#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 4.00 -0.00 -0.89 1.43 -1.26 -4.99 118.68 116.97 1nki s LEU 2 Ca 0.00 1.03 0.12 0.00 -1.03 0.00 0.00 54.13 54.24 1nki s LEU 2 Cb 0.00 -3.85 -0.14 0.00 0.03 0.00 0.00 46.19 42.23 1nki s LEU 2 CO 0.00 -0.24 0.43 0.35 0.23 0.00 0.00 176.35 177.12 1nki n THR 3 N -0.76 0.00 0.00 5.49 -2.24 -1.26 -5.10 114.28 110.41 1nki n THR 3 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1nki n THR 3 Cb 0.53 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.40 0.95 3.70 3.38 0.00 -1.26 -5.06 105.19 108.30 1nki n GLY 4 Ca 0.01 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 4.32 -0.22 0.99 2.96 -1.26 -4.96 118.68 120.51 1nki s LEU 5 Ca 0.00 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.24 1nki s LEU 5 Cb 0.00 -3.41 -0.18 0.00 0.50 0.00 0.00 46.19 43.11 1nki s LEU 5 CO 0.00 -0.26 -0.01 -3.20 -1.32 0.00 0.00 176.35 171.56 1nki n ASN 6 N 4.16 1.95 -3.44 3.68 2.85 -1.26 -5.00 115.26 118.21 1nki n ASN 6 Ca 0.04 0.29 -0.12 0.00 -0.11 0.00 0.00 54.58 54.68 1nki n ASN 6 Cb 0.51 -0.83 -0.02 0.00 1.24 0.00 0.00 39.78 40.68 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 -0.52 -0.14 1.20 -3.43 -1.26 -4.37 115.29 104.30 1nki s HIS 7 Ca -0.32 0.30 0.01 0.00 -0.80 0.00 0.00 55.06 54.25 1nki s HIS 7 Cb 0.09 0.57 -0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1nki s HIS 7 CO 0.59 -0.86 -0.17 -1.17 -2.00 0.00 0.00 174.74 171.12 1nki s LEU 8 N -2.76 2.40 -0.13 5.38 2.96 -0.49 -5.03 118.68 121.02 1nki s LEU 8 Ca 0.01 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1nki s LEU 8 Cb -0.01 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1nki s LEU 8 CO -0.12 0.11 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.93 1nki s THR 9 N 0.63 2.31 -0.12 3.68 2.01 -1.26 -0.67 115.64 122.22 1nki s THR 9 Ca -0.09 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1nki s THR 9 Cb -0.16 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 1nki s THR 9 CO 0.03 0.54 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.59 1nki s LEU 10 N 0.57 2.59 0.24 4.42 1.43 -0.04 -4.98 118.68 122.91 1nki s LEU 10 Ca -0.12 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1nki s LEU 10 Cb -0.16 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 1nki s LEU 10 CO 0.04 0.17 1.30 0.00 0.23 0.00 0.00 176.35 178.08 1nki s ALA 11 N 0.34 3.52 -0.02 4.21 0.00 -1.26 -1.02 121.76 127.52 1nki s ALA 11 Ca -0.12 1.14 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1nki s ALA 11 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1nki s ALA 11 CO 0.06 -0.54 -0.05 0.14 0.00 0.00 0.00 175.76 175.38 1nki s VAL 12 N -0.27 0.45 0.09 0.00 -7.23 -0.33 -4.88 120.40 108.22 1nki s VAL 12 Ca 0.54 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1nki s VAL 12 Cb -0.37 -0.42 -0.25 0.00 0.56 0.00 0.00 36.38 35.90 1nki s VAL 12 CO 0.42 0.16 1.18 0.00 -0.31 0.00 0.00 175.10 176.55 1nki h ALA 13 N 6.50 0.24 -3.12 1.32 0.00 -1.81 0.16 119.26 122.55 1nki h ALA 13 Ca -0.33 -0.92 -0.62 0.00 0.00 0.00 0.00 54.91 53.03 1nki h ALA 13 Cb 1.17 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.50 1nki h ALA 13 CO 0.49 1.13 -0.66 0.34 0.00 0.00 0.00 179.25 180.55 1nki s ASP 14 N -6.90 4.09 0.18 0.00 -1.08 -1.26 -4.71 116.67 106.99 1nki s ASP 14 Ca -0.02 -3.17 -0.13 0.00 -0.52 0.00 0.00 52.55 48.71 1nki s ASP 14 Cb 0.08 -1.40 0.13 0.00 -1.46 0.00 0.00 42.92 40.28 1nki s ASP 14 CO 0.85 -0.19 1.80 0.25 0.52 0.00 0.00 175.17 178.40 1nki h LEU 15 N 6.17 0.46 -0.59 -1.34 5.85 -1.97 -1.24 115.31 122.65 1nki h LEU 15 Ca 0.03 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1nki h LEU 15 Cb 0.86 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1nki h LEU 15 CO 0.62 0.32 0.25 -0.65 -0.34 0.00 0.00 178.44 178.64 1nki h PRO 16 N 0.59 0.45 -0.78 5.25 0.11 -1.99 -0.01 132.00 135.61 1nki h PRO 16 Ca 0.23 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1nki h PRO 16 Cb 0.08 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1nki h PRO 16 CO -0.13 0.30 0.38 0.00 -0.21 0.00 0.00 178.00 178.34 1nki h ALA 17 N 1.38 1.00 -0.38 -0.75 0.00 -1.88 -1.39 119.26 117.23 1nki h ALA 17 Ca 0.29 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1nki h ALA 17 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nki h ALA 17 CO -0.26 0.55 -0.34 0.77 0.00 0.00 0.00 179.25 179.98 1nki h SER 18 N 1.09 0.96 -0.36 0.00 0.02 -0.78 -1.35 113.55 113.12 1nki h SER 18 Ca 0.27 -0.46 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1nki h SER 18 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1nki h SER 18 CO -0.04 1.21 0.21 0.40 -1.14 0.00 0.00 176.83 177.48 1nki h ILE 19 N 0.72 1.04 -0.75 3.27 2.04 -0.86 -1.07 117.51 121.90 1nki h ILE 19 Ca 0.07 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1nki h ILE 19 Cb 0.93 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1nki h ILE 19 CO 0.09 0.08 0.49 0.00 0.00 0.00 0.00 178.15 178.80 1nki h ALA 20 N 1.16 0.96 0.41 1.87 0.00 -1.07 0.13 119.26 122.72 1nki h ALA 20 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nki h ALA 20 Cb -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1nki h ALA 20 CO -0.06 0.32 -0.20 0.35 0.00 0.00 0.00 179.25 179.66 1nki h PHE 21 N 0.97 -0.51 -0.38 0.00 3.57 -0.88 0.24 116.94 119.96 1nki h PHE 21 Ca 0.29 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1nki h PHE 21 Cb -0.05 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1nki h PHE 21 CO -0.03 -0.26 -0.35 1.88 -2.23 0.00 0.00 178.31 177.33 1nki h TYR 22 N -0.65 1.03 0.14 0.41 -1.99 -1.04 -1.17 116.97 113.71 1nki h TYR 22 Ca -0.06 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.38 1nki h TYR 22 Cb 0.48 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1nki h TYR 22 CO -0.02 1.09 -0.07 -0.09 -0.00 0.00 0.00 178.16 179.07 1nki h ARG 23 N 0.73 -0.19 0.09 4.88 2.43 -0.81 -0.60 114.38 120.92 1nki h ARG 23 Ca 0.07 0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.98 1nki h ARG 23 Cb 0.92 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1nki h ARG 23 CO 0.08 -0.12 -1.35 -0.44 -1.51 0.00 0.00 179.97 176.63 1nki h ASP 24 N -0.81 0.31 0.09 -3.80 3.32 -1.08 -1.89 116.42 112.56 1nki h ASP 24 Ca -0.02 -0.38 -0.30 0.00 0.02 0.00 0.00 57.03 56.35 1nki h ASP 24 Cb 0.15 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1nki h ASP 24 CO 0.03 1.31 -1.58 0.25 -1.72 0.00 0.00 179.24 177.53 1nki h LEU 25 N 0.05 0.29 -0.15 1.55 5.85 -1.14 -3.40 115.31 118.37 1nki h LEU 25 Ca -0.17 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.75 1nki h LEU 25 Cb 1.96 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1nki h LEU 25 CO 0.17 1.67 -0.68 0.18 -0.34 0.00 0.00 178.44 179.44 1nki n LEU 26 N -3.90 0.92 0.00 2.25 4.77 -0.51 -4.99 117.00 115.54 1nki n LEU 26 Ca -0.29 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1nki n LEU 26 Cb 0.90 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1nki n LEU 26 CO 0.36 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1nki n GLY 27 N 1.48 0.64 3.75 -0.72 0.00 -0.71 -4.96 105.19 104.66 1nki n GLY 27 Ca 0.06 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 2.29 -0.15 1.61 0.40 -0.29 -4.93 117.98 114.91 1nki s PHE 28 Ca 0.00 1.48 -0.19 0.00 -0.60 0.00 0.00 56.93 57.61 1nki s PHE 28 Cb 0.00 -3.61 -0.04 0.00 0.51 0.00 0.00 43.02 39.88 1nki s PHE 28 CO 0.00 -2.55 0.55 0.50 0.70 0.00 0.00 175.22 174.42 1nki s ARG 29 N -3.23 4.29 -0.32 0.44 3.52 -0.24 -4.30 118.95 119.11 1nki s ARG 29 Ca 0.77 0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 56.61 1nki s ARG 29 Cb -0.35 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1nki s ARG 29 CO 0.38 -0.01 1.14 -1.17 -0.81 0.00 0.00 175.30 174.83 1nki s LEU 30 N 1.16 3.90 -0.17 -0.88 2.96 -1.26 -1.08 118.68 123.31 1nki s LEU 30 Ca 0.27 1.05 0.11 0.00 -0.22 0.00 0.00 54.13 55.35 1nki s LEU 30 Cb -0.16 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 1nki s LEU 30 CO 0.11 -0.96 0.17 -0.62 -1.32 0.00 0.00 176.35 173.73 1nki n GLU 31 N 7.05 0.68 -3.56 1.98 -0.58 0.05 -5.00 120.64 121.27 1nki n GLU 31 Ca 0.13 0.11 -0.17 0.00 -0.42 0.00 0.00 57.16 56.81 1nki n GLU 31 Cb 0.47 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 29.68 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 -2.53 -1.66 -0.00 0.62 0.00 -1.03 -4.98 121.76 112.18 1nki s ALA 32 Ca -0.15 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1nki s ALA 32 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1nki s ALA 32 CO 0.78 -0.35 -0.01 0.50 0.00 0.00 0.00 175.76 176.68 1nki s ARG 33 N -1.03 0.06 0.32 0.00 3.52 -1.26 -0.82 118.95 119.74 1nki s ARG 33 Ca -0.10 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 1nki s ARG 33 Cb -0.01 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1nki s ARG 33 CO 0.08 0.01 0.36 -2.67 -0.81 0.00 0.00 175.30 172.27 1nki n TRP 34 N 3.12 -1.06 0.27 5.12 2.14 -0.32 -4.99 117.44 121.71 1nki n TRP 34 Ca -0.13 -2.46 0.14 0.00 2.07 0.00 0.00 57.50 57.12 1nki n TRP 34 Cb 0.59 0.39 0.77 0.00 -0.81 0.00 0.00 31.31 32.26 1nki n TRP 34 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1nki h ASP 35 N 1.91 0.00 -0.10 -0.67 3.32 -2.03 -2.83 116.42 116.03 1nki h ASP 35 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1nki h ASP 35 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1nki h ASP 35 CO 0.34 0.10 0.00 1.67 -1.72 0.00 0.00 179.24 179.62 1nki n GLN 36 N -3.57 2.89 -3.02 3.56 -0.06 -1.26 -4.97 117.38 110.95 1nki n GLN 36 Ca -0.02 -1.72 0.00 0.00 -2.00 0.00 0.00 57.00 53.26 1nki n GLN 36 Cb 0.22 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.29 1nki n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nki n GLY 37 N -0.28 -1.22 3.38 1.69 0.00 -1.07 -1.14 105.19 106.56 1nki n GLY 37 Ca 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.20 -1.28 -0.12 4.61 0.00 -0.49 -1.18 121.76 122.11 1nki s ALA 38 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1nki s ALA 38 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1nki s ALA 38 CO 0.00 -0.38 -0.16 0.71 0.00 0.00 0.00 175.76 175.93 1nki s TYR 39 N -1.69 2.74 0.18 0.00 4.12 -0.00 -0.89 117.35 121.81 1nki s TYR 39 Ca -0.10 -0.75 0.05 0.00 0.02 0.00 0.00 57.07 56.29 1nki s TYR 39 Cb -0.02 -1.80 -0.05 0.00 -1.52 0.00 0.00 41.96 38.57 1nki s TYR 39 CO 0.04 -0.26 -0.08 -0.51 0.02 0.00 0.00 175.55 174.76 1nki s LEU 40 N 0.33 2.45 -0.00 -1.29 1.02 0.32 -0.77 118.68 120.73 1nki s LEU 40 Ca -0.13 -1.07 0.01 0.00 0.02 0.00 0.00 54.13 52.96 1nki s LEU 40 Cb -0.16 -0.38 -0.00 0.00 0.02 0.00 0.00 46.19 45.66 1nki s LEU 40 CO 0.07 -0.35 -0.03 -0.70 0.02 0.00 0.00 176.35 175.35 1nki s GLU 41 N -3.76 0.23 -0.22 1.70 2.12 -0.24 -0.89 118.70 117.63 1nki s GLU 41 Ca 0.21 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.40 1nki s GLU 41 Cb 0.03 -0.22 0.07 0.00 0.26 0.00 0.00 34.13 34.27 1nki s GLU 41 CO 0.04 0.06 0.07 -1.17 -0.54 0.00 0.00 175.26 173.72 1nki s LEU 42 N -0.07 1.12 0.00 2.70 2.96 -0.43 -1.08 118.68 123.89 1nki s LEU 42 Ca 0.01 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 1nki s LEU 42 Cb -0.01 -0.55 0.00 0.00 0.50 0.00 0.00 46.19 46.13 1nki s LEU 42 CO -0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 1nki n GLY 43 N 5.08 3.88 0.13 7.98 0.00 -1.26 -0.68 105.19 120.33 1nki n GLY 43 Ca -0.07 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1nki n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nki n SER 44 N 6.73 0.73 -4.68 1.61 3.41 -1.26 -4.90 113.62 115.26 1nki n SER 44 Ca 0.00 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 1nki n SER 44 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1nki n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1nki s LEU 45 N -2.71 4.24 -0.34 1.04 2.96 0.15 -5.01 118.68 119.02 1nki s LEU 45 Ca 0.19 1.69 -0.17 0.00 -0.22 0.00 0.00 54.13 55.62 1nki s LEU 45 Cb 0.19 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 1nki s LEU 45 CO 0.58 -0.57 0.48 0.86 -1.32 0.00 0.00 176.35 176.38 1nki s TRP 46 N 2.38 3.20 -0.16 5.38 -0.00 -1.26 -1.31 118.94 127.16 1nki s TRP 46 Ca 0.53 0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 56.78 1nki s TRP 46 Cb -0.22 -2.85 -0.03 0.00 -0.00 0.00 0.00 33.47 30.37 1nki s TRP 46 CO 0.19 -0.48 -0.00 -1.17 -0.00 0.00 0.00 176.95 175.48 1nki s LEU 47 N 2.31 3.46 -0.08 5.86 2.96 -0.07 -1.40 118.68 131.72 1nki s LEU 47 Ca 0.18 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1nki s LEU 47 Cb -0.16 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1nki s LEU 47 CO 0.12 0.18 -0.16 0.00 -1.32 0.00 0.00 176.35 175.17 1nki s LEU 49 N -0.19 3.43 -0.24 0.00 1.43 -0.07 -0.86 118.68 122.18 1nki s LEU 49 Ca -0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1nki s LEU 49 Cb -0.13 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1nki s LEU 49 CO 0.03 0.09 -0.10 -0.55 0.23 0.00 0.00 176.35 176.05 1nki s SER 50 N 0.86 4.17 0.19 2.29 0.15 -0.19 -1.39 113.70 119.78 1nki s SER 50 Ca 0.02 -1.04 -0.32 0.00 0.70 0.00 0.00 55.95 55.31 1nki s SER 50 Cb -0.14 -1.59 -0.11 0.00 -1.71 0.00 0.00 66.02 62.47 1nki s SER 50 CO 0.02 -0.13 1.68 -0.60 1.20 0.00 0.00 173.24 175.40 1nki s ARG 51 N 1.23 4.15 -0.35 5.44 3.52 -0.29 -1.18 118.95 131.47 1nki s ARG 51 Ca -0.02 2.53 -0.01 0.00 -0.13 0.00 0.00 55.73 58.10 1nki s ARG 51 Cb -0.17 -3.12 0.13 0.00 -1.56 0.00 0.00 34.95 30.23 1nki s ARG 51 CO -0.06 -0.71 0.19 -2.00 -0.81 0.00 0.00 175.30 171.90 1nki s GLU 52 N 1.22 0.61 0.14 5.12 2.56 0.56 -4.85 118.70 124.06 1nki s GLU 52 Ca 0.73 -1.24 -0.34 0.00 0.00 0.00 0.00 54.97 54.12 1nki s GLU 52 Cb -0.48 -1.51 -0.17 0.00 2.00 0.00 0.00 34.13 33.97 1nki s GLU 52 CO 0.32 -1.14 1.12 -2.30 -0.56 0.00 0.00 175.26 172.70 1nki n PRO 53 N 4.30 0.90 -1.14 4.30 -0.02 -1.26 -1.66 135.00 140.42 1nki n PRO 53 Ca 0.06 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1nki n PRO 53 Cb 0.38 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1nki n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nki n GLN 54 N 1.77 -1.53 -1.76 -0.52 3.00 -1.26 -4.93 117.38 112.15 1nki n GLN 54 Ca 0.16 0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 57.34 1nki n GLN 54 Cb 0.21 -4.83 -0.02 0.00 0.00 0.00 0.00 30.24 25.60 1nki n GLN 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1nki s TYR 55 N -1.57 2.78 -1.34 1.08 5.04 -0.67 -4.91 117.35 117.76 1nki s TYR 55 Ca 0.00 0.67 0.14 0.00 -2.44 0.00 0.00 57.07 55.44 1nki s TYR 55 Cb 0.00 -4.09 0.32 0.00 0.35 0.00 0.00 41.96 38.53 1nki s TYR 55 CO 0.00 -3.79 1.23 0.41 -1.34 0.00 0.00 175.55 172.05 1nki n GLY 56 N 2.59 1.98 0.00 8.97 0.00 -1.26 -4.60 105.19 112.87 1nki n GLY 56 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.80 0.38 3.81 -0.02 0.00 -1.25 -4.90 105.19 104.01 1nki n GLY 57 Ca 0.13 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.04 2.56 0.93 1.61 0.04 -1.26 -5.06 135.00 131.78 1nki s PRO 58 Ca 0.00 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.69 1nki s PRO 58 Cb 0.00 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1nki s PRO 58 CO 0.00 -1.33 1.28 0.00 0.04 0.00 0.00 177.00 177.00 1nki s ALA 59 N -3.10 2.28 -0.37 8.56 0.00 -1.26 -4.99 121.76 122.89 1nki s ALA 59 Ca 0.59 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.25 1nki s ALA 59 Cb -0.14 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1nki s ALA 59 CO 0.55 -2.29 0.86 0.00 0.00 0.00 0.00 175.76 174.87 1nki s ALA 60 N -3.79 3.41 0.37 0.00 0.00 -1.26 -4.94 121.76 115.54 1nki s ALA 60 Ca 0.71 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1nki s ALA 60 Cb -0.06 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1nki s ALA 60 CO 0.52 -1.57 0.82 0.16 0.00 0.00 0.00 175.76 175.69 1nki s ASP 61 N 1.88 0.02 0.00 0.00 1.47 -1.26 -5.06 116.67 113.72 1nki s ASP 61 Ca 0.35 -1.12 0.19 0.00 1.18 0.00 0.00 52.55 53.15 1nki s ASP 61 Cb -0.12 0.82 0.59 0.00 -0.34 0.00 0.00 42.92 43.87 1nki s ASP 61 CO 0.18 -1.63 1.46 0.00 0.68 0.00 0.00 175.17 175.86 1nki n TYR 62 N -0.56 0.35 -1.83 2.11 9.36 -1.26 -4.91 117.16 120.42 1nki n TYR 62 Ca -0.08 -0.17 -0.42 0.00 3.32 0.00 0.00 57.90 60.55 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 -1.65 2.35 0.21 2.97 2.01 -1.26 -4.95 115.64 115.30 1nki s THR 63 Ca 0.32 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1nki s THR 63 Cb 0.17 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.58 1nki s THR 63 CO 0.25 0.02 0.75 -1.38 -0.69 0.00 0.00 174.62 173.56 1nki s HIS 64 N 1.26 -0.27 -0.14 4.92 -3.43 -1.26 -4.53 115.29 111.83 1nki s HIS 64 Ca 0.73 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1nki s HIS 64 Cb -0.47 0.65 0.02 0.00 -1.43 0.00 0.00 32.58 31.36 1nki s HIS 64 CO 0.32 -1.02 -0.12 0.71 -2.00 0.00 0.00 174.74 172.62 1nki s TYR 65 N -3.70 1.94 -0.12 0.38 1.51 -0.33 -5.01 117.35 112.02 1nki s TYR 65 Ca 0.08 -1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 55.07 1nki s TYR 65 Cb -0.04 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1nki s TYR 65 CO 0.00 -0.61 -0.05 0.00 -1.11 0.00 0.00 175.55 173.78 1nki s ALA 66 N 1.53 2.98 0.01 3.71 0.00 -1.26 -1.47 121.76 127.25 1nki s ALA 66 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1nki s ALA 66 Cb -0.13 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1nki s ALA 66 CO -0.09 0.36 0.08 -0.06 0.00 0.00 0.00 175.76 176.04 1nki s PHE 67 N -0.10 3.27 0.51 0.00 0.40 0.72 -4.95 117.98 117.83 1nki s PHE 67 Ca 0.02 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.42 1nki s PHE 67 Cb -0.13 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.62 1nki s PHE 67 CO 0.03 0.54 0.91 0.20 0.70 0.00 0.00 175.22 177.60 1nki s GLY 68 N -1.83 1.81 -0.06 4.36 0.00 -1.26 -0.83 107.32 109.52 1nki s GLY 68 Ca 0.24 -0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.62 1nki s GLY 68 CO 0.15 0.12 0.51 -1.50 0.00 0.00 0.00 173.10 172.37 1nki s ILE 69 N -2.75 0.02 0.48 0.90 2.07 -0.93 -4.77 121.20 116.23 1nki s ILE 69 Ca 0.54 -0.20 -0.21 0.00 -1.41 0.00 0.00 60.65 59.37 1nki s ILE 69 Cb -0.10 -0.80 -0.08 0.00 0.13 0.00 0.00 42.46 41.60 1nki s ILE 69 CO 0.40 -0.11 1.08 0.00 -1.91 0.00 0.00 174.94 174.41 1nki s ALA 70 N -1.03 2.88 0.24 1.50 0.00 -1.26 -4.19 121.76 119.91 1nki s ALA 70 Ca -0.10 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 1nki s ALA 70 Cb -0.03 -3.30 0.45 0.00 0.00 0.00 0.00 23.12 20.25 1nki s ALA 70 CO 0.06 -0.45 1.74 0.00 0.00 0.00 0.00 175.76 177.11 1nki h ALA 71 N 1.72 1.07 0.00 0.00 0.00 -1.97 -0.70 119.26 119.37 1nki h ALA 71 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1nki h ALA 71 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nki h ALA 71 CO 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1nki h ALA 72 N 1.54 1.00 0.00 0.00 0.00 -2.06 -2.78 119.26 116.96 1nki h ALA 72 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nki h ALA 72 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nki h ALA 72 CO -0.39 0.00 -0.96 -0.25 0.00 0.00 0.00 179.25 177.66 1nki n ASP 73 N -2.37 0.83 0.16 0.00 8.00 -0.30 -4.70 116.55 118.17 1nki n ASP 73 Ca 0.01 -0.81 -0.14 0.00 0.71 0.00 0.00 54.79 54.56 1nki n ASP 73 Cb 0.18 1.10 -0.07 0.00 -0.02 0.00 0.00 41.12 42.32 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 -0.67 -0.58 1.24 3.57 -1.18 -1.55 116.94 117.77 1nki h PHE 74 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1nki h PHE 74 Cb 0.47 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1nki h PHE 74 CO 0.00 -0.37 0.26 0.00 -2.23 0.00 0.00 178.31 175.97 1nki h ALA 75 N 0.15 0.76 -0.09 2.41 0.00 -1.84 -0.98 119.26 119.67 1nki h ALA 75 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1nki h ALA 75 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nki h ALA 75 CO -0.07 0.34 -0.43 0.07 0.00 0.00 0.00 179.25 179.16 1nki h ARG 76 N 0.80 0.21 0.07 0.00 0.11 -1.83 -0.82 114.38 112.92 1nki h ARG 76 Ca 0.20 -0.10 -0.00 0.00 0.10 0.00 0.00 59.98 60.17 1nki h ARG 76 Cb 0.16 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1nki h ARG 76 CO -0.02 0.61 -0.03 0.35 0.10 0.00 0.00 179.97 180.97 1nki h PHE 77 N 0.17 -0.09 -0.48 4.08 3.57 -0.80 -0.71 116.94 122.69 1nki h PHE 77 Ca 0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1nki h PHE 77 Cb 0.84 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1nki h PHE 77 CO 0.01 0.18 0.24 0.00 -2.23 0.00 0.00 178.31 176.51 1nki h ALA 78 N 0.54 0.61 -0.74 2.41 0.00 -1.06 -1.41 119.26 119.62 1nki h ALA 78 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nki h ALA 78 Cb 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nki h ALA 78 CO 0.02 -0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.56 1nki h ALA 79 N 1.26 0.95 -0.06 0.00 0.00 -1.10 -0.71 119.26 119.60 1nki h ALA 79 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nki h ALA 79 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nki h ALA 79 CO -0.15 0.45 0.03 0.37 0.00 0.00 0.00 179.25 179.95 1nki h GLN 80 N 1.02 0.08 -0.14 0.00 4.15 -0.52 -0.99 115.11 118.71 1nki h GLN 80 Ca 0.26 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.54 1nki h GLN 80 Cb 0.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1nki h GLN 80 CO -0.04 0.15 -0.49 -0.07 -1.93 0.00 0.00 178.83 176.45 1nki h LEU 81 N -0.01 0.38 -0.63 -2.39 4.07 -1.15 -1.64 115.31 113.94 1nki h LEU 81 Ca 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.79 1nki h LEU 81 Cb 0.09 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1nki h LEU 81 CO -0.00 0.81 0.37 0.03 -1.08 0.00 0.00 178.44 178.57 1nki h ARG 82 N 0.28 0.86 -0.14 1.13 3.08 -1.00 -1.87 114.38 116.73 1nki h ARG 82 Ca 0.01 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1nki h ARG 82 Cb 0.97 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1nki h ARG 82 CO 0.08 0.62 -0.08 0.00 -1.07 0.00 0.00 179.97 179.52 1nki h ALA 83 N 1.19 1.61 -0.00 0.04 0.00 -0.83 -1.81 119.26 119.46 1nki h ALA 83 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nki h ALA 83 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nki h ALA 83 CO -0.04 0.29 -0.04 1.58 0.00 0.00 0.00 179.25 181.04 1nki n HIS 84 N -4.33 0.00 -0.55 0.00 -0.00 -0.65 -4.92 115.22 104.77 1nki n HIS 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1nki n HIS 84 Cb 0.22 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.91 1nki n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nki n GLY 85 N 1.33 0.67 3.77 1.57 0.00 -0.68 -5.05 105.19 106.79 1nki n GLY 85 Ca 0.13 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 2.64 0.00 1.61 1.01 -0.75 -4.99 120.40 117.93 1nki s VAL 86 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1nki s VAL 86 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1nki s VAL 86 CO 0.00 0.12 0.55 -0.60 0.00 0.00 0.00 175.10 175.17 1nki s ARG 87 N -2.05 4.24 0.15 2.72 3.52 -1.26 -4.70 118.95 121.57 1nki s ARG 87 Ca 0.53 0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 56.75 1nki s ARG 87 Cb -0.39 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 1nki s ARG 87 CO 0.51 0.46 0.37 -1.21 -0.81 0.00 0.00 175.30 174.63 1nki s GLU 88 N -0.47 3.60 0.00 5.12 2.02 -1.26 -1.14 118.70 126.56 1nki s GLU 88 Ca 0.29 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1nki s GLU 88 Cb -0.18 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1nki s GLU 88 CO 0.16 0.46 0.29 -2.67 0.02 0.00 0.00 175.26 173.52 1nki n TRP 89 N -0.03 0.00 -3.63 1.61 4.27 -0.69 -4.90 117.44 114.07 1nki n TRP 89 Ca -0.03 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.46 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 -0.40 0.71 -0.13 -2.67 2.20 -1.26 -5.05 119.74 113.14 1nki s LYS 90 Ca 0.00 0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 56.21 1nki s LYS 90 Cb 0.00 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1nki s LYS 90 CO 0.00 -0.10 0.43 -1.14 -0.36 0.00 0.00 175.35 174.18 1nki s GLN 91 N 0.18 4.31 0.31 4.03 0.74 -1.26 -4.19 119.66 123.78 1nki s GLN 91 Ca 0.01 0.36 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1nki s GLN 91 Cb -0.05 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.52 1nki s GLN 91 CO -0.01 0.19 1.54 -1.71 -0.55 0.00 0.00 175.29 174.75 1nki n ASN 92 N 3.61 3.70 0.00 6.67 5.15 -1.26 -4.91 115.26 128.22 1nki n ASN 92 Ca -0.08 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1nki n ASN 92 Cb 0.52 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 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 1.71 2.63 -2.53 1.20 1.74 -1.26 -5.06 116.66 115.09 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 -0.70 0.04 0.00 -1.02 0.00 0.00 32.46 31.15 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 -1.29 5.26 0.40 0.55 1.04 -1.26 -5.01 113.70 113.39 1nki s SER 94 Ca 0.00 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 1nki s SER 94 Cb 0.00 -1.13 -0.11 0.00 0.10 0.00 0.00 66.02 64.88 1nki s SER 94 CO 0.00 -1.20 1.11 1.21 0.98 0.00 0.00 173.24 175.34 1nki n GLU 95 N -2.50 1.59 0.00 4.02 0.00 -1.26 -4.71 120.64 117.77 1nki n GLU 95 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.79 1nki n GLU 95 Cb 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 31.44 29.89 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 1.04 -2.50 3.63 8.31 0.00 -1.26 -4.92 105.19 109.49 1nki n GLY 96 Ca 0.08 -1.16 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.76 1.98 -3.78 1.61 8.00 -1.25 -4.74 116.55 117.61 1nki n ASP 97 Ca 0.00 1.17 -0.13 0.00 0.71 0.00 0.00 54.79 56.54 1nki n ASP 97 Cb 0.00 -1.35 -0.11 0.00 -0.02 0.00 0.00 41.12 39.64 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 -0.21 -0.26 -0.16 -2.24 0.01 -1.26 -0.69 113.70 108.89 1nki s SER 98 Ca 0.62 0.45 0.01 0.00 1.31 0.00 0.00 55.95 58.34 1nki s SER 98 Cb -0.68 0.52 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1nki s SER 98 CO 0.57 -0.17 -0.16 0.12 0.41 0.00 0.00 173.24 174.01 1nki s PHE 99 N -0.17 2.36 -0.31 2.43 5.36 -0.34 -4.44 117.98 122.86 1nki s PHE 99 Ca -0.03 -1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 54.55 1nki s PHE 99 Cb -0.03 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 1nki s PHE 99 CO 0.01 -0.70 0.06 0.71 -1.46 0.00 0.00 175.22 173.84 1nki s TYR 100 N 1.38 3.21 0.08 10.12 1.51 -1.26 -0.76 117.35 131.63 1nki s TYR 100 Ca 0.04 -1.44 0.01 0.00 -1.01 0.00 0.00 57.07 54.68 1nki s TYR 100 Cb -0.13 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1nki s TYR 100 CO -0.11 -0.71 -0.06 -0.59 -1.11 0.00 0.00 175.55 172.97 1nki s PHE 101 N 1.38 0.77 -0.03 2.71 -0.12 -0.41 -1.71 117.98 120.57 1nki s PHE 101 Ca -0.01 -0.88 -0.03 0.00 -0.05 0.00 0.00 56.93 55.96 1nki s PHE 101 Cb -0.19 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1nki s PHE 101 CO 0.01 -0.19 0.14 -0.51 -0.05 0.00 0.00 175.22 174.63 1nki s LEU 102 N -2.76 4.23 0.88 -1.99 1.43 -0.29 -0.54 118.68 119.63 1nki s LEU 102 Ca 0.07 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1nki s LEU 102 Cb 0.03 -2.41 0.18 0.00 0.03 0.00 0.00 46.19 44.02 1nki s LEU 102 CO -0.05 0.29 1.21 1.51 0.23 0.00 0.00 176.35 179.54 1nki s ASP 103 N -1.70 3.50 0.60 2.29 -4.77 -0.45 -4.63 116.67 111.50 1nki s ASP 103 Ca 0.24 -0.03 0.31 0.00 -3.30 0.00 0.00 52.55 49.77 1nki s ASP 103 Cb -0.12 -0.10 1.90 0.00 -1.09 0.00 0.00 42.92 43.51 1nki s ASP 103 CO 0.14 -2.46 2.27 -0.65 0.70 0.00 0.00 175.17 175.17 1nki h PRO 104 N -1.25 0.00 0.00 2.11 0.11 -1.92 -0.80 132.00 130.26 1nki h PRO 104 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.37 0.00 -0.73 -0.25 -0.21 0.00 0.00 178.00 177.18 1nki n ASP 105 N -3.76 0.62 0.00 -2.05 8.00 -1.26 -4.96 116.55 113.14 1nki n ASP 105 Ca -0.03 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1nki n ASP 105 Cb 0.09 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1nki n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nki n GLY 106 N 1.43 0.90 3.77 0.44 0.00 -0.30 -3.80 105.19 107.63 1nki n GLY 106 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.19 2.95 -3.23 1.61 8.25 -1.26 -4.60 115.22 116.75 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 -2.53 -0.07 0.00 1.12 0.00 0.00 29.99 28.51 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 -2.05 4.14 0.35 -0.41 0.52 -1.26 -1.34 118.95 118.89 1nki s ARG 108 Ca 0.54 0.40 0.09 0.00 -0.52 0.00 0.00 55.73 56.23 1nki s ARG 108 Cb -0.48 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.32 1nki s ARG 108 CO 0.63 -0.25 -0.04 -0.51 0.02 0.00 0.00 175.30 175.16 1nki s LEU 109 N 1.96 2.85 -0.11 2.53 1.43 0.30 -1.19 118.68 126.45 1nki s LEU 109 Ca 0.23 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 1nki s LEU 109 Cb -0.15 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 44.97 1nki s LEU 109 CO 0.09 -0.24 0.35 -0.70 0.23 0.00 0.00 176.35 176.07 1nki s GLU 110 N -3.66 0.47 -0.20 1.70 2.12 -0.54 -1.28 118.70 117.30 1nki s GLU 110 Ca 0.34 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.97 1nki s GLU 110 Cb 0.02 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 1nki s GLU 110 CO 0.18 -0.08 -0.03 0.00 -0.54 0.00 0.00 175.26 174.78 1nki s ALA 111 N -0.14 2.89 -0.02 6.30 0.00 0.06 -0.20 121.76 130.65 1nki s ALA 111 Ca -0.03 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1nki s ALA 111 Cb -0.03 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1nki s ALA 111 CO 0.01 -0.18 -0.10 -1.58 0.00 0.00 0.00 175.76 173.91 1nki s HIS 112 N 1.06 0.97 -0.28 0.00 5.04 -0.01 -1.20 115.29 120.88 1nki s HIS 112 Ca 0.01 -0.22 -0.12 0.00 -1.54 0.00 0.00 55.06 53.18 1nki s HIS 112 Cb -0.15 -0.67 -0.05 0.00 0.04 0.00 0.00 32.58 31.76 1nki s HIS 112 CO 0.00 -0.07 0.26 0.08 -2.34 0.00 0.00 174.74 172.67 1nki s VAL 113 N 0.04 5.26 -1.25 0.89 1.01 0.13 -2.19 120.40 124.29 1nki s VAL 113 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1nki s VAL 113 Cb -0.07 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1nki s VAL 113 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1nki n GLY 114 N 4.91 0.91 1.90 4.51 0.00 -1.26 -3.94 105.19 112.21 1nki n GLY 114 Ca -0.12 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.59 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 0.75 -0.83 -0.27 1.61 3.85 -1.26 -4.97 116.55 115.43 1nki n ASP 115 Ca 0.00 -2.03 -0.06 0.00 -0.71 0.00 0.00 54.79 52.00 1nki n ASP 115 Cb 0.00 1.52 0.08 0.00 -1.35 0.00 0.00 41.12 41.36 1nki n ASP 115 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1nki h LEU 116 N 0.00 1.07 -0.53 -2.12 5.85 -2.01 -1.72 115.31 115.85 1nki h LEU 116 Ca -0.16 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1nki h LEU 116 Cb 0.66 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1nki h LEU 116 CO 0.21 0.96 -0.01 0.03 -0.34 0.00 0.00 178.44 179.30 1nki h ARG 117 N 1.11 0.95 -0.46 1.25 2.47 -1.99 -0.02 114.38 117.69 1nki h ARG 117 Ca 0.25 -0.31 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1nki h ARG 117 Cb 0.25 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1nki h ARG 117 CO -0.02 0.96 -0.03 0.66 0.56 0.00 0.00 179.97 182.11 1nki h SER 118 N 0.82 0.75 -0.01 7.04 4.64 -1.90 -1.04 113.55 123.85 1nki h SER 118 Ca 0.15 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nki h SER 118 Cb 0.54 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1nki h SER 118 CO 0.03 0.84 0.00 -0.09 -0.87 0.00 0.00 176.83 176.74 1nki h ARG 119 N 0.72 0.02 -0.84 4.77 9.65 -1.02 -1.95 114.38 125.72 1nki h ARG 119 Ca 0.14 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1nki h ARG 119 Cb 0.48 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 1nki h ARG 119 CO 0.02 0.21 0.51 -0.07 2.80 0.00 0.00 179.97 183.44 1nki h LEU 120 N -0.17 1.02 -0.51 3.80 3.38 -0.74 0.10 115.31 122.19 1nki h LEU 120 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nki h LEU 120 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1nki h LEU 120 CO -0.00 0.79 0.27 0.00 0.09 0.00 0.00 178.44 179.59 1nki h ALA 121 N 1.27 0.65 -0.56 1.53 0.00 -1.11 -0.52 119.26 120.53 1nki h ALA 121 Ca 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1nki h ALA 121 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1nki h ALA 121 CO -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.36 1nki h ALA 122 N 1.11 0.92 -0.08 0.00 0.00 -0.95 -2.92 119.26 117.33 1nki h ALA 122 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1nki h ALA 122 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nki h ALA 122 CO -0.03 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1nki h ARG 124 N 0.14 0.15 0.00 0.00 3.08 -0.91 -1.39 114.38 115.45 1nki h ARG 124 Ca 0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1nki h ARG 124 Cb 0.72 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1nki h ARG 124 CO 0.05 0.39 -0.42 1.96 -1.07 0.00 0.00 179.97 180.88 1nki h GLN 125 N 0.14 0.00 -1.37 0.04 1.08 -1.33 -3.41 115.11 110.26 1nki h GLN 125 Ca 0.02 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.84 1nki h GLN 125 Cb 0.51 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.67 1nki h GLN 125 CO 0.04 0.34 -0.77 0.00 -0.95 0.00 0.00 178.83 177.48 1nki n ALA 126 N -2.20 0.52 -1.78 3.87 0.00 -0.57 -5.12 120.51 115.23 1nki n ALA 126 Ca 0.02 -2.23 -0.38 0.00 0.00 0.00 0.00 53.44 50.85 1nki n ALA 126 Cb 0.68 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1nki n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nki s PRO 127 N 0.12 4.42 1.02 0.00 0.04 -0.57 -4.51 135.00 135.52 1nki s PRO 127 Ca 0.32 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1nki s PRO 127 Cb 0.11 -2.78 0.21 0.00 0.04 0.00 0.00 34.50 32.07 1nki s PRO 127 CO -0.15 0.08 1.09 0.71 0.04 0.00 0.00 177.00 178.78 1nki s TYR 128 N -1.52 1.50 0.11 0.56 4.12 -1.26 -4.92 117.35 115.93 1nki s TYR 128 Ca 0.52 1.53 -0.32 0.00 0.02 0.00 0.00 57.07 58.82 1nki s TYR 128 Cb -0.23 -3.23 -0.12 0.00 -1.52 0.00 0.00 41.96 36.86 1nki s TYR 128 CO 0.29 -3.28 1.78 0.00 0.02 0.00 0.00 175.55 174.36 1nki n ALA 129 N -4.54 1.90 -1.55 3.71 0.00 -1.26 -2.38 120.51 116.39 1nki n ALA 129 Ca 0.08 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1nki n ALA 129 Cb 0.53 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 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 4.07 1.19 3.75 0.00 0.00 -1.26 -4.97 105.19 107.97 1nki n GLY 130 Ca 0.18 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.44 4.55 0.00 1.61 0.00 -1.00 -5.03 119.30 116.00 1nki s MET 131 Ca 0.00 1.88 0.02 0.00 0.00 0.00 0.00 55.69 57.59 1nki s MET 131 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 34.83 31.63 1nki s MET 131 CO 0.00 0.05 -0.08 1.03 0.00 0.00 0.00 175.02 176.02 1nki s ARG 132 N -1.00 0.63 0.12 4.11 1.81 -1.26 -5.00 118.95 118.35 1nki s ARG 132 Ca 0.48 -0.34 0.09 0.00 -1.72 0.00 0.00 55.73 54.24 1nki s ARG 132 Cb -0.33 -0.59 -0.04 0.00 -0.45 0.00 0.00 34.95 33.54 1nki s ARG 132 CO 0.41 0.16 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.95 1nki s PHE 133 N -0.32 2.55 0.00 -0.53 0.40 -1.26 -5.20 117.98 113.63 1nki s PHE 133 Ca 0.02 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1nki s PHE 133 Cb -0.04 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.14 1nki s PHE 133 CO -0.00 0.39 0.00 0.00 0.70 0.00 0.00 175.22 176.31