#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkh s GLU 2 N 0.00 3.69 1.08 -2.82 2.02 -1.26 -1.52 118.70 119.90 1nkh s GLU 2 Ca 0.00 -1.59 -0.17 0.00 0.02 0.00 0.00 54.97 53.23 1nkh s GLU 2 Cb 0.00 -5.21 0.24 0.00 0.10 0.00 0.00 34.13 29.26 1nkh s GLU 2 CO 0.00 -2.03 1.18 -0.51 0.02 0.00 0.00 175.26 173.92 1nkh s LEU 3 N 3.81 1.55 0.35 1.80 1.43 -0.42 -4.97 118.68 122.22 1nkh s LEU 3 Ca 0.42 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 1nkh s LEU 3 Cb -0.01 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1nkh s LEU 3 CO -0.07 -3.44 0.20 0.42 0.23 0.00 0.00 176.35 173.69 1nkh s THR 4 N -3.33 3.09 0.20 5.49 -4.23 -1.26 -4.78 115.64 110.81 1nkh s THR 4 Ca 0.71 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.50 1nkh s THR 4 Cb -0.09 -3.03 0.15 0.00 1.34 0.00 0.00 72.50 70.87 1nkh s THR 4 CO 0.55 -0.16 1.68 0.50 -0.54 0.00 0.00 174.62 176.65 1nkh h LYS 5 N 1.43 0.14 -0.14 3.99 3.64 -1.98 -0.12 116.57 123.53 1nkh h LYS 5 Ca -0.44 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1nkh h LYS 5 Cb 1.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1nkh h LYS 5 CO 0.62 0.09 0.08 0.00 -2.27 0.00 0.00 179.45 177.97 1nkh h LYS 7 N 0.13 0.96 0.38 0.00 1.57 -1.77 -0.20 116.57 117.63 1nkh h LYS 7 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1nkh h LYS 7 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1nkh h LYS 7 CO -0.01 0.66 -0.18 0.28 -0.57 0.00 0.00 179.45 179.63 1nkh h VAL 8 N 0.98 0.60 -0.73 0.50 2.07 -0.80 0.20 116.25 119.06 1nkh h VAL 8 Ca 0.26 -0.42 0.14 0.00 0.82 0.00 0.00 66.70 67.49 1nkh h VAL 8 Cb -0.07 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1nkh h VAL 8 CO -0.05 0.08 0.27 0.28 0.02 0.00 0.00 177.57 178.16 1nkh h SER 9 N -0.77 0.22 -0.25 0.57 0.02 -0.65 0.13 113.55 112.82 1nkh h SER 9 Ca -0.05 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1nkh h SER 9 Cb 0.52 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1nkh h SER 9 CO 0.09 0.08 -0.12 0.45 -1.14 0.00 0.00 176.83 176.18 1nkh h HIS 10 N 0.40 0.60 -0.40 3.45 -0.00 -0.95 -2.88 115.15 115.38 1nkh h HIS 10 Ca 0.40 -0.15 -0.04 0.00 -0.00 0.00 0.00 60.37 60.58 1nkh h HIS 10 Cb 0.61 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1nkh h HIS 10 CO -0.18 0.78 0.09 0.00 -0.00 0.00 0.00 177.93 178.62 1nkh h ALA 11 N 0.72 1.42 -0.62 2.45 0.00 0.74 -3.11 119.26 120.86 1nkh h ALA 11 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nkh h ALA 11 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nkh h ALA 11 CO 0.04 0.42 0.00 0.44 0.00 0.00 0.00 179.25 180.15 1nkh n ILE 12 N -4.32 1.72 -0.32 0.00 -5.35 0.32 -4.69 119.36 106.71 1nkh n ILE 12 Ca 0.02 -1.20 0.20 0.00 -0.27 0.00 0.00 62.75 61.50 1nkh n ILE 12 Cb 0.20 0.17 0.39 0.00 -1.74 0.00 0.00 39.64 38.66 1nkh n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1nkh h LYS 13 N 3.87 0.08 0.00 6.28 1.79 -1.44 0.12 116.57 127.27 1nkh h LYS 13 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nkh h LYS 13 Cb 1.36 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1nkh h LYS 13 CO 0.19 0.05 0.03 0.22 -1.08 0.00 0.00 179.45 178.87 1nkh h ASP 14 N 0.08 0.00 0.57 0.86 3.58 -1.87 0.02 116.42 119.66 1nkh h ASP 14 Ca 0.67 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.12 1nkh h ASP 14 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1nkh h ASP 14 CO -0.78 0.00 -0.74 0.00 -2.88 0.00 0.00 179.24 174.84 1nkh n ILE 15 N -2.41 0.17 -1.55 2.25 3.06 0.41 -4.88 119.36 116.41 1nkh n ILE 15 Ca -0.02 -0.17 -0.48 0.00 -2.50 0.00 0.00 62.75 59.59 1nkh n ILE 15 Cb 0.07 0.15 -0.03 0.00 0.54 0.00 0.00 39.64 40.37 1nkh n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nkh n ASP 16 N -1.85 0.83 0.00 9.51 2.03 -0.01 -1.32 116.55 125.74 1nkh n ASP 16 Ca 0.04 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.50 1nkh n ASP 16 Cb 0.40 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1nkh n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nkh n GLY 17 N 1.73 1.69 3.67 0.27 0.00 0.22 -4.94 105.19 107.83 1nkh n GLY 17 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1nkh n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nkh n TYR 18 N -1.63 2.26 -2.21 1.61 9.36 -0.43 -0.19 117.16 125.93 1nkh n TYR 18 Ca 0.00 0.27 -0.17 0.00 3.32 0.00 0.00 57.90 61.32 1nkh n TYR 18 Cb 0.00 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.15 1nkh n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1nkh n GLN 19 N 3.47 -1.79 -0.51 2.98 -0.06 -1.26 -1.80 117.38 118.40 1nkh n GLN 19 Ca 0.17 0.88 0.00 0.00 -2.00 0.00 0.00 57.00 56.05 1nkh n GLN 19 Cb 0.29 -5.44 0.00 0.00 -4.06 0.00 0.00 30.24 21.02 1nkh n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nkh n GLY 20 N -0.79 1.86 3.65 1.69 0.00 0.74 -5.00 105.19 107.35 1nkh n GLY 20 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1nkh n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nkh s ILE 21 N -3.46 4.90 0.83 -0.61 -1.09 -0.75 -4.85 121.20 116.17 1nkh s ILE 21 Ca 0.00 1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 59.77 1nkh s ILE 21 Cb 0.00 -4.07 0.09 0.00 -1.58 0.00 0.00 42.46 36.90 1nkh s ILE 21 CO 0.00 0.00 1.18 -0.94 -1.23 0.00 0.00 174.94 173.96 1nkh s SER 22 N 1.27 4.34 0.27 3.58 1.04 -1.26 -0.61 113.70 122.32 1nkh s SER 22 Ca 0.34 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.55 1nkh s SER 22 Cb -0.16 -1.24 0.36 0.00 0.10 0.00 0.00 66.02 65.08 1nkh s SER 22 CO 0.10 -2.01 1.69 -0.07 0.98 0.00 0.00 173.24 173.93 1nkh h LEU 23 N -1.13 0.51 -0.42 2.42 3.38 -1.94 -2.04 115.31 116.08 1nkh h LEU 23 Ca -0.46 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1nkh h LEU 23 Cb 1.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1nkh h LEU 23 CO 0.64 0.78 0.27 -0.07 0.09 0.00 0.00 178.44 180.14 1nkh h LEU 24 N 0.44 0.45 -1.03 1.67 3.38 -1.91 0.67 115.31 118.98 1nkh h LEU 24 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1nkh h LEU 24 Cb 0.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1nkh h LEU 24 CO 0.06 0.33 0.16 -0.33 0.09 0.00 0.00 178.44 178.74 1nkh h GLU 25 N 0.54 0.86 -0.43 1.13 5.08 -1.85 -2.24 114.58 117.66 1nkh h GLU 25 Ca 0.16 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1nkh h GLU 25 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1nkh h GLU 25 CO -0.05 0.75 -0.14 -1.49 -1.00 0.00 0.00 179.01 177.08 1nkh h TRP 26 N 0.83 0.98 -0.83 4.33 4.06 -0.55 -0.94 115.95 123.82 1nkh h TRP 26 Ca 0.19 -0.22 0.02 0.00 2.06 0.00 0.00 58.89 60.93 1nkh h TRP 26 Cb 0.26 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.15 1nkh h TRP 26 CO 0.02 0.98 0.55 0.00 -3.56 0.00 0.00 178.44 176.43 1nkh h ALA 27 N 0.85 1.44 -0.02 1.49 0.00 -0.69 0.14 119.26 122.47 1nkh h ALA 27 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nkh h ALA 27 Cb 0.69 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nkh h ALA 27 CO 0.05 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.80 1nkh h VAL 29 N -0.33 1.11 -0.36 0.00 2.07 -0.68 -2.43 116.25 115.64 1nkh h VAL 29 Ca 0.00 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1nkh h VAL 29 Cb 0.37 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1nkh h VAL 29 CO 0.00 0.11 -0.11 -0.07 0.02 0.00 0.00 177.57 177.52 1nkh h LEU 30 N 0.55 0.60 -0.28 2.57 3.38 -0.76 0.16 115.31 121.53 1nkh h LEU 30 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1nkh h LEU 30 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1nkh h LEU 30 CO -0.03 0.75 0.14 0.15 0.09 0.00 0.00 178.44 179.54 1nkh h PHE 31 N 0.57 0.39 0.00 1.13 3.57 -1.08 0.99 116.94 122.51 1nkh h PHE 31 Ca 0.10 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1nkh h PHE 31 Cb 0.53 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1nkh h PHE 31 CO 0.02 0.35 -0.29 0.45 -2.23 0.00 0.00 178.31 176.61 1nkh h HIS 32 N 0.32 0.00 0.09 0.41 3.86 -1.06 0.14 115.15 118.91 1nkh h HIS 32 Ca 0.10 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.13 1nkh h HIS 32 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1nkh h HIS 32 CO -0.03 0.29 -0.84 1.15 0.86 0.00 0.00 177.93 179.37 1nkh h THR 33 N 0.00 1.39 0.00 2.45 2.02 -0.35 -3.43 112.91 114.99 1nkh h THR 33 Ca -0.00 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1nkh h THR 33 Cb 0.94 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 1nkh h THR 33 CO 0.04 0.65 0.00 -1.54 0.37 0.00 0.00 175.52 175.04 1nkh n SER 34 N -4.21 0.37 -1.49 4.18 3.41 0.30 -4.93 113.62 111.25 1nkh n SER 34 Ca -0.18 -0.87 -0.16 0.00 -0.26 0.00 0.00 58.87 57.41 1nkh n SER 34 Cb 0.75 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1nkh n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nkh n GLY 35 N 0.08 0.67 2.42 5.00 0.00 0.49 -2.03 105.19 111.82 1nkh n GLY 35 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1nkh n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nkh n TYR 36 N -3.27 -0.35 -3.05 1.61 4.01 -1.24 -4.76 117.16 110.11 1nkh n TYR 36 Ca -0.17 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.14 1nkh n TYR 36 Cb 0.58 -3.13 -0.06 0.00 -0.31 0.00 0.00 39.34 36.42 1nkh n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nkh s ASP 37 N -2.57 6.31 0.00 7.72 -1.08 -0.86 -1.31 116.67 124.90 1nkh s ASP 37 Ca 0.00 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1nkh s ASP 37 Cb 0.00 -2.34 0.28 0.00 -1.46 0.00 0.00 42.92 39.40 1nkh s ASP 37 CO 0.00 -0.92 1.21 0.35 0.52 0.00 0.00 175.17 176.33 1nkh n THR 38 N 5.90 1.55 -0.75 1.71 -2.24 -0.57 -2.12 114.28 117.76 1nkh n THR 38 Ca -0.02 0.39 0.07 0.00 -2.27 0.00 0.00 64.05 62.23 1nkh n THR 38 Cb 0.47 -1.28 0.17 0.00 -2.10 0.00 0.00 70.33 67.59 1nkh n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkh n GLN 39 N -1.51 2.39 -1.78 -0.78 6.02 -1.26 -4.05 117.38 116.41 1nkh n GLN 39 Ca 0.02 -2.44 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 1nkh n GLN 39 Cb 0.08 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1nkh n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nkh s ALA 40 N -2.30 3.68 -0.11 -1.58 0.00 -0.90 -4.75 121.76 115.80 1nkh s ALA 40 Ca 0.30 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 1nkh s ALA 40 Cb 0.24 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1nkh s ALA 40 CO 0.07 -1.03 0.01 0.08 0.00 0.00 0.00 175.76 174.89 1nkh s VAL 41 N -0.45 0.46 -0.05 0.00 1.01 -1.26 -1.04 120.40 119.06 1nkh s VAL 41 Ca 0.59 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1nkh s VAL 41 Cb -0.48 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1nkh s VAL 41 CO 0.54 0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.97 1nkh s VAL 42 N 1.93 1.03 -0.18 2.92 1.01 -0.98 -4.98 120.40 121.15 1nkh s VAL 42 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1nkh s VAL 42 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1nkh s VAL 42 CO -0.06 0.32 0.45 0.20 0.00 0.00 0.00 175.10 176.01 1nkh s ASN 43 N 0.42 6.53 0.00 3.32 0.02 -1.26 -0.18 114.94 123.79 1nkh s ASN 43 Ca -0.09 0.63 0.00 0.00 -1.02 0.00 0.00 52.86 52.38 1nkh s ASN 43 Cb -0.13 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1nkh s ASN 43 CO 0.02 -0.09 0.00 -0.67 0.02 0.00 0.00 177.10 176.38 1nkh n ASP 44 N 4.39 0.00 0.00 -1.22 -0.08 -0.17 -4.99 116.55 114.48 1nkh n ASP 44 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1nkh n ASP 44 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 1nkh n ASP 44 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1nkh n ASN 45 N 0.00 0.00 -0.00 1.67 3.02 -1.26 -4.86 115.26 113.83 1nkh n ASN 45 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1nkh n ASN 45 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1nkh n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkh n GLY 46 N 3.15 -1.02 3.96 7.41 0.00 -1.26 -4.99 105.19 112.45 1nkh n GLY 46 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 1nkh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nkh s SER 47 N -3.29 5.25 -0.03 1.61 1.04 -1.26 -5.06 113.70 111.95 1nkh s SER 47 Ca 0.05 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1nkh s SER 47 Cb 0.16 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 1nkh s SER 47 CO 0.86 -0.89 -0.18 -0.89 0.98 0.00 0.00 173.24 173.12 1nkh s THR 48 N -2.50 1.50 -0.10 2.02 2.01 -1.26 -1.00 115.64 116.30 1nkh s THR 48 Ca 0.52 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1nkh s THR 48 Cb -0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1nkh s THR 48 CO 0.32 0.43 0.00 -1.61 -0.69 0.00 0.00 174.62 173.07 1nkh s GLU 49 N -0.14 3.14 -0.03 4.92 2.02 0.75 -1.30 118.70 128.06 1nkh s GLU 49 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.63 1nkh s GLU 49 Cb -0.10 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1nkh s GLU 49 CO 0.01 0.62 -0.18 0.71 0.02 0.00 0.00 175.26 176.44 1nkh s TYR 50 N -0.64 2.58 0.00 1.61 1.51 0.11 -2.31 117.35 120.22 1nkh s TYR 50 Ca 0.10 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1nkh s TYR 50 Cb -0.12 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1nkh s TYR 50 CO 0.02 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.01 1nkh n GLY 51 N 2.23 -0.95 0.33 0.71 0.00 -0.21 -1.27 105.19 106.03 1nkh n GLY 51 Ca -0.17 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.80 1nkh n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nkh h LEU 52 N 0.00 0.68 -0.19 0.99 5.85 -1.69 -1.83 115.31 119.13 1nkh h LEU 52 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1nkh h LEU 52 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nkh h LEU 52 CO 0.00 0.32 -0.47 0.49 -0.34 0.00 0.00 178.44 178.45 1nkh n PHE 53 N -4.77 0.00 -3.59 1.25 3.72 -1.26 -4.29 117.46 108.52 1nkh n PHE 53 Ca 0.18 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.33 1nkh n PHE 53 Cb 0.40 -0.18 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 1nkh n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nkh n GLN 54 N -1.18 -2.56 -2.74 -1.08 1.13 -0.51 -4.94 117.38 105.51 1nkh n GLN 54 Ca 0.08 0.60 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 1nkh n GLN 54 Cb 0.34 -4.85 -0.03 0.00 0.11 0.00 0.00 30.24 25.81 1nkh n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nkh s ILE 55 N -3.51 4.86 0.28 5.09 1.01 -0.40 -4.36 121.20 124.16 1nkh s ILE 55 Ca 0.33 1.99 -0.19 0.00 0.00 0.00 0.00 60.65 62.77 1nkh s ILE 55 Cb -0.09 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1nkh s ILE 55 CO 0.82 0.11 0.77 -0.55 0.00 0.00 0.00 174.94 176.09 1nkh s SER 56 N 1.03 7.02 0.00 3.58 0.15 -1.26 0.09 113.70 124.31 1nkh s SER 56 Ca 0.49 1.46 0.30 0.00 0.70 0.00 0.00 55.95 58.90 1nkh s SER 56 Cb -0.20 -2.44 1.65 0.00 -1.71 0.00 0.00 66.02 63.32 1nkh s SER 56 CO 0.23 -0.07 2.09 -0.90 1.20 0.00 0.00 173.24 175.80 1nkh n ASP 57 N 0.33 0.00 -0.08 5.45 5.75 -0.42 -2.40 116.55 125.19 1nkh n ASP 57 Ca 0.00 -0.48 -0.07 0.00 -0.01 0.00 0.00 54.79 54.23 1nkh n ASP 57 Cb 0.52 -0.17 0.11 0.00 -1.03 0.00 0.00 41.12 40.55 1nkh n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nkh h ARG 58 N 0.00 0.75 0.00 0.11 2.43 -1.82 -3.41 114.38 112.44 1nkh h ARG 58 Ca 0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1nkh h ARG 58 Cb 0.16 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1nkh h ARG 58 CO 0.00 0.89 -0.06 1.19 -1.51 0.00 0.00 179.97 180.47 1nkh n PHE 59 N -4.13 0.00 -0.03 2.20 3.72 -1.25 -4.33 117.46 113.65 1nkh n PHE 59 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1nkh n PHE 59 Cb 0.41 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 1nkh n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nkh n TRP 60 N -0.26 1.01 -4.28 1.38 7.02 -1.01 0.42 117.44 121.73 1nkh n TRP 60 Ca 0.00 0.24 -0.15 0.00 -1.02 0.00 0.00 57.50 56.56 1nkh n TRP 60 Cb 0.01 -1.13 -0.10 0.00 -2.42 0.00 0.00 31.31 27.67 1nkh n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nkh s LYS 62 N -3.76 4.10 0.45 0.00 2.20 0.85 -4.39 119.74 119.20 1nkh s LYS 62 Ca 0.20 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 56.01 1nkh s LYS 62 Cb 0.03 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1nkh s LYS 62 CO 0.03 -0.15 0.19 -1.54 -0.36 0.00 0.00 175.35 173.53 1nkh s SER 63 N 1.30 4.41 0.47 1.43 1.04 -1.26 -0.26 113.70 120.83 1nkh s SER 63 Ca 0.17 -1.19 0.25 0.00 0.48 0.00 0.00 55.95 55.66 1nkh s SER 63 Cb -0.15 -0.18 1.14 0.00 0.10 0.00 0.00 66.02 66.92 1nkh s SER 63 CO 0.09 -0.69 1.93 -1.28 0.98 0.00 0.00 173.24 174.27 1nkh h SER 64 N 1.30 0.00 0.39 7.02 0.87 -2.00 -3.16 113.55 117.97 1nkh h SER 64 Ca -0.42 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 59.83 1nkh h SER 64 Cb 1.27 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1nkh h SER 64 CO 0.68 0.19 -1.49 -0.33 -0.53 0.00 0.00 176.83 175.35 1nkh h GLU 65 N 0.00 0.36 -2.15 2.24 5.08 -2.00 -3.38 114.58 114.73 1nkh h GLU 65 Ca -0.00 -0.62 -0.63 0.00 -1.00 0.00 0.00 59.36 57.10 1nkh h GLU 65 Cb 0.58 0.23 -0.39 0.00 0.50 0.00 0.00 28.75 29.67 1nkh h GLU 65 CO 0.02 1.27 -0.32 1.19 -1.00 0.00 0.00 179.01 180.17 1nkh n PHE 66 N -3.57 3.72 0.28 4.33 0.99 -1.21 -4.85 117.46 117.15 1nkh n PHE 66 Ca -0.16 -3.56 0.18 0.00 -0.00 0.00 0.00 57.45 53.90 1nkh n PHE 66 Cb 1.06 -0.56 0.94 0.00 -1.00 0.00 0.00 39.48 39.92 1nkh n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1nkh h PRO 67 N 3.11 0.00 0.00 -1.08 0.11 -1.73 -2.48 132.00 129.93 1nkh h PRO 67 Ca 0.24 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.14 1nkh h PRO 67 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 1nkh h PRO 67 CO 0.91 0.00 -1.30 1.49 -0.21 0.00 0.00 178.00 178.89 1nkh h GLU 68 N 0.00 0.00 -6.69 1.05 4.22 -1.90 -3.49 114.58 107.78 1nkh h GLU 68 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.92 1nkh h GLU 68 Cb 0.14 0.00 0.22 0.00 0.50 0.00 0.00 28.75 29.61 1nkh h GLU 68 CO 0.00 0.53 -0.81 0.43 -2.18 0.00 0.00 179.01 176.98 1nkh n SER 69 N -3.08 -2.49 -0.24 1.04 7.64 -0.93 -4.87 113.62 110.68 1nkh n SER 69 Ca -0.08 0.23 0.15 0.00 1.01 0.00 0.00 58.87 60.18 1nkh n SER 69 Cb 0.92 -1.11 0.45 0.00 -1.01 0.00 0.00 64.21 63.45 1nkh n SER 69 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nkh h GLU 70 N -1.60 0.52 -6.63 1.43 3.07 -1.75 -3.46 114.58 106.17 1nkh h GLU 70 Ca -0.45 -0.03 -0.53 0.00 -0.50 0.00 0.00 59.36 57.85 1nkh h GLU 70 Cb 1.30 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 29.04 1nkh h GLU 70 CO 0.34 0.35 -0.93 -1.71 -1.40 0.00 0.00 179.01 175.65 1nkh n ASN 71 N -4.54 -1.59 -0.19 1.42 4.05 -0.45 -4.77 115.26 109.20 1nkh n ASN 71 Ca 0.18 -1.11 0.15 0.00 0.45 0.00 0.00 54.58 54.25 1nkh n ASN 71 Cb 0.57 -2.62 0.49 0.00 1.23 0.00 0.00 39.78 39.45 1nkh n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nkh h ILE 72 N -1.96 0.78 0.00 -1.44 2.04 -0.02 0.14 117.51 117.05 1nkh h ILE 72 Ca -0.66 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1nkh h ILE 72 Cb 1.38 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1nkh h ILE 72 CO 0.60 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.83 1nkh n GLY 74 N 0.51 -0.18 3.21 0.00 0.00 0.48 -4.94 105.19 104.27 1nkh n GLY 74 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1nkh n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nkh s ILE 75 N -3.25 0.12 0.15 -0.61 -4.36 -1.26 -5.05 121.20 106.95 1nkh s ILE 75 Ca 0.37 -1.02 -0.30 0.00 -0.26 0.00 0.00 60.65 59.44 1nkh s ILE 75 Cb -0.16 -1.19 -0.07 0.00 1.25 0.00 0.00 42.46 42.29 1nkh s ILE 75 CO 0.55 -0.57 1.00 -0.55 0.24 0.00 0.00 174.94 175.62 1nkh s SER 76 N -2.59 7.45 0.65 4.36 0.15 -1.26 -0.11 113.70 122.35 1nkh s SER 76 Ca 0.01 1.91 0.38 0.00 0.70 0.00 0.00 55.95 58.96 1nkh s SER 76 Cb 0.03 -2.60 2.11 0.00 -1.71 0.00 0.00 66.02 63.85 1nkh s SER 76 CO -0.09 -0.07 2.23 0.00 1.20 0.00 0.00 173.24 176.51 1nkh h ASP 78 N 0.00 0.00 0.35 0.00 3.32 -1.91 -0.83 116.42 117.35 1nkh h ASP 78 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nkh h ASP 78 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1nkh h ASP 78 CO -0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1nkh n LYS 79 N -2.70 0.62 -0.26 3.56 4.76 0.50 -2.17 118.16 122.47 1nkh n LYS 79 Ca 0.01 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1nkh n LYS 79 Cb 0.25 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.15 1nkh n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nkh n LEU 80 N -1.18 3.34 -0.28 -0.35 4.77 -0.32 -4.30 117.00 118.68 1nkh n LEU 80 Ca 0.17 -2.07 0.09 0.00 -0.03 0.00 0.00 56.01 54.18 1nkh n LEU 80 Cb 0.19 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.12 1nkh n LEU 80 CO 0.21 0.80 0.60 0.18 -1.33 0.00 0.00 177.39 177.85 1nkh n LEU 81 N 0.81 2.72 -4.79 2.23 4.77 -0.92 -3.26 117.00 118.56 1nkh n LEU 81 Ca 0.16 -3.10 -0.30 0.00 -0.03 0.00 0.00 56.01 52.74 1nkh n LEU 81 Cb 0.52 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1nkh n LEU 81 CO 0.11 0.73 -0.17 1.51 -1.33 0.00 0.00 177.39 178.24 1nkh s ASP 82 N -2.68 4.27 0.00 -1.43 1.47 -1.26 -4.67 116.67 112.37 1nkh s ASP 82 Ca 0.35 -1.48 0.24 0.00 1.18 0.00 0.00 52.55 52.84 1nkh s ASP 82 Cb 0.30 0.34 0.92 0.00 -0.34 0.00 0.00 42.92 44.13 1nkh s ASP 82 CO 0.04 -0.86 1.66 0.47 0.68 0.00 0.00 175.17 177.16 1nkh n ASP 83 N -1.37 1.51 -4.43 2.11 8.00 -1.26 -4.70 116.55 116.42 1nkh n ASP 83 Ca -0.12 -1.59 -0.44 0.00 0.71 0.00 0.00 54.79 53.35 1nkh n ASP 83 Cb 0.66 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.66 1nkh n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nkh s GLU 84 N -1.89 3.11 0.00 -1.24 8.01 -1.26 -4.95 118.70 120.48 1nkh s GLU 84 Ca 0.35 -0.99 0.31 0.00 0.01 0.00 0.00 54.97 54.65 1nkh s GLU 84 Cb 0.19 -4.19 1.69 0.00 -4.31 0.00 0.00 34.13 27.51 1nkh s GLU 84 CO 0.30 -1.50 2.12 1.28 0.01 0.00 0.00 175.26 177.47 1nkh n LEU 85 N 6.69 0.10 -0.27 1.80 4.32 -1.26 -4.33 117.00 124.05 1nkh n LEU 85 Ca -0.06 0.07 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 1nkh n LEU 85 Cb 0.44 -0.11 0.06 0.00 -1.62 0.00 0.00 43.42 42.19 1nkh n LEU 85 CO 0.59 0.02 1.11 0.44 -1.22 0.00 0.00 177.39 178.32 1nkh h ASP 86 N 0.15 0.94 0.82 -1.43 3.32 -1.92 -0.71 116.42 117.58 1nkh h ASP 86 Ca 0.00 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1nkh h ASP 86 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1nkh h ASP 86 CO 0.00 0.77 -0.54 -2.24 -1.72 0.00 0.00 179.24 175.51 1nkh h ASP 87 N 1.03 0.00 -0.19 6.45 3.04 -1.92 -0.26 116.42 124.58 1nkh h ASP 87 Ca 0.26 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 54.03 1nkh h ASP 87 Cb 0.05 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.33 1nkh h ASP 87 CO -0.04 0.54 0.02 0.44 -2.04 0.00 0.00 179.24 178.16 1nkh h ASP 88 N 0.00 0.31 -0.33 4.15 3.45 -1.70 -1.11 116.42 121.19 1nkh h ASP 88 Ca -0.01 -0.28 0.01 0.00 0.43 0.00 0.00 57.03 57.18 1nkh h ASP 88 Cb 1.10 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 1nkh h ASP 88 CO 0.07 0.51 0.20 0.40 -1.57 0.00 0.00 179.24 178.86 1nkh h ILE 89 N 0.09 1.05 -0.62 0.35 2.04 -0.93 0.22 117.51 119.72 1nkh h ILE 89 Ca 0.06 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1nkh h ILE 89 Cb 0.34 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1nkh h ILE 89 CO 0.01 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.51 1nkh h ALA 90 N 1.14 1.33 -0.25 1.87 0.00 -0.95 0.62 119.26 123.01 1nkh h ALA 90 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1nkh h ALA 90 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1nkh h ALA 90 CO -0.05 0.51 -0.61 0.00 0.00 0.00 0.00 179.25 179.10 1nkh h ALA 92 N 0.65 1.25 -0.66 0.00 0.00 0.30 -1.36 119.26 119.44 1nkh h ALA 92 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1nkh h ALA 92 Cb 1.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1nkh h ALA 92 CO 0.13 0.62 0.20 0.87 0.00 0.00 0.00 179.25 181.07 1nkh h LYS 93 N 1.19 1.01 -0.20 0.00 1.57 -0.83 0.01 116.57 119.32 1nkh h LYS 93 Ca 0.30 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1nkh h LYS 93 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1nkh h LYS 93 CO -0.05 0.87 0.08 0.87 -0.57 0.00 0.00 179.45 180.64 1nkh h LYS 94 N 0.97 0.29 -0.83 3.15 1.57 -1.07 0.81 116.57 121.47 1nkh h LYS 94 Ca 0.21 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1nkh h LYS 94 Cb 0.29 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1nkh h LYS 94 CO -0.01 0.36 0.49 0.82 -0.57 0.00 0.00 179.45 180.54 1nkh h ILE 95 N 0.17 0.96 -0.49 1.86 2.04 -0.85 0.58 117.51 121.79 1nkh h ILE 95 Ca 0.07 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1nkh h ILE 95 Cb 0.17 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1nkh h ILE 95 CO -0.01 0.16 0.20 -0.07 0.00 0.00 0.00 178.15 178.43 1nkh h LEU 96 N 0.85 0.66 -0.85 1.44 3.38 -0.45 0.40 115.31 120.75 1nkh h LEU 96 Ca 0.38 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1nkh h LEU 96 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1nkh h LEU 96 CO -0.21 0.64 -0.50 0.00 0.09 0.00 0.00 178.44 178.46 1nkh h ALA 97 N 1.05 0.99 0.04 1.53 0.00 -0.15 -0.99 119.26 121.74 1nkh h ALA 97 Ca 0.16 -0.45 -0.38 0.00 0.00 0.00 0.00 54.91 54.24 1nkh h ALA 97 Cb 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1nkh h ALA 97 CO -0.02 0.62 -2.32 -0.89 0.00 0.00 0.00 179.25 176.65 1nkh n ILE 98 N -3.68 1.58 -0.01 0.00 5.41 0.13 -4.72 119.36 118.07 1nkh n ILE 98 Ca -0.01 -0.60 -0.01 0.00 1.00 0.00 0.00 62.75 63.13 1nkh n ILE 98 Cb 0.56 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.96 1nkh n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nkh n LYS 99 N -3.32 2.44 0.00 0.38 4.81 0.12 -5.08 118.16 117.51 1nkh n LYS 99 Ca -0.41 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.02 1nkh n LYS 99 Cb 1.01 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.97 1nkh n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nkh n GLY 100 N 2.64 0.12 0.32 3.14 0.00 0.03 -4.56 105.19 106.87 1nkh n GLY 100 Ca -0.04 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.26 1nkh n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nkh h ILE 101 N 0.00 0.37 0.00 -0.61 6.09 -1.87 -2.23 117.51 119.26 1nkh h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nkh h ILE 101 Cb 0.00 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1nkh h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nkh n ASP 102 N -3.62 0.00 -0.12 2.19 10.43 -1.26 -1.24 116.55 122.92 1nkh n ASP 102 Ca -0.02 -0.53 -0.04 0.00 2.57 0.00 0.00 54.79 56.77 1nkh n ASP 102 Cb 0.15 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.27 1nkh n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nkh h TYR 103 N 0.00 0.86 -2.37 1.24 3.20 -1.68 -3.34 116.97 114.88 1nkh h TYR 103 Ca 0.00 -0.10 -0.64 0.00 3.14 0.00 0.00 58.73 61.13 1nkh h TYR 103 Cb 0.00 -0.24 -0.15 0.00 1.54 0.00 0.00 36.73 37.88 1nkh h TYR 103 CO 0.00 0.76 0.79 -1.58 -1.64 0.00 0.00 178.16 176.49 1nkh s TRP 104 N -5.10 2.78 0.62 -3.82 0.51 -0.37 -4.91 118.94 108.66 1nkh s TRP 104 Ca -0.10 -0.84 0.33 0.00 -2.12 0.00 0.00 56.10 53.37 1nkh s TRP 104 Cb 0.15 -4.36 1.83 0.00 -0.81 0.00 0.00 33.47 30.28 1nkh s TRP 104 CO 0.81 -1.66 2.13 0.87 -0.51 0.00 0.00 176.95 178.59 1nkh h LYS 105 N 9.38 0.00 0.00 4.98 1.57 -1.83 -2.34 116.57 128.33 1nkh h LYS 105 Ca -0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1nkh h LYS 105 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1nkh h LYS 105 CO 1.19 0.00 -0.27 0.00 -0.57 0.00 0.00 179.45 179.80 1nkh h ALA 106 N 1.73 1.03 0.41 3.86 0.00 -1.92 -3.36 119.26 121.01 1nkh h ALA 106 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nkh h ALA 106 Cb 0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1nkh h ALA 106 CO -0.00 0.34 -0.46 -0.92 0.00 0.00 0.00 179.25 178.21 1nkh h TYR 107 N 0.00 -1.28 0.45 0.00 3.20 -1.75 0.05 116.97 117.63 1nkh h TYR 107 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1nkh h TYR 107 Cb 0.78 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 1nkh h TYR 107 CO 0.00 -0.62 -0.38 0.87 -1.64 0.00 0.00 178.16 176.39 1nkh h LYS 108 N -0.90 -0.80 -0.54 1.82 1.57 -1.79 -1.43 116.57 114.50 1nkh h LYS 108 Ca -0.04 0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1nkh h LYS 108 Cb 0.80 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1nkh h LYS 108 CO -0.09 -0.53 -0.12 -1.00 -0.57 0.00 0.00 179.45 177.13 1nkh h PRO 109 N -0.83 1.02 0.00 3.15 0.13 -1.76 -3.34 132.00 130.38 1nkh h PRO 109 Ca -0.04 -0.38 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1nkh h PRO 109 Cb 0.72 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1nkh h PRO 109 CO -0.03 1.07 -1.99 -1.33 -0.23 0.00 0.00 178.00 175.49 1nkh n MET 110 N -4.14 0.65 -0.49 0.86 2.81 0.00 -4.61 117.12 112.20 1nkh n MET 110 Ca 0.01 -0.17 0.06 0.00 -1.81 0.00 0.00 57.70 55.79 1nkh n MET 110 Cb 0.41 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.61 1nkh n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkh n SER 112 N -1.19 0.90 -3.88 0.00 7.64 -1.23 -4.94 113.62 110.93 1nkh n SER 112 Ca 0.19 -0.70 -0.09 0.00 1.01 0.00 0.00 58.87 59.28 1nkh n SER 112 Cb 0.70 0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 64.17 1nkh n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nkh s GLU 113 N -2.76 1.65 -0.99 1.43 -1.05 -1.26 -4.99 118.70 110.73 1nkh s GLU 113 Ca 0.17 -1.24 -0.14 0.00 -0.15 0.00 0.00 54.97 53.61 1nkh s GLU 113 Cb 0.18 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1nkh s GLU 113 CO 0.64 -0.71 0.71 1.63 0.95 0.00 0.00 175.26 178.48 1nkh n LYS 114 N -0.42 -1.19 0.04 -4.83 5.02 -1.26 -4.90 118.16 110.62 1nkh n LYS 114 Ca -0.02 0.66 -0.01 0.00 -2.02 0.00 0.00 58.31 56.92 1nkh n LYS 114 Cb 0.61 -3.67 -0.08 0.00 -0.02 0.00 0.00 35.03 31.88 1nkh n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nkh h LEU 115 N -1.16 0.00 -2.15 -0.35 3.38 -1.94 -3.38 115.31 109.72 1nkh h LEU 115 Ca -0.55 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.47 1nkh h LEU 115 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1nkh h LEU 115 CO 0.42 0.63 0.18 -0.08 0.09 0.00 0.00 178.44 179.68 1nkh h GLU 116 N 0.00 0.00 0.00 1.13 4.57 -1.97 0.11 114.58 118.42 1nkh h GLU 116 Ca -0.15 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1nkh h GLU 116 Cb 1.61 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1nkh h GLU 116 CO 0.05 0.00 -0.09 -0.56 -1.18 0.00 0.00 179.01 177.24 1nkh h GLN 117 N 0.00 0.00 0.00 1.92 3.07 -1.98 -2.58 115.11 115.54 1nkh h GLN 117 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1nkh h GLN 117 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1nkh h GLN 117 CO -0.00 0.09 -0.22 0.91 0.09 0.00 0.00 178.83 179.69 1nkh n TRP 118 N -3.40 0.01 -2.19 0.06 7.02 0.39 -4.86 117.44 114.47 1nkh n TRP 118 Ca -0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.06 1nkh n TRP 118 Cb 0.25 -0.39 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 1nkh n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nkh s ARG 119 N -3.00 4.41 -0.02 -0.99 3.52 -0.97 -4.81 118.95 117.08 1nkh s ARG 119 Ca 0.13 2.13 -0.01 0.00 -0.13 0.00 0.00 55.73 57.84 1nkh s ARG 119 Cb 0.18 -3.11 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1nkh s ARG 119 CO 0.61 -0.13 -0.02 0.00 -0.81 0.00 0.00 175.30 174.94 1nkh s GLU 121 N -1.18 1.10 -0.46 0.00 0.41 -1.26 -5.05 118.70 112.26 1nkh s GLU 121 Ca -0.02 -1.28 -0.44 0.00 -0.41 0.00 0.00 54.97 52.83 1nkh s GLU 121 Cb 0.00 0.33 -0.18 0.00 -1.78 0.00 0.00 34.13 32.50 1nkh s GLU 121 CO 0.02 -0.38 1.90 1.63 -0.49 0.00 0.00 175.26 177.94 1nkh n LYS 122 N -0.18 0.25 0.00 1.61 4.76 -1.26 -5.13 118.16 118.21 1nkh n LYS 122 Ca -0.06 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1nkh n LYS 122 Cb 0.63 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1nkh n LYS 122 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73