76 0.00 0.00 0.02 0.00 0.00 35.03 30.78 3huw n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3huw n GLU 12 N 1.13 0.00 -2.71 1.64 -0.58 -1.26 -4.54 120.64 114.32 3huw n GLU 12 Ca -0.22 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.10 3huw n GLU 12 Cb 0.34 -2.08 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 3huw n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huw s ALA 13 N -0.02 2.97 -0.18 0.62 0.00 -1.24 -2.30 121.76 121.60 3huw s ALA 13 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 3huw s ALA 13 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.08 3huw s ALA 13 CO 0.00 -2.91 0.00 0.08 0.00 0.00 0.00 175.76 172.93 3huw s VAL 14 N 4.77 4.12 0.03 0.00 1.01 0.03 -0.57 120.40 129.79 3huw s VAL 14 Ca 0.30 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3huw s VAL 14 Cb -0.12 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 3huw s VAL 14 CO 0.15 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.61 3huw s ALA 15 N 0.67 0.71 -0.05 5.51 0.00 -0.46 -0.65 121.76 127.49 3huw s ALA 15 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3huw s ALA 15 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3huw s ALA 15 CO 0.02 0.09 -0.01 1.03 0.00 0.00 0.00 175.76 176.89 3huw s ARG 16 N -1.06 2.88 -0.24 0.00 0.52 0.23 0.30 118.95 121.58 3huw s ARG 16 Ca -0.03 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3huw s ARG 16 Cb -0.07 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.72 3huw s ARG 16 CO 0.01 0.67 -0.13 0.08 0.02 0.00 0.00 175.30 175.94 3huw s VAL 17 N -0.95 2.19 -0.24 3.52 1.01 -1.26 -3.36 120.40 121.31 3huw s VAL 17 Ca 0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 3huw s VAL 17 Cb -0.11 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3huw s VAL 17 CO 0.05 0.15 -0.05 -0.36 0.00 0.00 0.00 175.10 174.90 3huw s PHE 18 N 1.17 3.03 -0.06 5.22 2.99 -0.50 -3.84 117.98 126.00 3huw s PHE 18 Ca -0.04 -1.32 -0.00 0.00 0.00 0.00 0.00 56.93 55.57 3huw s PHE 18 Cb -0.18 -2.09 -0.03 0.00 0.00 0.00 0.00 43.02 40.72 3huw s PHE 18 CO -0.07 -0.67 -0.02 -0.51 -0.00 0.00 0.00 175.22 173.95 3huw s LEU 19 N 1.39 3.43 -0.03 -0.37 1.43 -0.97 0.15 118.68 123.70 3huw s LEU 19 Ca 0.02 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3huw s LEU 19 Cb -0.16 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3huw s LEU 19 CO -0.04 0.35 0.06 -0.13 0.23 0.00 0.00 176.35 176.81 3huw s ARG 20 N -1.05 -0.01 0.06 1.70 3.00 -1.26 -3.12 118.95 118.27 3huw s ARG 20 Ca 0.15 0.23 -0.31 0.00 0.00 0.00 0.00 55.73 55.80 3huw s ARG 20 Cb -0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 34.95 34.53 3huw s ARG 20 CO 0.04 -0.17 1.53 -2.14 0.00 0.00 0.00 175.30 174.56 3huw s PRO 21 N 1.11 4.24 0.00 3.54 0.02 -1.25 -1.06 135.00 141.60 3huw s PRO 21 Ca -0.09 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3huw s PRO 21 Cb -0.13 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.88 3huw s PRO 21 CO -0.04 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 3huw n GLY 22 N 3.79 2.48 4.50 0.52 0.00 0.59 -4.84 105.19 112.24 3huw n GLY 22 Ca 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3huw n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3huw n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.26 -2.09 115.26 118.56 3huw n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3huw n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3huw n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huw n GLY 24 N 0.00 3.54 3.49 7.41 0.00 0.32 -4.66 105.19 115.29 3huw n GLY 24 Ca 0.00 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 3huw n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3huw n LYS 25 N 0.00 0.83 -3.27 1.61 2.85 -1.26 -4.45 118.16 114.47 3huw n LYS 25 Ca 0.00 0.14 -0.38 0.00 -1.05 0.00 0.00 58.31 57.02 3huw n LYS 25 Cb 0.00 -2.54 -0.06 0.00 -0.65 0.00 0.00 35.03 31.78 3huw n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3huw s VAL 26 N 9.16 4.73 -0.11 0.58 1.01 -1.16 -4.60 120.40 130.01 3huw s VAL 26 Ca 1.12 1.20 0.01 0.00 0.00 0.00 0.00 61.98 64.31 3huw s VAL 26 Cb -0.74 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 3huw s VAL 26 CO 0.42 0.52 -0.13 -0.89 0.00 0.00 0.00 175.10 175.03 3huw s THR 27 N -1.15 3.13 -0.08 3.92 2.01 -1.20 -2.26 115.64 120.00 3huw s THR 27 Ca 0.30 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3huw s THR 27 Cb -0.19 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.04 3huw s THR 27 CO 0.19 0.54 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.83 3huw s VAL 28 N 0.05 1.32 -1.68 3.82 1.01 0.32 -0.10 120.40 125.13 3huw s VAL 28 Ca -0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 3huw s VAL 28 Cb -0.14 -1.21 0.10 0.00 0.00 0.00 0.00 36.38 35.13 3huw s VAL 28 CO 0.04 0.40 0.25 0.59 0.00 0.00 0.00 175.10 176.39 3huw n ASN 29 N 3.95 -0.21 0.00 3.32 3.02 -0.02 0.10 115.26 125.42 3huw n ASN 29 Ca -0.21 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 3huw n ASN 29 Cb 0.52 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 3huw n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3huw n GLY 30 N -1.96 1.96 3.85 7.41 0.00 -1.26 -4.97 105.19 110.22 3huw n GLY 30 Ca -0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3huw n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3huw s GLN 31 N 0.00 0.75 -0.12 1.61 0.74 0.29 -4.96 119.66 117.97 3huw s GLN 31 Ca 0.00 -0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.17 3huw s GLN 31 Cb 0.00 -1.83 -0.05 0.00 1.10 0.00 0.00 33.01 32.23 3huw s GLN 31 CO 0.00 -2.38 0.22 0.34 -0.55 0.00 0.00 175.29 172.92 3huw s ASP 32 N -4.54 6.45 0.59 6.67 -1.08 -1.26 0.12 116.67 123.61 3huw s ASP 32 Ca 0.69 0.53 0.19 0.00 -0.52 0.00 0.00 52.55 53.44 3huw s ASP 32 Cb -0.08 -2.13 0.65 0.00 -1.46 0.00 0.00 42.92 39.89 3huw s ASP 32 CO 0.53 0.29 1.16 0.33 0.52 0.00 0.00 175.17 177.99 3huw n PHE 33 N 2.57 0.00 -2.67 -5.34 7.35 -0.96 0.93 117.46 119.34 3huw n PHE 33 Ca -0.16 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.22 3huw n PHE 33 Cb 0.53 -0.18 -0.01 0.00 0.35 0.00 0.00 39.48 40.17 3huw n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3huw n ASN 34 N -2.95 5.41 0.00 -2.13 4.13 -1.26 -3.36 115.26 115.09 3huw n ASN 34 Ca 0.17 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.71 3huw n ASN 34 Cb 1.33 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 3huw n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3huw n GLU 35 N -0.30 0.00 -0.00 3.52 2.13 0.26 -4.85 120.64 121.40 3huw n GLU 35 Ca 0.38 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.26 3huw n GLU 35 Cb 0.41 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.04 3huw n GLU 35 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3huw n TYR 36 N 0.00 0.00 -3.24 4.31 9.36 -0.73 -4.62 117.16 122.24 3huw n TYR 36 Ca 0.00 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.96 3huw n TYR 36 Cb 0.00 -0.23 -0.06 0.00 -0.63 0.00 0.00 39.34 38.42 3huw n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3huw n PHE 37 N -1.83 2.74 -2.89 2.98 0.99 -1.21 -5.08 117.46 113.16 3huw n PHE 37 Ca -0.02 -3.98 -0.41 0.00 -0.00 0.00 0.00 57.45 53.04 3huw n PHE 37 Cb 0.27 -0.49 -0.04 0.00 -1.00 0.00 0.00 39.48 38.22 3huw n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3huw s GLN 38 N -2.50 4.34 -1.07 -1.08 -1.52 -1.26 -4.32 119.66 112.26 3huw s GLN 38 Ca 0.41 1.04 -0.18 0.00 -1.95 0.00 0.00 55.36 54.69 3huw s GLN 38 Cb 0.20 -3.55 -0.00 0.00 -0.22 0.00 0.00 33.01 29.45 3huw s GLN 38 CO -0.07 -0.25 0.75 0.41 -0.25 0.00 0.00 175.29 175.89 3huw n GLY 39 N 3.35 -1.05 2.65 3.09 0.00 -1.26 -4.99 105.19 106.98 3huw n GLY 39 Ca 0.04 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 3huw n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huw s LEU 40 N -6.14 0.26 0.44 0.99 1.43 -1.26 -5.01 118.68 109.39 3huw s LEU 40 Ca 0.37 -1.51 0.29 0.00 -1.03 0.00 0.00 54.13 52.25 3huw s LEU 40 Cb -0.14 0.16 1.58 0.00 0.03 0.00 0.00 46.19 47.83 3huw s LEU 40 CO 0.87 -0.33 1.90 0.58 0.23 0.00 0.00 176.35 179.60 3huw h VAL 41 N 5.52 0.00 0.00 -1.59 2.07 -1.95 0.28 116.25 120.58 3huw h VAL 41 Ca -0.02 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3huw h VAL 41 Cb 1.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3huw h VAL 41 CO 0.28 0.00 -1.38 -0.09 0.02 0.00 0.00 177.57 176.40 3huw h ARG 42 N 0.00 0.00 0.07 1.57 2.43 -2.01 -3.35 114.38 113.09 3huw h ARG 42 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3huw h ARG 42 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3huw h ARG 42 CO 0.00 0.33 -0.11 0.00 -1.51 0.00 0.00 179.97 178.68 3huw h ALA 43 N 1.38 -0.18 0.00 2.80 0.00 -0.83 -2.70 119.26 119.73 3huw h ALA 43 Ca -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3huw h ALA 43 Cb 1.62 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3huw h ALA 43 CO 0.05 -0.62 0.04 1.33 0.00 0.00 0.00 179.25 180.04 3huw n VAL 44 N -5.23 0.29 -0.02 0.00 0.24 -1.14 -2.74 118.33 109.72 3huw n VAL 44 Ca -0.07 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 3huw n VAL 44 Cb 0.16 -1.12 -0.01 0.00 -1.47 0.00 0.00 33.84 31.40 3huw n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huw n ALA 45 N 2.03 2.74 -0.11 2.33 0.00 -1.02 -4.75 120.51 121.72 3huw n ALA 45 Ca 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.37 3huw n ALA 45 Cb 0.07 0.45 0.17 0.00 0.00 0.00 0.00 19.45 20.14 3huw n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw n ALA 46 N -3.19 0.30 0.53 0.00 0.00 -1.11 0.12 120.51 117.16 3huw n ALA 46 Ca -0.08 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.67 3huw n ALA 46 Cb 0.55 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.71 3huw n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huw n LEU 47 N -3.93 3.80 0.09 0.00 4.32 -1.26 -4.08 117.00 115.94 3huw n LEU 47 Ca 0.11 -1.91 0.11 0.00 -0.02 0.00 0.00 56.01 54.30 3huw n LEU 47 Cb 0.39 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 41.55 3huw n LEU 47 CO -0.01 0.64 -0.07 1.21 -1.22 0.00 0.00 177.39 177.94 3huw n GLU 48 N 0.34 0.61 0.00 3.23 4.07 0.33 -3.50 120.64 125.71 3huw n GLU 48 Ca 0.09 0.10 0.10 0.00 -0.06 0.00 0.00 57.16 57.39 3huw n GLU 48 Cb 0.67 -1.80 0.51 0.00 -0.06 0.00 0.00 31.44 30.76 3huw n GLU 48 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3huw n PRO 49 N -2.65 0.29 -0.05 5.31 -0.04 -1.26 -3.36 135.00 133.24 3huw n PRO 49 Ca -0.01 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3huw n PRO 49 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3huw n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3huw h LEU 50 N 0.00 0.00 -2.05 1.53 3.38 -1.87 -3.20 115.31 113.11 3huw h LEU 50 Ca 0.00 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.92 3huw h LEU 50 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3huw h LEU 50 CO 0.00 0.59 0.37 0.03 0.09 0.00 0.00 178.44 179.52 3huw h ARG 51 N -1.00 0.00 -0.34 1.13 -0.00 -1.69 1.07 114.38 113.54 3huw h ARG 51 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.41 3huw h ARG 51 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.12 3huw h ARG 51 CO -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 179.97 179.91 3huw h ALA 52 N 1.60 1.26 -3.00 0.04 0.00 -1.65 -3.38 119.26 114.14 3huw h ALA 52 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3huw h ALA 52 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3huw h ALA 52 CO -0.00 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.07 3huw n VAL 53 N -4.23 0.00 0.00 0.00 0.24 0.34 -4.92 118.33 109.75 3huw n VAL 53 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3huw n VAL 53 Cb 0.29 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 3huw n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3huw n ASP 54 N -1.02 0.00 -3.97 -1.34 8.00 0.67 -5.09 116.55 113.81 3huw n ASP 54 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 54.79 54.94 3huw n ASP 54 Cb 0.00 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 3huw n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huw n ALA 55 N -1.80 -0.47 -0.50 2.24 0.00 -1.26 -4.64 120.51 114.08 3huw n ALA 55 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.84 3huw n ALA 55 Cb 0.00 -1.77 0.35 0.00 0.00 0.00 0.00 19.45 18.03 3huw n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3huw n LEU 56 N 5.15 4.49 0.00 0.00 0.00 -1.26 -4.55 117.00 120.82 3huw n LEU 56 Ca 0.38 -2.26 0.00 0.00 0.00 0.00 0.00 56.01 54.14 3huw n LEU 56 Cb -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 43.42 42.82 3huw n LEU 56 CO 0.79 0.85 0.00 0.61 0.00 0.00 0.00 177.39 179.64 3huw n GLY 57 N 1.30 0.00 0.00 -3.96 0.00 -1.26 -4.98 105.19 96.29 3huw n GLY 57 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3huw n GLY 57 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3huw n HIS 58 N 0.00 0.00 -3.85 1.61 -0.00 -1.26 -0.52 115.22 111.20 3huw n HIS 58 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3huw n HIS 58 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 3huw n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3huw s PHE 59 N -1.81 0.00 -0.06 -1.40 0.40 -0.89 0.22 117.98 114.44 3huw s PHE 59 Ca 0.00 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 3huw s PHE 59 Cb 0.00 -0.02 -0.27 0.00 0.51 0.00 0.00 43.02 43.24 3huw s PHE 59 CO 0.00 -0.31 0.59 -0.44 0.70 0.00 0.00 175.22 175.76 3huw h ASP 60 N 4.18 0.35 -5.43 1.36 3.32 -0.97 -3.04 116.42 116.19 3huw h ASP 60 Ca -0.31 -0.65 0.01 0.00 0.02 0.00 0.00 57.03 56.10 3huw h ASP 60 Cb 1.19 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3huw h ASP 60 CO 0.41 1.57 -1.06 0.00 -1.72 0.00 0.00 179.24 178.43 3huw n ALA 61 N -2.80 -2.85 -2.66 3.45 0.00 -1.25 -3.00 120.51 111.40 3huw n ALA 61 Ca -0.24 1.38 -0.42 0.00 0.00 0.00 0.00 53.44 54.15 3huw n ALA 61 Cb 1.05 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3huw n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3huw s TYR 62 N -0.65 3.35 -0.04 0.00 5.04 0.39 -3.27 117.35 122.17 3huw s TYR 62 Ca -0.16 1.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.81 3huw s TYR 62 Cb 0.01 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.20 3huw s TYR 62 CO 0.53 -0.39 -0.14 0.42 -1.34 0.00 0.00 175.55 174.63 3huw s ILE 63 N 2.79 1.19 -0.04 3.14 1.01 0.85 -1.41 121.20 128.74 3huw s ILE 63 Ca 0.39 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.53 3huw s ILE 63 Cb -0.16 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3huw s ILE 63 CO 0.08 0.35 -0.23 0.28 0.00 0.00 0.00 174.94 175.43 3huw s THR 64 N 0.16 1.86 -0.17 2.92 -1.32 -1.21 -0.84 115.64 117.04 3huw s THR 64 Ca -0.05 -0.98 -0.06 0.00 -1.21 0.00 0.00 61.69 59.39 3huw s THR 64 Cb -0.11 -1.56 0.08 0.00 -1.51 0.00 0.00 72.50 69.39 3huw s THR 64 CO 0.02 0.52 0.36 0.54 -2.21 0.00 0.00 174.62 173.85 3huw s VAL 65 N -0.32 -0.53 0.35 5.08 0.11 -1.26 -0.60 120.40 123.24 3huw s VAL 65 Ca 0.02 0.21 0.09 0.00 -2.93 0.00 0.00 61.98 59.37 3huw s VAL 65 Cb -0.11 -0.58 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 3huw s VAL 65 CO 0.01 0.09 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.68 3huw s ARG 66 N 2.47 1.89 0.15 1.54 0.52 0.17 -4.96 118.95 120.73 3huw s ARG 66 Ca -0.01 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 3huw s ARG 66 Cb -0.12 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.61 3huw s ARG 66 CO -0.11 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.74 3huw n GLY 67 N -0.85 -2.91 5.58 -3.53 0.00 -1.26 -0.79 105.19 101.44 3huw n GLY 67 Ca -0.05 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.70 3huw n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 68 N -2.33 -1.61 4.00 -0.02 0.00 -0.97 -3.83 105.19 100.43 3huw n GLY 68 Ca -0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 3huw n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huw s GLY 69 N -3.92 1.75 0.15 -0.02 0.00 -1.26 -4.89 107.32 99.13 3huw s GLY 69 Ca 0.00 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 42.93 3huw s GLY 69 CO 0.00 -1.37 1.57 0.50 0.00 0.00 0.00 173.10 173.80 3huw h LYS 70 N 0.72 -0.30 -0.15 2.90 1.57 -2.00 -2.32 116.57 116.99 3huw h LYS 70 Ca -0.43 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3huw h LYS 70 Cb 1.27 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.58 3huw h LYS 70 CO 0.50 -0.20 -0.49 1.03 -0.57 0.00 0.00 179.45 179.72 3huw h SER 71 N -0.31 -1.55 -0.90 0.86 0.87 -1.96 -0.82 113.55 109.74 3huw h SER 71 Ca 0.14 0.19 0.22 0.00 -1.23 0.00 0.00 61.79 61.11 3huw h SER 71 Cb 0.58 0.62 -0.12 0.00 -0.44 0.00 0.00 62.40 63.03 3huw h SER 71 CO -0.60 -0.46 0.41 1.23 -0.53 0.00 0.00 176.83 176.88 3huw h GLY 72 N -0.54 1.56 0.97 5.77 0.00 -1.80 0.31 103.07 109.34 3huw h GLY 72 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3huw h GLY 72 CO -0.43 -0.25 0.18 1.46 0.00 0.00 0.00 176.54 177.49 3huw h GLN 73 N 0.43 0.42 -0.00 4.80 4.20 -0.81 -1.86 115.11 122.29 3huw h GLN 73 Ca 0.56 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.23 3huw h GLN 73 Cb 1.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3huw h GLN 73 CO -0.52 0.35 0.00 -0.89 -0.67 0.00 0.00 178.83 177.10 3huw n ILE 74 N -4.82 0.00 0.00 2.54 5.41 0.11 0.00 119.36 122.60 3huw n ILE 74 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3huw n ILE 74 Cb 0.07 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 3huw n ILE 74 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3huw n ASP 75 N -0.18 1.68 0.27 4.38 -0.08 -0.76 -4.10 116.55 117.77 3huw n ASP 75 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 3huw n ASP 75 Cb 0.00 0.22 0.75 0.00 2.34 0.00 0.00 41.12 44.43 3huw n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3huw h ALA 76 N 0.00 1.17 0.03 -1.67 0.00 0.22 -1.80 119.26 117.20 3huw h ALA 76 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3huw h ALA 76 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3huw h ALA 76 CO 0.00 0.12 -0.02 0.82 0.00 0.00 0.00 179.25 180.18 3huw h ILE 77 N 0.00 1.40 -0.81 0.00 2.04 -1.58 -1.99 117.51 116.58 3huw h ILE 77 Ca -0.00 -1.64 0.22 0.00 1.00 0.00 0.00 64.86 64.44 3huw h ILE 77 Cb 0.37 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3huw h ILE 77 CO 0.01 0.40 0.57 0.50 0.00 0.00 0.00 178.15 179.63 3huw h LYS 78 N -0.80 0.09 0.01 2.37 3.64 -1.52 0.95 116.57 121.30 3huw h LYS 78 Ca -0.00 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.14 3huw h LYS 78 Cb 0.69 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3huw h LYS 78 CO 0.01 0.06 -1.15 1.25 -2.27 0.00 0.00 179.45 177.35 3huw h LEU 79 N 0.09 0.02 0.34 5.20 7.12 -1.36 -3.28 115.31 123.43 3huw h LEU 79 Ca 0.39 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.36 3huw h LEU 79 Cb 1.42 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 3huw h LEU 79 CO -0.04 1.02 -0.16 1.23 -0.13 0.00 0.00 178.44 180.36 3huw h GLY 80 N 3.02 -0.47 1.14 3.75 0.00 0.13 0.17 103.07 110.81 3huw h GLY 80 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3huw h GLY 80 CO 0.12 -0.17 0.12 1.39 0.00 0.00 0.00 176.54 178.00 3huw n ILE 81 N -5.10 0.95 -0.03 2.60 2.08 0.26 -1.05 119.36 119.07 3huw n ILE 81 Ca -0.09 0.36 -0.07 0.00 0.56 0.00 0.00 62.75 63.51 3huw n ILE 81 Cb 0.27 -1.36 -0.02 0.00 -0.75 0.00 0.00 39.64 37.78 3huw n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3huw n ALA 82 N -1.19 2.14 0.30 -1.39 0.00 -1.14 -4.02 120.51 115.21 3huw n ALA 82 Ca 0.00 -0.39 0.17 0.00 0.00 0.00 0.00 53.44 53.22 3huw n ALA 82 Cb 0.12 0.22 0.83 0.00 0.00 0.00 0.00 19.45 20.62 3huw n ALA 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3huw h ARG 83 N -0.43 0.00 0.00 0.00 2.43 -0.27 -2.66 114.38 113.45 3huw h ARG 83 Ca -0.10 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3huw h ARG 83 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3huw h ARG 83 CO -0.06 0.00 -0.44 0.00 -1.51 0.00 0.00 179.97 177.96 3huw h ALA 84 N 1.41 0.03 0.00 2.80 0.00 -1.25 -3.34 119.26 118.91 3huw h ALA 84 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3huw h ALA 84 Cb 0.68 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3huw h ALA 84 CO -0.00 0.39 0.00 1.47 0.00 0.00 0.00 179.25 181.11 3huw n LEU 85 N -4.64 0.66 -0.05 0.00 -0.00 -1.03 0.61 117.00 112.55 3huw n LEU 85 Ca -0.08 -0.33 -0.05 0.00 -0.00 0.00 0.00 56.01 55.55 3huw n LEU 85 Cb 0.25 -0.30 -0.08 0.00 -0.00 0.00 0.00 43.42 43.29 3huw n LEU 85 CO 0.10 0.16 -0.84 0.55 -0.00 0.00 0.00 177.39 177.36 3huw n VAL 86 N 0.23 0.69 -0.10 1.47 3.14 -1.04 -4.07 118.33 118.65 3huw n VAL 86 Ca 0.00 -0.44 -0.13 0.00 -2.96 0.00 0.00 64.34 60.81 3huw n VAL 86 Cb 0.16 -0.67 -0.04 0.00 -1.06 0.00 0.00 33.84 32.23 3huw n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3huw h GLN 87 N 0.00 0.70 -1.04 1.45 4.15 0.05 -0.67 115.11 119.74 3huw h GLN 87 Ca -0.27 -0.34 -0.55 0.00 0.77 0.00 0.00 58.65 58.25 3huw h GLN 87 Cb 1.60 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 29.01 3huw h GLN 87 CO 0.01 0.95 0.71 0.66 -1.93 0.00 0.00 178.83 179.23 3huw n TYR 88 N -4.30 2.90 0.00 3.99 4.02 -1.02 -4.52 117.16 118.23 3huw n TYR 88 Ca -0.03 -2.30 0.00 0.00 -0.01 0.00 0.00 57.90 55.56 3huw n TYR 88 Cb 0.44 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 3huw n TYR 88 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3huw n ASN 89 N -0.87 0.00 0.10 7.72 2.85 -1.19 -5.00 115.26 118.87 3huw n ASN 89 Ca 0.56 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 55.11 3huw n ASN 89 Cb 1.12 0.00 0.37 0.00 1.24 0.00 0.00 39.78 42.51 3huw n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3huw n PRO 90 N 0.00 0.09 0.16 1.20 -0.04 -0.27 0.01 135.00 136.15 3huw n PRO 90 Ca 0.00 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 3huw n PRO 90 Cb 0.00 -1.78 0.70 0.00 -0.04 0.00 0.00 33.50 32.38 3huw n PRO 90 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3huw h ASP 91 N 0.00 0.00 -1.64 3.54 3.32 -1.93 -3.31 116.42 116.41 3huw h ASP 91 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3huw h ASP 91 Cb 0.03 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.48 3huw h ASP 91 CO 0.00 0.00 1.28 -0.31 -1.72 0.00 0.00 179.24 178.49 3huw s TYR 92 N -4.97 2.52 0.00 4.55 1.51 0.10 -4.17 117.35 116.89 3huw s TYR 92 Ca -0.05 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3huw s TYR 92 Cb 0.18 -4.63 0.00 0.00 -0.11 0.00 0.00 41.96 37.40 3huw s TYR 92 CO 0.67 -1.93 0.00 -2.13 -1.11 0.00 0.00 175.55 171.05 3huw n ARG 93 N 8.78 2.89 -2.10 -0.62 3.00 -1.25 -4.71 116.66 122.65 3huw n ARG 93 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.67 3huw n ARG 93 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 32.46 32.72 3huw n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3huw n ALA 94 N 0.00 6.52 0.00 5.13 0.00 -1.26 -3.02 120.51 127.88 3huw n ALA 94 Ca 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 3huw n ALA 94 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.68 3huw n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3huw n LYS 95 N 1.96 0.00 -0.11 0.00 -0.00 -1.26 -4.94 118.16 113.81 3huw n LYS 95 Ca 0.57 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.69 3huw n LYS 95 Cb 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.18 3huw n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3huw n LEU 96 N 0.00 2.81 -0.12 -5.58 7.94 -1.17 -3.91 117.00 116.98 3huw n LEU 96 Ca 0.00 -0.03 -0.22 0.00 -1.11 0.00 0.00 56.01 54.65 3huw n LEU 96 Cb 0.00 -0.94 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 3huw n LEU 96 CO 0.00 0.88 -1.13 1.17 -1.11 0.00 0.00 177.39 177.20 3huw n LYS 97 N -3.41 0.57 0.23 1.96 4.81 -1.21 0.44 118.16 121.54 3huw n LYS 97 Ca -0.44 0.26 0.11 0.00 -0.87 0.00 0.00 58.31 57.37 3huw n LYS 97 Cb 0.98 -1.48 0.60 0.00 0.02 0.00 0.00 35.03 35.16 3huw n LYS 97 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3huw h PRO 98 N -1.00 0.00 0.00 1.64 0.11 -1.84 0.52 132.00 131.43 3huw h PRO 98 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3huw h PRO 98 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3huw h PRO 98 CO -0.26 0.00 -0.37 -0.11 -0.21 0.00 0.00 178.00 177.05 3huw n LEU 99 N -2.42 0.11 -2.76 2.35 -0.00 -1.25 -4.97 117.00 108.06 3huw n LEU 99 Ca -0.01 -0.38 -0.01 0.00 -0.00 0.00 0.00 56.01 55.61 3huw n LEU 99 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 3huw n LEU 99 CO 0.10 0.03 0.26 0.61 -0.00 0.00 0.00 177.39 178.39 3huw n GLY 100 N 1.36 -1.08 0.00 -3.96 0.00 0.18 -4.94 105.19 96.76 3huw n GLY 100 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3huw n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huw n PHE 101 N -1.52 0.00 -3.63 1.61 3.01 1.53 -4.82 117.46 113.65 3huw n PHE 101 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 3huw n PHE 101 Cb 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.89 3huw n PHE 101 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3huw s LEU 102 N -2.61 5.58 -0.19 4.37 1.98 -1.10 -4.62 118.68 122.11 3huw s LEU 102 Ca 0.00 -3.26 -0.10 0.00 -2.89 0.00 0.00 54.13 47.89 3huw s LEU 102 Cb 0.00 -1.93 0.07 0.00 0.66 0.00 0.00 46.19 44.99 3huw s LEU 102 CO 0.00 -0.30 0.44 -0.89 -1.89 0.00 0.00 176.35 173.71 3huw s THR 103 N -0.67 -0.11 0.00 3.68 2.01 -1.26 -4.92 115.64 114.36 3huw s THR 103 Ca 0.22 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.32 3huw s THR 103 Cb -0.13 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.72 3huw s THR 103 CO -0.08 0.04 0.73 -1.14 -0.69 0.00 0.00 174.62 173.48 3huw n ARG 104 N 4.43 0.00 0.00 4.92 3.00 -1.26 -4.95 116.66 122.80 3huw n ARG 104 Ca -0.21 0.58 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 3huw n ARG 104 Cb 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.77 3huw n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3huw n ASP 105 N -1.71 0.00 0.27 6.15 4.64 -1.26 -4.81 116.55 119.83 3huw n ASP 105 Ca 0.00 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 53.47 3huw n ASP 105 Cb 0.00 0.00 0.32 0.00 -1.04 0.00 0.00 41.12 40.40 3huw n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3huw h ALA 106 N 0.00 1.54 -0.14 -1.67 0.00 -1.96 -3.42 119.26 113.62 3huw h ALA 106 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3huw h ALA 106 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3huw h ALA 106 CO 0.00 -0.54 1.76 0.54 0.00 0.00 0.00 179.25 181.00 3huw n ARG 107 N -2.39 0.09 -4.08 0.00 1.74 -1.26 -4.85 116.66 105.90 3huw n ARG 107 Ca -0.01 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 3huw n ARG 107 Cb 0.63 -1.65 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 3huw n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3huw s VAL 108 N 8.86 0.58 -0.16 1.55 -7.23 -1.26 -4.74 120.40 118.00 3huw s VAL 108 Ca 1.32 -1.02 -0.35 0.00 -1.81 0.00 0.00 61.98 60.13 3huw s VAL 108 Cb -1.14 -0.62 -0.12 0.00 0.56 0.00 0.00 36.38 35.06 3huw s VAL 108 CO 0.47 -0.32 1.94 0.52 -0.31 0.00 0.00 175.10 177.40 3huw n VAL 109 N 1.59 0.48 -2.57 1.32 0.31 -1.26 -4.90 118.33 113.30 3huw n VAL 109 Ca -0.22 -0.15 -0.40 0.00 -0.01 0.00 0.00 64.34 63.56 3huw n VAL 109 Cb 0.55 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 3huw n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3huw s GLU 110 N 4.50 4.71 0.96 5.55 2.12 -1.26 -5.00 118.70 130.28 3huw s GLU 110 Ca 0.97 1.70 -0.14 0.00 0.36 0.00 0.00 54.97 57.85 3huw s GLU 110 Cb -0.74 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 3huw s GLU 110 CO 0.52 0.30 -0.07 -2.13 -0.54 0.00 0.00 175.26 173.34 3huw n ARG 111 N 1.38 -0.16 -4.49 4.30 0.63 -1.26 -4.96 116.66 112.09 3huw n ARG 111 Ca -0.01 -0.02 -0.33 0.00 -0.92 0.00 0.00 57.85 56.56 3huw n ARG 111 Cb 0.46 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 31.73 3huw n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3huw s LYS 112 N -2.95 3.60 0.28 -0.14 2.20 -1.26 -4.58 119.74 116.89 3huw s LYS 112 Ca 0.50 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.62 3huw s LYS 112 Cb -0.20 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 3huw s LYS 112 CO 0.73 0.25 0.37 0.15 -0.36 0.00 0.00 175.35 176.49 3huw s LYS 113 N 0.33 3.22 0.83 4.03 3.01 -1.26 -4.81 119.74 125.09 3huw s LYS 113 Ca -0.05 -0.92 -0.11 0.00 -1.01 0.00 0.00 55.97 53.87 3huw s LYS 113 Cb -0.14 -2.80 0.09 0.00 -1.01 0.00 0.00 37.83 33.97 3huw s LYS 113 CO 0.04 0.28 1.09 1.52 0.51 0.00 0.00 175.35 178.78 3huw s TYR 114 N -2.09 2.55 0.00 3.18 -0.00 -1.26 -3.17 117.35 116.56 3huw s TYR 114 Ca 0.38 1.30 0.00 0.00 -0.00 0.00 0.00 57.07 58.75 3huw s TYR 114 Cb -0.09 -3.11 0.00 0.00 -0.00 0.00 0.00 41.96 38.76 3huw s TYR 114 CO 0.29 -2.04 0.00 0.41 -0.00 0.00 0.00 175.55 174.21 3huw n GLY 115 N -1.45 1.08 2.83 5.49 0.00 -1.26 -4.96 105.19 106.92 3huw n GLY 115 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3huw n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huw s LYS 116 N -0.17 0.35 0.43 1.61 -0.14 -1.19 -4.47 119.74 116.16 3huw s LYS 116 Ca 0.00 0.05 0.15 0.00 -1.36 0.00 0.00 55.97 54.80 3huw s LYS 116 Cb 0.00 -0.50 1.04 0.00 -1.68 0.00 0.00 37.83 36.69 3huw s LYS 116 CO 0.00 -0.12 1.94 0.45 -0.76 0.00 0.00 175.35 176.87 3huw h HIS 117 N 7.17 0.48 -0.48 3.18 3.86 -0.68 -3.31 115.15 125.36 3huw h HIS 117 Ca -0.42 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.53 3huw h HIS 117 Cb 1.14 -0.15 -0.29 0.00 1.06 0.00 0.00 27.41 29.17 3huw h HIS 117 CO 0.50 0.20 -0.79 1.63 0.86 0.00 0.00 177.93 180.33 3huw n LYS 118 N -4.47 1.24 0.00 2.45 5.02 -1.19 -5.00 118.16 116.21 3huw n LYS 118 Ca 0.13 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 3huw n LYS 118 Cb 0.47 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 3huw n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huw n ALA 119 N -0.44 0.00 -0.11 7.82 0.00 -1.25 -4.14 120.51 122.39 3huw n ALA 119 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 3huw n ALA 119 Cb 0.83 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.19 3huw n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huw n ARG 120 N 0.00 0.53 -2.12 0.00 1.74 -1.26 -4.53 116.66 111.01 3huw n ARG 120 Ca 0.00 0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.83 3huw n ARG 120 Cb 0.00 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3huw n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3huw s ARG 121 N -2.43 2.77 0.75 5.56 3.52 -1.26 -4.94 118.95 122.92 3huw s ARG 121 Ca -0.30 0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 55.73 3huw s ARG 121 Cb 0.08 -4.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.18 3huw s ARG 121 CO 0.48 -2.57 1.11 0.00 -0.81 0.00 0.00 175.30 173.52 3huw s ALA 122 N 8.37 2.70 0.61 6.12 0.00 -1.26 0.03 121.76 138.34 3huw s ALA 122 Ca 0.63 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 3huw s ALA 122 Cb -0.12 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3huw s ALA 122 CO 0.21 -1.38 1.04 -1.25 0.00 0.00 0.00 175.76 174.38 3huw s PRO 123 N -5.37 3.39 0.16 0.00 0.04 -1.26 -4.72 135.00 127.24 3huw s PRO 123 Ca 0.60 0.99 -0.34 0.00 0.04 0.00 0.00 61.00 62.28 3huw s PRO 123 Cb -0.12 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 3huw s PRO 123 CO 0.52 -0.74 1.57 1.04 0.04 0.00 0.00 177.00 179.43 3huw n GLN 124 N -2.41 2.11 -2.35 4.56 6.02 -1.26 -4.93 117.38 119.12 3huw n GLN 124 Ca 0.07 0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 57.41 3huw n GLN 124 Cb 0.54 -2.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 3huw n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3huw s TYR 125 N 0.89 3.40 -0.22 1.08 6.04 -1.26 -4.95 117.35 122.33 3huw s TYR 125 Ca 0.79 1.36 -0.07 0.00 0.04 0.00 0.00 57.07 59.19 3huw s TYR 125 Cb -0.69 -3.46 -0.11 0.00 -1.04 0.00 0.00 41.96 36.65 3huw s TYR 125 CO 0.38 -1.36 -0.26 0.43 -1.54 0.00 0.00 175.55 173.20 3huw n SER 126 N 2.77 1.86 0.00 4.32 7.64 -1.26 -5.02 113.62 123.93 3huw n SER 126 Ca 0.05 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3huw n SER 126 Cb 0.44 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3huw n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3huw n LYS 127 N -3.72 0.00 0.00 1.43 4.81 -1.26 -5.36 118.16 114.06 3huw n LYS 127 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 3huw n LYS 127 Cb 0.85 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.90 3huw n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46