#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdk s LEU 3 N 0.00 1.55 0.07 -3.43 1.43 -1.25 -4.71 118.68 112.34 1hdk s LEU 3 Ca 0.00 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1hdk s LEU 3 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1hdk s LEU 3 CO 0.00 -3.20 0.00 0.18 0.23 0.00 0.00 176.35 173.56 1hdk n LEU 4 N -4.22 -5.43 -4.80 1.79 4.77 -1.26 -4.39 117.00 103.45 1hdk n LEU 4 Ca 0.05 2.33 -0.33 0.00 -0.03 0.00 0.00 56.01 58.03 1hdk n LEU 4 Cb 0.57 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 1hdk n LEU 4 CO 0.57 -1.92 0.72 -2.16 -1.33 0.00 0.00 177.39 173.26 1hdk s PRO 5 N -1.03 3.40 -0.05 3.23 0.04 -1.26 -4.49 135.00 134.84 1hdk s PRO 5 Ca 0.00 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.27 1hdk s PRO 5 Cb 0.00 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1hdk s PRO 5 CO 0.00 -0.75 -0.10 0.08 0.04 0.00 0.00 177.00 176.28 1hdk s VAL 6 N -2.42 0.94 0.29 -0.36 1.01 -1.26 -2.95 120.40 115.65 1hdk s VAL 6 Ca 0.64 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1hdk s VAL 6 Cb -0.16 -0.88 -0.12 0.00 0.00 0.00 0.00 36.38 35.23 1hdk s VAL 6 CO 0.35 0.31 1.51 -2.65 0.00 0.00 0.00 175.10 174.62 1hdk n PRO 7 N 3.79 2.48 -4.11 2.72 -0.02 -1.26 -5.01 135.00 133.58 1hdk n PRO 7 Ca -0.23 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 1hdk n PRO 7 Cb 0.52 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 1hdk n PRO 7 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1hdk s TYR 8 N -0.23 3.13 -0.05 6.00 5.04 0.42 -4.97 117.35 126.69 1hdk s TYR 8 Ca 0.63 -0.16 0.04 0.00 -2.44 0.00 0.00 57.07 55.14 1hdk s TYR 8 Cb -0.54 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 39.71 1hdk s TYR 8 CO 0.52 -0.01 -0.16 0.99 -1.34 0.00 0.00 175.55 175.54 1hdk s THR 9 N 0.59 1.37 -0.04 4.34 2.01 -1.26 -0.23 115.64 122.41 1hdk s THR 9 Ca 0.01 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1hdk s THR 9 Cb -0.14 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1hdk s THR 9 CO 0.02 0.40 0.09 -0.70 -0.69 0.00 0.00 174.62 173.73 1hdk s GLU 10 N 0.20 0.04 0.40 4.92 2.12 -0.65 -5.00 118.70 120.72 1hdk s GLU 10 Ca -0.07 0.25 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 1hdk s GLU 10 Cb -0.13 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.01 1hdk s GLU 10 CO 0.03 -0.14 1.26 0.00 -0.54 0.00 0.00 175.26 175.87 1hdk s ALA 11 N 0.91 3.24 0.17 6.30 0.00 -1.26 -1.48 121.76 129.63 1hdk s ALA 11 Ca -0.07 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 1hdk s ALA 11 Cb -0.10 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1hdk s ALA 11 CO -0.04 -0.71 0.50 0.00 0.00 0.00 0.00 175.76 175.51 1hdk s ALA 12 N -1.30 -1.09 -0.02 0.00 0.00 -0.14 -4.87 121.76 114.35 1hdk s ALA 12 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1hdk s ALA 12 Cb -0.36 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1hdk s ALA 12 CO 0.46 -0.75 0.00 -1.54 0.00 0.00 0.00 175.76 173.93 1hdk s SER 13 N -2.82 0.33 0.16 0.00 1.04 -1.26 -3.74 113.70 107.41 1hdk s SER 13 Ca 0.05 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.57 1hdk s SER 13 Cb -0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1hdk s SER 13 CO -0.08 -0.08 -0.23 -0.76 0.98 0.00 0.00 173.24 173.06 1hdk s LEU 14 N 0.84 2.38 0.24 2.42 1.43 -1.26 -5.02 118.68 119.71 1hdk s LEU 14 Ca -0.08 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.07 1hdk s LEU 14 Cb -0.11 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1hdk s LEU 14 CO -0.02 0.10 0.52 -0.94 0.23 0.00 0.00 176.35 176.25 1hdk s SER 15 N -2.37 -0.14 0.15 2.29 1.04 -1.26 -3.65 113.70 109.75 1hdk s SER 15 Ca 0.16 -0.79 -0.34 0.00 0.48 0.00 0.00 55.95 55.45 1hdk s SER 15 Cb -0.09 0.60 -0.15 0.00 0.10 0.00 0.00 66.02 66.49 1hdk s SER 15 CO 0.07 -1.15 1.46 0.41 0.98 0.00 0.00 173.24 175.01 1hdk n THR 16 N -0.38 0.20 0.00 2.02 -1.04 -1.26 -0.98 114.28 112.83 1hdk n THR 16 Ca -0.04 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1hdk n THR 16 Cb 0.61 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1hdk n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hdk n GLY 17 N 2.88 2.90 3.76 3.41 0.00 0.61 -5.03 105.19 113.72 1hdk n GLY 17 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1hdk n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hdk s SER 18 N -1.24 5.62 -0.03 1.61 0.01 -0.15 -4.79 113.70 114.73 1hdk s SER 18 Ca 0.00 2.34 0.02 0.00 1.31 0.00 0.00 55.95 59.62 1hdk s SER 18 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1hdk s SER 18 CO 0.00 -1.30 -0.06 -0.89 0.41 0.00 0.00 173.24 171.40 1hdk s THR 19 N -1.60 0.60 -0.19 1.44 2.01 -1.26 -1.25 115.64 115.39 1hdk s THR 19 Ca 0.72 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1hdk s THR 19 Cb -0.29 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1hdk s THR 19 CO 0.33 0.21 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 1hdk s VAL 20 N 0.42 3.15 -0.13 3.82 1.01 -0.14 -0.11 120.40 128.42 1hdk s VAL 20 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1hdk s VAL 20 Cb -0.10 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1hdk s VAL 20 CO 0.00 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.53 1hdk s THR 21 N 1.12 2.89 -0.07 3.92 2.01 0.83 -0.11 115.64 126.25 1hdk s THR 21 Ca 0.01 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1hdk s THR 21 Cb -0.14 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.17 1hdk s THR 21 CO -0.02 0.53 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.67 1hdk s ILE 22 N 0.37 1.26 -0.11 1.82 1.01 0.18 -1.29 121.20 124.45 1hdk s ILE 22 Ca -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1hdk s ILE 22 Cb -0.16 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1hdk s ILE 22 CO 0.06 0.38 -0.19 -0.75 0.00 0.00 0.00 174.94 174.44 1hdk s LYS 23 N 0.55 2.62 0.00 2.79 2.20 -0.36 0.83 119.74 128.37 1hdk s LYS 23 Ca -0.14 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1hdk s LYS 23 Cb -0.15 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1hdk s LYS 23 CO 0.04 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1hdk n GLY 24 N 3.86 1.71 3.26 5.54 0.00 -0.65 -0.50 105.19 118.40 1hdk n GLY 24 Ca -0.20 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1hdk n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hdk s ARG 25 N -1.95 0.43 0.51 1.61 3.52 -0.31 0.04 118.95 122.79 1hdk s ARG 25 Ca 0.00 0.51 -0.23 0.00 -0.13 0.00 0.00 55.73 55.88 1hdk s ARG 25 Cb 0.00 0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.54 1hdk s ARG 25 CO 0.00 -0.05 1.34 -2.14 -0.81 0.00 0.00 175.30 173.64 1hdk s PRO 26 N 0.20 3.36 0.25 5.12 0.02 -1.26 -0.94 135.00 141.74 1hdk s PRO 26 Ca -0.00 2.20 0.17 0.00 0.02 0.00 0.00 61.00 63.40 1hdk s PRO 26 Cb -0.03 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1hdk s PRO 26 CO 0.00 -1.00 1.29 -0.07 -0.33 0.00 0.00 177.00 176.89 1hdk h LEU 27 N 1.76 0.00 -8.62 -5.54 3.38 -1.32 -3.45 115.31 101.52 1hdk h LEU 27 Ca -0.51 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.21 1hdk h LEU 27 Cb 1.28 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 1hdk h LEU 27 CO 0.59 0.39 -0.62 0.68 0.09 0.00 0.00 178.44 179.57 1hdk s VAL 28 N -3.03 0.10 0.25 1.22 -7.23 -1.26 -5.08 120.40 105.36 1hdk s VAL 28 Ca 0.02 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 1hdk s VAL 28 Cb 0.08 -2.47 -0.15 0.00 0.56 0.00 0.00 36.38 34.40 1hdk s VAL 28 CO 0.75 -0.05 1.08 0.00 -0.31 0.00 0.00 175.10 176.57 1hdk h PHE 30 N 2.57 0.00 -0.61 0.00 -1.00 -1.97 -1.03 116.94 114.90 1hdk h PHE 30 Ca -0.41 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.49 1hdk h PHE 30 Cb 1.34 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.86 1hdk h PHE 30 CO 0.50 0.04 0.41 1.25 -1.61 0.00 0.00 178.31 178.90 1hdk h LEU 31 N 0.00 0.28 -1.17 1.54 7.12 -1.89 0.69 115.31 121.87 1hdk h LEU 31 Ca -0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1hdk h LEU 31 Cb 0.08 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1hdk h LEU 31 CO 0.00 0.16 0.00 0.59 -0.13 0.00 0.00 178.44 179.06 1hdk n ASN 32 N -4.45 1.72 -3.57 1.25 3.02 -0.39 -4.98 115.26 107.86 1hdk n ASN 32 Ca 0.11 -1.87 -0.26 0.00 -0.03 0.00 0.00 54.58 52.53 1hdk n ASN 32 Cb 0.46 -0.17 0.04 0.00 -0.61 0.00 0.00 39.78 39.50 1hdk n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hdk n GLU 33 N 0.40 -1.39 -1.41 3.52 1.02 0.23 -4.98 120.64 118.04 1hdk n GLU 33 Ca 0.13 0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 57.60 1hdk n GLU 33 Cb 0.30 -4.39 0.09 0.00 -0.02 0.00 0.00 31.44 27.41 1hdk n GLU 33 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1hdk s PRO 34 N -5.41 2.22 0.32 3.49 0.04 -1.26 -4.77 135.00 129.62 1hdk s PRO 34 Ca 0.40 0.92 0.11 0.00 0.04 0.00 0.00 61.00 62.46 1hdk s PRO 34 Cb -0.13 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1hdk s PRO 34 CO 0.84 -1.60 -0.14 0.71 0.04 0.00 0.00 177.00 176.85 1hdk s TYR 35 N -3.01 2.36 -0.03 0.56 1.51 -1.26 -1.50 117.35 115.98 1hdk s TYR 35 Ca 0.61 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 1hdk s TYR 35 Cb -0.16 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1hdk s TYR 35 CO 0.55 0.64 0.01 -1.17 -1.11 0.00 0.00 175.55 174.48 1hdk s LEU 36 N -3.57 1.05 -0.03 -1.29 2.96 -0.10 -1.14 118.68 116.56 1hdk s LEU 36 Ca 0.31 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1hdk s LEU 36 Cb -0.01 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.49 1hdk s LEU 36 CO 0.16 -0.12 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.40 1hdk s GLN 37 N 1.15 0.98 -0.12 1.98 0.74 -0.04 -0.09 119.66 124.26 1hdk s GLN 37 Ca -0.08 -0.30 -0.00 0.00 0.05 0.00 0.00 55.36 55.03 1hdk s GLN 37 Cb -0.13 -0.91 0.02 0.00 1.10 0.00 0.00 33.01 33.09 1hdk s GLN 37 CO -0.02 0.10 -0.09 0.08 -0.55 0.00 0.00 175.29 174.80 1hdk s VAL 38 N 0.25 1.17 -0.09 1.34 1.01 -0.34 -0.62 120.40 123.12 1hdk s VAL 38 Ca -0.04 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1hdk s VAL 38 Cb -0.09 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1hdk s VAL 38 CO 0.01 0.39 -0.20 -1.81 0.00 0.00 0.00 175.10 173.49 1hdk s ASP 39 N 1.61 2.70 -0.40 3.32 1.01 0.02 -1.22 116.67 123.71 1hdk s ASP 39 Ca 0.04 -0.48 -0.16 0.00 0.71 0.00 0.00 52.55 52.66 1hdk s ASP 39 Cb -0.13 -1.23 0.01 0.00 1.01 0.00 0.00 42.92 42.58 1hdk s ASP 39 CO -0.08 0.11 0.37 -0.36 0.21 0.00 0.00 175.17 175.42 1hdk s PHE 40 N 0.50 3.20 0.22 4.23 0.40 -0.22 -0.91 117.98 125.41 1hdk s PHE 40 Ca -0.16 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1hdk s PHE 40 Cb -0.17 -2.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1hdk s PHE 40 CO 0.06 -0.61 0.38 -1.01 0.70 0.00 0.00 175.22 174.75 1hdk s HIS 41 N 1.96 3.48 -0.55 0.36 3.76 0.11 -0.44 115.29 123.97 1hdk s HIS 41 Ca 0.10 0.19 0.24 0.00 -0.15 0.00 0.00 55.06 55.44 1hdk s HIS 41 Cb -0.18 -1.74 0.33 0.00 1.11 0.00 0.00 32.58 32.10 1hdk s HIS 41 CO 0.12 0.39 1.35 1.79 -0.85 0.00 0.00 174.74 177.53 1hdk h THR 42 N 1.34 0.00 -4.07 1.30 1.35 -1.47 0.86 112.91 112.21 1hdk h THR 42 Ca -0.49 -0.65 -0.30 0.00 -0.55 0.00 0.00 66.41 64.42 1hdk h THR 42 Cb 1.21 1.30 -0.15 0.00 -1.73 0.00 0.00 68.15 68.78 1hdk h THR 42 CO 0.65 0.00 -0.62 -1.61 -0.25 0.00 0.00 175.52 173.69 1hdk s GLU 43 N -3.20 1.28 0.33 4.72 0.41 -1.26 -4.24 118.70 116.73 1hdk s GLU 43 Ca 0.05 -1.67 0.26 0.00 -0.41 0.00 0.00 54.97 53.20 1hdk s GLU 43 Cb 0.12 -0.06 1.08 0.00 -1.78 0.00 0.00 34.13 33.48 1hdk s GLU 43 CO 0.72 -0.30 1.78 0.52 -0.49 0.00 0.00 175.26 177.48 1hdk h MET 44 N 2.53 0.00 -6.39 1.61 2.86 -1.91 -3.40 114.93 110.23 1hdk h MET 44 Ca -0.37 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.72 1hdk h MET 44 Cb 1.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 1hdk h MET 44 CO 0.58 0.00 -0.06 -1.59 1.06 0.00 0.00 176.91 176.90 1hdk s LYS 45 N -3.40 3.96 0.51 1.72 -2.85 -1.26 -4.99 119.74 113.44 1hdk s LYS 45 Ca 0.04 0.49 0.15 0.00 -1.00 0.00 0.00 55.97 55.64 1hdk s LYS 45 Cb 0.09 -2.83 1.24 0.00 -2.06 0.00 0.00 37.83 34.26 1hdk s LYS 45 CO 0.43 0.42 2.14 0.93 0.10 0.00 0.00 175.35 179.37 1hdk h GLU 46 N 3.25 0.04 -0.00 1.78 5.08 -2.01 -2.24 114.58 120.48 1hdk h GLU 46 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1hdk h GLU 46 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1hdk h GLU 46 CO 0.66 0.03 -0.03 0.39 -1.00 0.00 0.00 179.01 179.06 1hdk n GLU 47 N -4.53 0.50 -1.04 2.33 4.71 -1.26 -4.90 120.64 116.45 1hdk n GLU 47 Ca -0.02 -0.05 -0.29 0.00 -0.01 0.00 0.00 57.16 56.79 1hdk n GLU 47 Cb 0.09 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.20 1hdk n GLU 47 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1hdk s SER 48 N -2.54 2.52 0.75 1.62 1.04 -0.85 -4.94 113.70 111.31 1hdk s SER 48 Ca 0.29 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.94 1hdk s SER 48 Cb 0.20 -2.05 0.05 0.00 0.10 0.00 0.00 66.02 64.32 1hdk s SER 48 CO 0.46 -3.22 1.22 -1.81 0.98 0.00 0.00 173.24 170.87 1hdk s ASP 49 N -3.23 4.02 -0.22 7.02 1.01 -1.26 -4.79 116.67 119.21 1hdk s ASP 49 Ca 0.65 2.40 0.00 0.00 0.71 0.00 0.00 52.55 56.32 1hdk s ASP 49 Cb -0.20 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.17 1hdk s ASP 49 CO 0.59 -2.38 -0.12 -0.63 0.21 0.00 0.00 175.17 172.83 1hdk s ILE 50 N -1.96 2.42 0.14 0.77 1.01 -0.38 -1.51 121.20 121.68 1hdk s ILE 50 Ca 0.75 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1hdk s ILE 50 Cb -0.30 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.88 1hdk s ILE 50 CO 0.47 0.28 1.42 0.58 0.00 0.00 0.00 174.94 177.68 1hdk h VAL 51 N 6.19 1.28 -2.90 2.92 2.07 -1.02 -0.12 116.25 124.67 1hdk h VAL 51 Ca -0.35 -1.78 -0.28 0.00 0.82 0.00 0.00 66.70 65.11 1hdk h VAL 51 Cb 1.11 1.70 -0.35 0.00 -1.52 0.00 0.00 31.29 32.23 1hdk h VAL 51 CO 0.57 0.57 -0.61 0.12 0.02 0.00 0.00 177.57 178.25 1hdk s PHE 52 N -4.05 -0.25 -0.19 1.57 5.36 -1.23 -4.68 117.98 114.51 1hdk s PHE 52 Ca -0.10 0.59 -0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1hdk s PHE 52 Cb 0.10 -0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1hdk s PHE 52 CO 0.88 -0.37 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.63 1hdk s HIS 53 N 2.33 2.94 -0.21 10.12 5.65 -0.13 -1.05 115.29 134.93 1hdk s HIS 53 Ca 0.03 -0.72 -0.00 0.00 0.25 0.00 0.00 55.06 54.62 1hdk s HIS 53 Cb -0.13 -2.02 0.05 0.00 -1.18 0.00 0.00 32.58 29.31 1hdk s HIS 53 CO -0.08 -0.36 -0.04 0.12 -0.65 0.00 0.00 174.74 173.73 1hdk s PHE 54 N 0.99 2.01 -0.14 3.88 5.36 -0.36 -1.93 117.98 127.80 1hdk s PHE 54 Ca -0.00 -1.45 0.01 0.00 -0.96 0.00 0.00 56.93 54.53 1hdk s PHE 54 Cb -0.15 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.12 1hdk s PHE 54 CO 0.00 -0.71 -0.14 -1.14 -1.46 0.00 0.00 175.22 171.77 1hdk s GLN 55 N 1.53 2.28 -0.21 10.12 0.74 -0.05 -1.20 119.66 132.87 1hdk s GLN 55 Ca -0.03 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 1hdk s GLN 55 Cb -0.18 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.85 1hdk s GLN 55 CO -0.07 -0.19 0.07 0.08 -0.55 0.00 0.00 175.29 174.63 1hdk s VAL 56 N 1.35 4.66 -0.48 1.34 1.01 0.87 -0.73 120.40 128.41 1hdk s VAL 56 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1hdk s VAL 56 Cb -0.13 -3.13 0.12 0.00 0.00 0.00 0.00 36.38 33.24 1hdk s VAL 56 CO -0.08 0.41 0.38 0.00 0.00 0.00 0.00 175.10 175.81 1hdk n PHE 58 N 5.00 1.98 0.00 0.00 3.72 -0.56 -1.12 117.46 126.48 1hdk n PHE 58 Ca -0.10 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1hdk n PHE 58 Cb 0.41 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 1hdk n PHE 58 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hdk n GLY 59 N 3.55 2.69 0.81 1.37 0.00 -1.26 -4.55 105.19 107.80 1hdk n GLY 59 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1hdk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdk n ARG 60 N -2.00 0.08 -3.80 1.61 1.74 -0.27 -5.08 116.66 108.94 1hdk n ARG 60 Ca 0.00 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 1hdk n ARG 60 Cb 0.00 -0.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.91 1hdk n ARG 60 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1hdk s ARG 61 N -1.82 1.37 -0.03 5.56 1.04 -0.91 -4.78 118.95 119.38 1hdk s ARG 61 Ca -0.05 -0.80 0.05 0.00 -1.04 0.00 0.00 55.73 53.89 1hdk s ARG 61 Cb 0.01 0.44 -0.01 0.00 -2.04 0.00 0.00 34.95 33.34 1hdk s ARG 61 CO 0.07 -0.63 -0.19 0.08 -0.04 0.00 0.00 175.30 174.59 1hdk s VAL 62 N -2.98 1.54 -0.03 4.99 1.01 -0.03 -0.38 120.40 124.53 1hdk s VAL 62 Ca 0.15 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1hdk s VAL 62 Cb -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1hdk s VAL 62 CO 0.04 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 1hdk s VAL 63 N -0.17 1.80 0.06 2.92 1.01 0.09 -0.69 120.40 125.43 1hdk s VAL 63 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1hdk s VAL 63 Cb -0.10 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1hdk s VAL 63 CO 0.01 0.51 -0.16 -0.04 0.00 0.00 0.00 175.10 175.43 1hdk s MET 64 N -0.42 0.95 0.02 2.72 -1.94 0.11 -0.87 119.30 119.87 1hdk s MET 64 Ca 0.06 -0.89 -0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1hdk s MET 64 Cb -0.10 -1.00 0.01 0.00 2.01 0.00 0.00 34.83 35.75 1hdk s MET 64 CO 0.00 0.24 0.11 -1.71 -0.01 0.00 0.00 175.02 173.65 1hdk n ASN 65 N 1.57 -0.20 -3.87 3.03 2.85 -0.81 -0.40 115.26 117.43 1hdk n ASN 65 Ca -0.19 -1.11 -0.11 0.00 -0.11 0.00 0.00 54.58 53.06 1hdk n ASN 65 Cb 0.54 0.32 -0.10 0.00 1.24 0.00 0.00 39.78 41.79 1hdk n ASN 65 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1hdk s SER 66 N -1.26 0.04 -0.24 1.20 1.04 -1.26 -0.96 113.70 112.25 1hdk s SER 66 Ca 0.02 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.23 1hdk s SER 66 Cb -0.00 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1hdk s SER 66 CO 0.01 -0.41 -0.12 -0.60 0.98 0.00 0.00 173.24 173.10 1hdk s ARG 67 N -1.63 2.29 -0.15 4.02 3.52 -0.06 -1.05 118.95 125.90 1hdk s ARG 67 Ca -0.13 -1.22 0.01 0.00 -0.13 0.00 0.00 55.73 54.26 1hdk s ARG 67 Cb -0.06 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1hdk s ARG 67 CO 0.01 -0.51 -0.18 -1.21 -0.81 0.00 0.00 175.30 172.59 1hdk s GLU 68 N 1.17 3.14 -1.40 5.12 2.02 0.19 -1.25 118.70 127.68 1hdk s GLU 68 Ca -0.06 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1hdk s GLU 68 Cb -0.19 -2.55 0.04 0.00 0.10 0.00 0.00 34.13 31.53 1hdk s GLU 68 CO -0.06 0.01 0.98 0.66 0.02 0.00 0.00 175.26 176.86 1hdk n TYR 69 N 4.05 -2.36 -0.77 1.61 4.01 -1.26 -1.82 117.16 120.62 1hdk n TYR 69 Ca -0.19 0.93 0.00 0.00 -0.16 0.00 0.00 57.90 58.47 1hdk n TYR 69 Cb 0.52 -4.47 0.00 0.00 -0.31 0.00 0.00 39.34 35.08 1hdk n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hdk n GLY 70 N -1.69 1.16 3.33 2.72 0.00 -1.26 -5.01 105.19 104.43 1hdk n GLY 70 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1hdk n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdk s ALA 71 N -3.44 2.28 0.35 4.61 0.00 -0.75 -5.07 121.76 119.73 1hdk s ALA 71 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 1hdk s ALA 71 Cb 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 1hdk s ALA 71 CO 0.00 0.47 1.17 -1.58 0.00 0.00 0.00 175.76 175.82 1hdk s TRP 72 N -0.39 3.22 0.00 0.00 0.52 -1.26 -0.64 118.94 120.39 1hdk s TRP 72 Ca 0.03 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.73 1hdk s TRP 72 Cb -0.12 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.80 1hdk s TRP 72 CO 0.02 -1.16 0.00 1.63 0.02 0.00 0.00 176.95 177.45 1hdk n LYS 73 N 0.53 3.59 -2.20 4.98 4.01 -0.22 -4.92 118.16 123.93 1hdk n LYS 73 Ca 0.02 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.39 1hdk n LYS 73 Cb 0.45 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.95 1hdk n LYS 73 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1hdk s GLN 74 N 3.26 3.73 0.31 1.97 -0.44 -1.26 -4.86 119.66 122.38 1hdk s GLN 74 Ca 0.00 1.44 -0.29 0.00 -2.50 0.00 0.00 55.36 54.01 1hdk s GLN 74 Cb 0.00 -4.02 -0.10 0.00 -1.64 0.00 0.00 33.01 27.25 1hdk s GLN 74 CO 0.00 -1.36 1.22 -1.14 0.50 0.00 0.00 175.29 174.50 1hdk s GLN 75 N 4.72 4.47 -0.10 1.67 0.74 -1.26 -4.73 119.66 125.17 1hdk s GLN 75 Ca 0.68 2.04 0.03 0.00 0.05 0.00 0.00 55.36 58.16 1hdk s GLN 75 Cb -0.21 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.78 1hdk s GLN 75 CO 0.29 -0.03 -0.20 0.08 -0.55 0.00 0.00 175.29 174.89 1hdk s VAL 76 N -1.16 2.48 -0.00 1.34 1.01 0.47 -4.97 120.40 119.57 1hdk s VAL 76 Ca 0.47 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1hdk s VAL 76 Cb -0.36 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1hdk s VAL 76 CO 0.48 0.55 -0.21 -0.70 0.00 0.00 0.00 175.10 175.22 1hdk s GLU 77 N 0.19 1.60 0.03 2.72 2.12 -1.26 0.05 118.70 124.14 1hdk s GLU 77 Ca -0.12 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.47 1hdk s GLU 77 Cb -0.16 -1.59 -0.02 0.00 0.26 0.00 0.00 34.13 32.62 1hdk s GLU 77 CO 0.06 0.43 -0.13 0.45 -0.54 0.00 0.00 175.26 175.53 1hdk s SER 78 N -0.66 1.58 0.00 -1.70 0.15 0.14 -5.00 113.70 108.21 1hdk s SER 78 Ca 0.08 -0.42 0.20 0.00 0.70 0.00 0.00 55.95 56.51 1hdk s SER 78 Cb -0.08 -0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.23 1hdk s SER 78 CO -0.00 0.04 1.10 0.29 1.20 0.00 0.00 173.24 175.87 1hdk n LYS 79 N 2.04 1.73 -1.74 5.44 4.76 -1.26 -0.85 118.16 128.28 1hdk n LYS 79 Ca -0.17 -1.49 -0.42 0.00 -2.87 0.00 0.00 58.31 53.36 1hdk n LYS 79 Cb 0.55 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 1hdk n LYS 79 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1hdk s ASN 80 N -1.83 6.45 -0.50 4.39 2.47 -1.26 -4.84 114.94 119.82 1hdk s ASN 80 Ca 0.22 2.70 0.05 0.00 0.42 0.00 0.00 52.86 56.25 1hdk s ASN 80 Cb 0.17 -2.56 0.19 0.00 -1.45 0.00 0.00 41.25 37.59 1hdk s ASN 80 CO 0.32 -1.00 0.43 0.80 -3.72 0.00 0.00 177.10 173.93 1hdk n MET 81 N 6.06 0.85 0.15 0.43 0.00 -1.26 -4.71 117.12 118.64 1hdk n MET 81 Ca 0.18 -3.63 0.13 0.00 -0.00 0.00 0.00 57.70 54.38 1hdk n MET 81 Cb 0.39 -1.81 0.49 0.00 0.00 0.00 0.00 33.22 32.28 1hdk n MET 81 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1hdk h PRO 82 N 5.25 0.00 -6.94 2.12 0.13 -1.97 -3.46 132.00 127.13 1hdk h PRO 82 Ca 0.21 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.81 1hdk h PRO 82 Cb 0.85 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.06 1hdk h PRO 82 CO 0.51 0.00 0.62 -0.06 -0.23 0.00 0.00 178.00 178.83 1hdk s PHE 83 N -3.31 2.84 -0.11 1.56 0.08 -1.26 -5.02 117.98 112.76 1hdk s PHE 83 Ca 0.05 1.41 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 1hdk s PHE 83 Cb 0.10 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.85 1hdk s PHE 83 CO 0.47 -2.07 -0.07 -0.65 -0.10 0.00 0.00 175.22 172.80 1hdk s GLN 84 N -2.19 3.19 0.09 0.44 -1.52 -1.26 -4.88 119.66 113.53 1hdk s GLN 84 Ca 0.56 -0.57 -0.36 0.00 -1.95 0.00 0.00 55.36 53.03 1hdk s GLN 84 Cb -0.38 -2.70 -0.16 0.00 -0.22 0.00 0.00 33.01 29.55 1hdk s GLN 84 CO 0.50 0.43 1.40 -3.47 -0.25 0.00 0.00 175.29 173.89 1hdk n ASP 85 N 2.94 1.97 -0.25 5.90 -0.08 -1.26 -1.53 116.55 124.23 1hdk n ASP 85 Ca -0.18 1.11 -0.03 0.00 -1.51 0.00 0.00 54.79 54.18 1hdk n ASP 85 Cb 0.53 -1.24 -0.01 0.00 2.34 0.00 0.00 41.12 42.73 1hdk n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1hdk n GLY 86 N 2.75 0.36 3.92 0.27 0.00 -1.26 -4.97 105.19 106.25 1hdk n GLY 86 Ca 0.18 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1hdk n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hdk s GLN 87 N -2.11 3.44 0.41 1.61 -1.52 -0.59 -4.96 119.66 115.95 1hdk s GLN 87 Ca 0.00 -0.41 -0.23 0.00 -1.95 0.00 0.00 55.36 52.76 1hdk s GLN 87 Cb 0.00 -3.05 -0.09 0.00 -0.22 0.00 0.00 33.01 29.65 1hdk s GLN 87 CO 0.00 0.62 1.04 -2.00 -0.25 0.00 0.00 175.29 174.70 1hdk s GLU 88 N -2.42 4.11 0.12 2.91 2.12 -1.26 -4.36 118.70 119.92 1hdk s GLU 88 Ca 0.34 1.47 0.07 0.00 0.36 0.00 0.00 54.97 57.20 1hdk s GLU 88 Cb -0.13 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1hdk s GLU 88 CO 0.26 -0.18 -0.16 -0.59 -0.54 0.00 0.00 175.26 174.05 1hdk s PHE 89 N -1.73 1.53 -0.24 5.30 -0.12 0.11 -4.97 117.98 117.85 1hdk s PHE 89 Ca 0.59 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 1hdk s PHE 89 Cb -0.20 -0.81 0.04 0.00 -0.63 0.00 0.00 43.02 41.41 1hdk s PHE 89 CO 0.26 0.18 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.50 1hdk s GLU 90 N -2.35 2.60 -0.17 1.99 2.12 -1.26 -1.64 118.70 119.98 1hdk s GLU 90 Ca 0.08 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.25 1hdk s GLU 90 Cb -0.07 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.41 1hdk s GLU 90 CO 0.04 -0.45 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.10 1hdk s LEU 91 N 1.23 3.15 -0.07 2.70 2.96 0.24 -0.94 118.68 127.95 1hdk s LEU 91 Ca -0.03 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1hdk s LEU 91 Cb -0.17 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1hdk s LEU 91 CO -0.06 0.12 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.02 1hdk s SER 92 N 0.67 1.92 -0.26 3.68 1.04 -0.47 0.52 113.70 120.79 1hdk s SER 92 Ca -0.02 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1hdk s SER 92 Cb -0.14 -0.87 0.03 0.00 0.10 0.00 0.00 66.02 65.13 1hdk s SER 92 CO 0.02 0.02 -0.04 -0.63 0.98 0.00 0.00 173.24 173.59 1hdk s ILE 93 N 0.76 2.96 -0.16 -1.02 1.01 0.85 -0.76 121.20 124.83 1hdk s ILE 93 Ca -0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.37 1hdk s ILE 93 Cb -0.16 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1hdk s ILE 93 CO 0.03 0.15 0.16 -0.44 0.00 0.00 0.00 174.94 174.84 1hdk s SER 94 N 1.33 6.32 -0.53 3.58 0.01 -0.10 -0.97 113.70 123.34 1hdk s SER 94 Ca -0.00 0.37 -0.20 0.00 1.31 0.00 0.00 55.95 57.42 1hdk s SER 94 Cb -0.17 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.02 1hdk s SER 94 CO -0.04 0.25 0.71 -0.69 0.41 0.00 0.00 173.24 173.88 1hdk s VAL 95 N -0.12 4.75 0.45 3.43 1.01 -0.38 -1.23 120.40 128.30 1hdk s VAL 95 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1hdk s VAL 95 Cb -0.12 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1hdk s VAL 95 CO 0.01 -0.91 0.64 -0.76 0.00 0.00 0.00 175.10 174.08 1hdk s LEU 96 N 2.97 3.61 0.28 3.92 1.43 0.54 -0.29 118.68 131.14 1hdk s LEU 96 Ca 0.18 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1hdk s LEU 96 Cb -0.18 -2.88 0.42 0.00 0.03 0.00 0.00 46.19 43.58 1hdk s LEU 96 CO 0.13 -0.79 1.91 -0.65 0.23 0.00 0.00 176.35 177.18 1hdk h PRO 97 N 0.46 1.13 0.00 1.29 0.11 -1.97 -3.14 132.00 129.89 1hdk h PRO 97 Ca -0.44 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hdk h PRO 97 Cb 1.27 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1hdk h PRO 97 CO 0.52 0.75 -1.67 -0.40 -0.21 0.00 0.00 178.00 177.00 1hdk n ASP 98 N -4.47 0.28 -3.27 -2.05 5.75 -1.26 -4.95 116.55 106.58 1hdk n ASP 98 Ca 0.14 -0.09 -0.01 0.00 -0.01 0.00 0.00 54.79 54.83 1hdk n ASP 98 Cb 0.14 1.57 0.02 0.00 -1.03 0.00 0.00 41.12 41.82 1hdk n ASP 98 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1hdk n LYS 99 N -2.20 0.44 -3.73 0.11 0.00 -1.19 -2.35 118.16 109.24 1hdk n LYS 99 Ca -0.02 -1.11 -0.37 0.00 -0.00 0.00 0.00 58.31 56.80 1hdk n LYS 99 Cb 0.53 1.59 -0.06 0.00 -0.00 0.00 0.00 35.03 37.08 1hdk n LYS 99 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1hdk s TYR 100 N -2.33 3.63 -0.15 5.58 2.02 -0.08 -0.34 117.35 125.69 1hdk s TYR 100 Ca 0.23 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.62 1hdk s TYR 100 Cb -0.02 -2.09 -0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1hdk s TYR 100 CO 0.03 0.66 -0.17 -1.14 -1.57 0.00 0.00 175.55 173.36 1hdk s GLN 101 N -0.90 3.19 -0.24 -0.62 0.74 -0.36 -1.54 119.66 119.92 1hdk s GLN 101 Ca 0.18 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.76 1hdk s GLN 101 Cb -0.14 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 1hdk s GLN 101 CO 0.07 0.04 0.03 0.08 -0.55 0.00 0.00 175.29 174.96 1hdk s VAL 102 N 0.74 3.99 -0.09 1.34 1.01 0.12 -0.92 120.40 126.60 1hdk s VAL 102 Ca -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1hdk s VAL 102 Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1hdk s VAL 102 CO 0.01 0.36 -0.01 -0.04 0.00 0.00 0.00 175.10 175.41 1hdk s MET 103 N 1.57 3.03 -0.22 2.72 1.00 0.06 -1.20 119.30 126.26 1hdk s MET 103 Ca 0.06 -0.44 0.02 0.00 0.00 0.00 0.00 55.69 55.33 1hdk s MET 103 Cb -0.15 -2.78 0.04 0.00 0.00 0.00 0.00 34.83 31.94 1hdk s MET 103 CO 0.01 0.65 -0.15 0.08 0.00 0.00 0.00 175.02 175.60 1hdk s VAL 104 N -0.73 2.14 -1.36 -6.03 1.01 -0.15 -1.37 120.40 113.91 1hdk s VAL 104 Ca 0.11 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1hdk s VAL 104 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1hdk s VAL 104 CO 0.02 0.27 0.57 0.59 0.00 0.00 0.00 175.10 176.56 1hdk n ASN 105 N 4.54 -0.82 0.00 3.32 5.03 -0.12 -1.84 115.26 125.37 1hdk n ASN 105 Ca -0.18 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.37 1hdk n ASN 105 Cb 0.46 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.63 1hdk n ASN 105 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hdk n GLY 106 N -1.76 2.37 3.50 7.41 0.00 -1.26 -5.02 105.19 110.43 1hdk n GLY 106 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1hdk n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hdk s GLN 107 N -0.00 3.53 0.08 1.61 0.74 -0.77 -5.05 119.66 119.80 1hdk s GLN 107 Ca 0.00 -0.53 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 1hdk s GLN 107 Cb 0.00 -2.85 -0.09 0.00 1.10 0.00 0.00 33.01 31.17 1hdk s GLN 107 CO 0.00 0.30 1.69 0.45 -0.55 0.00 0.00 175.29 177.18 1hdk s SER 108 N 0.19 6.57 0.00 6.67 0.15 -1.26 -0.98 113.70 125.04 1hdk s SER 108 Ca -0.03 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1hdk s SER 108 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1hdk s SER 108 CO 0.03 -0.91 0.00 -1.20 1.20 0.00 0.00 173.24 172.36 1hdk n SER 109 N 5.63 3.15 -3.71 5.45 7.64 -0.34 -4.93 113.62 126.52 1hdk n SER 109 Ca 0.16 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 1hdk n SER 109 Cb 0.40 0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.98 1hdk n SER 109 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1hdk s TYR 110 N -1.47 -0.21 0.05 1.43 2.02 -1.06 -4.94 117.35 113.16 1hdk s TYR 110 Ca 0.00 0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1hdk s TYR 110 Cb 0.00 0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.70 1hdk s TYR 110 CO 0.00 -0.52 0.03 0.95 -1.57 0.00 0.00 175.55 174.44 1hdk s THR 111 N -2.28 0.18 -0.19 -0.71 -4.23 -1.26 0.12 115.64 107.26 1hdk s THR 111 Ca -0.07 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1hdk s THR 111 Cb -0.01 -1.20 0.10 0.00 1.34 0.00 0.00 72.50 72.72 1hdk s THR 111 CO -0.01 -0.80 0.34 0.12 -0.54 0.00 0.00 174.62 173.73 1hdk s PHE 112 N -3.31 -0.64 0.34 3.99 5.36 -0.59 -4.96 117.98 118.17 1hdk s PHE 112 Ca 0.01 1.04 -0.29 0.00 -0.96 0.00 0.00 56.93 56.73 1hdk s PHE 112 Cb 0.03 0.06 -0.11 0.00 -0.34 0.00 0.00 43.02 42.66 1hdk s PHE 112 CO -0.08 -0.52 1.38 -0.51 -1.46 0.00 0.00 175.22 174.03 1hdk s ASP 113 N 2.51 6.61 0.23 6.13 1.01 -1.26 -0.90 116.67 131.00 1hdk s ASP 113 Ca 0.04 2.82 -0.31 0.00 0.71 0.00 0.00 52.55 55.81 1hdk s ASP 113 Cb -0.13 -2.65 -0.12 0.00 1.01 0.00 0.00 42.92 41.03 1hdk s ASP 113 CO -0.12 -0.67 1.66 -1.00 0.21 0.00 0.00 175.17 175.25 1hdk s HIS 114 N -1.05 2.88 -0.15 4.23 3.76 -0.99 -4.89 115.29 119.08 1hdk s HIS 114 Ca 0.51 0.52 0.13 0.00 -0.15 0.00 0.00 55.06 56.07 1hdk s HIS 114 Cb -0.42 -4.09 -0.19 0.00 1.11 0.00 0.00 32.58 28.99 1hdk s HIS 114 CO 0.56 -3.97 0.05 0.54 -0.85 0.00 0.00 174.74 171.06 1hdk n ARG 115 N 3.39 1.48 -4.24 1.40 1.74 -1.26 -4.96 116.66 114.21 1hdk n ARG 115 Ca 0.13 -0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.03 1hdk n ARG 115 Cb 0.36 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 1hdk n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1hdk s ILE 116 N -2.37 0.86 0.32 0.55 1.01 -1.26 -5.12 121.20 115.19 1hdk s ILE 116 Ca -0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 1hdk s ILE 116 Cb 0.05 -0.81 -0.12 0.00 0.01 0.00 0.00 42.46 41.59 1hdk s ILE 116 CO 0.62 -0.09 1.46 2.29 0.00 0.00 0.00 174.94 179.22 1hdk n LYS 117 N 1.90 2.45 0.33 2.79 2.85 -1.26 -4.84 118.16 122.39 1hdk n LYS 117 Ca -0.19 0.87 0.21 0.00 -1.05 0.00 0.00 58.31 58.15 1hdk n LYS 117 Cb 0.55 -2.57 1.16 0.00 -0.65 0.00 0.00 35.03 33.52 1hdk n LYS 117 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1hdk h PRO 118 N 3.62 0.00 0.00 -1.58 0.11 -1.99 -1.23 132.00 130.94 1hdk h PRO 118 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hdk h PRO 118 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hdk h PRO 118 CO 0.70 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 1hdk n GLU 119 N -3.23 0.07 0.18 1.05 4.71 -1.24 -1.60 120.64 120.58 1hdk n GLU 119 Ca -0.03 0.38 0.12 0.00 -0.01 0.00 0.00 57.16 57.63 1hdk n GLU 119 Cb 0.08 -1.65 0.27 0.00 -1.01 0.00 0.00 31.44 29.12 1hdk n GLU 119 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1hdk h ALA 120 N 2.30 1.00 -2.55 0.62 0.00 -1.54 -3.46 119.26 115.64 1hdk h ALA 120 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1hdk h ALA 120 Cb 0.21 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.03 1hdk h ALA 120 CO 0.00 0.00 0.80 0.08 0.00 0.00 0.00 179.25 180.13 1hdk s VAL 121 N -3.18 3.09 0.00 0.00 1.01 -0.63 -4.38 120.40 116.31 1hdk s VAL 121 Ca 0.08 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1hdk s VAL 121 Cb 0.08 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1hdk s VAL 121 CO 0.64 0.05 0.00 0.29 0.00 0.00 0.00 175.10 176.08 1hdk n LYS 122 N 4.14 2.90 -3.74 2.72 5.02 0.27 -4.38 118.16 125.10 1hdk n LYS 122 Ca 0.13 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1hdk n LYS 122 Cb 0.41 -0.71 -0.09 0.00 -0.02 0.00 0.00 35.03 34.62 1hdk n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1hdk s MET 123 N -1.31 0.66 -0.07 1.97 0.00 -1.06 -0.96 119.30 118.53 1hdk s MET 123 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 55.69 55.73 1hdk s MET 123 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 34.83 35.13 1hdk s MET 123 CO 0.00 -0.17 -0.20 0.08 0.00 0.00 0.00 175.02 174.73 1hdk s VAL 124 N -1.00 1.70 -0.09 10.11 1.01 -0.55 0.09 120.40 131.67 1hdk s VAL 124 Ca -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1hdk s VAL 124 Cb -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1hdk s VAL 124 CO 0.04 0.48 -0.20 -1.58 0.00 0.00 0.00 175.10 173.84 1hdk s GLN 125 N 0.27 2.64 -0.17 2.72 0.74 -0.08 -1.64 119.66 124.13 1hdk s GLN 125 Ca -0.12 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.56 1hdk s GLN 125 Cb -0.15 -2.03 0.01 0.00 1.10 0.00 0.00 33.01 31.93 1hdk s GLN 125 CO 0.05 0.12 -0.17 0.08 -0.55 0.00 0.00 175.29 174.83 1hdk s VAL 126 N 0.46 2.45 0.00 1.34 1.01 0.68 -0.80 120.40 125.55 1hdk s VAL 126 Ca -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1hdk s VAL 126 Cb -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1hdk s VAL 126 CO 0.07 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 173.02 1hdk n TRP 127 N 4.33 -0.64 -1.81 5.22 4.27 0.21 -0.44 117.44 128.59 1hdk n TRP 127 Ca -0.20 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 1hdk n TRP 127 Cb 0.51 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1hdk n TRP 127 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1hdk n ARG 128 N 0.00 0.00 -1.20 -2.67 5.12 -1.26 -0.86 116.66 115.79 1hdk n ARG 128 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1hdk n ARG 128 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1hdk n ARG 128 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1hdk n ASP 129 N 0.28 7.70 -4.13 0.55 8.00 -0.30 -4.88 116.55 123.77 1hdk n ASP 129 Ca 0.00 -2.53 -0.09 0.00 0.71 0.00 0.00 54.79 52.88 1hdk n ASP 129 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 39.51 1hdk n ASP 129 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1hdk s ILE 130 N 1.98 0.13 -0.07 0.53 -4.36 -1.26 -0.85 121.20 117.30 1hdk s ILE 130 Ca 0.67 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1hdk s ILE 130 Cb 0.21 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.97 1hdk s ILE 130 CO -0.04 -0.57 -0.06 -0.94 0.24 0.00 0.00 174.94 173.57 1hdk s SER 131 N -3.02 4.75 -0.22 4.36 1.04 -0.12 -4.85 113.70 115.64 1hdk s SER 131 Ca 0.20 0.00 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 1hdk s SER 131 Cb 0.07 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.94 1hdk s SER 131 CO -0.01 0.36 -0.01 -0.22 0.98 0.00 0.00 173.24 174.35 1hdk s LEU 132 N -0.80 3.12 -0.15 2.42 2.96 -1.26 -1.16 118.68 123.81 1hdk s LEU 132 Ca 0.12 -0.30 0.19 0.00 -0.22 0.00 0.00 54.13 53.92 1hdk s LEU 132 Cb -0.11 -1.80 -0.27 0.00 0.50 0.00 0.00 46.19 44.51 1hdk s LEU 132 CO 0.02 0.00 0.18 0.35 -1.32 0.00 0.00 176.35 175.58 1hdk n THR 133 N 4.66 0.96 -3.69 3.68 -2.24 0.34 -3.93 114.28 114.06 1hdk n THR 133 Ca -0.17 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 1hdk n THR 133 Cb 0.51 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1hdk n THR 133 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1hdk s LYS 134 N -2.76 0.65 -0.08 -0.78 2.20 -0.97 -4.89 119.74 113.11 1hdk s LYS 134 Ca -0.09 0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1hdk s LYS 134 Cb 0.08 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 1hdk s LYS 134 CO 0.83 -0.12 0.16 0.12 -0.36 0.00 0.00 175.35 175.98 1hdk s PHE 135 N -0.18 -0.19 -0.06 4.03 2.19 -1.26 -1.22 117.98 121.29 1hdk s PHE 135 Ca -0.04 0.62 -0.04 0.00 0.33 0.00 0.00 56.93 57.80 1hdk s PHE 135 Cb -0.03 -0.23 0.02 0.00 -1.31 0.00 0.00 43.02 41.47 1hdk s PHE 135 CO 0.02 -0.26 0.15 1.21 1.83 0.00 0.00 175.22 178.17 1hdk s ASN 136 N 2.17 -0.14 -0.17 6.13 3.04 -0.41 -5.00 114.94 120.55 1hdk s ASN 136 Ca 0.02 0.30 -0.01 0.00 0.04 0.00 0.00 52.86 53.21 1hdk s ASN 136 Cb -0.12 0.27 -0.00 0.00 -1.54 0.00 0.00 41.25 39.85 1hdk s ASN 136 CO -0.06 -0.09 -0.12 -0.69 -3.04 0.00 0.00 177.10 173.11 1hdk s VAL 137 N 0.47 2.92 0.05 -5.21 1.01 -1.26 -0.12 120.40 118.26 1hdk s VAL 137 Ca -0.03 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 1hdk s VAL 137 Cb -0.05 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 1hdk s VAL 137 CO -0.02 0.49 1.34 -0.94 0.00 0.00 0.00 175.10 175.96 1hdk s SER 138 N 0.98 6.91 -0.28 3.32 1.04 0.85 -4.91 113.70 121.60 1hdk s SER 138 Ca -0.02 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.64 1hdk s SER 138 Cb -0.15 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.86 1hdk s SER 138 CO -0.01 -0.63 1.18 -1.22 0.98 0.00 0.00 173.24 173.54 1hdk n TYR 139 N 4.54 2.40 1.32 5.02 4.01 -1.26 -4.34 117.16 128.86 1hdk n TYR 139 Ca 0.11 -2.15 0.13 0.00 -0.16 0.00 0.00 57.90 55.83 1hdk n TYR 139 Cb 0.44 -0.32 0.37 0.00 -0.31 0.00 0.00 39.34 39.52 1hdk n TYR 139 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68