#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsq n SER 2 N 0.00 -2.77 -4.66 1.61 7.64 -1.26 -5.12 113.62 109.07 1hsq n SER 2 Ca 0.00 -3.37 -0.42 0.00 1.01 0.00 0.00 58.87 56.08 1hsq n SER 2 Cb 0.00 1.83 -0.03 0.00 -1.01 0.00 0.00 64.21 65.00 1hsq n SER 2 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1hsq s PRO 3 N 0.60 4.08 0.00 1.43 0.02 -1.26 -4.96 135.00 134.91 1hsq s PRO 3 Ca 0.30 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1hsq s PRO 3 Cb 0.24 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1hsq s PRO 3 CO -0.21 -1.02 0.00 0.25 -0.33 0.00 0.00 177.00 175.69 1hsq n THR 4 N 5.69 0.00 -0.18 0.99 -2.24 -1.26 -4.82 114.28 112.46 1hsq n THR 4 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1hsq n THR 4 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1hsq n THR 4 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1hsq n PHE 5 N 0.00 -0.89 -1.17 4.78 7.35 -1.26 -4.92 117.46 121.36 1hsq n PHE 5 Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1hsq n PHE 5 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1hsq n PHE 5 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1hsq n LYS 6 N -0.24 -2.21 -2.89 -4.13 4.01 -1.26 -4.49 118.16 106.95 1hsq n LYS 6 Ca 0.00 1.69 -0.43 0.00 -0.51 0.00 0.00 58.31 59.06 1hsq n LYS 6 Cb 0.00 -2.79 -0.04 0.00 -0.51 0.00 0.00 35.03 31.69 1hsq n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hsq s ALA 8 N 3.73 4.11 0.07 0.00 0.00 -1.26 -2.15 121.76 126.26 1hsq s ALA 8 Ca 0.28 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1hsq s ALA 8 Cb -0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 1hsq s ALA 8 CO 0.18 -0.30 0.07 1.33 0.00 0.00 0.00 175.76 177.05 1hsq n VAL 9 N -1.55 0.00 -3.33 0.00 0.24 -1.05 -4.12 118.33 108.51 1hsq n VAL 9 Ca -0.02 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.34 61.58 1hsq n VAL 9 Cb 0.64 0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.18 1hsq n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1hsq s LYS 10 N -2.26 0.73 -0.37 7.34 2.20 -1.13 -3.80 119.74 122.45 1hsq s LYS 10 Ca 0.08 -1.30 -0.34 0.00 -0.36 0.00 0.00 55.97 54.05 1hsq s LYS 10 Cb 0.00 -0.96 -0.15 0.00 -1.51 0.00 0.00 37.83 35.22 1hsq s LYS 10 CO 0.06 -1.26 1.36 0.00 -0.36 0.00 0.00 175.35 175.14 1hsq n ALA 11 N 3.72 -0.52 0.09 3.13 0.00 -0.49 -4.56 120.51 121.89 1hsq n ALA 11 Ca 0.17 0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.85 1hsq n ALA 11 Cb 0.45 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1hsq n ALA 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hsq h LEU 12 N 4.95 0.00 0.00 0.00 3.38 -1.87 0.13 115.31 121.90 1hsq h LEU 12 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1hsq h LEU 12 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1hsq h LEU 12 CO 0.76 0.80 -0.02 0.49 0.09 0.00 0.00 178.44 180.56 1hsq n PHE 13 N -3.32 -0.24 -4.38 1.13 3.72 -1.25 -4.78 117.46 108.35 1hsq n PHE 13 Ca 0.01 -0.13 -0.31 0.00 -0.05 0.00 0.00 57.45 56.97 1hsq n PHE 13 Cb 0.85 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 39.27 1hsq n PHE 13 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1hsq s ASP 14 N -1.15 4.47 0.41 4.37 -4.77 -1.26 -2.05 116.67 116.69 1hsq s ASP 14 Ca 0.00 -0.27 0.05 0.00 -3.30 0.00 0.00 52.55 49.03 1hsq s ASP 14 Cb -0.00 -0.94 -0.06 0.00 -1.09 0.00 0.00 42.92 40.83 1hsq s ASP 14 CO 0.00 0.23 0.03 -0.47 0.70 0.00 0.00 175.17 175.66 1hsq s TYR 15 N -1.09 2.21 -0.40 2.11 6.14 0.15 -4.96 117.35 121.50 1hsq s TYR 15 Ca 0.19 -0.84 0.10 0.00 0.64 0.00 0.00 57.07 57.16 1hsq s TYR 15 Cb -0.11 -1.59 0.35 0.00 0.42 0.00 0.00 41.96 41.03 1hsq s TYR 15 CO 0.10 0.25 0.94 1.17 0.64 0.00 0.00 175.55 178.66 1hsq n LYS 16 N -0.97 1.02 -0.09 4.97 4.81 -1.26 -4.30 118.16 122.35 1hsq n LYS 16 Ca -0.08 -2.69 -0.16 0.00 -0.87 0.00 0.00 58.31 54.52 1hsq n LYS 16 Cb 0.67 -1.30 -0.07 0.00 0.02 0.00 0.00 35.03 34.35 1hsq n LYS 16 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hsq n ALA 17 N 0.23 1.74 0.00 3.14 0.00 -1.21 -4.78 120.51 119.64 1hsq n ALA 17 Ca 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1hsq n ALA 17 Cb 0.70 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1hsq n ALA 17 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1hsq n GLN 18 N -3.41 0.00 -2.69 0.00 7.27 -1.25 -4.33 117.38 112.97 1hsq n GLN 18 Ca -0.33 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.70 1hsq n GLN 18 Cb 0.78 -0.41 0.04 0.00 2.41 0.00 0.00 30.24 33.07 1hsq n GLN 18 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1hsq n ARG 19 N 0.00 0.21 -2.70 3.69 0.63 -1.16 -4.45 116.66 112.88 1hsq n ARG 19 Ca 0.00 -1.00 -0.06 0.00 -0.92 0.00 0.00 57.85 55.87 1hsq n ARG 19 Cb 0.00 -0.29 0.09 0.00 0.45 0.00 0.00 32.46 32.72 1hsq n ARG 19 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1hsq n GLU 20 N 2.31 1.28 -2.97 -0.14 -0.00 -1.26 -4.86 120.64 114.99 1hsq n GLU 20 Ca 0.10 -2.22 -0.20 0.00 -0.00 0.00 0.00 57.16 54.83 1hsq n GLU 20 Cb 0.65 -0.40 0.03 0.00 -0.00 0.00 0.00 31.44 31.72 1hsq n GLU 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1hsq n ASP 21 N -0.66 -5.70 0.00 -1.84 8.00 -1.26 -4.91 116.55 110.18 1hsq n ASP 21 Ca -0.02 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1hsq n ASP 21 Cb 0.84 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1hsq n ASP 21 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1hsq n GLU 22 N -3.74 0.00 -4.42 -1.24 2.13 -1.26 -3.56 120.64 108.55 1hsq n GLU 22 Ca -0.10 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.52 1hsq n GLU 22 Cb 0.61 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 1hsq n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1hsq s LEU 23 N 0.00 2.42 -0.16 4.31 1.43 -1.24 -3.00 118.68 122.45 1hsq s LEU 23 Ca 0.00 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.93 1hsq s LEU 23 Cb 0.00 -0.57 0.35 0.00 0.03 0.00 0.00 46.19 46.00 1hsq s LEU 23 CO 0.00 -0.39 1.26 1.07 0.23 0.00 0.00 176.35 178.52 1hsq n THR 24 N -0.58 1.68 -1.50 5.49 5.66 -1.26 -3.32 114.28 120.44 1hsq n THR 24 Ca -0.05 -0.78 -0.44 0.00 -3.05 0.00 0.00 64.05 59.73 1hsq n THR 24 Cb 0.64 -0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 68.83 1hsq n THR 24 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1hsq n PHE 25 N 0.01 0.26 -3.35 1.09 1.16 -1.26 -4.30 117.46 111.07 1hsq n PHE 25 Ca 0.21 0.71 -0.21 0.00 -1.87 0.00 0.00 57.45 56.29 1hsq n PHE 25 Cb 0.88 -2.09 0.01 0.00 -1.61 0.00 0.00 39.48 36.67 1hsq n PHE 25 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 1hsq s ILE 26 N -1.21 2.32 0.18 1.97 -4.36 -1.26 -0.68 121.20 118.15 1hsq s ILE 26 Ca 0.62 -1.19 -0.32 0.00 -0.26 0.00 0.00 60.65 59.49 1hsq s ILE 26 Cb -0.70 -2.51 -0.11 0.00 1.25 0.00 0.00 42.46 40.39 1hsq s ILE 26 CO 0.58 0.00 1.69 -0.75 0.24 0.00 0.00 174.94 176.70 1hsq s LYS 27 N -4.39 4.16 0.00 0.37 2.36 -0.87 -1.11 119.74 120.26 1hsq s LYS 27 Ca 0.51 2.52 0.00 0.00 -2.55 0.00 0.00 55.97 56.45 1hsq s LYS 27 Cb -0.05 -3.19 0.00 0.00 -1.05 0.00 0.00 37.83 33.54 1hsq s LYS 27 CO 0.31 -0.72 0.00 0.45 1.55 0.00 0.00 175.35 176.94 1hsq n SER 28 N 4.28 0.00 -4.71 1.43 2.88 0.44 -5.00 113.62 112.94 1hsq n SER 28 Ca 0.16 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 1hsq n SER 28 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1hsq n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hsq n ALA 29 N -1.48 1.49 -3.96 -1.46 0.00 -0.27 -4.66 120.51 110.17 1hsq n ALA 29 Ca 0.00 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1hsq n ALA 29 Cb 0.00 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.02 1hsq n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hsq s ILE 30 N -1.14 2.48 0.30 0.00 1.01 -1.26 -1.39 121.20 121.19 1hsq s ILE 30 Ca 0.57 -2.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1hsq s ILE 30 Cb -0.53 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1hsq s ILE 30 CO 0.61 -0.46 0.66 -0.63 0.00 0.00 0.00 174.94 175.11 1hsq s ILE 31 N 1.01 4.83 0.27 2.92 1.01 -1.25 -4.88 121.20 125.10 1hsq s ILE 31 Ca 0.05 0.61 0.10 0.00 0.00 0.00 0.00 60.65 61.42 1hsq s ILE 31 Cb -0.20 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1hsq s ILE 31 CO -0.06 -0.23 -0.06 -1.10 0.00 0.00 0.00 174.94 173.49 1hsq s GLN 32 N -3.16 2.11 -0.18 2.79 -0.21 -1.18 -2.54 119.66 117.29 1hsq s GLN 32 Ca 0.50 -1.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.31 1hsq s GLN 32 Cb -0.11 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1hsq s GLN 32 CO 0.23 0.36 0.13 0.09 -2.12 0.00 0.00 175.29 173.97 1hsq n ASN 33 N -0.78 -4.06 -4.28 5.90 4.13 -0.91 -2.65 115.26 112.61 1hsq n ASN 33 Ca -0.06 1.25 -0.16 0.00 1.68 0.00 0.00 54.58 57.29 1hsq n ASN 33 Cb 0.59 -4.50 -0.10 0.00 -1.54 0.00 0.00 39.78 34.23 1hsq n ASN 33 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1hsq s VAL 34 N -0.89 1.41 -0.30 2.41 1.01 -1.10 -2.57 120.40 120.36 1hsq s VAL 34 Ca -0.15 -2.07 -0.17 0.00 0.00 0.00 0.00 61.98 59.59 1hsq s VAL 34 Cb 0.01 -1.88 0.17 0.00 0.00 0.00 0.00 36.38 34.69 1hsq s VAL 34 CO 0.63 -0.64 1.22 -0.70 0.00 0.00 0.00 175.10 175.60 1hsq s GLU 35 N -3.56 0.02 0.93 2.72 2.12 -1.26 -4.91 118.70 114.76 1hsq s GLU 35 Ca 0.18 0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.38 1hsq s GLU 35 Cb 0.00 0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.31 1hsq s GLU 35 CO 0.03 -0.03 -0.36 1.63 -0.54 0.00 0.00 175.26 175.99 1hsq n LYS 36 N 5.33 -0.05 -3.67 4.30 5.02 -1.26 -3.85 118.16 123.98 1hsq n LYS 36 Ca -0.03 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1hsq n LYS 36 Cb 0.56 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 1hsq n LYS 36 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1hsq s GLN 37 N -2.37 0.80 -0.45 1.97 2.00 1.01 -4.86 119.66 117.75 1hsq s GLN 37 Ca 0.47 0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.87 1hsq s GLN 37 Cb -0.23 0.37 0.00 0.00 0.80 0.00 0.00 33.01 33.95 1hsq s GLN 37 CO 0.76 -0.23 0.00 0.39 -0.50 0.00 0.00 175.29 175.71 1hsq n GLU 38 N 1.27 -1.48 0.00 1.67 -0.58 -1.26 -2.86 120.64 117.39 1hsq n GLU 38 Ca -0.20 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1hsq n GLU 38 Cb 0.56 -4.07 0.00 0.00 -0.57 0.00 0.00 31.44 27.36 1hsq n GLU 38 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hsq n GLY 39 N 0.05 0.88 2.75 0.62 0.00 -1.26 -4.88 105.19 103.35 1hsq n GLY 39 Ca -0.04 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1hsq n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsq n GLY 40 N 0.00 5.75 2.93 -0.02 0.00 -1.24 -4.92 105.19 107.68 1hsq n GLY 40 Ca 0.00 -2.77 -0.24 0.00 0.00 0.00 0.00 46.02 43.01 1hsq n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hsq s TRP 41 N -3.50 1.21 0.30 1.61 0.52 -1.14 0.18 118.94 118.12 1hsq s TRP 41 Ca 0.48 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 56.19 1hsq s TRP 41 Cb 0.33 -0.99 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1hsq s TRP 41 CO -0.16 -0.34 0.37 -1.58 0.02 0.00 0.00 176.95 175.26 1hsq s TRP 42 N 1.19 3.17 0.43 -1.98 0.52 0.11 0.33 118.94 122.72 1hsq s TRP 42 Ca -0.05 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1hsq s TRP 42 Cb -0.14 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 1hsq s TRP 42 CO -0.02 0.23 0.08 1.03 0.02 0.00 0.00 176.95 178.29 1hsq s ARG 43 N -4.04 1.99 0.00 4.98 0.52 -1.25 -0.90 118.95 120.25 1hsq s ARG 43 Ca 0.39 -2.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 1hsq s ARG 43 Cb -0.08 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1hsq s ARG 43 CO 0.29 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1hsq n GLY 44 N -1.00 4.42 3.73 -3.53 0.00 -1.06 -3.95 105.19 103.80 1hsq n GLY 44 Ca -0.10 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1hsq n GLY 44 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hsq s ASP 45 N 0.00 3.95 -0.28 1.61 -4.77 -1.09 -3.27 116.67 112.82 1hsq s ASP 45 Ca 0.00 2.02 0.06 0.00 -3.30 0.00 0.00 52.55 51.33 1hsq s ASP 45 Cb 0.00 -2.55 0.21 0.00 -1.09 0.00 0.00 42.92 39.49 1hsq s ASP 45 CO 0.00 -2.41 1.14 0.00 0.70 0.00 0.00 175.17 174.59 1hsq n TYR 46 N -3.62 -1.22 0.00 2.11 9.36 -1.26 -3.10 117.16 119.43 1hsq n TYR 46 Ca 0.11 -1.11 0.00 0.00 3.32 0.00 0.00 57.90 60.21 1hsq n TYR 46 Cb 0.52 1.26 0.00 0.00 -0.63 0.00 0.00 39.34 40.49 1hsq n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hsq n GLY 47 N -0.66 0.42 0.13 2.98 0.00 -1.26 -4.82 105.19 101.98 1hsq n GLY 47 Ca -0.14 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.67 1hsq n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsq n GLY 48 N 0.00 -1.30 3.27 -0.02 0.00 -1.26 -4.75 105.19 101.13 1hsq n GLY 48 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1hsq n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hsq n LYS 49 N -2.25 -0.36 -3.37 1.61 4.76 -1.26 -5.09 118.16 112.19 1hsq n LYS 49 Ca 0.02 -2.11 -0.15 0.00 -2.87 0.00 0.00 58.31 53.20 1hsq n LYS 49 Cb 0.24 -0.76 -0.08 0.00 -1.84 0.00 0.00 35.03 32.59 1hsq n LYS 49 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1hsq s LYS 50 N -4.94 0.44 -0.10 1.97 2.20 -1.26 -4.29 119.74 113.77 1hsq s LYS 50 Ca 0.58 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.84 1hsq s LYS 50 Cb -0.03 -0.61 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1hsq s LYS 50 CO 0.40 -1.08 0.13 1.04 -0.36 0.00 0.00 175.35 175.47 1hsq n GLN 51 N 4.98 -0.53 0.00 4.03 6.02 -1.20 -4.79 117.38 125.88 1hsq n GLN 51 Ca 0.03 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 1hsq n GLN 51 Cb 0.47 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1hsq n GLN 51 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1hsq n LEU 52 N -0.45 0.00 -3.66 1.08 4.77 -1.22 -4.62 117.00 112.90 1hsq n LEU 52 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1hsq n LEU 52 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1hsq n LEU 52 CO 0.11 0.00 0.27 0.26 -1.33 0.00 0.00 177.39 176.70 1hsq s TRP 53 N 2.51 -0.59 -0.08 -1.77 0.52 -1.23 -4.49 118.94 113.81 1hsq s TRP 53 Ca 0.00 1.33 -0.03 0.00 0.02 0.00 0.00 56.10 57.41 1hsq s TRP 53 Cb 0.00 0.24 0.04 0.00 -1.15 0.00 0.00 33.47 32.60 1hsq s TRP 53 CO 0.00 -0.37 0.17 -0.06 0.02 0.00 0.00 176.95 176.71 1hsq s PHE 54 N -0.16 -0.20 0.75 -1.98 0.08 -0.08 -3.61 117.98 112.78 1hsq s PHE 54 Ca -0.04 0.56 -0.16 0.00 0.12 0.00 0.00 56.93 57.42 1hsq s PHE 54 Cb -0.03 -0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1hsq s PHE 54 CO 0.03 -0.19 0.61 -2.30 -0.10 0.00 0.00 175.22 173.28 1hsq n PRO 55 N 4.25 0.27 -0.20 0.24 -0.02 -1.26 0.09 135.00 138.37 1hsq n PRO 55 Ca -0.26 0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.44 1hsq n PRO 55 Cb 0.52 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 32.30 1hsq n PRO 55 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hsq n SER 56 N -0.74 2.25 -0.12 2.55 3.41 0.13 -2.25 113.62 118.85 1hsq n SER 56 Ca 0.10 -1.95 0.05 0.00 -0.26 0.00 0.00 58.87 56.81 1hsq n SER 56 Cb 0.50 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1hsq n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hsq n ASN 57 N 0.72 0.86 0.00 4.04 4.13 -1.26 -4.47 115.26 119.28 1hsq n ASN 57 Ca 0.15 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.48 1hsq n ASN 57 Cb 0.37 0.76 0.00 0.00 -1.54 0.00 0.00 39.78 39.37 1hsq n ASN 57 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1hsq n TYR 58 N -0.79 0.00 -4.52 3.10 4.02 -0.95 -4.96 117.16 113.06 1hsq n TYR 58 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.66 1hsq n TYR 58 Cb 0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 1hsq n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1hsq s VAL 59 N -0.38 0.50 -0.29 -0.72 -7.23 -1.02 -2.99 120.40 108.26 1hsq s VAL 59 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1hsq s VAL 59 Cb 0.00 -2.28 0.17 0.00 0.56 0.00 0.00 36.38 34.83 1hsq s VAL 59 CO 0.00 0.00 1.11 -0.70 -0.31 0.00 0.00 175.10 175.20 1hsq s GLU 60 N -3.65 0.25 -0.49 4.82 2.12 -1.26 -4.86 118.70 115.63 1hsq s GLU 60 Ca 0.22 0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 1hsq s GLU 60 Cb 0.01 0.06 -0.31 0.00 0.26 0.00 0.00 34.13 34.16 1hsq s GLU 60 CO 0.15 -0.05 1.81 0.39 -0.54 0.00 0.00 175.26 177.02 1hsq n GLU 61 N 3.18 0.04 -2.01 4.30 1.02 -1.26 -2.84 120.64 123.08 1hsq n GLU 61 Ca -0.17 -1.30 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 1hsq n GLU 61 Cb 0.57 -3.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 1hsq n GLU 61 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1hsq n MET 62 N 7.98 -0.76 0.00 3.49 2.81 -1.26 -4.60 117.12 124.78 1hsq n MET 62 Ca 0.43 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 57.04 1hsq n MET 62 Cb 0.44 -0.53 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 1hsq n MET 62 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1hsq n VAL 63 N 2.03 0.47 -3.42 2.03 0.31 -1.26 -4.15 118.33 114.34 1hsq n VAL 63 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1hsq n VAL 63 Cb 0.00 -0.69 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 1hsq n VAL 63 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1hsq s ASN 64 N 0.61 2.33 0.00 4.52 -0.87 -1.26 -5.13 114.94 115.14 1hsq s ASN 64 Ca 0.00 -1.99 0.00 0.00 -1.57 0.00 0.00 52.86 49.30 1hsq s ASN 64 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 1hsq s ASN 64 CO 0.00 -0.29 0.00 -2.65 -2.57 0.00 0.00 177.10 171.59 1hsq n PRO 65 N 4.10 2.57 -1.65 -0.60 -0.02 -1.26 -4.93 135.00 133.21 1hsq n PRO 65 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1hsq n PRO 65 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1hsq n PRO 65 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1hsq n GLU 66 N 0.00 -4.40 -3.65 -0.52 1.02 -1.26 -5.06 120.64 106.78 1hsq n GLU 66 Ca 0.00 3.32 -0.02 0.00 -0.02 0.00 0.00 57.16 60.45 1hsq n GLU 66 Cb 0.00 -3.93 -0.07 0.00 -0.02 0.00 0.00 31.44 27.43 1hsq n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1hsq s GLY 67 N -4.24 0.30 0.35 0.62 0.00 -1.26 -5.02 107.32 98.07 1hsq s GLY 67 Ca 0.00 3.44 0.03 0.00 0.00 0.00 0.00 44.72 48.19 1hsq s GLY 67 CO 0.00 2.41 0.53 -0.42 0.00 0.00 0.00 173.10 175.62 1hsq s ILE 68 N 0.78 4.55 0.06 0.90 1.01 -1.26 -5.10 121.20 122.13 1hsq s ILE 68 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1hsq s ILE 68 Cb -0.04 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1hsq s ILE 68 CO -0.12 -0.35 0.12 -1.38 0.00 0.00 0.00 174.94 173.21 1hsq s HIS 69 N -2.28 3.31 0.00 3.97 0.00 -1.26 -4.89 115.29 114.14 1hsq s HIS 69 Ca 0.42 0.16 0.00 0.00 -3.00 0.00 0.00 55.06 52.64 1hsq s HIS 69 Cb -0.10 -1.69 0.00 0.00 -4.00 0.00 0.00 32.58 26.80 1hsq s HIS 69 CO 0.34 0.55 0.00 -2.13 -1.00 0.00 0.00 174.74 172.50 1hsq n ARG 70 N 0.57 1.02 0.00 -0.38 3.00 -1.26 -5.24 116.66 114.37 1hsq n ARG 70 Ca -0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.89 1hsq n ARG 70 Cb 0.52 0.00 0.25 0.00 0.00 0.00 0.00 32.46 33.23 1hsq n ARG 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38