#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nki s LEU 2 N 0.00 3.71 -0.00 4.03 1.43 -1.26 -4.98 118.68 121.61 1nki s LEU 2 Ca 0.00 1.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 1nki s LEU 2 Cb 0.00 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 1nki s LEU 2 CO 0.00 -0.82 0.29 0.35 0.23 0.00 0.00 176.35 176.40 1nki n THR 3 N -1.35 0.00 -0.79 5.49 -2.24 -1.26 -5.11 114.28 109.02 1nki n THR 3 Ca 0.08 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nki n THR 3 Cb 0.53 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1nki n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nki n GLY 4 N 1.51 0.65 3.73 3.38 0.00 -1.26 -5.08 105.19 108.12 1nki n GLY 4 Ca 0.00 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1nki n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nki s LEU 5 N 0.00 4.38 -0.24 0.99 2.96 -1.26 -4.96 118.68 120.55 1nki s LEU 5 Ca 0.00 1.38 -0.15 0.00 -0.22 0.00 0.00 54.13 55.15 1nki s LEU 5 Cb 0.00 -3.23 -0.16 0.00 0.50 0.00 0.00 46.19 43.29 1nki s LEU 5 CO 0.00 -0.09 -0.09 -3.20 -1.32 0.00 0.00 176.35 171.65 1nki n ASN 6 N 3.41 1.94 -3.45 3.68 2.85 -1.26 -5.00 115.26 117.43 1nki n ASN 6 Ca -0.00 0.32 -0.12 0.00 -0.11 0.00 0.00 54.58 54.66 1nki n ASN 6 Cb 0.51 -0.84 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 1nki n ASN 6 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1nki s HIS 7 N -2.46 -0.51 -0.17 1.20 -3.43 -1.26 -4.38 115.29 104.28 1nki s HIS 7 Ca -0.34 0.40 -0.01 0.00 -0.80 0.00 0.00 55.06 54.31 1nki s HIS 7 Cb 0.11 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.78 1nki s HIS 7 CO 0.56 -0.75 -0.11 -1.17 -2.00 0.00 0.00 174.74 171.27 1nki s LEU 8 N -2.49 2.72 -0.14 5.38 2.96 -0.48 -5.03 118.68 121.59 1nki s LEU 8 Ca 0.00 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1nki s LEU 8 Cb -0.01 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 1nki s LEU 8 CO -0.09 0.08 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.95 1nki s THR 9 N 0.85 2.51 -0.11 3.68 2.01 -1.26 -0.73 115.64 122.59 1nki s THR 9 Ca -0.03 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1nki s THR 9 Cb -0.15 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1nki s THR 9 CO 0.00 0.53 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.57 1nki s LEU 10 N 0.65 2.68 0.25 4.42 1.43 -0.09 -4.98 118.68 123.04 1nki s LEU 10 Ca -0.09 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1nki s LEU 10 Cb -0.16 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 1nki s LEU 10 CO 0.02 0.19 1.25 0.00 0.23 0.00 0.00 176.35 178.05 1nki s ALA 11 N 0.17 3.48 -0.02 4.21 0.00 -1.26 -0.99 121.76 127.36 1nki s ALA 11 Ca -0.08 1.09 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1nki s ALA 11 Cb -0.15 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1nki s ALA 11 CO 0.05 -0.47 -0.04 0.14 0.00 0.00 0.00 175.76 175.44 1nki s VAL 12 N -0.50 0.37 0.10 0.00 -7.23 -0.23 -4.87 120.40 108.04 1nki s VAL 12 Ca 0.52 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 1nki s VAL 12 Cb -0.36 -0.36 -0.24 0.00 0.56 0.00 0.00 36.38 35.97 1nki s VAL 12 CO 0.43 0.14 1.20 0.00 -0.31 0.00 0.00 175.10 176.56 1nki h ALA 13 N 6.52 0.24 -3.16 1.32 0.00 -1.81 0.14 119.26 122.50 1nki h ALA 13 Ca -0.33 -0.91 -0.62 0.00 0.00 0.00 0.00 54.91 53.05 1nki h ALA 13 Cb 1.17 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 1nki h ALA 13 CO 0.49 1.13 -0.70 0.34 0.00 0.00 0.00 179.25 180.51 1nki s ASP 14 N -6.90 3.94 0.11 0.00 -1.08 -1.26 -4.25 116.67 107.22 1nki s ASP 14 Ca -0.01 -2.72 -0.21 0.00 -0.52 0.00 0.00 52.55 49.09 1nki s ASP 14 Cb 0.09 -1.27 -0.10 0.00 -1.46 0.00 0.00 42.92 40.18 1nki s ASP 14 CO 0.85 -0.26 1.74 0.25 0.52 0.00 0.00 175.17 178.27 1nki h LEU 15 N 6.72 0.16 -0.75 -1.34 5.85 -1.98 -0.96 115.31 123.01 1nki h LEU 15 Ca -0.04 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1nki h LEU 15 Cb 0.92 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1nki h LEU 15 CO 0.56 0.14 0.42 -0.65 -0.34 0.00 0.00 178.44 178.57 1nki h PRO 16 N 0.16 0.72 -0.57 5.25 0.11 -1.99 0.43 132.00 136.11 1nki h PRO 16 Ca 0.05 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1nki h PRO 16 Cb 0.01 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 1nki h PRO 16 CO -0.01 0.48 0.14 0.00 -0.21 0.00 0.00 178.00 178.40 1nki h ALA 17 N 1.40 0.75 -0.36 -0.75 0.00 -1.91 -1.75 119.26 116.63 1nki h ALA 17 Ca 0.35 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1nki h ALA 17 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nki h ALA 17 CO -0.21 0.45 -0.34 0.77 0.00 0.00 0.00 179.25 179.91 1nki h SER 18 N 0.81 0.93 -0.32 0.00 0.02 -0.74 -1.39 113.55 112.86 1nki h SER 18 Ca 0.18 -0.46 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1nki h SER 18 Cb 0.34 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1nki h SER 18 CO 0.00 1.20 0.16 0.40 -1.14 0.00 0.00 176.83 177.45 1nki h ILE 19 N 0.67 1.00 -0.89 3.27 2.04 -0.82 -1.04 117.51 121.73 1nki h ILE 19 Ca 0.06 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1nki h ILE 19 Cb 0.93 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1nki h ILE 19 CO 0.09 0.06 0.58 0.00 0.00 0.00 0.00 178.15 178.88 1nki h ALA 20 N 1.16 1.13 0.83 1.87 0.00 -1.20 0.92 119.26 123.97 1nki h ALA 20 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nki h ALA 20 Cb 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1nki h ALA 20 CO -0.09 0.55 -0.41 0.35 0.00 0.00 0.00 179.25 179.65 1nki h PHE 21 N 1.22 -1.07 -0.59 0.00 3.57 -0.90 0.60 116.94 119.77 1nki h PHE 21 Ca 0.33 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.70 1nki h PHE 21 Cb -0.12 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1nki h PHE 21 CO -0.01 -0.66 -0.04 1.88 -2.23 0.00 0.00 178.31 177.26 1nki h TYR 22 N -1.13 1.17 0.24 0.41 -1.99 -1.08 -1.08 116.97 113.51 1nki h TYR 22 Ca -0.11 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.39 1nki h TYR 22 Cb 0.87 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1nki h TYR 22 CO -0.03 1.05 -0.12 -0.09 -0.00 0.00 0.00 178.16 178.97 1nki h ARG 23 N 0.96 -0.32 0.11 4.88 2.43 -0.86 -0.51 114.38 121.08 1nki h ARG 23 Ca 0.16 0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 59.01 1nki h ARG 23 Cb 0.61 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1nki h ARG 23 CO 0.04 0.05 -1.87 -0.44 -1.51 0.00 0.00 179.97 176.23 1nki h ASP 24 N -0.87 0.38 0.57 -3.80 3.32 -0.95 -2.06 116.42 113.01 1nki h ASP 24 Ca -0.03 -0.76 -0.27 0.00 0.02 0.00 0.00 57.03 55.99 1nki h ASP 24 Cb 0.51 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1nki h ASP 24 CO 0.06 1.67 -1.61 0.25 -1.72 0.00 0.00 179.24 177.89 1nki h LEU 25 N 0.07 0.00 -0.38 1.55 5.85 -1.18 -3.38 115.31 117.83 1nki h LEU 25 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1nki h LEU 25 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1nki h LEU 25 CO 0.11 0.95 -0.40 0.18 -0.34 0.00 0.00 178.44 178.94 1nki n LEU 26 N -3.05 0.92 0.00 2.25 4.77 -0.80 -5.01 117.00 116.08 1nki n LEU 26 Ca -0.14 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1nki n LEU 26 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1nki n LEU 26 CO 0.45 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nki n GLY 27 N 1.13 0.45 3.76 -0.72 0.00 -0.78 -4.96 105.19 104.07 1nki n GLY 27 Ca 0.03 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1nki n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nki s PHE 28 N -2.00 2.43 -0.18 1.61 0.40 -0.26 -4.92 117.98 115.06 1nki s PHE 28 Ca 0.00 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.66 1nki s PHE 28 Cb 0.00 -3.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.00 1nki s PHE 28 CO 0.00 -2.20 0.48 0.50 0.70 0.00 0.00 175.22 174.70 1nki s ARG 29 N -3.24 4.23 -0.32 0.44 3.52 -0.02 -4.30 118.95 119.26 1nki s ARG 29 Ca 0.76 0.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.44 1nki s ARG 29 Cb -0.31 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1nki s ARG 29 CO 0.34 -0.03 1.29 -1.17 -0.81 0.00 0.00 175.30 174.92 1nki s LEU 30 N 1.26 3.85 -0.16 -0.88 2.96 -1.26 -1.08 118.68 123.35 1nki s LEU 30 Ca 0.23 1.13 0.14 0.00 -0.22 0.00 0.00 54.13 55.41 1nki s LEU 30 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1nki s LEU 30 CO 0.09 -1.11 0.20 -0.62 -1.32 0.00 0.00 176.35 173.60 1nki n GLU 31 N 7.38 0.67 -3.50 1.98 -0.58 0.13 -4.99 120.64 121.72 1nki n GLU 31 Ca 0.15 0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.82 1nki n GLU 31 Cb 0.47 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 1nki n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nki s ALA 32 N -2.52 -1.74 -0.01 0.62 0.00 -0.95 -4.98 121.76 112.18 1nki s ALA 32 Ca -0.12 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1nki s ALA 32 Cb 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 1nki s ALA 32 CO 0.80 -0.44 0.05 0.50 0.00 0.00 0.00 175.76 176.68 1nki s ARG 33 N -1.63 0.24 0.34 0.00 3.52 -1.26 -0.91 118.95 119.25 1nki s ARG 33 Ca -0.09 -0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 1nki s ARG 33 Cb -0.00 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1nki s ARG 33 CO 0.06 -0.05 0.46 1.67 -0.81 0.00 0.00 175.30 176.64 1nki s TRP 34 N -0.74 1.13 0.58 5.12 -2.14 -0.09 -4.98 118.94 117.82 1nki s TRP 34 Ca -0.08 -1.33 0.28 0.00 2.66 0.00 0.00 56.10 57.62 1nki s TRP 34 Cb -0.05 -0.14 1.73 0.00 -3.10 0.00 0.00 33.47 31.91 1nki s TRP 34 CO 0.00 -1.12 2.22 -0.44 -2.66 0.00 0.00 176.95 174.95 1nki h ASP 35 N 2.11 0.00 -0.01 -2.66 3.32 -2.03 -2.76 116.42 114.39 1nki h ASP 35 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1nki h ASP 35 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1nki h ASP 35 CO 0.38 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 1nki n GLN 36 N -3.94 2.23 -3.16 3.56 1.13 -1.26 -4.97 117.38 110.97 1nki n GLN 36 Ca -0.02 -2.01 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 1nki n GLN 36 Cb 0.11 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1nki n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nki n GLY 37 N -0.90 -1.31 3.36 1.08 0.00 -1.04 -1.18 105.19 105.20 1nki n GLY 37 Ca 0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1nki n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nki s ALA 38 N -1.39 -1.16 -0.14 4.61 0.00 -0.46 -0.92 121.76 122.31 1nki s ALA 38 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1nki s ALA 38 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1nki s ALA 38 CO 0.00 -0.45 -0.16 0.71 0.00 0.00 0.00 175.76 175.86 1nki s TYR 39 N -2.23 2.75 0.18 0.00 4.12 -0.09 -0.86 117.35 121.21 1nki s TYR 39 Ca -0.07 -0.92 0.05 0.00 0.02 0.00 0.00 57.07 56.15 1nki s TYR 39 Cb -0.01 -1.84 -0.05 0.00 -1.52 0.00 0.00 41.96 38.54 1nki s TYR 39 CO -0.00 -0.38 -0.09 -0.51 0.02 0.00 0.00 175.55 174.58 1nki s LEU 40 N 0.57 2.48 -0.01 -1.29 1.02 0.08 -0.70 118.68 120.84 1nki s LEU 40 Ca -0.10 -1.06 0.01 0.00 0.02 0.00 0.00 54.13 53.00 1nki s LEU 40 Cb -0.16 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.64 1nki s LEU 40 CO 0.04 -0.33 -0.02 -0.70 0.02 0.00 0.00 176.35 175.36 1nki s GLU 41 N -3.75 0.22 -0.19 1.70 2.12 -0.24 -0.94 118.70 117.61 1nki s GLU 41 Ca 0.20 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 1nki s GLU 41 Cb 0.02 -0.25 0.06 0.00 0.26 0.00 0.00 34.13 34.22 1nki s GLU 41 CO 0.04 0.01 0.04 -1.17 -0.54 0.00 0.00 175.26 173.64 1nki s LEU 42 N 0.17 1.09 0.00 2.70 2.96 -0.46 -0.84 118.68 124.30 1nki s LEU 42 Ca -0.01 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1nki s LEU 42 Cb -0.04 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.10 1nki s LEU 42 CO -0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1nki n GLY 43 N 5.08 3.43 0.17 7.98 0.00 -1.26 -0.84 105.19 119.74 1nki n GLY 43 Ca -0.09 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1nki n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nki n SER 44 N 5.00 0.72 -4.68 1.61 7.64 -1.26 -4.90 113.62 117.75 1nki n SER 44 Ca 0.00 -0.69 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 1nki n SER 44 Cb 0.00 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1nki n SER 44 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1nki s LEU 45 N -2.51 4.22 -0.35 -3.43 2.96 -0.02 -5.01 118.68 114.54 1nki s LEU 45 Ca 0.26 1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 55.59 1nki s LEU 45 Cb 0.20 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 1nki s LEU 45 CO 0.50 -0.56 0.42 0.86 -1.32 0.00 0.00 176.35 176.26 1nki s TRP 46 N 2.45 3.20 -0.17 5.38 -0.00 -1.26 -1.36 118.94 127.18 1nki s TRP 46 Ca 0.50 0.05 -0.07 0.00 -0.00 0.00 0.00 56.10 56.58 1nki s TRP 46 Cb -0.19 -2.77 -0.04 0.00 -0.00 0.00 0.00 33.47 30.47 1nki s TRP 46 CO 0.16 -0.48 0.04 -1.17 -0.00 0.00 0.00 176.95 175.51 1nki s LEU 47 N 2.16 3.71 -0.09 5.86 2.96 -0.12 -1.39 118.68 131.77 1nki s LEU 47 Ca 0.14 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1nki s LEU 47 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1nki s LEU 47 CO 0.12 0.18 -0.12 0.00 -1.32 0.00 0.00 176.35 175.22 1nki s LEU 49 N -0.19 3.51 -0.24 0.00 1.43 -0.04 -0.91 118.68 122.24 1nki s LEU 49 Ca 0.01 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1nki s LEU 49 Cb -0.13 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1nki s LEU 49 CO 0.03 0.12 -0.09 -0.55 0.23 0.00 0.00 176.35 176.09 1nki s SER 50 N 0.68 4.14 0.01 2.29 0.15 -0.16 -1.35 113.70 119.46 1nki s SER 50 Ca 0.01 -0.90 -0.30 0.00 0.70 0.00 0.00 55.95 55.46 1nki s SER 50 Cb -0.14 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 1nki s SER 50 CO 0.02 -0.11 1.37 -0.60 1.20 0.00 0.00 173.24 175.11 1nki s ARG 51 N 1.29 4.30 -0.40 5.44 3.52 -0.32 -1.06 118.95 131.72 1nki s ARG 51 Ca -0.00 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.56 1nki s ARG 51 Cb -0.16 -3.54 0.16 0.00 -1.56 0.00 0.00 34.95 29.85 1nki s ARG 51 CO -0.06 -0.54 0.30 -1.21 -0.81 0.00 0.00 175.30 172.99 1nki s GLU 52 N 2.22 0.82 0.60 5.12 2.02 0.47 -4.88 118.70 125.07 1nki s GLU 52 Ca 0.63 -1.90 0.30 0.00 0.02 0.00 0.00 54.97 54.02 1nki s GLU 52 Cb -0.31 -1.41 1.71 0.00 0.10 0.00 0.00 34.13 34.23 1nki s GLU 52 CO 0.26 -1.34 2.10 -1.35 0.02 0.00 0.00 175.26 174.96 1nki h PRO 53 N 6.03 0.00 -0.22 0.39 0.11 -1.76 -0.47 132.00 136.08 1nki h PRO 53 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1nki h PRO 53 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1nki h PRO 53 CO 0.34 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.17 1nki n GLN 54 N -3.67 1.91 -1.88 1.05 1.13 -1.26 -4.81 117.38 109.84 1nki n GLN 54 Ca 0.01 -1.37 -0.42 0.00 -1.94 0.00 0.00 57.00 53.28 1nki n GLN 54 Cb 0.32 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 1nki n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1nki s TYR 55 N -1.72 2.93 -2.01 1.08 5.04 -0.18 -4.91 117.35 117.57 1nki s TYR 55 Ca 0.33 0.77 0.18 0.00 -2.44 0.00 0.00 57.07 55.91 1nki s TYR 55 Cb 0.18 -3.96 0.31 0.00 0.35 0.00 0.00 41.96 38.84 1nki s TYR 55 CO 0.27 -3.34 1.24 0.41 -1.34 0.00 0.00 175.55 172.79 1nki n GLY 56 N 2.79 1.39 0.00 8.97 0.00 -1.26 -4.59 105.19 112.48 1nki n GLY 56 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1nki n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nki n GLY 57 N 1.13 -0.94 3.82 -0.02 0.00 -1.25 -4.92 105.19 103.01 1nki n GLY 57 Ca 0.15 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1nki n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nki s PRO 58 N -2.08 2.88 0.99 1.61 0.04 -1.26 -5.06 135.00 132.12 1nki s PRO 58 Ca 0.00 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.76 1nki s PRO 58 Cb 0.00 -1.99 0.20 0.00 0.04 0.00 0.00 34.50 32.75 1nki s PRO 58 CO 0.00 -1.12 1.24 0.00 0.04 0.00 0.00 177.00 177.16 1nki s ALA 59 N -3.08 1.89 -0.45 8.56 0.00 -1.26 -4.98 121.76 122.44 1nki s ALA 59 Ca 0.58 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 1nki s ALA 59 Cb -0.14 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1nki s ALA 59 CO 0.55 -2.57 0.99 0.00 0.00 0.00 0.00 175.76 174.73 1nki s ALA 60 N -3.60 3.24 0.39 0.00 0.00 -1.26 -4.94 121.76 115.59 1nki s ALA 60 Ca 0.71 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1nki s ALA 60 Cb -0.07 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.40 1nki s ALA 60 CO 0.53 -2.04 0.78 0.16 0.00 0.00 0.00 175.76 175.19 1nki s ASP 61 N 2.25 0.08 0.00 0.00 1.47 -1.26 -5.06 116.67 114.16 1nki s ASP 61 Ca 0.40 -1.21 0.23 0.00 1.18 0.00 0.00 52.55 53.16 1nki s ASP 61 Cb -0.10 0.86 0.90 0.00 -0.34 0.00 0.00 42.92 44.24 1nki s ASP 61 CO 0.27 -1.70 1.64 0.00 0.68 0.00 0.00 175.17 176.05 1nki n TYR 62 N -0.54 0.13 -1.82 2.11 9.36 -1.26 -4.91 117.16 120.23 1nki n TYR 62 Ca -0.08 -0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.66 1nki n TYR 62 Cb 0.60 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.28 1nki n TYR 62 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1nki s THR 63 N -1.87 2.28 0.21 2.97 2.01 -1.26 -4.96 115.64 115.01 1nki s THR 63 Ca 0.34 0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1nki s THR 63 Cb 0.19 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.61 1nki s THR 63 CO 0.29 0.02 0.73 -1.38 -0.69 0.00 0.00 174.62 173.59 1nki s HIS 64 N 0.93 -0.30 -0.16 4.92 -3.43 -1.26 -4.55 115.29 111.45 1nki s HIS 64 Ca 0.71 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 1nki s HIS 64 Cb -0.47 0.64 0.03 0.00 -1.43 0.00 0.00 32.58 31.35 1nki s HIS 64 CO 0.35 -1.02 -0.14 0.71 -2.00 0.00 0.00 174.74 172.64 1nki s TYR 65 N -3.73 2.21 -0.14 0.38 1.51 -0.36 -5.01 117.35 112.21 1nki s TYR 65 Ca 0.08 -1.28 -0.04 0.00 -1.01 0.00 0.00 57.07 54.82 1nki s TYR 65 Cb -0.04 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1nki s TYR 65 CO -0.01 -0.68 -0.02 0.00 -1.11 0.00 0.00 175.55 173.73 1nki s ALA 66 N 1.47 3.10 0.00 3.71 0.00 -1.26 -1.36 121.76 127.43 1nki s ALA 66 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1nki s ALA 66 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1nki s ALA 66 CO -0.10 0.30 0.08 -0.06 0.00 0.00 0.00 175.76 175.98 1nki s PHE 67 N 0.07 3.28 0.52 0.00 0.40 0.82 -4.94 117.98 118.12 1nki s PHE 67 Ca 0.01 0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 1nki s PHE 67 Cb -0.13 -1.73 -0.07 0.00 0.51 0.00 0.00 43.02 41.60 1nki s PHE 67 CO 0.02 0.55 0.96 0.20 0.70 0.00 0.00 175.22 177.65 1nki s GLY 68 N -1.81 1.93 -0.10 4.36 0.00 -1.26 -0.88 107.32 109.56 1nki s GLY 68 Ca 0.24 0.04 -0.20 0.00 0.00 0.00 0.00 44.72 44.79 1nki s GLY 68 CO 0.15 0.30 0.49 -1.50 0.00 0.00 0.00 173.10 172.54 1nki s ILE 69 N -2.72 0.02 0.49 0.90 2.07 -0.79 -4.76 121.20 116.40 1nki s ILE 69 Ca 0.56 -0.15 -0.20 0.00 -1.41 0.00 0.00 60.65 59.45 1nki s ILE 69 Cb -0.10 -0.76 -0.08 0.00 0.13 0.00 0.00 42.46 41.65 1nki s ILE 69 CO 0.37 -0.08 1.04 0.00 -1.91 0.00 0.00 174.94 174.36 1nki s ALA 70 N -0.62 2.87 0.24 1.50 0.00 -1.26 -4.03 121.76 120.45 1nki s ALA 70 Ca -0.07 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.41 1nki s ALA 70 Cb -0.03 -3.25 0.39 0.00 0.00 0.00 0.00 23.12 20.23 1nki s ALA 70 CO 0.04 -0.32 1.64 0.00 0.00 0.00 0.00 175.76 177.13 1nki h ALA 71 N 1.55 0.72 0.00 0.00 0.00 -1.97 -1.14 119.26 118.42 1nki h ALA 71 Ca -0.49 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nki h ALA 71 Cb 1.22 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1nki h ALA 71 CO 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1nki h ALA 72 N 1.68 1.00 0.00 0.00 0.00 -2.05 -2.56 119.26 117.32 1nki h ALA 72 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1nki h ALA 72 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nki h ALA 72 CO -0.64 0.00 -0.85 -0.25 0.00 0.00 0.00 179.25 177.51 1nki n ASP 73 N -2.77 0.64 0.11 0.00 8.00 -0.46 -4.64 116.55 117.43 1nki n ASP 73 Ca 0.02 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 1nki n ASP 73 Cb 0.30 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 41.95 1nki n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1nki h PHE 74 N 0.00 -0.19 -0.78 1.24 3.57 -1.09 -2.02 116.94 117.66 1nki h PHE 74 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1nki h PHE 74 Cb 0.63 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1nki h PHE 74 CO 0.00 -0.06 0.51 0.00 -2.23 0.00 0.00 178.31 176.53 1nki h ALA 75 N 0.55 1.00 -0.76 2.41 0.00 -1.82 -1.21 119.26 119.43 1nki h ALA 75 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nki h ALA 75 Cb 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nki h ALA 75 CO 0.04 0.37 0.34 0.00 0.00 0.00 0.00 179.25 180.00 1nki h ARG 76 N 1.03 1.11 -0.04 0.00 3.08 -1.83 -0.99 114.38 116.74 1nki h ARG 76 Ca 0.29 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1nki h ARG 76 Cb -0.08 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1nki h ARG 76 CO -0.08 0.88 0.02 0.35 -1.07 0.00 0.00 179.97 180.08 1nki h PHE 77 N 1.08 0.06 -0.30 3.04 3.57 -0.72 0.42 116.94 124.09 1nki h PHE 77 Ca 0.26 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1nki h PHE 77 Cb 0.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1nki h PHE 77 CO 0.01 0.17 0.15 0.00 -2.23 0.00 0.00 178.31 176.41 1nki h ALA 78 N 0.89 0.36 -0.73 2.41 0.00 -1.14 -1.18 119.26 119.87 1nki h ALA 78 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nki h ALA 78 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1nki h ALA 78 CO -0.00 -0.24 0.38 0.00 0.00 0.00 0.00 179.25 179.39 1nki h ALA 79 N 1.15 0.94 -0.28 0.00 0.00 -1.06 -0.63 119.26 119.39 1nki h ALA 79 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nki h ALA 79 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nki h ALA 79 CO -0.09 0.47 0.14 0.37 0.00 0.00 0.00 179.25 180.14 1nki h GLN 80 N 1.01 0.40 -0.29 0.00 4.15 -0.52 -0.63 115.11 119.24 1nki h GLN 80 Ca 0.26 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.47 1nki h GLN 80 Cb 0.07 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1nki h GLN 80 CO -0.04 0.38 -0.41 -0.07 -1.93 0.00 0.00 178.83 176.75 1nki h LEU 81 N 0.32 0.75 -0.70 -2.39 4.07 -1.09 -1.83 115.31 114.45 1nki h LEU 81 Ca 0.10 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.76 1nki h LEU 81 Cb 0.10 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.58 1nki h LEU 81 CO -0.01 1.06 0.42 0.03 -1.08 0.00 0.00 178.44 178.86 1nki h ARG 82 N 0.57 0.77 0.00 1.13 3.08 -1.00 -2.08 114.38 116.85 1nki h ARG 82 Ca 0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1nki h ARG 82 Cb 0.95 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1nki h ARG 82 CO 0.09 0.51 -0.26 0.00 -1.07 0.00 0.00 179.97 179.24 1nki h ALA 83 N 1.33 1.17 0.00 0.04 0.00 -0.78 -1.47 119.26 119.55 1nki h ALA 83 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nki h ALA 83 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nki h ALA 83 CO -0.14 0.33 0.00 0.72 0.00 0.00 0.00 179.25 180.15 1nki n HIS 84 N -3.65 0.00 -0.47 0.00 8.25 -0.72 -4.93 115.22 113.71 1nki n HIS 84 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1nki n HIS 84 Cb 0.39 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1nki n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nki n GLY 85 N 1.18 0.75 3.75 -1.41 0.00 -0.55 -5.04 105.19 103.88 1nki n GLY 85 Ca 0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1nki n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nki s VAL 86 N -2.00 3.15 0.07 1.61 1.01 -0.83 -5.00 120.40 118.42 1nki s VAL 86 Ca 0.00 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.81 1nki s VAL 86 Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1nki s VAL 86 CO 0.00 0.21 0.69 -0.60 0.00 0.00 0.00 175.10 175.41 1nki s ARG 87 N -0.99 4.42 0.13 2.72 3.52 -1.26 -4.68 118.95 122.81 1nki s ARG 87 Ca 0.51 0.95 -0.02 0.00 -0.13 0.00 0.00 55.73 57.04 1nki s ARG 87 Cb -0.36 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 1nki s ARG 87 CO 0.43 0.43 0.33 -1.21 -0.81 0.00 0.00 175.30 174.47 1nki s GLU 88 N -0.53 3.53 0.00 5.12 2.02 -1.26 -1.14 118.70 126.44 1nki s GLU 88 Ca 0.34 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1nki s GLU 88 Cb -0.20 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1nki s GLU 88 CO 0.22 0.50 0.23 -2.67 0.02 0.00 0.00 175.26 173.55 1nki n TRP 89 N -0.06 0.00 -3.62 1.61 4.27 -0.70 -4.90 117.44 114.04 1nki n TRP 89 Ca -0.04 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.44 1nki n TRP 89 Cb 0.52 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.40 1nki n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1nki s LYS 90 N -0.50 0.77 -0.09 -2.67 2.20 -1.25 -5.06 119.74 113.14 1nki s LYS 90 Ca 0.00 0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 56.22 1nki s LYS 90 Cb 0.00 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1nki s LYS 90 CO 0.00 -0.12 0.49 -1.14 -0.36 0.00 0.00 175.35 174.22 1nki s GLN 91 N 0.13 4.28 0.31 4.03 0.74 -1.26 -4.18 119.66 123.72 1nki s GLN 91 Ca -0.00 0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.60 1nki s GLN 91 Cb -0.04 -3.39 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 1nki s GLN 91 CO 0.00 0.26 1.58 -1.71 -0.55 0.00 0.00 175.29 174.87 1nki n ASN 92 N 3.28 3.89 0.00 6.67 5.15 -1.26 -4.90 115.26 128.09 1nki n ASN 92 Ca -0.08 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1nki n ASN 92 Cb 0.52 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 1nki n ASN 92 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nki n ARG 93 N 1.80 2.40 -2.49 1.20 1.74 -1.26 -5.05 116.66 114.99 1nki n ARG 93 Ca 0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 1nki n ARG 93 Cb 0.37 -0.75 0.05 0.00 -1.02 0.00 0.00 32.46 31.11 1nki n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nki s SER 94 N -1.61 5.15 0.37 0.55 1.04 -1.26 -5.01 113.70 112.93 1nki s SER 94 Ca 0.00 0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.36 1nki s SER 94 Cb 0.00 -1.01 -0.12 0.00 0.10 0.00 0.00 66.02 64.99 1nki s SER 94 CO 0.00 -1.28 1.15 1.21 0.98 0.00 0.00 173.24 175.30 1nki n GLU 95 N -2.54 1.71 0.00 4.02 0.00 -1.26 -4.70 120.64 117.87 1nki n GLU 95 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.84 1nki n GLU 95 Cb 0.60 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.88 1nki n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nki n GLY 96 N 0.99 -2.47 3.64 8.31 0.00 -1.26 -4.91 105.19 109.48 1nki n GLY 96 Ca 0.07 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.51 1nki n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nki n ASP 97 N -0.68 2.13 -3.81 1.61 8.00 -1.25 -4.72 116.55 117.81 1nki n ASP 97 Ca 0.00 1.16 -0.12 0.00 0.71 0.00 0.00 54.79 56.54 1nki n ASP 97 Cb 0.00 -1.36 -0.11 0.00 -0.02 0.00 0.00 41.12 39.62 1nki n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nki s SER 98 N -0.09 -0.18 -0.17 -2.24 0.01 -1.26 -0.81 113.70 108.97 1nki s SER 98 Ca 0.64 0.30 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1nki s SER 98 Cb -0.69 0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1nki s SER 98 CO 0.55 -0.14 -0.19 0.12 0.41 0.00 0.00 173.24 173.99 1nki s PHE 99 N -0.22 2.63 -0.32 2.43 5.36 -0.31 -4.38 117.98 123.16 1nki s PHE 99 Ca -0.03 -1.54 -0.05 0.00 -0.96 0.00 0.00 56.93 54.34 1nki s PHE 99 Cb -0.03 -1.84 0.04 0.00 -0.34 0.00 0.00 43.02 40.85 1nki s PHE 99 CO 0.01 -0.77 0.08 0.71 -1.46 0.00 0.00 175.22 173.78 1nki s TYR 100 N 1.34 3.24 0.07 10.12 1.51 -1.26 -0.88 117.35 131.49 1nki s TYR 100 Ca 0.05 -1.47 0.01 0.00 -1.01 0.00 0.00 57.07 54.65 1nki s TYR 100 Cb -0.13 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1nki s TYR 100 CO -0.12 -0.73 -0.06 -0.59 -1.11 0.00 0.00 175.55 172.94 1nki s PHE 101 N 1.38 0.72 -0.04 2.71 -0.12 -0.33 -1.72 117.98 120.59 1nki s PHE 101 Ca -0.02 -0.87 -0.07 0.00 -0.05 0.00 0.00 56.93 55.92 1nki s PHE 101 Cb -0.19 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 1nki s PHE 101 CO 0.02 -0.20 0.23 -0.51 -0.05 0.00 0.00 175.22 174.70 1nki s LEU 102 N -2.70 4.39 0.89 -1.99 1.43 -0.30 -0.61 118.68 119.80 1nki s LEU 102 Ca 0.06 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1nki s LEU 102 Cb 0.03 -2.47 0.18 0.00 0.03 0.00 0.00 46.19 43.96 1nki s LEU 102 CO -0.05 0.31 1.23 1.51 0.23 0.00 0.00 176.35 179.58 1nki s ASP 103 N -1.48 3.47 0.56 2.29 -4.77 -0.39 -4.62 116.67 111.73 1nki s ASP 103 Ca 0.23 0.08 0.24 0.00 -3.30 0.00 0.00 52.55 49.80 1nki s ASP 103 Cb -0.13 -0.21 1.53 0.00 -1.09 0.00 0.00 42.92 43.02 1nki s ASP 103 CO 0.13 -2.48 2.15 -0.65 0.70 0.00 0.00 175.17 175.02 1nki h PRO 104 N -1.32 0.00 0.00 2.11 0.11 -1.93 -0.56 132.00 130.41 1nki h PRO 104 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1nki h PRO 104 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nki h PRO 104 CO 0.39 0.00 -0.57 -0.25 -0.21 0.00 0.00 178.00 177.36 1nki n ASP 105 N -4.16 0.55 0.00 -2.05 9.92 -1.26 -4.95 116.55 114.59 1nki n ASP 105 Ca -0.01 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1nki n ASP 105 Cb 0.20 0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1nki n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nki n GLY 106 N 1.46 0.87 3.77 0.44 0.00 -0.22 -3.83 105.19 107.69 1nki n GLY 106 Ca 0.05 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1nki n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nki n HIS 107 N -2.26 2.94 -3.18 1.61 8.25 -1.26 -4.58 115.22 116.74 1nki n HIS 107 Ca 0.00 0.45 -0.40 0.00 -0.26 0.00 0.00 57.72 57.51 1nki n HIS 107 Cb 0.00 -2.52 -0.07 0.00 1.12 0.00 0.00 29.99 28.52 1nki n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nki s ARG 108 N -2.12 4.13 0.33 -0.41 0.52 -1.26 -1.26 118.95 118.88 1nki s ARG 108 Ca 0.54 0.46 0.10 0.00 -0.52 0.00 0.00 55.73 56.30 1nki s ARG 108 Cb -0.48 -3.62 -0.06 0.00 0.52 0.00 0.00 34.95 31.31 1nki s ARG 108 CO 0.63 -0.32 -0.07 -0.51 0.02 0.00 0.00 175.30 175.06 1nki s LEU 109 N 2.19 2.83 -0.08 2.53 1.43 0.22 -1.23 118.68 126.57 1nki s LEU 109 Ca 0.24 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 1nki s LEU 109 Cb -0.16 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1nki s LEU 109 CO 0.09 -0.17 0.30 -0.70 0.23 0.00 0.00 176.35 176.11 1nki s GLU 110 N -3.64 0.46 -0.20 1.70 2.12 -0.46 -1.18 118.70 117.50 1nki s GLU 110 Ca 0.33 0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 1nki s GLU 110 Cb -0.00 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1nki s GLU 110 CO 0.17 -0.09 -0.05 0.00 -0.54 0.00 0.00 175.26 174.76 1nki s ALA 111 N -0.33 2.82 -0.03 6.30 0.00 -0.06 -0.13 121.76 130.34 1nki s ALA 111 Ca -0.05 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1nki s ALA 111 Cb -0.03 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 1nki s ALA 111 CO 0.02 -0.25 -0.14 -1.58 0.00 0.00 0.00 175.76 173.81 1nki s HIS 112 N 1.17 1.38 -0.31 0.00 5.04 -0.06 -1.16 115.29 121.34 1nki s HIS 112 Ca 0.02 -0.35 -0.15 0.00 -1.54 0.00 0.00 55.06 53.04 1nki s HIS 112 Cb -0.14 -0.93 -0.03 0.00 0.04 0.00 0.00 32.58 31.52 1nki s HIS 112 CO -0.01 -0.11 0.35 0.08 -2.34 0.00 0.00 174.74 172.71 1nki s VAL 113 N -0.00 5.19 -1.21 0.89 1.01 0.01 -1.88 120.40 124.41 1nki s VAL 113 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1nki s VAL 113 Cb -0.09 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1nki s VAL 113 CO 0.01 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1nki n GLY 114 N 4.87 0.75 1.42 4.51 0.00 -1.26 -3.95 105.19 111.53 1nki n GLY 114 Ca -0.09 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.65 1nki n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nki n ASP 115 N 0.72 -0.72 -0.22 1.61 5.68 -1.26 -4.95 116.55 117.42 1nki n ASP 115 Ca 0.00 -1.70 -0.04 0.00 -0.50 0.00 0.00 54.79 52.55 1nki n ASP 115 Cb 0.00 1.26 0.13 0.00 -1.14 0.00 0.00 41.12 41.36 1nki n ASP 115 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1nki h LEU 116 N 0.00 0.96 -0.68 -2.12 5.85 -2.01 -1.40 115.31 115.91 1nki h LEU 116 Ca -0.12 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1nki h LEU 116 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1nki h LEU 116 CO 0.16 0.87 0.13 0.03 -0.34 0.00 0.00 178.44 179.29 1nki h ARG 117 N 1.01 1.11 -0.12 1.25 2.47 -1.99 0.11 114.38 118.22 1nki h ARG 117 Ca 0.23 -0.29 -0.12 0.00 -1.26 0.00 0.00 59.98 58.54 1nki h ARG 117 Cb 0.22 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1nki h ARG 117 CO -0.02 1.01 -0.45 0.66 0.56 0.00 0.00 179.97 181.73 1nki h SER 118 N 1.04 0.31 -0.11 7.04 4.64 -1.89 -1.25 113.55 123.33 1nki h SER 118 Ca 0.21 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1nki h SER 118 Cb 0.42 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1nki h SER 118 CO 0.01 0.73 0.02 -0.09 -0.87 0.00 0.00 176.83 176.63 1nki h ARG 119 N 0.24 0.19 -0.61 4.77 9.65 -0.80 -1.95 114.38 125.87 1nki h ARG 119 Ca 0.02 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1nki h ARG 119 Cb 0.89 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 1nki h ARG 119 CO 0.07 0.38 0.27 -0.07 2.80 0.00 0.00 179.97 183.42 1nki h LEU 120 N -0.03 0.80 -0.65 3.80 3.38 -0.64 0.21 115.31 122.18 1nki h LEU 120 Ca 0.04 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1nki h LEU 120 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nki h LEU 120 CO 0.00 0.70 -0.11 0.00 0.09 0.00 0.00 178.44 179.12 1nki h ALA 121 N 1.42 0.85 -0.50 1.53 0.00 -1.08 0.12 119.26 121.60 1nki h ALA 121 Ca 0.21 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1nki h ALA 121 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nki h ALA 121 CO -0.02 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 1nki h ALA 122 N 1.02 0.69 -0.46 0.00 0.00 -0.95 -2.85 119.26 116.71 1nki h ALA 122 Ca 0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1nki h ALA 122 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1nki h ALA 122 CO 0.05 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1nki h ARG 124 N 0.71 1.12 0.00 0.00 2.47 -0.54 0.70 114.38 118.83 1nki h ARG 124 Ca 0.14 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.70 1nki h ARG 124 Cb 0.43 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1nki h ARG 124 CO 0.02 0.74 -0.45 1.96 0.56 0.00 0.00 179.97 182.80 1nki h GLN 125 N 1.16 0.00 -1.19 0.04 4.20 -1.25 -3.37 115.11 114.70 1nki h GLN 125 Ca 0.37 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.69 1nki h GLN 125 Cb 0.02 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 27.54 1nki h GLN 125 CO -0.11 0.45 -0.78 0.00 -0.67 0.00 0.00 178.83 177.71 1nki n ALA 126 N -2.22 0.48 -1.74 3.87 0.00 -0.66 -5.11 120.51 115.13 1nki n ALA 126 Ca 0.02 -2.29 -0.38 0.00 0.00 0.00 0.00 53.44 50.79 1nki n ALA 126 Cb 0.70 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 19.11 1nki n ALA 126 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nki s PRO 127 N -0.03 2.97 1.00 0.00 0.02 0.24 -4.50 135.00 134.70 1nki s PRO 127 Ca 0.33 2.21 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 1nki s PRO 127 Cb 0.15 -2.15 0.19 0.00 0.02 0.00 0.00 34.50 32.71 1nki s PRO 127 CO -0.16 -1.32 1.08 0.71 -0.33 0.00 0.00 177.00 176.98 1nki s TYR 128 N -1.32 2.01 0.04 6.54 4.12 -1.26 -4.85 117.35 122.64 1nki s TYR 128 Ca 0.75 1.13 -0.32 0.00 0.02 0.00 0.00 57.07 58.64 1nki s TYR 128 Cb -0.40 -3.21 -0.11 0.00 -1.52 0.00 0.00 41.96 36.72 1nki s TYR 128 CO 0.46 -2.94 1.85 0.00 0.02 0.00 0.00 175.55 174.95 1nki n ALA 129 N -4.24 1.56 -0.95 3.71 0.00 -1.26 -0.72 120.51 118.62 1nki n ALA 129 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1nki n ALA 129 Cb 0.56 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1nki n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nki n GLY 130 N 4.27 0.42 3.76 0.00 0.00 -1.26 -4.98 105.19 107.40 1nki n GLY 130 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1nki n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nki s MET 131 N -0.59 4.46 0.02 1.61 0.00 0.11 -5.03 119.30 119.88 1nki s MET 131 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 55.69 57.76 1nki s MET 131 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 34.83 31.68 1nki s MET 131 CO 0.00 -0.06 -0.09 1.03 0.00 0.00 0.00 175.02 175.90 1nki s ARG 132 N -1.38 0.63 0.42 4.11 0.52 -1.26 -4.90 118.95 117.09 1nki s ARG 132 Ca 0.49 -0.51 0.08 0.00 -0.52 0.00 0.00 55.73 55.27 1nki s ARG 132 Cb -0.36 -0.56 -0.00 0.00 0.52 0.00 0.00 34.95 34.55 1nki s ARG 132 CO 0.46 0.14 0.47 -0.06 0.02 0.00 0.00 175.30 176.34 1nki s PHE 133 N -0.67 2.72 -1.95 -0.53 0.40 -1.26 -5.16 117.98 111.53 1nki s PHE 133 Ca -0.01 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1nki s PHE 133 Cb -0.06 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.20 1nki s PHE 133 CO 0.00 -0.28 0.49 0.00 0.70 0.00 0.00 175.22 176.13